A0A087XHJ6_POEFO Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A087XHJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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	33.6	Very low	30.5	Very low	249 Å²	249	151.2 Å²	151.2	100%	1.227	81%	0.814	S	S	*	*				0	147.6	0	-78.6	172.4	168.1	0	0	108.8
2	M	24.3	Very low	30.4	Very low	180 Å²	180	153.5 Å²	153.5	89%	0.887	82%	0.815	S	S	*	*			trans	-147.2	160.6	173.3	-92.3	-85.2	-174.2	0	0	105
3	P	50.1	Low	30.7	Very low	99 Å²	99	152.2 Å²	152.2	64%	0.643	82%	0.821	S	S	*	*			cis	-135.6	-148.9	-11.9	37.2	-16.2	0	0	0	112.2
4	T	27.6	Very low	31	Very low	123 Å²	123	146.2 Å²	146.2	76%	0.755	81%	0.813	S	S	*	*			trans	93.9	141	166.3	73.7	0	0	0	0	118
5	L	30.5	Very low	31.1	Very low	135 Å²	135	149.2 Å²	149.2	71%	0.707	82%	0.818	S	S	*	*			cis	-174.4	141.9	-30.5	-116.3	161.9	0	0	0	109.2
6	R	29.2	Very low	31.6	Very low	209 Å²	209	150.5 Å²	150.5	79%	0.789	82%	0.824	S	S	*	*			trans	62.2	161.1	159.5	-72.6	177	-177.4	173.9	1.3	117.3
7	D	27.6	Very low	32.5	Very low	131 Å²	131	145.8 Å²	145.8	70%	0.701	80%	0.804	S	S	*	*			cis	-158.3	167.5	-14.1	-101.1	-17.6	0	0	0	106.4
8	S	27.5	Very low	34.6	Very low	103 Å²	103	145.6 Å²	145.6	72%	0.72	80%	0.796	S	S	*	*			cis	-153	172.1	4.1	-122.5	0	0	0	0	110.2
9	T	28.8	Very low	37.1	Very low	136 Å²	136	141.9 Å²	141.9	83%	0.834	77%	0.773	S	S	*	*			trans	-82.4	138.7	172.8	38.3	0	0	0	0	112.9
10	M	27.8	Very low	39.5	Very low	188 Å²	188	135 Å²	135	93%	0.926	74%	0.735	S	S	*	*			trans	-89.3	114.5	160.5	-68.1	-161.5	79.6	0	0	109.2
11	S	28.3	Very low	41.7	Very low	110 Å²	110	132 Å²	132	77%	0.769	71%	0.713	S	S	*	*			trans	-80	134.3	169.2	40.1	0	0	0	0	110.7
12	H	29	Very low	44.3	Very low	179 Å²	179	120.3 Å²	120.3	83%	0.829	66%	0.656	S	S	*	*			trans	-74.7	135.3	172.2	-73.9	-82.8	0	0	0	110.4	G14	H12-G14 PolarHBondContact O-N 3.11Å; H12-G14 VanDerWaalsContact O-N 3.15Å
13	P	35.1	Very low	47.4	Very low	137 Å²	137	113.5 Å²	113.5	89%	0.89	62%	0.621	S	S	*	*	S	Bend	trans	-81.3	89.6	169.1	32.1	-30.7	0	0	0	109
14	G	34.2	Very low	49.2	Very low	68 Å²	68	109 Å²	109	70%	0.701	59%	0.592	S	S	*	*			trans	-161.1	15.6	-167.2	0	0	0	0	0	118	H12	H12-G14 PolarHBondContact O-N 3.11Å; H12-G14 VanDerWaalsContact O-N 3.15Å
15	E	33.4	Very low	52.1	Low	191 Å²	191	104.9 Å²	104.9	89%	0.893	56%	0.563	S	S	*	*			trans	-127.3	99	170.6	-72.7	-176.8	155.1	0	0	109.5	S17	E15-S17 PolarHBondContact O-N 3.15Å
16	N	38	Very low	54.8	Low	170 Å²	170	99.5 Å²	99.5	91%	0.909	53%	0.533	S	S	*	.			trans	-73.3	106.3	161.1	-91.1	-11.8	0	0	0	106.9	H18	N16-H18 PolarHBondContact O-N 3.06Å
17	S	48.2	Very low	57.3	Low	71 Å²	71	96.8 Å²	96.8	50%	0.497	53%	0.527	S	S	.	.			trans	-59	134.6	169.6	55.1	0	0	0	0	109.6	E15 Q19	E15-S17 PolarHBondContact O-N 3.15Å; S17-Q19 PolarHBondContact O-N 3.47Å
18	H	70.2	Confident	59.3	Low	141 Å²	141	92.1 Å²	92.1	65%	0.653	51%	0.51	S	S	*	.			trans	-77.9	73	-173.4	-162	-76	0	0	0	110.3	N16 V20 P37	N16-H18 PolarHBondContact O-N 3.06Å; H18-V20 PolarHBondContact O-N 3.15Å; H18-P37 WeakPolarHBondContact O-CG 3.33Å
19	Q	81.8	Confident	61.7	Low	77 Å²	77	89 Å²	89	36%	0.36	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-64.7	131.1	-177.5	-67.4	-173.7	-24.8	0	0	111.9	S17 R21 H34 F35	S17-Q19 PolarHBondContact O-N 3.47Å; Q19-R21 PolarHBondContact O-N 3.06Å; Q19-H34 HydrophobicContact CB-CB 4.21Å; Q19-F35 CarbonylContact C-O 3.57Å; Q19-F35 WeakPolarHBondContact CA-O 3.17Å
20	V	84.4	Confident	64.3	Low	2 Å²	2	83.4 Å²	83.4	1%	0.012	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	120.2	173.2	-179.4	0	0	0	0	108.3	H18 V22 H34 F35 P37 L84 Y87 L95	H18-V20 PolarHBondContact O-N 3.15Å; V20-V22 HydrophobicContact CG1-CG2 4.14Å; V20-H34 VanDerWaalsContact O-CA 3.28Å; V20-H34 WeakPolarHBondContact O-CA 3.48Å; V20-F35 PolarHBondContact N-O 3.14Å; V20-F35 PolarHBondContact O-N 2.98Å; V20-P37 HydrophobicContact CG2-CB 4.45Å; V20-P37 HydrophobicContact CG2-CG 4.04Å; V20-L84 HydrophobicContact CB-CD2 4.45Å; V20-L84 HydrophobicContact CG1-CD2 4.04Å; V20-L84 HydrophobicContact CG2-CD2 4.01Å; V20-Y87 HydrophobicContact CB-CE1 4.28Å; V20-Y87 HydrophobicContact CG1-CD1 4.17Å; V20-Y87 HydrophobicContact CG1-CD2 4.39Å; V20-Y87 HydrophobicContact CG1-CE1 3.87Å; V20-Y87 HydrophobicContact CG1-CE2 4.07Å; V20-Y87 HydrophobicContact CG1-CG 4.44Å; V20-Y87 HydrophobicContact CG2-CD1 4.34Å; V20-Y87 HydrophobicContact CG2-CE1 3.91Å; V20-L95 HydrophobicContact CG1-CB 4.09Å; V20-L95 HydrophobicContact CG1-CD2 4.47Å
21	R	86.7	Confident	67.1	Low	73 Å²	73	74.7 Å²	74.7	28%	0.275	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.6	177	176.9	170.2	166.2	-105.7	-11.4	109.1	Q19 S93 E94 L95	Q19-R21 PolarHBondContact O-N 3.06Å; R21-S93 PolarHBondContact NH1-O 2.92Å; R21-E94 HydrophobicContact CG-CB 4.33Å; R21-E94 IonicContact CZ-OE2 3.13Å; R21-E94 IonicContact NH1-OE2 2.75Å; R21-E94 PolarHBondContact NH1-OE2 2.83Å; R21-E94 IonicContact NH2-OE2 2.67Å; R21-E94 PolarHBondContact NH2-OE2 2.65Å; R21-E94 CarbonylContact O-C 3.53Å; R21-E94 VanDerWaalsContact O-CA 3.26Å; R21-E94 WeakPolarHBondContact O-CA 3.47Å; R21-L95 PolarHBondContact O-N 2.8Å
22	V	87.6	Confident	69.8	Low	4 Å²	4	69.6 Å²	69.6	2%	0.024	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	138.7	-178.1	-176	0	0	0	0	111.2	V20 I32 T33 F35 L95 I97	V20-V22 HydrophobicContact CG1-CG2 4.14Å; V22-I32 WeakPolarHBondContact O-CA 3.1Å; V22-T33 HydrophobicContact CB-CG2 3.87Å; V22-T33 HydrophobicContact CG1-CG2 4.39Å; V22-T33 PolarHBondContact N-O 2.68Å; V22-T33 PolarHBondContact O-N 3Å; V22-F35 HydrophobicContact CB-CD2 4.19Å; V22-F35 HydrophobicContact CB-CE2 3.96Å; V22-F35 HydrophobicContact CG1-CE2 4.2Å; V22-F35 HydrophobicContact CG2-CD2 3.44Å; V22-F35 VanDerWaalsContact CG2-CD2 3.44Å; V22-F35 HydrophobicContact CG2-CE2 3.69Å; V22-L95 WeakPolarHBondContact CA-O 3.44Å; V22-L95 HydrophobicContact CG2-CB 4.2Å; V22-L95 HydrophobicContact CG2-CD2 4.17Å; V22-I97 HydrophobicContact CG1-CD1 3.82Å; V22-I97 HydrophobicContact CG1-CG1 4.13Å
23	K	88.9	Confident	72.6	Confident	37 Å²	37	61.4 Å²	61.4	16%	0.161	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	96.4	176.3	178.8	177.7	177.5	-164	0	108.8	Y25 I30 I32 E94 L95 T96 I97	K23-Y25 HydrophobicContact CD-CE2 4.28Å; K23-Y25 WeakPolarHBondContact CE-OH 3.43Å; K23-Y25 HydrophobicContact CG-CE2 3.98Å; K23-Y25 PolarHBondContact NZ-OH 2.73Å; K23-I30 HydrophobicContact CG-CG2 3.87Å; K23-I32 HydrophobicContact CB-CD1 3.85Å; K23-I32 HydrophobicContact CD-CD1 4.33Å; K23-I32 HydrophobicContact CG-CD1 3.7Å; K23-E94 HydrophobicContact CD-CG 4.42Å; K23-E94 WeakPolarHBondContact CD-OE1 3.49Å; K23-E94 WeakPolarHBondContact CE-OE1 3.39Å; K23-E94 IonicContact NZ-OE1 3.53Å; K23-E94 PolarHBondContact NZ-OE1 2.85Å; K23-L95 PolarHBondContact N-O 2.67Å; K23-T96 WeakPolarHBondContact O-CA 3.48Å; K23-I97 PolarHBondContact O-N 3.31Å
24	A	89.3	Confident	75	Confident	3 Å²	3	57.2 Å²	57.2	3%	0.025	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	141.5	178.9	0	0	0	0	0	111.4	I30 M31 M51 I97 I99	A24-I30 CarbonylContact O-C 3.38Å; A24-I30 WeakPolarHBondContact O-CA 3.38Å; A24-M31 HydrophobicContact CB-CB 4.24Å; A24-M31 PolarHBondContact N-O 2.94Å; A24-M31 PolarHBondContact O-N 3.22Å; A24-M51 HydrophobicContact CB-CE 4.01Å; A24-I97 CarbonylContact C-O 3.58Å; A24-I97 WeakPolarHBondContact CA-O 3.1Å; A24-I99 HydrophobicContact CB-CD1 3.7Å
25	Y	87.3	Confident	77.5	Confident	38 Å²	38	54.7 Å²	54.7	15%	0.149	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.5	174.5	-69.7	-103.2	0	0	0	109.8	K23 I30 T96 I97 H98 I99 W126	K23-Y25 HydrophobicContact CD-CE2 4.28Å; K23-Y25 WeakPolarHBondContact CE-OH 3.43Å; K23-Y25 HydrophobicContact CG-CE2 3.98Å; K23-Y25 PolarHBondContact NZ-OH 2.73Å; Y25-I30 HydrophobicContact CD1-CD1 4.21Å; Y25-I30 HydrophobicContact CD1-CG1 3.59Å; Y25-I30 HydrophobicContact CE1-CD1 3.53Å; Y25-I30 HydrophobicContact CE1-CG1 3.44Å; Y25-I30 VanDerWaalsContact CE1-CG1 3.44Å; Y25-I30 HydrophobicContact CG-CG1 4.37Å; Y25-T96 HydrophobicContact CD2-CG2 4.09Å; Y25-T96 HydrophobicContact CE2-CG2 3.63Å; Y25-I97 PolarHBondContact N-O 3.23Å; Y25-H98 AromaticContact CD2-CE1 3.84Å; Y25-H98 AromaticContact CD2-NE2 3.63Å; Y25-H98 AromaticContact CE2-NE2 3.92Å; Y25-H98 AromaticContact CG-CE1 3.78Å; Y25-I99 PolarHBondContact O-N 2.93Å; Y25-W126 HydrophobicContact CD1-CD2 4.39Å
26	Y	87.8	Confident	79.9	Confident	22 Å²	22	50.7 Å²	50.7	9%	0.086	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	127.1	-179.5	178.8	-117.4	0	0	0	111.3	G28 D29 M31 C52 M54 I99 P101	Y26-G28 PolarHBondContact O-N 3.25Å; Y26-D29 PolarHBondContact N-O 3.39Å; Y26-D29 PolarHBondContact O-N 3.35Å; Y26-M31 HydrophobicContact CD1-SD 4.46Å; Y26-C52 HydrophobicContact CD1-CB 3.76Å; Y26-C52 HydrophobicContact CE1-CB 3.52Å; Y26-C52 WeakPolarHBondContact CE1-O 3.31Å; Y26-C52 HydrophobicContact CE2-CB 4.41Å; Y26-C52 HydrophobicContact CG-CB 4.28Å; Y26-M54 HydrophobicContact CD2-CE 4.11Å; Y26-M54 HydrophobicContact CE2-CE 3.37Å; Y26-I99 HydrophobicContact CD2-CB 4.09Å; Y26-I99 HydrophobicContact CD2-CG2 3.87Å; Y26-I99 HydrophobicContact CE2-CG2 4.36Å; Y26-P101 HydrophobicContact CE2-CB 4.04Å; Y26-P101 HydrophobicContact CE2-CG 4.25Å
27	K	81.3	Confident	81.9	Confident	152 Å²	152	45 Å²	45	66%	0.661	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.3	31.2	170.8	-70.6	-173.6	177.9	172.9	0	117.4
28	G	69.9	Low	83.7	Confident	33 Å²	33	46.5 Å²	46.5	34%	0.34	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	102.3	-6.3	-178.3	0	0	0	0	0	115.2	Y26 R127	Y26-G28 PolarHBondContact O-N 3.25Å; G28-R127 PolarHBondContact O-N 3.49Å
29	D	77.4	Confident	84.6	Confident	38 Å²	38	41.1 Å²	41.1	20%	0.203	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	145.9	179.3	-69.4	2.3	0	0	0	111.3	Y26 R127 L129	Y26-D29 PolarHBondContact N-O 3.39Å; Y26-D29 PolarHBondContact O-N 3.35Å; D29-R127 WeakPolarHBondContact CA-O 3.02Å; D29-R127 VanDerWaalsContact OD1-CB 3.31Å; D29-R127 WeakPolarHBondContact OD1-CB 3.23Å; D29-R127 WeakPolarHBondContact OD1-CD 3.28Å; D29-L129 HydrophobicContact CB-CD1 4.4Å; D29-L129 WeakPolarHBondContact OD2-CD1 2.86Å
30	I	83.9	Confident	85.1	Confident	18 Å²	18	39.7 Å²	39.7	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.4	164.3	-72.1	172.3	0	0	0	107.6	K23 A24 Y25 I32 W126 R127 K128 L129	K23-I30 HydrophobicContact CG-CG2 3.87Å; A24-I30 CarbonylContact O-C 3.38Å; A24-I30 WeakPolarHBondContact O-CA 3.38Å; Y25-I30 HydrophobicContact CD1-CD1 4.21Å; Y25-I30 HydrophobicContact CD1-CG1 3.59Å; Y25-I30 HydrophobicContact CE1-CD1 3.53Å; Y25-I30 HydrophobicContact CE1-CG1 3.44Å; Y25-I30 VanDerWaalsContact CE1-CG1 3.44Å; Y25-I30 HydrophobicContact CG-CG1 4.37Å; I30-I32 HydrophobicContact CG2-CD1 3.81Å; I30-I32 HydrophobicContact CG2-CG1 4.43Å; I30-W126 HydrophobicContact CB-CB 4.41Å; I30-W126 HydrophobicContact CD1-CB 3.64Å; I30-W126 HydrophobicContact CD1-CG 3.79Å; I30-W126 HydrophobicContact CG1-CB 3.61Å; I30-W126 HydrophobicContact CG1-CG 3.9Å; I30-R127 PolarHBondContact N-O 2.94Å; I30-K128 HydrophobicContact CB-CG 4.45Å; I30-K128 HydrophobicContact CG2-CG 4.18Å; I30-K128 CarbonylContact O-C 3.4Å; I30-K128 VanDerWaalsContact O-CA 3.31Å; I30-K128 WeakPolarHBondContact O-CA 3.47Å; I30-L129 PolarHBondContact O-N 3.31Å
31	M	85.7	Confident	85.3	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.02	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.6	-173.3	-39.2	170.3	93.1	0	0	108.1	A24 Y26 M51 L129 Y131	A24-M31 HydrophobicContact CB-CB 4.24Å; A24-M31 PolarHBondContact N-O 2.94Å; A24-M31 PolarHBondContact O-N 3.22Å; Y26-M31 HydrophobicContact CD1-SD 4.46Å; M31-M51 HydrophobicContact CB-CE 3.52Å; M31-M51 VanDerWaalsContact CE-C 3.42Å; M31-M51 HydrophobicContact CE-CB 3.9Å; M31-M51 WeakPolarHBondContact CE-O 3.32Å; M31-M51 HydrophobicContact CG-CE 4.44Å; M31-M51 HydrophobicContact SD-CE 4.14Å; M31-L129 WeakPolarHBondContact CA-O 3.46Å; M31-Y131 HydrophobicContact CB-CD2 4.18Å; M31-Y131 HydrophobicContact CB-CE2 3.95Å; M31-Y131 HydrophobicContact CE-CE2 3.68Å; M31-Y131 WeakPolarHBondContact CE-OH 3.33Å; M31-Y131 HydrophobicContact CG-CE2 4.29Å
32	I	86.4	Confident	85.4	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.3	178.3	-53.7	-56	0	0	0	109.1	V22 K23 I30 K128 L129 Y130 Y131	V22-I32 WeakPolarHBondContact O-CA 3.1Å; K23-I32 HydrophobicContact CB-CD1 3.85Å; K23-I32 HydrophobicContact CD-CD1 4.33Å; K23-I32 HydrophobicContact CG-CD1 3.7Å; I30-I32 HydrophobicContact CG2-CD1 3.81Å; I30-I32 HydrophobicContact CG2-CG1 4.43Å; I32-K128 HydrophobicContact CG1-CD 4.44Å; I32-K128 HydrophobicContact CG1-CG 4.21Å; I32-L129 PolarHBondContact N-O 3.06Å; I32-Y130 HydrophobicContact CB-CD1 3.74Å; I32-Y130 HydrophobicContact CB-CE1 4.03Å; I32-Y130 HydrophobicContact CB-CG 4.33Å; I32-Y130 HydrophobicContact CG1-CD1 4.18Å; I32-Y130 HydrophobicContact CG1-CE1 4.01Å; I32-Y130 HydrophobicContact CG2-CD1 4.02Å; I32-Y130 HydrophobicContact CG2-CE1 4.19Å; I32-Y130 CarbonylContact O-C 3.56Å; I32-Y130 WeakPolarHBondContact O-CA 3.45Å; I32-Y131 PolarHBondContact O-N 3.28Å
33	T	86.9	Confident	85.4	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.043	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	175.6	176.7	-169.7	0	0	0	0	109.9	V22 F35 M51	V22-T33 HydrophobicContact CB-CG2 3.87Å; V22-T33 HydrophobicContact CG1-CG2 4.39Å; V22-T33 PolarHBondContact N-O 2.68Å; V22-T33 PolarHBondContact O-N 3Å; T33-F35 HydrophobicContact CG2-CD2 4.4Å; T33-F35 HydrophobicContact CG2-CE1 3.84Å; T33-F35 HydrophobicContact CG2-CE2 3.56Å; T33-F35 HydrophobicContact CG2-CZ 3.25Å; T33-M51 HydrophobicContact CG2-CE 3.97Å; T33-M51 HydrophobicContact CG2-SD 3.7Å
34	H	86.9	Confident	85.3	Confident	49 Å²	49	44.1 Å²	44.1	23%	0.227	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.1	177	-59	75.4	0	0	0	109.5	Q19 V20 K178	Q19-H34 HydrophobicContact CB-CB 4.21Å; V20-H34 VanDerWaalsContact O-CA 3.28Å; V20-H34 WeakPolarHBondContact O-CA 3.48Å; H34-K178 PolarHBondContact CD2-NZ 2.99Å; H34-K178 WeakPolarHBondContact CE1-CE 3.44Å; H34-K178 PolarHBondContact CE1-NZ 2.86Å; H34-K178 PolarHBondContact NE2-NZ 3.44Å
35	F	85.3	Confident	85.3	Confident	16 Å²	16	44.6 Å²	44.6	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.9	178.3	-53.7	-53	0	0	0	110.9	Q19 V20 V22 T33 I39 L44 E47 M51	Q19-F35 CarbonylContact C-O 3.57Å; Q19-F35 WeakPolarHBondContact CA-O 3.17Å; V20-F35 PolarHBondContact N-O 3.14Å; V20-F35 PolarHBondContact O-N 2.98Å; V22-F35 HydrophobicContact CB-CD2 4.19Å; V22-F35 HydrophobicContact CB-CE2 3.96Å; V22-F35 HydrophobicContact CG1-CE2 4.2Å; V22-F35 HydrophobicContact CG2-CD2 3.44Å; V22-F35 VanDerWaalsContact CG2-CD2 3.44Å; V22-F35 HydrophobicContact CG2-CE2 3.69Å; T33-F35 HydrophobicContact CG2-CD2 4.4Å; T33-F35 HydrophobicContact CG2-CE1 3.84Å; T33-F35 HydrophobicContact CG2-CE2 3.56Å; T33-F35 HydrophobicContact CG2-CZ 3.25Å; F35-I39 HydrophobicContact CB-CB 4.35Å; F35-I39 HydrophobicContact CB-CD1 3.85Å; F35-I39 HydrophobicContact CB-CG2 4.05Å; F35-I39 HydrophobicContact CD1-CD1 3.61Å; F35-I39 HydrophobicContact CD2-CD1 4.33Å; F35-I39 HydrophobicContact CE1-CD1 4.22Å; F35-I39 HydrophobicContact CG-CD1 3.67Å; F35-L44 HydrophobicContact CD2-CD1 3.81Å; F35-L44 HydrophobicContact CE2-CD1 3.21Å; F35-L44 HydrophobicContact CZ-CD1 3.65Å; F35-E47 HydrophobicContact CD1-CG 4.32Å; F35-E47 HydrophobicContact CE1-CB 3.64Å; F35-E47 HydrophobicContact CE1-CG 3.64Å; F35-E47 HydrophobicContact CZ-CB 3.92Å; F35-E47 HydrophobicContact CZ-CG 4.4Å; F35-M51 HydrophobicContact CZ-SD 4.43Å
36	E	84.8	Confident	85.3	Confident	106 Å²	106	44.2 Å²	44.2	50%	0.495	25%	0.252	S	S	.	.			trans	-76.5	144.5	167.4	-59.9	-169.8	153.7	0	0	109.3	S38 I39	E36-S38 PolarHBondContact O-N 3.46Å; E36-I39 WeakPolarHBondContact O-CB 3.42Å; E36-I39 WeakPolarHBondContact O-CG2 3.31Å; E36-I39 PolarHBondContact O-N 3.09Å
37	P	80.3	Confident	85.2	Confident	52 Å²	52	47.3 Å²	47.3	34%	0.338	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-21.8	176.6	-25	32.9	0	0	0	114.1	H18 V20 I39	H18-P37 WeakPolarHBondContact O-CG 3.33Å; V20-P37 HydrophobicContact CG2-CB 4.45Å; V20-P37 HydrophobicContact CG2-CG 4.04Å; P37-I39 VanDerWaalsContact C-N 3.35Å
38	S	84.3	Confident	85.5	Confident	101 Å²	101	40.2 Å²	40.2	71%	0.706	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	12.4	177.3	48.9	0	0	0	0	115	E36	E36-S38 PolarHBondContact O-N 3.46Å
39	I	89.4	Confident	86.4	Confident	29 Å²	29	41.1 Å²	41.1	15%	0.149	23%	0.23	C	C	.	.			trans	-65.1	133.1	177.1	-167	167.8	0	0	0	111.1	F35 E36 P37 L44	F35-I39 HydrophobicContact CB-CB 4.35Å; F35-I39 HydrophobicContact CB-CD1 3.85Å; F35-I39 HydrophobicContact CB-CG2 4.05Å; F35-I39 HydrophobicContact CD1-CD1 3.61Å; F35-I39 HydrophobicContact CD2-CD1 4.33Å; F35-I39 HydrophobicContact CE1-CD1 4.22Å; F35-I39 HydrophobicContact CG-CD1 3.67Å; E36-I39 WeakPolarHBondContact O-CB 3.42Å; E36-I39 WeakPolarHBondContact O-CG2 3.31Å; E36-I39 PolarHBondContact O-N 3.09Å; P37-I39 VanDerWaalsContact C-N 3.35Å; I39-L44 HydrophobicContact CD1-CB 4.13Å; I39-L44 HydrophobicContact CG1-CB 4.38Å
40	S	91.9	Very high	86.7	Confident	46 Å²	46	45.2 Å²	45.2	32%	0.322	25%	0.251	S	S	.	.			trans	-80.2	160.6	172.8	91.7	0	0	0	0	111.6	E42 G43 L44 Q77	S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 WeakPolarHBondContact CB-OE2 3.2Å; S40-E42 PolarHBondContact O-N 2.9Å; S40-E42 PolarHBondContact OG-N 2.74Å; S40-E42 PolarHBondContact OG-OE2 3.14Å; S40-G43 WeakPolarHBondContact O-CA 3.49Å; S40-G43 PolarHBondContact O-N 2.79Å; S40-G43 PolarHBondContact OG-N 3.05Å; S40-L44 PolarHBondContact O-N 3.37Å; S40-Q77 VanDerWaalsContact CA-OE1 3.28Å
41	Y	88.7	Confident	86.8	Confident	47 Å²	47	44.5 Å²	44.5	18%	0.184	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-37.6	175.5	175.2	-96.3	0	0	0	112.5	S45 M62 V74 S75	Y41-S45 WeakPolarHBondContact O-CB 3.31Å; Y41-S45 PolarHBondContact O-N 3.37Å; Y41-S45 PolarHBondContact O-OG 3.37Å; Y41-M62 HydrophobicContact CD2-CE 4.13Å; Y41-M62 HydrophobicContact CE2-CE 3.4Å; Y41-M62 VanDerWaalsContact CE2-CE 3.4Å; Y41-V74 HydrophobicContact CD2-CG1 4.21Å; Y41-V74 HydrophobicContact CE2-CG1 4.21Å; Y41-S75 VanDerWaalsContact CE2-C 3.44Å; Y41-S75 VanDerWaalsContact CZ-C 3.4Å; Y41-S75 WeakPolarHBondContact OH-CA 3.13Å; Y41-S75 PolarHBondContact OH-O 2.62Å
42	E	88.9	Confident	86.8	Confident	129 Å²	129	44.8 Å²	44.8	60%	0.603	25%	0.25	S	C	*	.	H	α-helix	trans	-67	-39.6	173.4	-57.8	72.9	-158.5	0	0	111.5	S40 S45 G46	S40-E42 VanDerWaalsContact C-N 3.27Å; S40-E42 WeakPolarHBondContact CB-OE2 3.2Å; S40-E42 PolarHBondContact O-N 2.9Å; S40-E42 PolarHBondContact OG-N 2.74Å; S40-E42 PolarHBondContact OG-OE2 3.14Å; E42-S45 PolarHBondContact O-N 2.99Å; E42-G46 PolarHBondContact O-N 3Å
43	G	88	Confident	86.6	Confident	32 Å²	32	49.4 Å²	49.4	33%	0.33	28%	0.283	S	S	.	.	H	α-helix	trans	-62.9	-49.5	175	0	0	0	0	0	112.2	S40 S45 G46 E47	S40-G43 WeakPolarHBondContact O-CA 3.49Å; S40-G43 PolarHBondContact O-N 2.79Å; S40-G43 PolarHBondContact OG-N 3.05Å; G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 3.45Å; G43-G46 PolarHBondContact O-N 3.28Å; G43-E47 PolarHBondContact O-N 2.82Å
44	L	87.9	Confident	86.5	Confident	2 Å²	2	49.8 Å²	49.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-40.8	174.2	176.2	62.1	0	0	0	111.5	F35 I39 S40 G46 E47 V48 M62 L80	F35-L44 HydrophobicContact CD2-CD1 3.81Å; F35-L44 HydrophobicContact CE2-CD1 3.21Å; F35-L44 HydrophobicContact CZ-CD1 3.65Å; I39-L44 HydrophobicContact CD1-CB 4.13Å; I39-L44 HydrophobicContact CG1-CB 4.38Å; S40-L44 PolarHBondContact O-N 3.37Å; L44-G46 VanDerWaalsContact C-N 3.35Å; L44-E47 PolarHBondContact O-N 3.33Å; L44-V48 HydrophobicContact CD1-CG2 4.29Å; L44-V48 WeakPolarHBondContact O-CB 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.45Å; L44-V48 PolarHBondContact O-N 2.82Å; L44-M62 HydrophobicContact CD2-CE 4.4Å; L44-M62 HydrophobicContact CD2-SD 4.15Å; L44-M62 HydrophobicContact CG-SD 4.15Å; L44-L80 HydrophobicContact CB-CD2 4.28Å; L44-L80 HydrophobicContact CD2-CD1 3.58Å; L44-L80 HydrophobicContact CD2-CD2 3.92Å; L44-L80 HydrophobicContact CD2-CG 4.37Å
45	S	88.1	Confident	86.5	Confident	13 Å²	13	53.4 Å²	53.4	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-37.8	177	-64.7	0	0	0	0	112.2	Y41 E42 G43 R49	Y41-S45 WeakPolarHBondContact O-CB 3.31Å; Y41-S45 PolarHBondContact O-N 3.37Å; Y41-S45 PolarHBondContact O-OG 3.37Å; E42-S45 PolarHBondContact O-N 2.99Å; G43-S45 VanDerWaalsContact C-N 3.29Å; G43-S45 PolarHBondContact O-N 3.45Å; S45-R49 VanDerWaalsContact O-CG 3.29Å; S45-R49 WeakPolarHBondContact O-CG 3.28Å; S45-R49 PolarHBondContact O-N 2.81Å
46	G	87.1	Confident	86.1	Confident	29 Å²	29	58.9 Å²	58.9	30%	0.299	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-51.9	172.9	0	0	0	0	0	112.1	E42 G43 L44 V48 R49 D50	E42-G46 PolarHBondContact O-N 3Å; G43-G46 PolarHBondContact O-N 3.28Å; L44-G46 VanDerWaalsContact C-N 3.35Å; G46-V48 VanDerWaalsContact C-N 3.29Å; G46-V48 PolarHBondContact O-N 3.06Å; G46-R49 WeakPolarHBondContact O-CB 3.11Å; G46-R49 PolarHBondContact O-N 2.97Å; G46-R49 VanDerWaalsContact O-N 3.09Å; G46-D50 PolarHBondContact O-N 2.86Å
47	E	86.4	Confident	85.9	Confident	87 Å²	87	61.3 Å²	61.3	41%	0.407	35%	0.352	S	S	.	.	H	α-helix	trans	-55.8	-42.4	175.3	-73.7	-77.1	167.3	0	0	111.9	F35 G43 L44 D50 M51	F35-E47 HydrophobicContact CD1-CG 4.32Å; F35-E47 HydrophobicContact CE1-CB 3.64Å; F35-E47 HydrophobicContact CE1-CG 3.64Å; F35-E47 HydrophobicContact CZ-CB 3.92Å; F35-E47 HydrophobicContact CZ-CG 4.4Å; G43-E47 PolarHBondContact O-N 2.82Å; L44-E47 PolarHBondContact O-N 3.33Å; E47-D50 PolarHBondContact O-N 2.78Å; E47-M51 WeakPolarHBondContact O-CB 3.46Å; E47-M51 WeakPolarHBondContact O-CG 3.37Å; E47-M51 PolarHBondContact O-N 3.43Å
48	V	87.6	Confident	86.1	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.024	35%	0.347	C	S	.	.	H	α-helix	trans	-63.5	-41.5	175.9	161.4	0	0	0	0	112.2	L44 G46 C52 F60 M62 I99	L44-V48 HydrophobicContact CD1-CG2 4.29Å; L44-V48 WeakPolarHBondContact O-CB 3.27Å; L44-V48 WeakPolarHBondContact O-CG2 3.45Å; L44-V48 PolarHBondContact O-N 2.82Å; G46-V48 VanDerWaalsContact C-N 3.29Å; G46-V48 PolarHBondContact O-N 3.06Å; V48-C52 WeakPolarHBondContact O-CB 3.23Å; V48-C52 PolarHBondContact O-N 2.9Å; V48-C52 PolarHBondContact O-SG 3.24Å; V48-F60 HydrophobicContact CB-CE2 4.23Å; V48-F60 HydrophobicContact CB-CZ 4.28Å; V48-F60 HydrophobicContact CG1-CD2 3.97Å; V48-F60 HydrophobicContact CG1-CE2 3.45Å; V48-F60 VanDerWaalsContact CG1-CE2 3.45Å; V48-F60 HydrophobicContact CG1-CZ 3.77Å; V48-M62 HydrophobicContact CG2-SD 3.93Å; V48-I99 HydrophobicContact CG1-CD1 3.82Å; V48-I99 HydrophobicContact CG1-CG1 4.27Å; V48-I99 HydrophobicContact CG1-CG2 4.1Å; V48-I99 HydrophobicContact CG2-CD1 4.08Å
49	R	87.6	Confident	86.2	Confident	51 Å²	51	63.1 Å²	63.1	19%	0.192	34%	0.344	C	S	.	.	H	α-helix	trans	-61.8	-49.4	175.7	-73.8	173.4	-176.9	-64.4	-6.8	111.6	S45 G46 C52 S53 M54 D55 N56 Q58 F60	S45-R49 VanDerWaalsContact O-CG 3.29Å; S45-R49 WeakPolarHBondContact O-CG 3.28Å; S45-R49 PolarHBondContact O-N 2.81Å; G46-R49 WeakPolarHBondContact O-CB 3.11Å; G46-R49 PolarHBondContact O-N 2.97Å; G46-R49 VanDerWaalsContact O-N 3.09Å; R49-C52 CarbonylContact O-C 3.32Å; R49-C52 PolarHBondContact O-N 2.88Å; R49-S53 WeakPolarHBondContact O-CA 3.21Å; R49-S53 PolarHBondContact O-N 2.88Å; R49-M54 HydrophobicContact CB-CB 4.38Å; R49-M54 HydrophobicContact CG-CB 4.34Å; R49-M54 PolarHBondContact O-N 2.93Å; R49-D55 PolarHBondContact NH1-O 3.5Å; R49-N56 PolarHBondContact NH1-O 3.04Å; R49-N56 VanDerWaalsContact NH1-O 3.07Å; R49-N56 PolarHBondContact NH2-O 3.38Å; R49-Q58 VanDerWaalsContact CZ-O 3.32Å; R49-Q58 PolarHBondContact NH1-O 3.08Å; R49-Q58 PolarHBondContact NH2-O 2.86Å; R49-F60 HydrophobicContact CG-CE1 3.83Å; R49-F60 HydrophobicContact CG-CZ 4.49Å
50	D	83.8	Confident	86.3	Confident	124 Å²	124	62.8 Å²	62.8	66%	0.663	34%	0.342	S	S	*	.	H	α-helix	trans	-62.1	-46.5	179.3	-77.1	-9.4	0	0	0	111.2	G46 E47 C52 S53	G46-D50 PolarHBondContact O-N 2.86Å; E47-D50 PolarHBondContact O-N 2.78Å; D50-C52 PolarHBondContact O-N 2.92Å; D50-S53 PolarHBondContact O-N 2.73Å
51	M	86.3	Confident	86.2	Confident	4 Å²	4	61.1 Å²	61.1	2%	0.02	33%	0.33	C	S	.	.	H	α-helix	trans	-56.1	-51.7	175.5	-78.8	173.5	53	0	0	111.4	A24 M31 T33 F35 E47 S53 Y131	A24-M51 HydrophobicContact CB-CE 4.01Å; M31-M51 HydrophobicContact CB-CE 3.52Å; M31-M51 VanDerWaalsContact CE-C 3.42Å; M31-M51 HydrophobicContact CE-CB 3.9Å; M31-M51 WeakPolarHBondContact CE-O 3.32Å; M31-M51 HydrophobicContact CG-CE 4.44Å; M31-M51 HydrophobicContact SD-CE 4.14Å; T33-M51 HydrophobicContact CG2-CE 3.97Å; T33-M51 HydrophobicContact CG2-SD 3.7Å; F35-M51 HydrophobicContact CZ-SD 4.43Å; E47-M51 WeakPolarHBondContact O-CB 3.46Å; E47-M51 WeakPolarHBondContact O-CG 3.37Å; E47-M51 PolarHBondContact O-N 3.43Å; M51-S53 VanDerWaalsContact C-N 3.28Å; M51-S53 PolarHBondContact O-N 2.87Å; M51-Y131 HydrophobicContact CB-CD1 4.21Å; M51-Y131 HydrophobicContact CB-CE1 4.08Å; M51-Y131 HydrophobicContact CE-CD2 4.41Å; M51-Y131 HydrophobicContact CG-CD1 3.68Å; M51-Y131 HydrophobicContact CG-CD2 4.24Å; M51-Y131 HydrophobicContact CG-CE1 4.08Å; M51-Y131 HydrophobicContact CG-CG 3.76Å; M51-Y131 WeakPolarHBondContact O-CE1 3.41Å; M51-Y131 PolarHBondContact O-OH 3.29Å
52	C	85.3	Confident	86.3	Confident	9 Å²	9	59 Å²	59	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-82	-2.3	-173.8	-63.2	0	0	0	0	114.3	Y26 V48 R49 D50 M54	Y26-C52 HydrophobicContact CD1-CB 3.76Å; Y26-C52 HydrophobicContact CE1-CB 3.52Å; Y26-C52 WeakPolarHBondContact CE1-O 3.31Å; Y26-C52 HydrophobicContact CE2-CB 4.41Å; Y26-C52 HydrophobicContact CG-CB 4.28Å; V48-C52 WeakPolarHBondContact O-CB 3.23Å; V48-C52 PolarHBondContact O-N 2.9Å; V48-C52 PolarHBondContact O-SG 3.24Å; R49-C52 CarbonylContact O-C 3.32Å; R49-C52 PolarHBondContact O-N 2.88Å; D50-C52 PolarHBondContact O-N 2.92Å; C52-M54 VanDerWaalsContact C-N 3.28Å; C52-M54 HydrophobicContact CB-CE 3.75Å; C52-M54 HydrophobicContact CB-CG 3.76Å; C52-M54 HydrophobicContact CB-SD 4.12Å; C52-M54 PolarHBondContact O-N 2.8Å
53	S	83.8	Confident	86.3	Confident	101 Å²	101	53.3 Å²	53.3	71%	0.706	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	47.9	-173.6	-54	0	0	0	0	112	R49 D50 M51	R49-S53 WeakPolarHBondContact O-CA 3.21Å; R49-S53 PolarHBondContact O-N 2.88Å; D50-S53 PolarHBondContact O-N 2.73Å; M51-S53 VanDerWaalsContact C-N 3.28Å; M51-S53 PolarHBondContact O-N 2.87Å
54	M	85.1	Confident	86.3	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.069	28%	0.283	C	S	.	.			trans	-90.7	147.9	176.7	-66.6	-180	177.8	0	0	111	Y26 R49 C52 Q58 F60 I99 P101	Y26-M54 HydrophobicContact CD2-CE 4.11Å; Y26-M54 HydrophobicContact CE2-CE 3.37Å; R49-M54 HydrophobicContact CB-CB 4.38Å; R49-M54 HydrophobicContact CG-CB 4.34Å; R49-M54 PolarHBondContact O-N 2.93Å; C52-M54 VanDerWaalsContact C-N 3.28Å; C52-M54 HydrophobicContact CB-CE 3.75Å; C52-M54 HydrophobicContact CB-CG 3.76Å; C52-M54 HydrophobicContact CB-SD 4.12Å; C52-M54 PolarHBondContact O-N 2.8Å; M54-Q58 HydrophobicContact CB-CB 4.33Å; M54-F60 HydrophobicContact CE-CB 3.85Å; M54-F60 HydrophobicContact CE-CG 4.25Å; M54-F60 HydrophobicContact SD-CB 3.88Å; M54-F60 HydrophobicContact SD-CD1 3.69Å; M54-F60 HydrophobicContact SD-CE1 4.41Å; M54-F60 HydrophobicContact SD-CG 3.88Å; M54-I99 HydrophobicContact CE-CG2 3.65Å; M54-P101 HydrophobicContact CE-CB 4.43Å
55	D	85.1	Confident	85.8	Confident	126 Å²	126	53.8 Å²	53.8	67%	0.674	29%	0.288	S	S	*	.			trans	-65.9	152.2	170.2	-63.5	-49.6	0	0	0	110.8	R49 D57 Q58	R49-D55 PolarHBondContact NH1-O 3.5Å; D55-D57 PolarHBondContact O-N 3.18Å; D55-Q58 HydrophobicContact CB-CB 4.24Å; D55-Q58 WeakPolarHBondContact O-CB 3.45Å; D55-Q58 PolarHBondContact O-N 2.8Å
56	N	77.8	Confident	84.9	Confident	130 Å²	130	54.9 Å²	54.9	70%	0.695	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.7	-178.9	-77	-19.7	0	0	0	113.5	R49	R49-N56 PolarHBondContact NH1-O 3.04Å; R49-N56 VanDerWaalsContact NH1-O 3.07Å; R49-N56 PolarHBondContact NH2-O 3.38Å
57	D	79.8	Confident	83.7	Confident	157 Å²	157	59.9 Å²	59.9	84%	0.84	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.6	-179.8	-58.9	-45.9	0	0	0	113.2	D55 Q59	D55-D57 PolarHBondContact O-N 3.18Å; D57-Q59 PolarHBondContact O-N 3.39Å
58	Q	84.8	Confident	82.2	Confident	54 Å²	54	64.1 Å²	64.1	25%	0.252	33%	0.329	S	S	.	.			trans	-66.5	131.1	-179.4	-173.8	176.5	-4.6	0	0	110.3	R49 M54 D55	R49-Q58 VanDerWaalsContact CZ-O 3.32Å; R49-Q58 PolarHBondContact NH1-O 3.08Å; R49-Q58 PolarHBondContact NH2-O 2.86Å; M54-Q58 HydrophobicContact CB-CB 4.33Å; D55-Q58 HydrophobicContact CB-CB 4.24Å; D55-Q58 WeakPolarHBondContact O-CB 3.45Å; D55-Q58 PolarHBondContact O-N 2.8Å
59	Q	87.2	Confident	81	Confident	137 Å²	137	65.4 Å²	65.4	64%	0.64	34%	0.342	S	S	*	.			trans	-84.8	143.6	174.1	-62.1	-171.7	-29.9	0	0	111.2	D57 P101 V103	D57-Q59 PolarHBondContact O-N 3.39Å; Q59-P101 CarbonylContact O-C 3.48Å; Q59-V103 HydrophobicContact CB-CG2 3.71Å
60	F	91.8	Very high	79.9	Confident	23 Å²	23	67.6 Å²	67.6	10%	0.101	36%	0.358	C	S	.	.			trans	-147.7	162.6	176.8	66.7	-88.6	0	0	0	110.6	V48 R49 M54 M62 I99 F100 C102	V48-F60 HydrophobicContact CB-CE2 4.23Å; V48-F60 HydrophobicContact CB-CZ 4.28Å; V48-F60 HydrophobicContact CG1-CD2 3.97Å; V48-F60 HydrophobicContact CG1-CE2 3.45Å; V48-F60 VanDerWaalsContact CG1-CE2 3.45Å; V48-F60 HydrophobicContact CG1-CZ 3.77Å; R49-F60 HydrophobicContact CG-CE1 3.83Å; R49-F60 HydrophobicContact CG-CZ 4.49Å; M54-F60 HydrophobicContact CE-CB 3.85Å; M54-F60 HydrophobicContact CE-CG 4.25Å; M54-F60 HydrophobicContact SD-CB 3.88Å; M54-F60 HydrophobicContact SD-CD1 3.69Å; M54-F60 HydrophobicContact SD-CE1 4.41Å; M54-F60 HydrophobicContact SD-CG 3.88Å; F60-M62 HydrophobicContact CD2-CG 3.98Å; F60-M62 HydrophobicContact CE2-CE 4.03Å; F60-M62 HydrophobicContact CE2-CG 3.65Å; F60-M62 HydrophobicContact CE2-SD 3.97Å; F60-I99 HydrophobicContact CD2-CG2 4.24Å; F60-F100 CarbonylContact C-O 3.3Å; F60-F100 WeakPolarHBondContact CA-O 3.15Å; F60-F100 WeakPolarHBondContact CB-O 3.25Å; F60-C102 CarbonylContact C-O 3.56Å
61	T	89.3	Confident	79.6	Confident	11 Å²	11	63.4 Å²	63.4	7%	0.067	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.1	173.6	-54.6	0	0	0	0	109.2	K63 T73 I99 F100 C102 V103 P104	T61-K63 HydrophobicContact CG2-CG 4.11Å; T61-T73 HydrophobicContact CG2-CG2 3.87Å; T61-I99 WeakPolarHBondContact O-CA 3.46Å; T61-F100 PolarHBondContact N-O 3.41Å; T61-F100 PolarHBondContact O-N 3.5Å; T61-C102 WeakPolarHBondContact CB-O 3.41Å; T61-C102 PolarHBondContact N-O 2.95Å; T61-C102 VanDerWaalsContact N-O 3.15Å; T61-C102 PolarHBondContact OG1-O 3.43Å; T61-V103 WeakPolarHBondContact OG1-CA 3.49Å; T61-P104 WeakPolarHBondContact OG1-CD 3.29Å
62	M	91.8	Very high	79.2	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	135.1	167.2	-64.9	-177.8	-77.5	0	0	109.5	Y41 L44 V48 F60 T73 V74 I97 H98	Y41-M62 HydrophobicContact CD2-CE 4.13Å; Y41-M62 HydrophobicContact CE2-CE 3.4Å; Y41-M62 VanDerWaalsContact CE2-CE 3.4Å; L44-M62 HydrophobicContact CD2-CE 4.4Å; L44-M62 HydrophobicContact CD2-SD 4.15Å; L44-M62 HydrophobicContact CG-SD 4.15Å; V48-M62 HydrophobicContact CG2-SD 3.93Å; F60-M62 HydrophobicContact CD2-CG 3.98Å; F60-M62 HydrophobicContact CE2-CE 4.03Å; F60-M62 HydrophobicContact CE2-CG 3.65Å; F60-M62 HydrophobicContact CE2-SD 3.97Å; M62-T73 WeakPolarHBondContact O-CA 3.42Å; M62-V74 HydrophobicContact CB-CB 4.3Å; M62-V74 PolarHBondContact O-N 2.82Å; M62-I97 HydrophobicContact CB-CG2 4Å; M62-I97 HydrophobicContact CG-CG2 4.35Å; M62-H98 CarbonylContact C-O 3.44Å; M62-H98 WeakPolarHBondContact CA-O 3.39Å
63	K	87.6	Confident	79.2	Confident	9 Å²	9	67.8 Å²	67.8	4%	0.039	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	114.6	170.6	-60.6	-165.2	174	-174	0	110.6	T61 P71 C72 T73 I97 H98 F100 E114	T61-K63 HydrophobicContact CG2-CG 4.11Å; K63-P71 HydrophobicContact CB-CB 4.21Å; K63-P71 HydrophobicContact CD-CB 4.09Å; K63-C72 CarbonylContact C-O 3.45Å; K63-C72 WeakPolarHBondContact CA-O 3.41Å; K63-T73 WeakPolarHBondContact CE-OG1 3.49Å; K63-I97 CarbonylContact O-C 3.54Å; K63-I97 WeakPolarHBondContact O-CA 3.35Å; K63-H98 PolarHBondContact N-O 3.16Å; K63-H98 PolarHBondContact O-N 2.91Å; K63-F100 HydrophobicContact CB-CE2 4.33Å; K63-F100 HydrophobicContact CD-CE2 4.14Å; K63-F100 HydrophobicContact CG-CD2 4.47Å; K63-F100 HydrophobicContact CG-CE2 4.13Å; K63-E114 VanDerWaalsContact CE-OE2 3.23Å; K63-E114 WeakPolarHBondContact CE-OE2 3.44Å; K63-E114 IonicContact NZ-OE1 2.9Å; K63-E114 PolarHBondContact NZ-OE1 2.94Å; K63-E114 IonicContact NZ-OE2 2.69Å; K63-E114 PolarHBondContact NZ-OE2 3.33Å
64	W	87.6	Confident	79.3	Confident	19 Å²	19	63.3 Å²	63.3	7%	0.072	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	154.5	168.5	166.9	61.9	0	0	0	109.7	D66 P71 C72 V74 A83 L86 L95 T96	W64-D66 HydrophobicContact CH2-CB 3.73Å; W64-D66 HydrophobicContact CZ2-CB 4.25Å; W64-D66 HydrophobicContact CZ3-CB 3.96Å; W64-P71 CarbonylContact O-C 3.53Å; W64-P71 WeakPolarHBondContact O-CA 3.41Å; W64-C72 HydrophobicContact CE3-CB 3.91Å; W64-C72 HydrophobicContact CZ3-CB 4.42Å; W64-C72 PolarHBondContact N-O 3.46Å; W64-C72 PolarHBondContact O-N 3.24Å; W64-V74 HydrophobicContact CB-CG2 3.84Å; W64-A83 HydrophobicContact CD2-CB 3.79Å; W64-A83 HydrophobicContact CE3-CB 3.84Å; W64-A83 HydrophobicContact CG-CB 4.08Å; W64-A83 HydrophobicContact CZ3-CB 4.44Å; W64-L86 HydrophobicContact CH2-CB 3.96Å; W64-L86 HydrophobicContact CH2-CD1 3.5Å; W64-L86 HydrophobicContact CH2-CG 4.36Å; W64-L86 HydrophobicContact CZ2-CB 4.25Å; W64-L86 HydrophobicContact CZ3-CD1 3.87Å; W64-L95 VanDerWaalsContact CD1-CD1 3.44Å; W64-L95 HydrophobicContact CG-CD1 4.35Å; W64-T96 WeakPolarHBondContact CA-O 3.31Å; W64-T96 VanDerWaalsContact CD1-O 3.28Å
65	I	78.4	Confident	79.2	Confident	26 Å²	26	65.9 Å²	65.9	13%	0.133	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.8	177.9	-49.1	-56.5	0	0	0	108.9	D70 P71 T96 Y119	I65-D70 WeakPolarHBondContact CA-O 3.38Å; I65-P71 HydrophobicContact CD1-CB 3.9Å; I65-T96 HydrophobicContact CB-CG2 4.47Å; I65-T96 HydrophobicContact CG1-CG2 3.88Å; I65-T96 PolarHBondContact N-O 2.84Å; I65-Y119 HydrophobicContact CD1-CD1 3.25Å; I65-Y119 HydrophobicContact CD1-CE1 3.48Å; I65-Y119 VanDerWaalsContact CD1-CE1 3.48Å; I65-Y119 HydrophobicContact CD1-CG 4.13Å; I65-Y119 HydrophobicContact CG1-CD1 4.29Å
66	D	68.4	Low	79.3	Confident	36 Å²	36	61.9 Å²	61.9	19%	0.193	34%	0.335	C	S	.	.			trans	-76.8	-177.6	179.3	64.4	33.1	0	0	0	113.3	W64 E68 G69 D70	W64-D66 HydrophobicContact CH2-CB 3.73Å; W64-D66 HydrophobicContact CZ2-CB 4.25Å; W64-D66 HydrophobicContact CZ3-CB 3.96Å; D66-E68 VanDerWaalsContact C-N 3.26Å; D66-E68 PolarHBondContact O-N 2.97Å; D66-E68 WeakPolarHBondContact OD1-CA 3.49Å; D66-E68 WeakPolarHBondContact OD1-CB 3.45Å; D66-E68 PolarHBondContact OD1-N 2.88Å; D66-G69 PolarHBondContact O-N 2.65Å; D66-G69 PolarHBondContact OD1-N 3.23Å; D66-D70 PolarHBondContact N-O 2.88Å; D66-D70 VanDerWaalsContact N-O 3.1Å; D66-D70 PolarHBondContact OD1-N 3.13Å
67	E	62.1	Low	79.9	Confident	134 Å²	134	58.6 Å²	58.6	63%	0.626	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.1	179.1	-65.9	-170.7	106.4	0	0	113.6	G69 N90	E67-G69 VanDerWaalsContact C-N 3.25Å; E67-N90 VanDerWaalsContact CG-ND2 3.27Å; E67-N90 WeakPolarHBondContact CG-ND2 3.45Å; E67-N90 VanDerWaalsContact OE1-CG 3.27Å; E67-N90 PolarHBondContact OE1-ND2 3.31Å; E67-N90 PolarHBondContact OE2-ND2 3.04Å; E67-N90 VanDerWaalsContact OE2-ND2 3.07Å
68	E	56.6	Low	80.1	Confident	176 Å²	176	57.4 Å²	57.4	82%	0.822	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.4	-180	-59.3	-176.3	178.5	0	0	110.9	D66	D66-E68 VanDerWaalsContact C-N 3.26Å; D66-E68 PolarHBondContact O-N 2.97Å; D66-E68 WeakPolarHBondContact OD1-CA 3.49Å; D66-E68 WeakPolarHBondContact OD1-CB 3.45Å; D66-E68 PolarHBondContact OD1-N 2.88Å
69	G	62.2	Low	80	Confident	30 Å²	30	58.5 Å²	58.5	31%	0.309	31%	0.314	S	S	.	.	S	Bend	trans	93.3	10.5	178.5	0	0	0	0	0	113.3	D66 E67	D66-G69 PolarHBondContact O-N 2.65Å; D66-G69 PolarHBondContact OD1-N 3.23Å; E67-G69 VanDerWaalsContact C-N 3.25Å
70	D	63.8	Low	80	Confident	97 Å²	97	52.1 Å²	52.1	52%	0.519	28%	0.284	S	S	.	.			trans	-91.5	147.6	-177.6	-90.4	-34.3	0	0	0	112.1	I65 D66 C72	I65-D70 WeakPolarHBondContact CA-O 3.38Å; D66-D70 PolarHBondContact N-O 2.88Å; D66-D70 VanDerWaalsContact N-O 3.1Å; D66-D70 PolarHBondContact OD1-N 3.13Å; D70-C72 PolarHBondContact O-N 3.45Å
71	P	76.8	Confident	79.8	Confident	36 Å²	36	55.9 Å²	55.9	23%	0.234	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	99.5	-172.2	36.2	-37.9	0	0	0	113.4	K63 W64 I65 Y119	K63-P71 HydrophobicContact CB-CB 4.21Å; K63-P71 HydrophobicContact CD-CB 4.09Å; W64-P71 CarbonylContact O-C 3.53Å; W64-P71 WeakPolarHBondContact O-CA 3.41Å; I65-P71 HydrophobicContact CD1-CB 3.9Å; P71-Y119 HydrophobicContact CB-CD1 4.31Å; P71-Y119 HydrophobicContact CB-CD2 4.28Å; P71-Y119 HydrophobicContact CB-CE1 3.74Å; P71-Y119 HydrophobicContact CB-CE2 3.73Å; P71-Y119 HydrophobicContact CG-CD2 4.05Å; P71-Y119 HydrophobicContact CG-CE1 4.48Å; P71-Y119 HydrophobicContact CG-CE2 3.54Å
72	C	78.3	Confident	79.4	Confident	53 Å²	53	59.4 Å²	59.4	36%	0.358	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128	172.9	-71.2	0	0	0	0	112	K63 W64 D70	K63-C72 CarbonylContact C-O 3.45Å; K63-C72 WeakPolarHBondContact CA-O 3.41Å; W64-C72 HydrophobicContact CE3-CB 3.91Å; W64-C72 HydrophobicContact CZ3-CB 4.42Å; W64-C72 PolarHBondContact N-O 3.46Å; W64-C72 PolarHBondContact O-N 3.24Å; D70-C72 PolarHBondContact O-N 3.45Å
73	T	84.4	Confident	79	Confident	53 Å²	53	59.5 Å²	59.5	33%	0.325	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134.6	175.8	-58.1	0	0	0	0	110.8	T61 M62 K63	T61-T73 HydrophobicContact CG2-CG2 3.87Å; M62-T73 WeakPolarHBondContact O-CA 3.42Å; K63-T73 WeakPolarHBondContact CE-OG1 3.49Å
74	V	86	Confident	78.8	Confident	7 Å²	7	59.8 Å²	59.8	4%	0.042	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	105.4	172.2	-176.5	0	0	0	0	107.5	Y41 M62 W64 E79 L80	Y41-V74 HydrophobicContact CD2-CG1 4.21Å; Y41-V74 HydrophobicContact CE2-CG1 4.21Å; M62-V74 HydrophobicContact CB-CB 4.3Å; M62-V74 PolarHBondContact O-N 2.82Å; W64-V74 HydrophobicContact CB-CG2 3.84Å; V74-E79 HydrophobicContact CG1-CB 4.42Å; V74-L80 HydrophobicContact CG1-CB 3.97Å
75	S	84.4	Confident	78.7	Confident	68 Å²	68	64.1 Å²	64.1	48%	0.476	34%	0.337	S	S	.	.			trans	-126.4	-3.1	-175.1	70.8	0	0	0	0	114.1	Y41 E79	Y41-S75 VanDerWaalsContact CE2-C 3.44Å; Y41-S75 VanDerWaalsContact CZ-C 3.4Å; Y41-S75 WeakPolarHBondContact OH-CA 3.13Å; Y41-S75 PolarHBondContact OH-O 2.62Å; S75-E79 VanDerWaalsContact CA-OE2 3.31Å; S75-E79 WeakPolarHBondContact CA-OE2 3.49Å; S75-E79 WeakPolarHBondContact CB-OE2 3.38Å; S75-E79 PolarHBondContact N-OE2 2.9Å; S75-E79 PolarHBondContact OG-OE2 3.37Å
76	S	87.3	Confident	78.6	Confident	41 Å²	41	64.6 Å²	64.6	29%	0.287	34%	0.339	S	S	.	.	S	Bend	trans	-150.1	162.6	-174.7	64.4	0	0	0	0	112.4	L78 E79 L80	S76-L78 VanDerWaalsContact C-N 3.26Å; S76-L78 PolarHBondContact O-N 3.26Å; S76-E79 PolarHBondContact N-OE2 2.87Å; S76-E79 PolarHBondContact O-N 3.24Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.87Å; S76-E79 PolarHBondContact OG-OE2 3.4Å; S76-L80 PolarHBondContact O-N 2.7Å; S76-L80 VanDerWaalsContact O-N 3.13Å
77	Q	89.5	Confident	79.1	Confident	61 Å²	61	63.6 Å²	63.6	29%	0.285	33%	0.333	S	S	.	.	H	α-helix	trans	-54.9	-40.1	173.9	-177.6	62.4	29	0	0	112.6	S40 L80 E81	S40-Q77 VanDerWaalsContact CA-OE1 3.28Å; Q77-L80 PolarHBondContact O-N 2.94Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.41Å; Q77-E81 PolarHBondContact NE2-OE1 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.25Å; Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 2.8Å
78	L	83.7	Confident	80.1	Confident	132 Å²	132	62.3 Å²	62.3	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-66.2	-41	-178.5	-175.1	69	0	0	0	112.4	S76 L80 E81 E82	S76-L78 VanDerWaalsContact C-N 3.26Å; S76-L78 PolarHBondContact O-N 3.26Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-E81 PolarHBondContact O-N 3.43Å; L78-E82 PolarHBondContact O-N 3.43Å
79	E	84.1	Confident	81.1	Confident	77 Å²	77	59.2 Å²	59.2	36%	0.36	32%	0.316	S	S	.	.	H	α-helix	trans	-70.2	-33.6	177.6	-68.4	161.1	148.8	0	0	111.6	V74 S75 S76 A83	V74-E79 HydrophobicContact CG1-CB 4.42Å; S75-E79 VanDerWaalsContact CA-OE2 3.31Å; S75-E79 WeakPolarHBondContact CA-OE2 3.49Å; S75-E79 WeakPolarHBondContact CB-OE2 3.38Å; S75-E79 PolarHBondContact N-OE2 2.9Å; S75-E79 PolarHBondContact OG-OE2 3.37Å; S76-E79 PolarHBondContact N-OE2 2.87Å; S76-E79 PolarHBondContact O-N 3.24Å; S76-E79 VanDerWaalsContact OG-CD 3.27Å; S76-E79 WeakPolarHBondContact OG-CG 3.42Å; S76-E79 PolarHBondContact OG-N 2.87Å; S76-E79 PolarHBondContact OG-OE2 3.4Å; E79-A83 WeakPolarHBondContact O-CB 3.27Å; E79-A83 PolarHBondContact O-N 2.91Å; E79-A83 VanDerWaalsContact O-N 3.08Å
80	L	86.5	Confident	81.7	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-67.5	-46.3	172.9	176.4	57.9	0	0	0	111.6	L44 V74 S76 Q77 L78 E82 A83 L84	L44-L80 HydrophobicContact CB-CD2 4.28Å; L44-L80 HydrophobicContact CD2-CD1 3.58Å; L44-L80 HydrophobicContact CD2-CD2 3.92Å; L44-L80 HydrophobicContact CD2-CG 4.37Å; V74-L80 HydrophobicContact CG1-CB 3.97Å; S76-L80 PolarHBondContact O-N 2.7Å; S76-L80 VanDerWaalsContact O-N 3.13Å; Q77-L80 PolarHBondContact O-N 2.94Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 2.91Å; L80-A83 PolarHBondContact O-N 3.15Å; L80-L84 HydrophobicContact CD1-CD1 4.02Å; L80-L84 HydrophobicContact CD1-CG 4.11Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.07Å; L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.27Å; L80-L84 PolarHBondContact O-N 3.03Å
81	E	86.9	Confident	82.4	Confident	101 Å²	101	64 Å²	64	47%	0.472	33%	0.325	S	S	.	.	H	α-helix	trans	-59.2	-40.5	176.6	-77.1	170.6	-172.6	0	0	111.8	Q77 L78 L84 R85	Q77-E81 WeakPolarHBondContact CG-OE1 3.41Å; Q77-E81 PolarHBondContact NE2-OE1 3.31Å; Q77-E81 WeakPolarHBondContact O-CB 3.25Å; Q77-E81 WeakPolarHBondContact O-CG 3.3Å; Q77-E81 PolarHBondContact O-N 2.8Å; L78-E81 PolarHBondContact O-N 3.43Å; E81-L84 PolarHBondContact O-N 2.9Å; E81-R85 VanDerWaalsContact O-CB 3.29Å; E81-R85 WeakPolarHBondContact O-CB 3.42Å; E81-R85 PolarHBondContact O-N 3.26Å
82	E	81.9	Confident	82.3	Confident	86 Å²	86	65.4 Å²	65.4	40%	0.402	33%	0.331	S	S	.	.	H	α-helix	trans	-68.6	-41.8	176.8	-176.4	62.8	-175.9	0	0	112.6	L78 L80 L84 R85 L86	L78-E82 PolarHBondContact O-N 3.43Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 2.91Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 2.94Å; E82-R85 PolarHBondContact O-N 2.78Å; E82-R85 IonicContact OE1-CZ 3.25Å; E82-R85 IonicContact OE1-NE 3.48Å; E82-R85 IonicContact OE1-NH2 2.81Å; E82-R85 PolarHBondContact OE1-NH2 3.49Å; E82-R85 IonicContact OE2-CZ 3.41Å; E82-R85 IonicContact OE2-NE 3.5Å; E82-R85 PolarHBondContact OE2-NE 2.82Å; E82-R85 IonicContact OE2-NH2 2.69Å; E82-R85 PolarHBondContact OE2-NH2 2.87Å; E82-L86 HydrophobicContact CG-CD1 4.09Å; E82-L86 WeakPolarHBondContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.37Å; E82-L86 PolarHBondContact O-N 2.88Å
83	A	81.9	Confident	82.3	Confident	3 Å²	3	67.1 Å²	67.1	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-38.8	174.9	0	0	0	0	0	112.2	W64 E79 L80 Y87	W64-A83 HydrophobicContact CD2-CB 3.79Å; W64-A83 HydrophobicContact CE3-CB 3.84Å; W64-A83 HydrophobicContact CG-CB 4.08Å; W64-A83 HydrophobicContact CZ3-CB 4.44Å; E79-A83 WeakPolarHBondContact O-CB 3.27Å; E79-A83 PolarHBondContact O-N 2.91Å; E79-A83 VanDerWaalsContact O-N 3.08Å; L80-A83 PolarHBondContact O-N 3.15Å; A83-Y87 WeakPolarHBondContact O-CB 3.14Å; A83-Y87 PolarHBondContact O-N 2.81Å
84	L	84.9	Confident	82.3	Confident	16 Å²	16	66.6 Å²	66.6	8%	0.084	34%	0.338	C	S	.	.	H	α-helix	trans	-68.5	-41.9	174.3	-68.9	172.7	0	0	0	111.9	V20 L80 E81 E82 L86 Y87 E88 L95	V20-L84 HydrophobicContact CB-CD2 4.45Å; V20-L84 HydrophobicContact CG1-CD2 4.04Å; V20-L84 HydrophobicContact CG2-CD2 4.01Å; L80-L84 HydrophobicContact CD1-CD1 4.02Å; L80-L84 HydrophobicContact CD1-CG 4.11Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.07Å; L80-L84 VanDerWaalsContact O-CG 3.28Å; L80-L84 WeakPolarHBondContact O-CG 3.27Å; L80-L84 PolarHBondContact O-N 3.03Å; E81-L84 PolarHBondContact O-N 2.9Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-L84 PolarHBondContact O-N 2.94Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.33Å; L84-Y87 WeakPolarHBondContact O-CB 3.31Å; L84-Y87 PolarHBondContact O-N 3.25Å; L84-E88 WeakPolarHBondContact O-CG 3.28Å; L84-E88 PolarHBondContact O-N 3.04Å; L84-L95 HydrophobicContact CD2-CD2 4.35Å
85	R	83.8	Confident	82.2	Confident	110 Å²	110	66.6 Å²	66.6	42%	0.415	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-39.3	176.1	-168	-163.8	67	67.5	-1.8	112	E81 E82 L89	E81-R85 VanDerWaalsContact O-CB 3.29Å; E81-R85 WeakPolarHBondContact O-CB 3.42Å; E81-R85 PolarHBondContact O-N 3.26Å; E82-R85 PolarHBondContact O-N 2.78Å; E82-R85 IonicContact OE1-CZ 3.25Å; E82-R85 IonicContact OE1-NE 3.48Å; E82-R85 IonicContact OE1-NH2 2.81Å; E82-R85 PolarHBondContact OE1-NH2 3.49Å; E82-R85 IonicContact OE2-CZ 3.41Å; E82-R85 IonicContact OE2-NE 3.5Å; E82-R85 PolarHBondContact OE2-NE 2.82Å; E82-R85 IonicContact OE2-NH2 2.69Å; E82-R85 PolarHBondContact OE2-NH2 2.87Å; R85-L89 VanDerWaalsContact O-CB 3.29Å; R85-L89 WeakPolarHBondContact O-CB 3.48Å; R85-L89 PolarHBondContact O-N 3.47Å
86	L	76.6	Confident	82.3	Confident	35 Å²	35	64.7 Å²	64.7	18%	0.183	32%	0.323	C	S	.	.	H	α-helix	trans	-70.5	-45.5	176.8	-71.2	168.6	0	0	0	111.2	W64 E82 L84 E88 L89 N90	W64-L86 HydrophobicContact CH2-CB 3.96Å; W64-L86 HydrophobicContact CH2-CD1 3.5Å; W64-L86 HydrophobicContact CH2-CG 4.36Å; W64-L86 HydrophobicContact CZ2-CB 4.25Å; W64-L86 HydrophobicContact CZ3-CD1 3.87Å; E82-L86 HydrophobicContact CG-CD1 4.09Å; E82-L86 WeakPolarHBondContact O-CB 3.31Å; E82-L86 WeakPolarHBondContact O-CG 3.37Å; E82-L86 PolarHBondContact O-N 2.88Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.33Å; L86-E88 VanDerWaalsContact C-N 3.28Å; L86-E88 PolarHBondContact O-N 2.73Å; L86-L89 PolarHBondContact O-N 3.39Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L86-N90 VanDerWaalsContact O-CB 3.27Å; L86-N90 WeakPolarHBondContact O-CB 3.4Å; L86-N90 PolarHBondContact O-N 3.22Å; L86-N90 PolarHBondContact O-ND2 3.43Å
87	Y	79.1	Confident	82.4	Confident	15 Å²	15	63 Å²	63	6%	0.059	31%	0.311	C	S	.	.	H	α-helix	trans	-51.7	-44.3	171.3	166	-86.5	0	0	0	112.6	V20 A83 L84 K91 D92 L95	V20-Y87 HydrophobicContact CB-CE1 4.28Å; V20-Y87 HydrophobicContact CG1-CD1 4.17Å; V20-Y87 HydrophobicContact CG1-CD2 4.39Å; V20-Y87 HydrophobicContact CG1-CE1 3.87Å; V20-Y87 HydrophobicContact CG1-CE2 4.07Å; V20-Y87 HydrophobicContact CG1-CG 4.44Å; V20-Y87 HydrophobicContact CG2-CD1 4.34Å; V20-Y87 HydrophobicContact CG2-CE1 3.91Å; A83-Y87 WeakPolarHBondContact O-CB 3.14Å; A83-Y87 PolarHBondContact O-N 2.81Å; L84-Y87 WeakPolarHBondContact O-CB 3.31Å; L84-Y87 PolarHBondContact O-N 3.25Å; Y87-K91 WeakPolarHBondContact O-CA 3.27Å; Y87-K91 PolarHBondContact O-N 3.28Å; Y87-K91 VanDerWaalsContact O-N 3.07Å; Y87-D92 HydrophobicContact CD2-CB 3.59Å; Y87-D92 HydrophobicContact CE2-CB 4.07Å; Y87-D92 WeakPolarHBondContact CE2-O 2.93Å; Y87-D92 HydrophobicContact CG-CB 4.34Å; Y87-D92 PolarHBondContact O-N 2.92Å; Y87-D92 VanDerWaalsContact O-N 3.08Å; Y87-L95 HydrophobicContact CD2-CB 4.04Å; Y87-L95 HydrophobicContact CD2-CD1 4.36Å; Y87-L95 HydrophobicContact CE2-CB 4.42Å; Y87-L95 HydrophobicContact CG-CD1 4.47Å
88	E	82.6	Confident	82.4	Confident	108 Å²	108	60.8 Å²	60.8	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-70.4	-42.2	177	-72.3	-172.6	172.1	0	0	113.3	L84 L86 K91	L84-E88 WeakPolarHBondContact O-CG 3.28Å; L84-E88 PolarHBondContact O-N 3.04Å; L86-E88 VanDerWaalsContact C-N 3.28Å; L86-E88 PolarHBondContact O-N 2.73Å; E88-K91 PolarHBondContact O-N 3.05Å
89	L	78.7	Confident	82.8	Confident	111 Å²	111	54.7 Å²	54.7	58%	0.581	27%	0.268	S	S	*	.	H	α-helix	trans	-63.2	-44.2	179.7	-179.8	64.1	0	0	0	111.7	R85 L86 K91	R85-L89 VanDerWaalsContact O-CB 3.29Å; R85-L89 WeakPolarHBondContact O-CB 3.48Å; R85-L89 PolarHBondContact O-N 3.47Å; L86-L89 PolarHBondContact O-N 3.39Å; L86-L89 VanDerWaalsContact O-N 3.17Å; L89-K91 VanDerWaalsContact C-N 3.33Å
90	N	74.7	Confident	83	Confident	44 Å²	44	52 Å²	52	24%	0.235	26%	0.255	C	S	.	.	H	α-helix	trans	-85.1	-13.2	-174	-56.6	-14.5	0	0	0	111.8	E67 L86	E67-N90 VanDerWaalsContact CG-ND2 3.27Å; E67-N90 WeakPolarHBondContact CG-ND2 3.45Å; E67-N90 VanDerWaalsContact OE1-CG 3.27Å; E67-N90 PolarHBondContact OE1-ND2 3.31Å; E67-N90 PolarHBondContact OE2-ND2 3.04Å; E67-N90 VanDerWaalsContact OE2-ND2 3.07Å; L86-N90 VanDerWaalsContact O-CB 3.27Å; L86-N90 WeakPolarHBondContact O-CB 3.4Å; L86-N90 PolarHBondContact O-N 3.22Å; L86-N90 PolarHBondContact O-ND2 3.43Å
91	K	78.6	Confident	83.1	Confident	183 Å²	183	54.2 Å²	54.2	80%	0.796	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	43.2	-177.5	-53.9	178.6	-178.7	177.1	0	112.4	Y87 E88 L89	Y87-K91 WeakPolarHBondContact O-CA 3.27Å; Y87-K91 PolarHBondContact O-N 3.28Å; Y87-K91 VanDerWaalsContact O-N 3.07Å; E88-K91 PolarHBondContact O-N 3.05Å; L89-K91 VanDerWaalsContact C-N 3.33Å
92	D	73.6	Confident	83.1	Confident	65 Å²	65	50.8 Å²	50.8	35%	0.348	26%	0.257	S	S	.	.			trans	-63.1	143	179.4	-82	-51.2	0	0	0	112	Y87	Y87-D92 HydrophobicContact CD2-CB 3.59Å; Y87-D92 HydrophobicContact CE2-CB 4.07Å; Y87-D92 WeakPolarHBondContact CE2-O 2.93Å; Y87-D92 HydrophobicContact CG-CB 4.34Å; Y87-D92 PolarHBondContact O-N 2.92Å; Y87-D92 VanDerWaalsContact O-N 3.08Å
93	S	78.4	Confident	83.2	Confident	90 Å²	90	50.2 Å²	50.2	63%	0.629	26%	0.259	S	S	*	.	S	Bend	trans	-84.6	-13.5	-179.7	67.3	0	0	0	0	114.1	R21	R21-S93 PolarHBondContact NH1-O 2.92Å
94	E	85.3	Confident	83.2	Confident	42 Å²	42	51.1 Å²	51.1	20%	0.196	27%	0.265	C	S	.	.			trans	-160.8	134.5	172.6	55.7	-172.3	-160.1	0	0	111.4	R21 K23	R21-E94 HydrophobicContact CG-CB 4.33Å; R21-E94 IonicContact CZ-OE2 3.13Å; R21-E94 IonicContact NH1-OE2 2.75Å; R21-E94 PolarHBondContact NH1-OE2 2.83Å; R21-E94 IonicContact NH2-OE2 2.67Å; R21-E94 PolarHBondContact NH2-OE2 2.65Å; R21-E94 CarbonylContact O-C 3.53Å; R21-E94 VanDerWaalsContact O-CA 3.26Å; R21-E94 WeakPolarHBondContact O-CA 3.47Å; K23-E94 HydrophobicContact CD-CG 4.42Å; K23-E94 WeakPolarHBondContact CD-OE1 3.49Å; K23-E94 WeakPolarHBondContact CE-OE1 3.39Å; K23-E94 IonicContact NZ-OE1 3.53Å; K23-E94 PolarHBondContact NZ-OE1 2.85Å
95	L	84.3	Confident	82.8	Confident	6 Å²	6	58.8 Å²	58.8	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.7	168.1	-170.5	78.9	0	0	0	108.6	V20 R21 V22 K23 W64 L84 Y87 I97	V20-L95 HydrophobicContact CG1-CB 4.09Å; V20-L95 HydrophobicContact CG1-CD2 4.47Å; R21-L95 PolarHBondContact O-N 2.8Å; V22-L95 WeakPolarHBondContact CA-O 3.44Å; V22-L95 HydrophobicContact CG2-CB 4.2Å; V22-L95 HydrophobicContact CG2-CD2 4.17Å; K23-L95 PolarHBondContact N-O 2.67Å; W64-L95 VanDerWaalsContact CD1-CD1 3.44Å; W64-L95 HydrophobicContact CG-CD1 4.35Å; L84-L95 HydrophobicContact CD2-CD2 4.35Å; Y87-L95 HydrophobicContact CD2-CB 4.04Å; Y87-L95 HydrophobicContact CD2-CD1 4.36Å; Y87-L95 HydrophobicContact CE2-CB 4.42Å; Y87-L95 HydrophobicContact CG-CD1 4.47Å; L95-I97 HydrophobicContact CD2-CD1 4.02Å; L95-I97 HydrophobicContact CD2-CG1 4.36Å; L95-I97 HydrophobicContact CG-CG1 4.45Å
96	T	86.9	Confident	82.3	Confident	28 Å²	28	60.3 Å²	60.3	17%	0.172	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	126.5	-180	-69	0	0	0	0	111.3	K23 Y25 W64 I65	K23-T96 WeakPolarHBondContact O-CA 3.48Å; Y25-T96 HydrophobicContact CD2-CG2 4.09Å; Y25-T96 HydrophobicContact CE2-CG2 3.63Å; W64-T96 WeakPolarHBondContact CA-O 3.31Å; W64-T96 VanDerWaalsContact CD1-O 3.28Å; I65-T96 HydrophobicContact CB-CG2 4.47Å; I65-T96 HydrophobicContact CG1-CG2 3.88Å; I65-T96 PolarHBondContact N-O 2.84Å
97	I	89.4	Confident	81.9	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.036	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137	179.8	-55.8	-179.5	0	0	0	109.8	V22 K23 A24 Y25 M62 K63 L95 I99	V22-I97 HydrophobicContact CG1-CD1 3.82Å; V22-I97 HydrophobicContact CG1-CG1 4.13Å; K23-I97 PolarHBondContact O-N 3.31Å; A24-I97 CarbonylContact C-O 3.58Å; A24-I97 WeakPolarHBondContact CA-O 3.1Å; Y25-I97 PolarHBondContact N-O 3.23Å; M62-I97 HydrophobicContact CB-CG2 4Å; M62-I97 HydrophobicContact CG-CG2 4.35Å; K63-I97 CarbonylContact O-C 3.54Å; K63-I97 WeakPolarHBondContact O-CA 3.35Å; L95-I97 HydrophobicContact CD2-CD1 4.02Å; L95-I97 HydrophobicContact CD2-CG1 4.36Å; L95-I97 HydrophobicContact CG-CG1 4.45Å; I97-I99 HydrophobicContact CG2-CG1 4.31Å
98	H	88.9	Confident	81	Confident	13 Å²	13	68.4 Å²	68.4	6%	0.06	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.7	169	-70.7	-112.6	0	0	0	109.6	Y25 M62 K63 F100 I118 Y119	Y25-H98 AromaticContact CD2-CE1 3.84Å; Y25-H98 AromaticContact CD2-NE2 3.63Å; Y25-H98 AromaticContact CE2-NE2 3.92Å; Y25-H98 AromaticContact CG-CE1 3.78Å; M62-H98 CarbonylContact C-O 3.44Å; M62-H98 WeakPolarHBondContact CA-O 3.39Å; K63-H98 PolarHBondContact N-O 3.16Å; K63-H98 PolarHBondContact O-N 2.91Å; H98-F100 HydrophobicContact CB-CE2 3.69Å; H98-F100 HydrophobicContact CB-CZ 3.88Å; H98-I118 PolarHBondContact CE1-O 2.95Å; H98-Y119 HydrophobicContact CB-CE1 4.09Å; H98-Y119 AromaticContact CD2-CD1 3.93Å; H98-Y119 AromaticContact CD2-CE1 3.83Å; H98-Y119 AromaticContact CE1-CD1 3.87Å; H98-Y119 AromaticContact CG-CE1 3.65Å; H98-Y119 AromaticContact ND1-CE1 3.84Å; H98-Y119 AromaticContact NE2-CD1 3.79Å
99	I	91.1	Very high	80.5	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.5	-176.2	-58.3	162.2	0	0	0	108.6	A24 Y25 Y26 V48 M54 F60 T61 I97	A24-I99 HydrophobicContact CB-CD1 3.7Å; Y25-I99 PolarHBondContact O-N 2.93Å; Y26-I99 HydrophobicContact CD2-CB 4.09Å; Y26-I99 HydrophobicContact CD2-CG2 3.87Å; Y26-I99 HydrophobicContact CE2-CG2 4.36Å; V48-I99 HydrophobicContact CG1-CD1 3.82Å; V48-I99 HydrophobicContact CG1-CG1 4.27Å; V48-I99 HydrophobicContact CG1-CG2 4.1Å; V48-I99 HydrophobicContact CG2-CD1 4.08Å; M54-I99 HydrophobicContact CE-CG2 3.65Å; F60-I99 HydrophobicContact CD2-CG2 4.24Å; T61-I99 WeakPolarHBondContact O-CA 3.46Å; I97-I99 HydrophobicContact CG2-CG1 4.31Å
100	F	89.7	Confident	80.3	Confident	19 Å²	19	66 Å²	66	8%	0.083	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	178.2	-57	-87.1	0	0	0	109.3	F60 T61 K63 H98 C102 C111 E114 I118 Y119	F60-F100 CarbonylContact C-O 3.3Å; F60-F100 WeakPolarHBondContact CA-O 3.15Å; F60-F100 WeakPolarHBondContact CB-O 3.25Å; T61-F100 PolarHBondContact N-O 3.41Å; T61-F100 PolarHBondContact O-N 3.5Å; K63-F100 HydrophobicContact CB-CE2 4.33Å; K63-F100 HydrophobicContact CD-CE2 4.14Å; K63-F100 HydrophobicContact CG-CD2 4.47Å; K63-F100 HydrophobicContact CG-CE2 4.13Å; H98-F100 HydrophobicContact CB-CE2 3.69Å; H98-F100 HydrophobicContact CB-CZ 3.88Å; F100-C102 PolarHBondContact O-N 3.24Å; F100-C111 HydrophobicContact CB-CB 3.82Å; F100-C111 HydrophobicContact CD1-CB 3.94Å; F100-C111 HydrophobicContact CD2-CB 4.31Å; F100-C111 HydrophobicContact CG-CB 3.74Å; F100-E114 HydrophobicContact CD1-CB 4.3Å; F100-E114 HydrophobicContact CE1-CB 3.75Å; F100-E114 HydrophobicContact CE1-CG 3.97Å; F100-E114 HydrophobicContact CZ-CB 4.13Å; F100-E114 HydrophobicContact CZ-CG 3.83Å; F100-I118 HydrophobicContact CE1-CD1 3.79Å; F100-I118 HydrophobicContact CZ-CD1 3.61Å; F100-Y119 WeakPolarHBondContact CZ-OH 3.36Å
101	P	88.9	Confident	80.7	Confident	51 Å²	51	64 Å²	64	33%	0.331	37%	0.365	S	S	.	.	S	Bend	trans	-76.8	37.9	-178.4	34.3	-37.4	0	0	0	112.8	Y26 M54 Q59	Y26-P101 HydrophobicContact CE2-CB 4.04Å; Y26-P101 HydrophobicContact CE2-CG 4.25Å; M54-P101 HydrophobicContact CE-CB 4.43Å; Q59-P101 CarbonylContact O-C 3.48Å
102	C	85.6	Confident	80.6	Confident	30 Å²	30	59.6 Å²	59.6	20%	0.203	35%	0.354	C	S	.	.	S	Bend	trans	-159.8	168	-173.9	53.2	0	0	0	0	109.9	F60 T61 F100	F60-C102 CarbonylContact C-O 3.56Å; T61-C102 WeakPolarHBondContact CB-O 3.41Å; T61-C102 PolarHBondContact N-O 2.95Å; T61-C102 VanDerWaalsContact N-O 3.15Å; T61-C102 PolarHBondContact OG1-O 3.43Å; F100-C102 PolarHBondContact O-N 3.24Å
103	V	85	Confident	80.4	Confident	73 Å²	73	60 Å²	60	44%	0.442	37%	0.374	S	S	.	.			trans	-114.7	138	173.2	-176.8	0	0	0	0	107.5	Q59 T61	Q59-V103 HydrophobicContact CB-CG2 3.71Å; T61-V103 WeakPolarHBondContact OG1-CA 3.49Å
104	P	80.3	Confident	80.5	Confident	22 Å²	22	57.2 Å²	57.2	14%	0.143	35%	0.351	C	S	.	.			trans	-63.8	145.7	175.4	27.9	-35	0	0	0	110.6	T61 K106 M109	T61-P104 WeakPolarHBondContact OG1-CD 3.29Å; P104-K106 PolarHBondContact O-N 3.34Å; P104-M109 HydrophobicContact CB-CB 4.19Å; P104-M109 WeakPolarHBondContact CB-O 3.29Å
105	E	78.1	Confident	79.7	Confident	178 Å²	178	58.4 Å²	58.4	83%	0.832	36%	0.359	S	S	*	.	S	Bend	trans	-58.2	-26.2	-176.8	-63.5	-173.6	166.3	0	0	113.7
106	K	72.3	Confident	78.6	Confident	142 Å²	142	66.9 Å²	66.9	62%	0.617	40%	0.396	S	S	*	.	S	Bend	trans	-144.4	148.1	177.6	-62.5	178.4	-174.7	167.2	0	109.9	P104 G108 M109	P104-K106 PolarHBondContact O-N 3.34Å; K106-G108 PolarHBondContact O-N 3.01Å; K106-M109 HydrophobicContact CB-CG 4.08Å; K106-M109 WeakPolarHBondContact O-CB 3.27Å; K106-M109 PolarHBondContact O-N 3.39Å; K106-M109 VanDerWaalsContact O-N 3.17Å
107	P	69	Low	77.3	Confident	135 Å²	135	68 Å²	68	88%	0.877	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	136	170.5	-25.7	34.9	0	0	0	111.7	M109	P107-M109 VanDerWaalsContact C-N 3.34Å; P107-M109 PolarHBondContact O-N 2.9Å
108	G	58.6	Low	76	Confident	85 Å²	85	68.8 Å²	68.8	88%	0.876	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-3.6	-178.4	0	0	0	0	0	116.1	K106	K106-G108 PolarHBondContact O-N 3.01Å
109	M	72.9	Confident	74.8	Confident	97 Å²	97	69.8 Å²	69.8	48%	0.478	41%	0.412	S	S	.	.	S	Bend	trans	-85.1	154.9	171	-69.8	-71.1	-72.3	0	0	111.8	P104 K106 P107	P104-M109 HydrophobicContact CB-CB 4.19Å; P104-M109 WeakPolarHBondContact CB-O 3.29Å; K106-M109 HydrophobicContact CB-CG 4.08Å; K106-M109 WeakPolarHBondContact O-CB 3.27Å; K106-M109 PolarHBondContact O-N 3.39Å; K106-M109 VanDerWaalsContact O-N 3.17Å; P107-M109 VanDerWaalsContact C-N 3.34Å; P107-M109 PolarHBondContact O-N 2.9Å
110	P	74.9	Confident	73	Confident	70 Å²	70	78.3 Å²	78.3	46%	0.455	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-65.7	148.9	167.1	28.5	-34.4	0	0	0	111.2	E114	P110-E114 HydrophobicContact CB-CB 4.03Å; P110-E114 HydrophobicContact CB-CG 4.15Å
111	C	82.3	Confident	70.8	Confident	4 Å²	4	89.5 Å²	89.5	3%	0.027	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-68	150.6	170.8	-62.3	0	0	0	0	110.8	F100 G113 E114	F100-C111 HydrophobicContact CB-CB 3.82Å; F100-C111 HydrophobicContact CD1-CB 3.94Å; F100-C111 HydrophobicContact CD2-CB 4.31Å; F100-C111 HydrophobicContact CG-CB 3.74Å; C111-G113 PolarHBondContact O-N 2.87Å; C111-G113 VanDerWaalsContact O-N 3.09Å; C111-E114 HydrophobicContact CB-CB 4.07Å; C111-E114 WeakPolarHBondContact CB-OE2 3.35Å; C111-E114 PolarHBondContact N-OE2 3.45Å; C111-E114 WeakPolarHBondContact O-CB 3.47Å; C111-E114 PolarHBondContact O-N 3.08Å; C111-E114 PolarHBondContact SG-OE2 2.88Å
112	P	76.2	Confident	68.5	Low	89 Å²	89	89.9 Å²	89.9	58%	0.578	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	116.7	168.3	-27.9	35.4	0	0	0	111.8
113	G	70.9	Confident	66.1	Low	74 Å²	74	93.2 Å²	93.2	76%	0.763	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	4.9	-173.5	0	0	0	0	0	115.5	C111	C111-G113 PolarHBondContact O-N 2.87Å; C111-G113 VanDerWaalsContact O-N 3.09Å
114	E	78.9	Confident	64	Low	31 Å²	31	96.6 Å²	96.6	15%	0.145	53%	0.533	C	S	.	.			trans	-89.5	114.8	172.2	-174.8	-174.2	138.9	0	0	110.7	K63 F100 P110 C111 I118 Y119	K63-E114 VanDerWaalsContact CE-OE2 3.23Å; K63-E114 WeakPolarHBondContact CE-OE2 3.44Å; K63-E114 IonicContact NZ-OE1 2.9Å; K63-E114 PolarHBondContact NZ-OE1 2.94Å; K63-E114 IonicContact NZ-OE2 2.69Å; K63-E114 PolarHBondContact NZ-OE2 3.33Å; F100-E114 HydrophobicContact CD1-CB 4.3Å; F100-E114 HydrophobicContact CE1-CB 3.75Å; F100-E114 HydrophobicContact CE1-CG 3.97Å; F100-E114 HydrophobicContact CZ-CB 4.13Å; F100-E114 HydrophobicContact CZ-CG 3.83Å; P110-E114 HydrophobicContact CB-CB 4.03Å; P110-E114 HydrophobicContact CB-CG 4.15Å; C111-E114 HydrophobicContact CB-CB 4.07Å; C111-E114 WeakPolarHBondContact CB-OE2 3.35Å; C111-E114 PolarHBondContact N-OE2 3.45Å; C111-E114 WeakPolarHBondContact O-CB 3.47Å; C111-E114 PolarHBondContact O-N 3.08Å; C111-E114 PolarHBondContact SG-OE2 2.88Å; E114-I118 HydrophobicContact CB-CD1 4.4Å; E114-I118 HydrophobicContact CG-CD1 3.84Å; E114-Y119 HydrophobicContact CG-CE2 4.05Å; E114-Y119 WeakPolarHBondContact CG-OH 3.41Å; E114-Y119 PolarHBondContact OE1-OH 3.24Å
115	D	70.4	Confident	62.1	Low	67 Å²	67	105.7 Å²	105.7	36%	0.358	57%	0.565	S	S	.	*			trans	-116.3	155	174.5	77.7	57.7	0	0	0	111.5	S117 I118	D115-S117 PolarHBondContact O-N 3.15Å; D115-S117 VanDerWaalsContact O-N 3.09Å; D115-S117 WeakPolarHBondContact OD1-CA 3.47Å; D115-S117 WeakPolarHBondContact OD1-CB 3.36Å; D115-S117 PolarHBondContact OD1-N 2.97Å; D115-S117 PolarHBondContact OD1-OG 3.19Å; D115-I118 VanDerWaalsContact O-CG1 3.27Å; D115-I118 WeakPolarHBondContact O-CG1 3.32Å; D115-I118 PolarHBondContact O-N 3.15Å; D115-I118 WeakPolarHBondContact OD1-CG2 3.43Å; D115-I118 PolarHBondContact OD1-N 3.49Å; D115-I118 WeakPolarHBondContact OD2-CG2 3.34Å
116	K	60.4	Low	60.7	Low	185 Å²	185	100.5 Å²	100.5	80%	0.804	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-0.7	-179.8	-68.8	-163.5	175.4	-158.9	0	114.8	R120	K116-R120 PolarHBondContact O-NE 2.98Å
117	S	58.9	Low	60	Low	50 Å²	50	98.6 Å²	98.6	35%	0.35	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-23.9	174.7	85	0	0	0	0	112.6	D115 Y119 R120	D115-S117 PolarHBondContact O-N 3.15Å; D115-S117 VanDerWaalsContact O-N 3.09Å; D115-S117 WeakPolarHBondContact OD1-CA 3.47Å; D115-S117 WeakPolarHBondContact OD1-CB 3.36Å; D115-S117 PolarHBondContact OD1-N 2.97Å; D115-S117 PolarHBondContact OD1-OG 3.19Å; S117-Y119 PolarHBondContact O-N 3.23Å; S117-R120 WeakPolarHBondContact O-CB 3.46Å; S117-R120 PolarHBondContact O-N 3.26Å; S117-R120 VanDerWaalsContact O-N 3.07Å
118	I	62.8	Low	60.1	Low	24 Å²	24	95.2 Å²	95.2	12%	0.123	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.8	179.4	78.8	-164.8	0	0	0	113.3	H98 F100 E114 D115	H98-I118 PolarHBondContact CE1-O 2.95Å; F100-I118 HydrophobicContact CE1-CD1 3.79Å; F100-I118 HydrophobicContact CZ-CD1 3.61Å; E114-I118 HydrophobicContact CB-CD1 4.4Å; E114-I118 HydrophobicContact CG-CD1 3.84Å; D115-I118 VanDerWaalsContact O-CG1 3.27Å; D115-I118 WeakPolarHBondContact O-CG1 3.32Å; D115-I118 PolarHBondContact O-N 3.15Å; D115-I118 WeakPolarHBondContact OD1-CG2 3.43Å; D115-I118 PolarHBondContact OD1-N 3.49Å; D115-I118 WeakPolarHBondContact OD2-CG2 3.34Å
119	Y	62.5	Low	61.1	Low	34 Å²	34	91.2 Å²	91.2	13%	0.133	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-7.3	179.7	-54	-56.4	0	0	0	113.4	I65 P71 H98 F100 E114 S117	I65-Y119 HydrophobicContact CD1-CD1 3.25Å; I65-Y119 HydrophobicContact CD1-CE1 3.48Å; I65-Y119 VanDerWaalsContact CD1-CE1 3.48Å; I65-Y119 HydrophobicContact CD1-CG 4.13Å; I65-Y119 HydrophobicContact CG1-CD1 4.29Å; P71-Y119 HydrophobicContact CB-CD1 4.31Å; P71-Y119 HydrophobicContact CB-CD2 4.28Å; P71-Y119 HydrophobicContact CB-CE1 3.74Å; P71-Y119 HydrophobicContact CB-CE2 3.73Å; P71-Y119 HydrophobicContact CG-CD2 4.05Å; P71-Y119 HydrophobicContact CG-CE1 4.48Å; P71-Y119 HydrophobicContact CG-CE2 3.54Å; H98-Y119 HydrophobicContact CB-CE1 4.09Å; H98-Y119 AromaticContact CD2-CD1 3.93Å; H98-Y119 AromaticContact CD2-CE1 3.83Å; H98-Y119 AromaticContact CE1-CD1 3.87Å; H98-Y119 AromaticContact CG-CE1 3.65Å; H98-Y119 AromaticContact ND1-CE1 3.84Å; H98-Y119 AromaticContact NE2-CD1 3.79Å; F100-Y119 WeakPolarHBondContact CZ-OH 3.36Å; E114-Y119 HydrophobicContact CG-CE2 4.05Å; E114-Y119 WeakPolarHBondContact CG-OH 3.41Å; E114-Y119 PolarHBondContact OE1-OH 3.24Å; S117-Y119 PolarHBondContact O-N 3.23Å
120	R	55.3	Low	61.4	Low	184 Å²	184	88.6 Å²	88.6	69%	0.694	44%	0.442	S	S	*	.	S	Bend	trans	-76.9	135	-179.9	-62.1	-179.1	-168.2	-172.3	1.8	110.7	K116 S117 G122	K116-R120 PolarHBondContact O-NE 2.98Å; S117-R120 WeakPolarHBondContact O-CB 3.46Å; S117-R120 PolarHBondContact O-N 3.26Å; S117-R120 VanDerWaalsContact O-N 3.07Å; R120-G122 PolarHBondContact O-N 3.45Å
121	R	42.1	Very low	61.8	Low	254 Å²	254	86.9 Å²	86.9	96%	0.958	43%	0.426	S	S	*	.			trans	-67.6	103.7	172.4	-62.5	-177.2	-174	-174.8	3	109.4
122	G	42	Very low	61.8	Low	60 Å²	60	87.4 Å²	87.4	62%	0.619	43%	0.431	S	S	*	.			trans	-164.9	151.6	-179.8	0	0	0	0	0	112.7	R120 R124	R120-G122 PolarHBondContact O-N 3.45Å; G122-R124 PolarHBondContact O-N 3.2Å
123	A	34.6	Very low	61.9	Low	100 Å²	100	86.4 Å²	86.4	83%	0.826	43%	0.426	S	S	*	.			trans	-82.2	64.7	-167.7	0	0	0	0	0	114.6
124	R	40.2	Very low	62.1	Low	144 Å²	144	85.8 Å²	85.8	54%	0.543	42%	0.419	S	S	.	.			trans	-66.3	135.8	157.7	-95.8	179.6	169.8	167.5	-2.2	108.9	G122 W126	G122-R124 PolarHBondContact O-N 3.2Å; R124-W126 HydrophobicContact CB-CD2 4.31Å; R124-W126 HydrophobicContact CB-CG 4.38Å; R124-W126 HydrophobicContact CB-CZ2 4.03Å; R124-W126 VanDerWaalsContact CB-NE1 3.26Å; R124-W126 VanDerWaalsContact CD-CZ2 3.48Å; R124-W126 HydrophobicContact CG-CZ2 4.4Å; R124-W126 PolarHBondContact O-N 2.64Å
125	R	39.7	Very low	62.3	Low	212 Å²	212	84.4 Å²	84.4	80%	0.8	41%	0.413	S	S	*	.			trans	-79.1	51	-174.8	-155.9	-178.4	-166.4	-168.8	6.8	112.6	E286	R125-E286 IonicContact CZ-OE2 3.58Å; R125-E286 IonicContact NH1-OE2 2.75Å; R125-E286 PolarHBondContact NH1-OE2 3.29Å; R125-E286 IonicContact NH2-OE2 3.87Å
126	W	49.9	Very low	63	Low	70 Å²	70	81.4 Å²	81.4	27%	0.265	40%	0.397	S	S	.	.			trans	-57.2	142.5	-177.7	-50	93.2	0	0	0	112.5	Y25 I30 R124 K128	Y25-W126 HydrophobicContact CD1-CD2 4.39Å; I30-W126 HydrophobicContact CB-CB 4.41Å; I30-W126 HydrophobicContact CD1-CB 3.64Å; I30-W126 HydrophobicContact CD1-CG 3.79Å; I30-W126 HydrophobicContact CG1-CB 3.61Å; I30-W126 HydrophobicContact CG1-CG 3.9Å; R124-W126 HydrophobicContact CB-CD2 4.31Å; R124-W126 HydrophobicContact CB-CG 4.38Å; R124-W126 HydrophobicContact CB-CZ2 4.03Å; R124-W126 VanDerWaalsContact CB-NE1 3.26Å; R124-W126 VanDerWaalsContact CD-CZ2 3.48Å; R124-W126 HydrophobicContact CG-CZ2 4.4Å; R124-W126 PolarHBondContact O-N 2.64Å; W126-K128 PolarHBondContact O-N 2.67Å; W126-K128 VanDerWaalsContact O-N 3.14Å
127	R	57.3	Low	64	Low	102 Å²	102	72.6 Å²	72.6	39%	0.385	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	108	178.1	-177.8	-168.8	-174.2	-174.2	3.5	110.2	G28 D29 I30 L129	G28-R127 PolarHBondContact O-N 3.49Å; D29-R127 WeakPolarHBondContact CA-O 3.02Å; D29-R127 VanDerWaalsContact OD1-CB 3.31Å; D29-R127 WeakPolarHBondContact OD1-CB 3.23Å; D29-R127 WeakPolarHBondContact OD1-CD 3.28Å; I30-R127 PolarHBondContact N-O 2.94Å; R127-L129 HydrophobicContact CG-CD2 4.46Å; R127-L129 PolarHBondContact O-N 3.16Å
128	K	70.3	Confident	65	Low	64 Å²	64	71.7 Å²	71.7	28%	0.278	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	117.2	178.9	-158.1	169.3	-175.2	173.3	0	112.7	I30 I32 W126 Y130	I30-K128 HydrophobicContact CB-CG 4.45Å; I30-K128 HydrophobicContact CG2-CG 4.18Å; I30-K128 CarbonylContact O-C 3.4Å; I30-K128 VanDerWaalsContact O-CA 3.31Å; I30-K128 WeakPolarHBondContact O-CA 3.47Å; I32-K128 HydrophobicContact CG1-CD 4.44Å; I32-K128 HydrophobicContact CG1-CG 4.21Å; W126-K128 PolarHBondContact O-N 2.67Å; W126-K128 VanDerWaalsContact O-N 3.14Å; K128-Y130 HydrophobicContact CB-CE2 4.49Å; K128-Y130 HydrophobicContact CD-CE2 4.11Å; K128-Y130 VanDerWaalsContact CE-OH 3.28Å; K128-Y130 WeakPolarHBondContact CE-OH 3.38Å; K128-Y130 HydrophobicContact CG-CE2 3.82Å
129	L	79.6	Confident	65.5	Low	1 Å²	1	70.9 Å²	70.9	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	150.4	173.6	-60.3	179.7	0	0	0	110	D29 I30 M31 I32 R127 Y131 F137 Q138 I166	D29-L129 HydrophobicContact CB-CD1 4.4Å; D29-L129 WeakPolarHBondContact OD2-CD1 2.86Å; I30-L129 PolarHBondContact O-N 3.31Å; M31-L129 WeakPolarHBondContact CA-O 3.46Å; I32-L129 PolarHBondContact N-O 3.06Å; R127-L129 HydrophobicContact CG-CD2 4.46Å; R127-L129 PolarHBondContact O-N 3.16Å; L129-Y131 HydrophobicContact CB-CD2 4.38Å; L129-Y131 HydrophobicContact CB-CE2 3.71Å; L129-Y131 HydrophobicContact CD1-CE2 4.23Å; L129-F137 CarbonylContact C-O 3.57Å; L129-F137 WeakPolarHBondContact CA-O 3.49Å; L129-Q138 HydrophobicContact CD2-CB 3.99Å; L129-Q138 HydrophobicContact CD2-CG 4.29Å; L129-I166 HydrophobicContact CD1-CD1 4.29Å; L129-I166 HydrophobicContact CD2-CD1 4.26Å; L129-I166 HydrophobicContact CD2-CG2 4.21Å
130	Y	80.8	Confident	65.8	Low	41 Å²	41	73.3 Å²	73.3	16%	0.161	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	122.1	-179.3	-66.7	-102.3	0	0	0	108.5	I32 K128 F137 Y163	I32-Y130 HydrophobicContact CB-CD1 3.74Å; I32-Y130 HydrophobicContact CB-CE1 4.03Å; I32-Y130 HydrophobicContact CB-CG 4.33Å; I32-Y130 HydrophobicContact CG1-CD1 4.18Å; I32-Y130 HydrophobicContact CG1-CE1 4.01Å; I32-Y130 HydrophobicContact CG2-CD1 4.02Å; I32-Y130 HydrophobicContact CG2-CE1 4.19Å; I32-Y130 CarbonylContact O-C 3.56Å; I32-Y130 WeakPolarHBondContact O-CA 3.45Å; K128-Y130 HydrophobicContact CB-CE2 4.49Å; K128-Y130 HydrophobicContact CD-CE2 4.11Å; K128-Y130 VanDerWaalsContact CE-OH 3.28Å; K128-Y130 WeakPolarHBondContact CE-OH 3.38Å; K128-Y130 HydrophobicContact CG-CE2 3.82Å; Y130-F137 PolarHBondContact N-O 2.75Å; Y130-F137 WeakPolarHBondContact O-CA 3.1Å; Y130-F137 VanDerWaalsContact O-CB 3.27Å; Y130-F137 WeakPolarHBondContact O-CB 3.28Å; Y130-F137 PolarHBondContact O-N 3.22Å; Y130-Y163 HydrophobicContact CD1-CE1 4.26Å; Y130-Y163 AromaticContact CD1-CZ 3.85Å; Y130-Y163 WeakPolarHBondContact CD1-OH 3.4Å; Y130-Y163 HydrophobicContact CD2-CD1 4.14Å; Y130-Y163 AromaticContact CD2-CE1 3.36Å; Y130-Y163 HydrophobicContact CD2-CE1 3.36Å; Y130-Y163 AromaticContact CD2-CZ 3.83Å; Y130-Y163 HydrophobicContact CE1-CE1 4.4Å; Y130-Y163 AromaticContact CE1-CZ 3.97Å; Y130-Y163 WeakPolarHBondContact CE1-OH 3.48Å; Y130-Y163 AromaticContact CE2-CE1 3.55Å; Y130-Y163 HydrophobicContact CE2-CE1 3.55Å; Y130-Y163 AromaticContact CE2-CZ 3.96Å; Y130-Y163 AromaticContact CG-CE1 3.75Å; Y130-Y163 HydrophobicContact CG-CE1 3.75Å; Y130-Y163 AromaticContact CG-CZ 3.77Å; Y130-Y163 VanDerWaalsContact CZ-OH 3.23Å
131	Y	81.9	Confident	66	Low	34 Å²	34	70.5 Å²	70.5	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.6	-175.1	-74.9	-103.3	0	0	0	111.1	M31 I32 M51 L129 H135 A136	M31-Y131 HydrophobicContact CB-CD2 4.18Å; M31-Y131 HydrophobicContact CB-CE2 3.95Å; M31-Y131 HydrophobicContact CE-CE2 3.68Å; M31-Y131 WeakPolarHBondContact CE-OH 3.33Å; M31-Y131 HydrophobicContact CG-CE2 4.29Å; I32-Y131 PolarHBondContact O-N 3.28Å; M51-Y131 HydrophobicContact CB-CD1 4.21Å; M51-Y131 HydrophobicContact CB-CE1 4.08Å; M51-Y131 HydrophobicContact CE-CD2 4.41Å; M51-Y131 HydrophobicContact CG-CD1 3.68Å; M51-Y131 HydrophobicContact CG-CD2 4.24Å; M51-Y131 HydrophobicContact CG-CE1 4.08Å; M51-Y131 HydrophobicContact CG-CG 3.76Å; M51-Y131 WeakPolarHBondContact O-CE1 3.41Å; M51-Y131 PolarHBondContact O-OH 3.29Å; L129-Y131 HydrophobicContact CB-CD2 4.38Å; L129-Y131 HydrophobicContact CB-CE2 3.71Å; L129-Y131 HydrophobicContact CD1-CE2 4.23Å; Y131-H135 WeakPolarHBondContact CA-O 3.19Å; Y131-A136 HydrophobicContact CD1-CB 4.25Å; Y131-A136 HydrophobicContact CE1-CB 3.57Å; Y131-A136 HydrophobicContact CE2-CB 4.28Å
132	A	83.1	Confident	67	Low	15 Å²	15	60 Å²	60	12%	0.124	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	126.5	172	0	0	0	0	0	109.6	G134 H135 F137 H177	A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 3.06Å; A132-H135 PolarHBondContact N-O 2.83Å; A132-H135 WeakPolarHBondContact O-CB 3.32Å; A132-H135 PolarHBondContact O-N 2.95Å; A132-F137 HydrophobicContact CB-CE2 4.28Å; A132-H177 WeakPolarHBondContact CB-O 3.45Å
133	S	77.5	Confident	67.6	Low	69 Å²	69	63.3 Å²	63.3	48%	0.483	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	45.4	173.5	-49.7	0	0	0	0	114.3	H135 V180	S133-H135 VanDerWaalsContact C-N 3.29Å; S133-H135 PolarHBondContact O-CD2 3.45Å; S133-H135 VanDerWaalsContact O-CD2 3.29Å; S133-H135 PolarHBondContact O-N 3.42Å; S133-V180 WeakPolarHBondContact CB-O 3.2Å; S133-V180 PolarHBondContact OG-O 2.92Å
134	G	75.9	Confident	68.5	Low	60 Å²	60	70.4 Å²	70.4	62%	0.619	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	4.8	-178.2	0	0	0	0	0	115.9	A132 C184	A132-G134 VanDerWaalsContact C-N 3.32Å; A132-G134 PolarHBondContact O-N 3.06Å; G134-C184 VanDerWaalsContact O-CB 3.28Å; G134-C184 WeakPolarHBondContact O-CB 3.27Å
135	H	83.3	Confident	69.6	Low	3 Å²	3	73.9 Å²	73.9	1%	0.014	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.4	174.8	-65.5	-100.1	0	0	0	111.9	Y131 A132 S133 F137 C165 C168 L170 V182 C184	Y131-H135 WeakPolarHBondContact CA-O 3.19Å; A132-H135 PolarHBondContact N-O 2.83Å; A132-H135 WeakPolarHBondContact O-CB 3.32Å; A132-H135 PolarHBondContact O-N 2.95Å; S133-H135 VanDerWaalsContact C-N 3.29Å; S133-H135 PolarHBondContact O-CD2 3.45Å; S133-H135 VanDerWaalsContact O-CD2 3.29Å; S133-H135 PolarHBondContact O-N 3.42Å; H135-F137 HydrophobicContact CB-CD2 3.77Å; H135-F137 HydrophobicContact CB-CE1 4.26Å; H135-F137 HydrophobicContact CB-CE2 3.28Å; H135-F137 HydrophobicContact CB-CG 4.44Å; H135-F137 HydrophobicContact CB-CZ 3.54Å; H135-F137 AromaticContact CG-CE2 3.94Å; H135-F137 AromaticContact CG-CZ 3.77Å; H135-F137 PolarHBondContact O-N 2.71Å; H135-C165 HydrophobicContact CB-CB 4.29Å; H135-C165 PolarHBondContact ND1-SG 3.14Å; H135-C165 VanDerWaalsContact ND1-SG 3.41Å; H135-C168 PolarHBondContact CE1-SG 3.39Å; H135-C168 PolarHBondContact ND1-SG 2.9Å; H135-L170 VanDerWaalsContact CE1-CD2 3.47Å; H135-L170 WeakPolarHBondContact CE1-CD2 3.49Å; H135-V182 PolarHBondContact NE2-O 3.17Å; H135-C184 VanDerWaalsContact CE1-CA 3.48Å; H135-C184 WeakPolarHBondContact CE1-CA 3.48Å; H135-C184 PolarHBondContact NE2-N 3.26Å
136	A	84.4	Confident	71.3	Confident	3 Å²	3	64.3 Å²	64.3	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	96	166	0	0	0	0	0	110	Y131 C165 I166	Y131-A136 HydrophobicContact CD1-CB 4.25Å; Y131-A136 HydrophobicContact CE1-CB 3.57Å; Y131-A136 HydrophobicContact CE2-CB 4.28Å; A136-C165 CarbonylContact O-C 3.51Å; A136-C165 WeakPolarHBondContact O-CA 3.44Å; A136-I166 HydrophobicContact CB-CD1 4.04Å; A136-I166 HydrophobicContact CB-CG1 3.73Å; A136-I166 WeakPolarHBondContact O-CG1 3.26Å; A136-I166 PolarHBondContact O-N 2.68Å
137	F	82.6	Confident	72.8	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.7	-179.5	-72	-73	0	0	0	112.9	L129 Y130 A132 H135 Y163 C165 L170 V172 H177 V180	L129-F137 CarbonylContact C-O 3.57Å; L129-F137 WeakPolarHBondContact CA-O 3.49Å; Y130-F137 PolarHBondContact N-O 2.75Å; Y130-F137 WeakPolarHBondContact O-CA 3.1Å; Y130-F137 VanDerWaalsContact O-CB 3.27Å; Y130-F137 WeakPolarHBondContact O-CB 3.28Å; Y130-F137 PolarHBondContact O-N 3.22Å; A132-F137 HydrophobicContact CB-CE2 4.28Å; H135-F137 HydrophobicContact CB-CD2 3.77Å; H135-F137 HydrophobicContact CB-CE1 4.26Å; H135-F137 HydrophobicContact CB-CE2 3.28Å; H135-F137 HydrophobicContact CB-CG 4.44Å; H135-F137 HydrophobicContact CB-CZ 3.54Å; H135-F137 AromaticContact CG-CE2 3.94Å; H135-F137 AromaticContact CG-CZ 3.77Å; H135-F137 PolarHBondContact O-N 2.71Å; F137-Y163 HydrophobicContact CB-CD1 4.24Å; F137-Y163 HydrophobicContact CB-CG 4.07Å; F137-C165 HydrophobicContact CD1-CB 3.97Å; F137-C165 HydrophobicContact CE1-CB 3.82Å; F137-L170 HydrophobicContact CZ-CD2 4.27Å; F137-V172 HydrophobicContact CD1-CG2 4.14Å; F137-V172 HydrophobicContact CE1-CG2 3.72Å; F137-V172 HydrophobicContact CZ-CG2 4Å; F137-H177 HydrophobicContact CD2-CB 4.12Å; F137-H177 HydrophobicContact CE2-CB 4.12Å; F137-V180 HydrophobicContact CE2-CG2 4.34Å; F137-V180 HydrophobicContact CZ-CG2 4Å
138	Q	78.6	Confident	74.2	Confident	31 Å²	31	60.9 Å²	60.9	15%	0.145	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	134	166.3	-166.9	175.4	35.2	0	0	110.2	L129 K140 K164 I166	L129-Q138 HydrophobicContact CD2-CB 3.99Å; L129-Q138 HydrophobicContact CD2-CG 4.29Å; Q138-K140 PolarHBondContact O-N 3.4Å; Q138-K164 PolarHBondContact N-O 2.86Å; Q138-K164 PolarHBondContact O-N 2.99Å; Q138-I166 HydrophobicContact CB-CG2 3.52Å
139	A	73.7	Confident	75	Confident	7 Å²	7	59.8 Å²	59.8	6%	0.058	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.5	171.5	0	0	0	0	0	110.2	R160 G162 Y163	A139-R160 HydrophobicContact CB-CB 3.89Å; A139-R160 HydrophobicContact CB-CG 4.25Å; A139-G162 WeakPolarHBondContact CA-O 3.42Å; A139-Y163 HydrophobicContact CB-CD1 4.04Å; A139-Y163 HydrophobicContact CB-CE1 3.83Å
140	K	68.5	Low	75.4	Confident	85 Å²	85	62.6 Å²	62.6	37%	0.37	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155	-178.8	-70.3	-65.3	-175.6	-174.7	0	111.6	Q138 F142 R160 Q161 G162 K164	Q138-K140 PolarHBondContact O-N 3.4Å; K140-F142 HydrophobicContact CB-CE1 4.04Å; K140-F142 HydrophobicContact CB-CE2 4.43Å; K140-F142 HydrophobicContact CB-CZ 3.93Å; K140-R160 CarbonylContact O-C 3.51Å; K140-R160 WeakPolarHBondContact O-CA 3.49Å; K140-Q161 PolarHBondContact O-N 2.67Å; K140-Q161 VanDerWaalsContact O-N 3.09Å; K140-G162 PolarHBondContact N-O 3.07Å; K140-G162 PolarHBondContact O-N 3.46Å; K140-K164 HydrophobicContact CB-CB 4.47Å; K140-K164 HydrophobicContact CG-CB 4.02Å
141	R	61	Low	75.6	Confident	126 Å²	126	62.5 Å²	62.5	48%	0.475	31%	0.31	S	S	.	.			trans	-81.8	145	159.1	-59.2	-163.9	176.7	-161.9	1.5	107.9	G159 G419	R141-G159 WeakPolarHBondContact CG-O 3.46Å; R141-G419 PolarHBondContact NH1-O 3.45Å
142	F	62.7	Low	75.6	Confident	34 Å²	34	66.1 Å²	66.1	15%	0.149	34%	0.336	C	S	.	.			trans	-123.4	147.4	177.6	-61.5	-69.1	0	0	0	110.5	K140 A146 I155 Q161 K164 L171	K140-F142 HydrophobicContact CB-CE1 4.04Å; K140-F142 HydrophobicContact CB-CE2 4.43Å; K140-F142 HydrophobicContact CB-CZ 3.93Å; F142-A146 HydrophobicContact CB-CB 3.68Å; F142-A146 HydrophobicContact CD1-CB 4.28Å; F142-A146 HydrophobicContact CG-CB 3.94Å; F142-I155 HydrophobicContact CD2-CB 4.32Å; F142-I155 HydrophobicContact CD2-CG2 3.63Å; F142-I155 HydrophobicContact CE2-CD1 4.34Å; F142-I155 HydrophobicContact CE2-CG2 3.99Å; F142-Q161 HydrophobicContact CD2-CB 4.35Å; F142-Q161 PolarHBondContact O-OE1 2.94Å; F142-Q161 VanDerWaalsContact O-OE1 3.05Å; F142-K164 HydrophobicContact CE1-CB 4.08Å; F142-K164 HydrophobicContact CE1-CD 4.38Å; F142-K164 HydrophobicContact CZ-CB 3.92Å; F142-L171 HydrophobicContact CD1-CD2 4.45Å; F142-L171 HydrophobicContact CE1-CD1 4.3Å; F142-L171 HydrophobicContact CE1-CD2 3.51Å; F142-L171 HydrophobicContact CE1-CG 4.46Å; F142-L171 HydrophobicContact CZ-CD2 3.8Å
143	N	54.3	Low	75.4	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	35%	0.354	S	S	*	.			trans	-74.6	173.5	172.3	65.4	21	0	0	0	110.8	R145 A146	N143-R145 PolarHBondContact O-N 3.42Å; N143-A146 PolarHBondContact O-N 2.97Å
144	R	54.3	Low	75.5	Confident	249 Å²	249	74.3 Å²	74.3	94%	0.94	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	23.2	-171.2	-63.5	-176.2	175.8	179.9	-0.5	116.1
145	R	62.3	Low	75.5	Confident	217 Å²	217	71.8 Å²	71.8	82%	0.819	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	6	-177.6	-65.5	-172.2	178.7	179.6	0.2	115.9	N143 H147	N143-R145 PolarHBondContact O-N 3.42Å; R145-H147 PolarHBondContact O-ND1 2.8Å
146	A	74.6	Confident	74.4	Confident	11 Å²	11	81.5 Å²	81.5	9%	0.091	37%	0.369	C	S	.	.			trans	-80.5	137.6	178.5	0	0	0	0	0	113.4	F142 N143 R154 I155 L171	F142-A146 HydrophobicContact CB-CB 3.68Å; F142-A146 HydrophobicContact CD1-CB 4.28Å; F142-A146 HydrophobicContact CG-CB 3.94Å; N143-A146 PolarHBondContact O-N 2.97Å; A146-R154 WeakPolarHBondContact O-CA 3.37Å; A146-I155 HydrophobicContact CB-CB 4.31Å; A146-I155 PolarHBondContact O-N 3.09Å; A146-L171 HydrophobicContact CB-CD1 4.13Å
147	H	82.9	Confident	72.7	Confident	96 Å²	96	82.9 Å²	82.9	44%	0.444	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-121.8	149.2	175.1	-61.3	85.2	0	0	0	109.9	R145 D153 R154	R145-H147 PolarHBondContact O-ND1 2.8Å; H147-D153 WeakPolarHBondContact CA-O 3.36Å; H147-R154 WeakPolarHBondContact NE2-CG 3.48Å
148	C	86.3	Confident	70.6	Confident	3 Å²	3	87.3 Å²	87.3	2%	0.02	41%	0.407	C	S	.	.			trans	-82.7	128.5	178.5	175.3	0	0	0	0	111	I150 T152 D153 I155 H173	C148-I150 PolarHBondContact O-N 2.92Å; C148-I150 PolarHBondContact SG-N 2.91Å; C148-I150 VanDerWaalsContact SG-N 3.37Å; C148-T152 WeakPolarHBondContact O-CA 3.41Å; C148-T152 PolarHBondContact O-N 3.33Å; C148-D153 PolarHBondContact N-O 3.04Å; C148-I155 HydrophobicContact CB-CD1 4.23Å; C148-I155 HydrophobicContact CB-CG1 3.93Å; C148-H173 VanDerWaalsContact CB-CE1 3.41Å; C148-H173 WeakPolarHBondContact CB-CE1 3.42Å; C148-H173 WeakPolarHBondContact CB-ND1 3.24Å
149	A	85.9	Confident	69.2	Low	41 Å²	41	87.1 Å²	87.1	34%	0.339	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.9	178.2	0	0	0	0	0	115.1	L170 L171 V172	A149-L170 HydrophobicContact CB-CD1 3.42Å; A149-L170 VanDerWaalsContact CB-CD1 3.42Å; A149-L170 HydrophobicContact CB-CG 4.21Å; A149-L171 PolarHBondContact N-O 3.15Å; A149-V172 HydrophobicContact CB-CG1 4.45Å
150	I	89.1	Confident	67.9	Low	60 Å²	60	93 Å²	93	31%	0.308	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-60.9	-179.4	-56.5	-57.3	0	0	0	111.5	C148 V172 C176 L179 V180	C148-I150 PolarHBondContact O-N 2.92Å; C148-I150 PolarHBondContact SG-N 2.91Å; C148-I150 VanDerWaalsContact SG-N 3.37Å; I150-V172 HydrophobicContact CG1-CG1 3.91Å; I150-C176 HydrophobicContact CB-CB 4.08Å; I150-C176 HydrophobicContact CG1-CB 4.3Å; I150-C176 HydrophobicContact CG2-CB 4.41Å; I150-L179 HydrophobicContact CG2-CB 4Å; I150-L179 HydrophobicContact CG2-CD1 4.46Å; I150-V180 HydrophobicContact CD1-CB 4.47Å; I150-V180 HydrophobicContact CD1-CG2 3.97Å; I150-V180 HydrophobicContact CG1-CG2 4.08Å
151	C	84.5	Confident	67.7	Low	40 Å²	40	91.3 Å²	91.3	27%	0.27	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-1.5	-179.2	62.1	0	0	0	0	114	D153 H173	C151-D153 PolarHBondContact O-N 2.89Å; C151-H173 PolarHBondContact SG-CE1 2.75Å; C151-H173 PolarHBondContact SG-ND1 2.87Å
152	T	81.5	Confident	68.1	Low	109 Å²	109	85.3 Å²	85.3	67%	0.669	41%	0.405	S	S	*	.			trans	62.5	-16.1	-175.9	70.4	0	0	0	0	116.2	C148	C148-T152 WeakPolarHBondContact O-CA 3.41Å; C148-T152 PolarHBondContact O-N 3.33Å
153	D	80.6	Confident	69.1	Low	95 Å²	95	84.3 Å²	84.3	51%	0.508	40%	0.4	S	S	.	.	S	Bend	trans	-57.5	154.5	173.1	-69.6	-39.8	0	0	0	112.9	H147 C148 C151	H147-D153 WeakPolarHBondContact CA-O 3.36Å; C148-D153 PolarHBondContact N-O 3.04Å; C151-D153 PolarHBondContact O-N 2.89Å
154	R	78.9	Confident	70.3	Confident	161 Å²	161	81.9 Å²	81.9	61%	0.608	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-59.8	141.4	172.4	-71.8	177.4	-179.6	174.3	2.4	111.5	A146 H147 W156 H173	A146-R154 WeakPolarHBondContact O-CA 3.37Å; H147-R154 WeakPolarHBondContact NE2-CG 3.48Å; R154-W156 PolarHBondContact O-N 3.26Å; R154-H173 PolarHBondContact O-CE1 3.41Å; R154-H173 PolarHBondContact O-NE2 2.83Å
155	I	74.8	Confident	71.8	Confident	7 Å²	7	70 Å²	70	4%	0.036	34%	0.338	C	S	.	.			trans	-87.4	101.4	170.5	-57.3	173.2	0	0	0	107.9	F142 A146 C148 Q161 L171	F142-I155 HydrophobicContact CD2-CB 4.32Å; F142-I155 HydrophobicContact CD2-CG2 3.63Å; F142-I155 HydrophobicContact CE2-CD1 4.34Å; F142-I155 HydrophobicContact CE2-CG2 3.99Å; A146-I155 HydrophobicContact CB-CB 4.31Å; A146-I155 PolarHBondContact O-N 3.09Å; C148-I155 HydrophobicContact CB-CD1 4.23Å; C148-I155 HydrophobicContact CB-CG1 3.93Å; I155-Q161 HydrophobicContact CG2-CB 4.01Å; I155-Q161 WeakPolarHBondContact CG2-O 3.47Å; I155-L171 HydrophobicContact CD1-CB 3.9Å
156	W	60.2	Low	72.6	Confident	207 Å²	207	61.5 Å²	61.5	78%	0.784	31%	0.309	S	S	*	.			trans	-137.8	157.6	-179.8	64.4	-84.6	0	0	0	110.8	R154	R154-W156 PolarHBondContact O-N 3.26Å
157	G	50.6	Low	72.9	Confident	33 Å²	33	65.5 Å²	65.5	34%	0.34	33%	0.328	S	S	.	.			trans	145.9	-174.9	-173.6	0	0	0	0	0	112.7	Q161	G157-Q161 WeakPolarHBondContact O-CG 3.24Å; G157-Q161 PolarHBondContact O-NE2 3.42Å
158	L	36.8	Very low	72.9	Confident	93 Å²	93	63.3 Å²	63.3	49%	0.487	32%	0.323	S	S	.	.	S	Bend	trans	-90.1	155.3	178.3	-46.8	176.2	0	0	0	111.2	R418 L467	L158-R418 HydrophobicContact CD1-CB 4.48Å; L158-R418 HydrophobicContact CD1-CG 3.94Å; L158-R418 HydrophobicContact CD2-CB 4.08Å; L158-R418 HydrophobicContact CD2-CG 4.1Å; L158-R418 WeakPolarHBondContact CD2-O 3.46Å; L158-L467 HydrophobicContact CD1-CD1 3.94Å
159	G	49.3	Very low	72.9	Confident	26 Å²	26	68.9 Å²	68.9	27%	0.268	35%	0.347	S	S	.	.	S	Bend	trans	60.9	-144.7	177.1	0	0	0	0	0	114.3	R141 Q161	R141-G159 WeakPolarHBondContact CG-O 3.46Å; G159-Q161 PolarHBondContact O-N 2.94Å
160	R	47.9	Very low	72.9	Confident	131 Å²	131	68.3 Å²	68.3	49%	0.494	34%	0.339	S	S	.	.	S	Bend	trans	-71.1	90.1	175.1	-60.2	-177.8	-175.6	177.1	-0.4	109.4	A139 K140 G162 K174	A139-R160 HydrophobicContact CB-CB 3.89Å; A139-R160 HydrophobicContact CB-CG 4.25Å; K140-R160 CarbonylContact O-C 3.51Å; K140-R160 WeakPolarHBondContact O-CA 3.49Å; R160-G162 VanDerWaalsContact C-N 3.27Å; R160-G162 PolarHBondContact O-N 2.97Å; R160-K174 WeakPolarHBondContact O-CE 3.5Å; R160-K174 PolarHBondContact O-NZ 3.03Å
161	Q	62.7	Low	72.9	Confident	50 Å²	50	67.6 Å²	67.6	23%	0.234	34%	0.335	C	S	.	.			trans	-61.1	-24.7	-168.8	-73	145.4	-20.1	0	0	115.7	K140 F142 I155 G157 G159	K140-Q161 PolarHBondContact O-N 2.67Å; K140-Q161 VanDerWaalsContact O-N 3.09Å; F142-Q161 HydrophobicContact CD2-CB 4.35Å; F142-Q161 PolarHBondContact O-OE1 2.94Å; F142-Q161 VanDerWaalsContact O-OE1 3.05Å; I155-Q161 HydrophobicContact CG2-CB 4.01Å; I155-Q161 WeakPolarHBondContact CG2-O 3.47Å; G157-Q161 WeakPolarHBondContact O-CG 3.24Å; G157-Q161 PolarHBondContact O-NE2 3.42Å; G159-Q161 PolarHBondContact O-N 2.94Å
162	G	69.1	Low	73	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-165.8	177.4	0	0	0	0	0	112.5	A139 K140 R160 V172	A139-G162 WeakPolarHBondContact CA-O 3.42Å; K140-G162 PolarHBondContact N-O 3.07Å; K140-G162 PolarHBondContact O-N 3.46Å; R160-G162 VanDerWaalsContact C-N 3.27Å; R160-G162 PolarHBondContact O-N 2.97Å; G162-V172 WeakPolarHBondContact CA-O 3.46Å
163	Y	83.8	Confident	73	Confident	13 Å²	13	61.5 Å²	61.5	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	-173.9	-74.4	-44.6	0	0	0	110.3	Y130 F137 A139 L171 V172 K174 H177	Y130-Y163 HydrophobicContact CD1-CE1 4.26Å; Y130-Y163 AromaticContact CD1-CZ 3.85Å; Y130-Y163 WeakPolarHBondContact CD1-OH 3.4Å; Y130-Y163 HydrophobicContact CD2-CD1 4.14Å; Y130-Y163 AromaticContact CD2-CE1 3.36Å; Y130-Y163 HydrophobicContact CD2-CE1 3.36Å; Y130-Y163 AromaticContact CD2-CZ 3.83Å; Y130-Y163 HydrophobicContact CE1-CE1 4.4Å; Y130-Y163 AromaticContact CE1-CZ 3.97Å; Y130-Y163 WeakPolarHBondContact CE1-OH 3.48Å; Y130-Y163 AromaticContact CE2-CE1 3.55Å; Y130-Y163 HydrophobicContact CE2-CE1 3.55Å; Y130-Y163 AromaticContact CE2-CZ 3.96Å; Y130-Y163 AromaticContact CG-CE1 3.75Å; Y130-Y163 HydrophobicContact CG-CE1 3.75Å; Y130-Y163 AromaticContact CG-CZ 3.77Å; Y130-Y163 VanDerWaalsContact CZ-OH 3.23Å; F137-Y163 HydrophobicContact CB-CD1 4.24Å; F137-Y163 HydrophobicContact CB-CG 4.07Å; A139-Y163 HydrophobicContact CB-CD1 4.04Å; A139-Y163 HydrophobicContact CB-CE1 3.83Å; Y163-L171 WeakPolarHBondContact O-CA 3.29Å; Y163-V172 PolarHBondContact N-O 3.21Å; Y163-V172 PolarHBondContact O-N 2.83Å; Y163-K174 HydrophobicContact CD2-CB 4.49Å; Y163-K174 HydrophobicContact CD2-CG 4.28Å; Y163-K174 HydrophobicContact CE1-CG 4.43Å; Y163-K174 HydrophobicContact CE2-CB 4.03Å; Y163-K174 HydrophobicContact CE2-CG 3.85Å; Y163-H177 HydrophobicContact CD2-CB 3.73Å; Y163-H177 AromaticContact CD2-CG 3.65Å; Y163-H177 AromaticContact CD2-ND1 3.78Å; Y163-H177 HydrophobicContact CE2-CB 4.33Å; Y163-H177 AromaticContact CE2-CE1 3.74Å; Y163-H177 AromaticContact CE2-CG 3.73Å; Y163-H177 AromaticContact CE2-ND1 3.49Å; Y163-H177 WeakPolarHBondContact CE2-ND1 3.28Å
164	K	81.3	Confident	73	Confident	77 Å²	77	62 Å²	62	34%	0.335	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122	171.6	179.5	167.1	-170.4	177.9	0	108.6	Q138 K140 F142 I166 L170 L171	Q138-K164 PolarHBondContact N-O 2.86Å; Q138-K164 PolarHBondContact O-N 2.99Å; K140-K164 HydrophobicContact CB-CB 4.47Å; K140-K164 HydrophobicContact CG-CB 4.02Å; F142-K164 HydrophobicContact CE1-CB 4.08Å; F142-K164 HydrophobicContact CE1-CD 4.38Å; F142-K164 HydrophobicContact CZ-CB 3.92Å; K164-I166 PolarHBondContact O-N 2.98Å; K164-L170 CarbonylContact C-O 3.47Å; K164-L170 WeakPolarHBondContact CA-O 3.4Å; K164-L171 HydrophobicContact CB-CD2 3.8Å; K164-L171 HydrophobicContact CD-CD2 3.88Å; K164-L171 HydrophobicContact CG-CD2 3.64Å
165	C	84.2	Confident	73	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	126.5	172.8	-178.9	0	0	0	0	108.9	H135 A136 F137 N167 K169 L170	H135-C165 HydrophobicContact CB-CB 4.29Å; H135-C165 PolarHBondContact ND1-SG 3.14Å; H135-C165 VanDerWaalsContact ND1-SG 3.41Å; A136-C165 CarbonylContact O-C 3.51Å; A136-C165 WeakPolarHBondContact O-CA 3.44Å; F137-C165 HydrophobicContact CD1-CB 3.97Å; F137-C165 HydrophobicContact CE1-CB 3.82Å; C165-N167 PolarHBondContact O-N 2.79Å; C165-K169 WeakPolarHBondContact O-CA 3.48Å; C165-K169 PolarHBondContact O-N 3.32Å; C165-K169 VanDerWaalsContact O-N 3.09Å; C165-L170 HydrophobicContact CB-CB 4.11Å; C165-L170 PolarHBondContact N-O 3.4Å
166	I	80.6	Confident	73.4	Confident	39 Å²	39	61.8 Å²	61.8	20%	0.2	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-24.1	-178.5	62.7	168	0	0	0	111.5	L129 A136 Q138 K164 K169	L129-I166 HydrophobicContact CD1-CD1 4.29Å; L129-I166 HydrophobicContact CD2-CD1 4.26Å; L129-I166 HydrophobicContact CD2-CG2 4.21Å; A136-I166 HydrophobicContact CB-CD1 4.04Å; A136-I166 HydrophobicContact CB-CG1 3.73Å; A136-I166 WeakPolarHBondContact O-CG1 3.26Å; A136-I166 PolarHBondContact O-N 2.68Å; Q138-I166 HydrophobicContact CB-CG2 3.52Å; K164-I166 PolarHBondContact O-N 2.98Å; I166-K169 PolarHBondContact O-NZ 3.36Å
167	N	80.9	Confident	74.4	Confident	94 Å²	94	52.7 Å²	52.7	50%	0.503	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-82.6	179.4	-61.1	-15.8	0	0	0	110.3	C165 K169	C165-N167 PolarHBondContact O-N 2.79Å; N167-K169 VanDerWaalsContact C-N 3.29Å; N167-K169 WeakPolarHBondContact O-CD 3.38Å; N167-K169 VanDerWaalsContact O-CE 3.28Å; N167-K169 WeakPolarHBondContact O-CE 3.44Å; N167-K169 PolarHBondContact O-N 2.89Å
168	C	82.4	Confident	75.8	Confident	50 Å²	50	56 Å²	56	34%	0.338	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.1	-174.7	69.7	0	0	0	0	115.6	H135 L170 C184	H135-C168 PolarHBondContact CE1-SG 3.39Å; H135-C168 PolarHBondContact ND1-SG 2.9Å; C168-L170 PolarHBondContact O-N 3.17Å; C168-L170 VanDerWaalsContact O-N 3.14Å; C168-L170 VanDerWaalsContact SG-CB 3.56Å; C168-C184 VanDerWaalsContact SG-SG 3.64Å
169	K	85.8	Confident	78.1	Confident	120 Å²	120	56.7 Å²	56.7	52%	0.522	27%	0.271	S	S	.	.			trans	64.5	9.3	179.4	-40.7	-52.1	175.3	-171	0	115.9	C165 I166 N167 L171	C165-K169 WeakPolarHBondContact O-CA 3.48Å; C165-K169 PolarHBondContact O-N 3.32Å; C165-K169 VanDerWaalsContact O-N 3.09Å; I166-K169 PolarHBondContact O-NZ 3.36Å; N167-K169 VanDerWaalsContact C-N 3.29Å; N167-K169 WeakPolarHBondContact O-CD 3.38Å; N167-K169 VanDerWaalsContact O-CE 3.28Å; N167-K169 WeakPolarHBondContact O-CE 3.44Å; N167-K169 PolarHBondContact O-N 2.89Å; K169-L171 VanDerWaalsContact O-CD2 3.26Å; K169-L171 WeakPolarHBondContact O-CD2 3.49Å
170	L	86.8	Confident	79.7	Confident	30 Å²	30	55.5 Å²	55.5	16%	0.157	26%	0.259	C	S	.	.			trans	-50.6	136.1	174.6	-172.7	69	0	0	0	112	H135 F137 A149 K164 C165 C168 V172 V180	H135-L170 VanDerWaalsContact CE1-CD2 3.47Å; H135-L170 WeakPolarHBondContact CE1-CD2 3.49Å; F137-L170 HydrophobicContact CZ-CD2 4.27Å; A149-L170 HydrophobicContact CB-CD1 3.42Å; A149-L170 VanDerWaalsContact CB-CD1 3.42Å; A149-L170 HydrophobicContact CB-CG 4.21Å; K164-L170 CarbonylContact C-O 3.47Å; K164-L170 WeakPolarHBondContact CA-O 3.4Å; C165-L170 HydrophobicContact CB-CB 4.11Å; C165-L170 PolarHBondContact N-O 3.4Å; C168-L170 PolarHBondContact O-N 3.17Å; C168-L170 VanDerWaalsContact O-N 3.14Å; C168-L170 VanDerWaalsContact SG-CB 3.56Å; L170-V172 HydrophobicContact CG-CG1 4.47Å; L170-V180 HydrophobicContact CD2-CG1 4.03Å; L170-V180 HydrophobicContact CD2-CG2 4.49Å
171	L	88.2	Confident	81.2	Confident	44 Å²	44	55.5 Å²	55.5	23%	0.23	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	125.9	-175.3	-54.8	-172.2	0	0	0	111.5	F142 A146 A149 I155 Y163 K164 K169	F142-L171 HydrophobicContact CD1-CD2 4.45Å; F142-L171 HydrophobicContact CE1-CD1 4.3Å; F142-L171 HydrophobicContact CE1-CD2 3.51Å; F142-L171 HydrophobicContact CE1-CG 4.46Å; F142-L171 HydrophobicContact CZ-CD2 3.8Å; A146-L171 HydrophobicContact CB-CD1 4.13Å; A149-L171 PolarHBondContact N-O 3.15Å; I155-L171 HydrophobicContact CD1-CB 3.9Å; Y163-L171 WeakPolarHBondContact O-CA 3.29Å; K164-L171 HydrophobicContact CB-CD2 3.8Å; K164-L171 HydrophobicContact CD-CD2 3.88Å; K164-L171 HydrophobicContact CG-CD2 3.64Å; K169-L171 VanDerWaalsContact O-CD2 3.26Å; K169-L171 WeakPolarHBondContact O-CD2 3.49Å
172	V	86.9	Confident	81.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.3	178.8	-61	0	0	0	0	112.2	F137 A149 I150 G162 Y163 L170 C176 H177 V180	F137-V172 HydrophobicContact CD1-CG2 4.14Å; F137-V172 HydrophobicContact CE1-CG2 3.72Å; F137-V172 HydrophobicContact CZ-CG2 4Å; A149-V172 HydrophobicContact CB-CG1 4.45Å; I150-V172 HydrophobicContact CG1-CG1 3.91Å; G162-V172 WeakPolarHBondContact CA-O 3.46Å; Y163-V172 PolarHBondContact N-O 3.21Å; Y163-V172 PolarHBondContact O-N 2.83Å; L170-V172 HydrophobicContact CG-CG1 4.47Å; V172-C176 HydrophobicContact CB-CB 4.33Å; V172-H177 HydrophobicContact CG2-CB 3.72Å; V172-V180 HydrophobicContact CG1-CG2 3.93Å
173	H	82.2	Confident	82.3	Confident	22 Å²	22	61 Å²	61	10%	0.102	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	158.2	168.3	-61.6	99.1	0	0	0	111.2	C148 C151 R154 K175 C176 H177	C148-H173 VanDerWaalsContact CB-CE1 3.41Å; C148-H173 WeakPolarHBondContact CB-CE1 3.42Å; C148-H173 WeakPolarHBondContact CB-ND1 3.24Å; C151-H173 PolarHBondContact SG-CE1 2.75Å; C151-H173 PolarHBondContact SG-ND1 2.87Å; R154-H173 PolarHBondContact O-CE1 3.41Å; R154-H173 PolarHBondContact O-NE2 2.83Å; H173-K175 HydrophobicContact CB-CG 3.99Å; H173-K175 PolarHBondContact O-N 3.44Å; H173-C176 HydrophobicContact CB-CB 4.16Å; H173-C176 PolarHBondContact O-N 2.63Å; H173-H177 PolarHBondContact O-N 2.73Å
174	K	78.8	Confident	82.2	Confident	104 Å²	104	62.3 Å²	62.3	45%	0.452	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.8	169.7	-78	177.1	165.5	171.8	0	113.1	R160 Y163 C176 H177	R160-K174 WeakPolarHBondContact O-CE 3.5Å; R160-K174 PolarHBondContact O-NZ 3.03Å; Y163-K174 HydrophobicContact CD2-CB 4.49Å; Y163-K174 HydrophobicContact CD2-CG 4.28Å; Y163-K174 HydrophobicContact CE1-CG 4.43Å; Y163-K174 HydrophobicContact CE2-CB 4.03Å; Y163-K174 HydrophobicContact CE2-CG 3.85Å; K174-C176 VanDerWaalsContact C-N 3.31Å; K174-C176 PolarHBondContact O-N 3.02Å; K174-H177 PolarHBondContact O-CE1 3.22Å; K174-H177 PolarHBondContact O-ND1 3.28Å
175	K	79.9	Confident	81.5	Confident	159 Å²	159	61.6 Å²	61.6	69%	0.691	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-19.7	176.4	65.8	178.7	-177.1	176.1	0	114.7	H173	H173-K175 HydrophobicContact CB-CG 3.99Å; H173-K175 PolarHBondContact O-N 3.44Å
176	C	82.2	Confident	80.2	Confident	6 Å²	6	69.4 Å²	69.4	4%	0.041	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-14	-170.8	-66.9	0	0	0	0	114.8	I150 V172 H173 K174 K178 L179	I150-C176 HydrophobicContact CB-CB 4.08Å; I150-C176 HydrophobicContact CG1-CB 4.3Å; I150-C176 HydrophobicContact CG2-CB 4.41Å; V172-C176 HydrophobicContact CB-CB 4.33Å; H173-C176 HydrophobicContact CB-CB 4.16Å; H173-C176 PolarHBondContact O-N 2.63Å; K174-C176 VanDerWaalsContact C-N 3.31Å; K174-C176 PolarHBondContact O-N 3.02Å; C176-K178 VanDerWaalsContact C-N 3.31Å; C176-K178 PolarHBondContact O-N 3.09Å; C176-L179 WeakPolarHBondContact O-CB 3.34Å; C176-L179 PolarHBondContact O-N 3.13Å
177	H	82.5	Confident	78.5	Confident	16 Å²	16	73.4 Å²	73.4	7%	0.074	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-60.9	-35.8	-177.4	73.3	-61.4	0	0	0	114.2	A132 F137 Y163 V172 H173 K174 L179 V180	A132-H177 WeakPolarHBondContact CB-O 3.45Å; F137-H177 HydrophobicContact CD2-CB 4.12Å; F137-H177 HydrophobicContact CE2-CB 4.12Å; Y163-H177 HydrophobicContact CD2-CB 3.73Å; Y163-H177 AromaticContact CD2-CG 3.65Å; Y163-H177 AromaticContact CD2-ND1 3.78Å; Y163-H177 HydrophobicContact CE2-CB 4.33Å; Y163-H177 AromaticContact CE2-CE1 3.74Å; Y163-H177 AromaticContact CE2-CG 3.73Å; Y163-H177 AromaticContact CE2-ND1 3.49Å; Y163-H177 WeakPolarHBondContact CE2-ND1 3.28Å; V172-H177 HydrophobicContact CG2-CB 3.72Å; H173-H177 PolarHBondContact O-N 2.73Å; K174-H177 PolarHBondContact O-CE1 3.22Å; K174-H177 PolarHBondContact O-ND1 3.28Å; H177-L179 PolarHBondContact O-N 2.89Å; H177-V180 WeakPolarHBondContact O-CB 3.46Å; H177-V180 VanDerWaalsContact O-CG2 3.28Å; H177-V180 WeakPolarHBondContact O-CG2 3.46Å; H177-V180 PolarHBondContact O-N 2.96Å
178	K	80.1	Confident	76.8	Confident	101 Å²	101	74.4 Å²	74.4	44%	0.439	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-65.9	-14.3	174.3	-65.8	-162.7	172.8	-161.3	0	114	H34 C176	H34-K178 PolarHBondContact CD2-NZ 2.99Å; H34-K178 WeakPolarHBondContact CE1-CE 3.44Å; H34-K178 PolarHBondContact CE1-NZ 2.86Å; H34-K178 PolarHBondContact NE2-NZ 3.44Å; C176-K178 VanDerWaalsContact C-N 3.31Å; C176-K178 PolarHBondContact O-N 3.09Å
179	L	83.6	Confident	74.7	Confident	108 Å²	108	79.6 Å²	79.6	57%	0.565	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-98.7	7.1	-179.4	-55	177.1	0	0	0	112.3	I150 C176 H177 T181	I150-L179 HydrophobicContact CG2-CB 4Å; I150-L179 HydrophobicContact CG2-CD1 4.46Å; C176-L179 WeakPolarHBondContact O-CB 3.34Å; C176-L179 PolarHBondContact O-N 3.13Å; H177-L179 PolarHBondContact O-N 2.89Å; L179-T181 PolarHBondContact O-N 3.14Å
180	V	84	Confident	72.4	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.012	43%	0.428	C	S	.	.			trans	-75.3	110.7	177.3	177.1	0	0	0	0	109	S133 F137 I150 L170 V172 H177	S133-V180 WeakPolarHBondContact CB-O 3.2Å; S133-V180 PolarHBondContact OG-O 2.92Å; F137-V180 HydrophobicContact CE2-CG2 4.34Å; F137-V180 HydrophobicContact CZ-CG2 4Å; I150-V180 HydrophobicContact CD1-CB 4.47Å; I150-V180 HydrophobicContact CD1-CG2 3.97Å; I150-V180 HydrophobicContact CG1-CG2 4.08Å; L170-V180 HydrophobicContact CD2-CG1 4.03Å; L170-V180 HydrophobicContact CD2-CG2 4.49Å; V172-V180 HydrophobicContact CG1-CG2 3.93Å; H177-V180 WeakPolarHBondContact O-CB 3.46Å; H177-V180 VanDerWaalsContact O-CG2 3.28Å; H177-V180 WeakPolarHBondContact O-CG2 3.46Å; H177-V180 PolarHBondContact O-N 2.96Å
181	T	78.3	Confident	69.6	Low	131 Å²	131	89.7 Å²	89.7	80%	0.804	46%	0.46	S	S	*	.			trans	-100.9	-4	176.4	53.4	0	0	0	0	113.5	L179	L179-T181 PolarHBondContact O-N 3.14Å
182	V	78.4	Confident	67.1	Low	52 Å²	52	93.4 Å²	93.4	32%	0.315	49%	0.487	S	S	.	.	S	Bend	trans	-94.2	124.5	-177.9	-177.6	0	0	0	0	109.8	H135 M188	H135-V182 PolarHBondContact NE2-O 3.17Å; V182-M188 HydrophobicContact CG1-CE 4.4Å; V182-M188 HydrophobicContact CG2-CE 4.03Å
183	E	77.9	Confident	64.5	Low	112 Å²	112	101.4 Å²	101.4	52%	0.523	53%	0.528	S	S	.	.			trans	-57.5	143.3	175.7	-67.2	166.9	-174.7	0	0	112.9	G185 R186	E183-G185 PolarHBondContact O-N 2.65Å; E183-R186 VanDerWaalsContact CD-NH2 3.28Å; E183-R186 IonicContact OE1-NH2 2.68Å; E183-R186 PolarHBondContact OE1-NH2 3.35Å; E183-R186 IonicContact OE2-CZ 3.28Å; E183-R186 IonicContact OE2-NE 3.65Å; E183-R186 PolarHBondContact OE2-NE 3.29Å; E183-R186 IonicContact OE2-NH2 3.53Å; E183-R186 PolarHBondContact OE2-NH2 3.02Å
184	C	80.5	Confident	62.2	Low	42 Å²	42	108.9 Å²	108.9	28%	0.284	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.6	114.2	177.3	-179.2	0	0	0	0	111.6	G134 H135 C168	G134-C184 VanDerWaalsContact O-CB 3.28Å; G134-C184 WeakPolarHBondContact O-CB 3.27Å; H135-C184 VanDerWaalsContact CE1-CA 3.48Å; H135-C184 WeakPolarHBondContact CE1-CA 3.48Å; H135-C184 PolarHBondContact NE2-N 3.26Å; C168-C184 VanDerWaalsContact SG-SG 3.64Å
185	G	66.9	Low	60.1	Low	62 Å²	62	109.9 Å²	109.9	64%	0.639	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	123.4	-11.1	172	0	0	0	0	0	115.7	E183	E183-G185 PolarHBondContact O-N 2.65Å
186	R	58	Low	57.6	Low	163 Å²	163	106 Å²	106	62%	0.615	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-77	129.5	172.9	-60.4	-171.4	-171.8	-156.7	5.8	110.7	E183	E183-R186 VanDerWaalsContact CD-NH2 3.28Å; E183-R186 IonicContact OE1-NH2 2.68Å; E183-R186 PolarHBondContact OE1-NH2 3.35Å; E183-R186 IonicContact OE2-CZ 3.28Å; E183-R186 IonicContact OE2-NE 3.65Å; E183-R186 PolarHBondContact OE2-NE 3.29Å; E183-R186 IonicContact OE2-NH2 3.53Å; E183-R186 PolarHBondContact OE2-NH2 3.02Å
187	P	43.6	Very low	55	Low	124 Å²	124	112.3 Å²	112.3	81%	0.805	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-71	132	177.8	27.9	-33.4	0	0	0	111.3
188	M	46.6	Very low	52.4	Low	115 Å²	115	121 Å²	121	57%	0.567	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-83.4	121.2	174.1	-74.7	-170.3	150.7	0	0	110.9	V182	V182-M188 HydrophobicContact CG1-CE 4.4Å; V182-M188 HydrophobicContact CG2-CE 4.03Å
189	I	38.1	Very low	49.9	Very low	158 Å²	158	121.1 Å²	121.1	81%	0.81	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-78.2	117.8	169.2	-58.2	172.8	0	0	0	107.8
190	Q	36.5	Very low	47.2	Very low	185 Å²	185	120.4 Å²	120.4	86%	0.864	68%	0.684	S	S	*	*			trans	-102.3	113.2	165	-76.7	-175	-16.7	0	0	108.9
191	E	28.5	Very low	44.6	Very low	178 Å²	178	128.1 Å²	128.1	83%	0.832	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-78.8	131.7	163.5	-69	-164.4	157.8	0	0	109.9
192	P	35.2	Very low	42.2	Very low	122 Å²	122	129 Å²	129	79%	0.792	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-91.1	124.7	178.6	32.2	-29.9	0	0	0	112.3
193	I	33.4	Very low	39.8	Very low	167 Å²	167	133.4 Å²	133.4	86%	0.856	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-84.1	125.2	168.7	-61.9	173.6	0	0	0	109.1
194	M	33.7	Very low	38	Very low	179 Å²	179	133.3 Å²	133.3	88%	0.882	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-77.8	155.8	175.5	-64.7	-163.7	-175.2	0	0	112.8
195	P	33.8	Very low	35.6	Very low	125 Å²	125	135.7 Å²	135.7	81%	0.812	77%	0.772	S	S	*	*				-144.8	151.8	128.7	36	-21.8	0	0	0	115.7
196	G	27.5	Very low	33.8	Very low	79 Å²	79	138.8 Å²	138.8	81%	0.814	77%	0.774	S	S	*	*			trans	94.9	95	135.3	0	0	0	0	0	119.1
197	T	27	Very low	32.6	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	78%	0.776	S	S	*	*			trans	-53.8	135.1	169.1	-36.4	0	0	0	0	115
198	Q	28.3	Very low	31.9	Very low	200 Å²	200	139.8 Å²	139.8	94%	0.935	78%	0.775	S	S	*	*				-166.6	159.6	119.4	-103.9	177.2	49.1	0	0	113.3
199	S	27.3	Very low	31	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	78%	0.782	S	S	*	*			trans	-110.3	148	-155.5	172.3	0	0	0	0	113.2
200	S	28.1	Very low	31	Very low	94 Å²	94	135.5 Å²	135.5	66%	0.657	78%	0.778	S	S	*	*				-177.8	119.5	125.9	50.7	0	0	0	0	114.1
201	H	29.7	Very low	30.6	Very low	163 Å²	163	134.9 Å²	134.9	76%	0.755	78%	0.776	S	S	*	*			trans	58.9	144.2	139.8	-56.2	-50.7	0	0	0	120.8
202	L	28.1	Very low	30.6	Very low	151 Å²	151	132.5 Å²	132.5	79%	0.791	77%	0.774	S	S	*	*			cis	-157.6	153.7	-6	-108.9	161.6	0	0	0	109.7
203	D	26.4	Very low	30.2	Very low	144 Å²	144	134.7 Å²	134.7	77%	0.77	77%	0.77	S	S	*	*			trans	-57.8	-178.8	174.9	-79.6	-57.3	0	0	0	117.7
204	P	40.9	Very low	29.9	Very low	109 Å²	109	132.1 Å²	132.1	71%	0.708	76%	0.758	S	S	*	*			cis	-139.1	-167.9	-19.3	28.4	-4.9	0	0	0	115
205	A	29.6	Very low	29.6	Very low	92 Å²	92	128.6 Å²	128.6	76%	0.76	75%	0.752	S	S	*	*			trans	84.2	141.3	138.4	0	0	0	0	0	120
206	D	29.8	Very low	29.3	Very low	128 Å²	128	127.5 Å²	127.5	68%	0.684	75%	0.747	S	S	*	*			cis	-160.7	159.9	-20.8	-157.3	6.1	0	0	0	111.9
207	H	32.2	Very low	29.3	Very low	139 Å²	139	135 Å²	135	64%	0.644	75%	0.751	S	S	*	*			trans	46.9	129	147.7	-84.3	-25.3	0	0	0	125.9
208	Q	30.3	Very low	29.3	Very low	168 Å²	168	132.6 Å²	132.6	79%	0.785	74%	0.739	S	S	*	*			trans	85	124.3	134.6	-67	166.5	39	0	0	120.2
209	G	26.8	Very low	29.3	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	73%	0.73	S	S	*	*			trans	-94.6	-141.1	156.7	0	0	0	0	0	110.4
210	P	38.7	Very low	29.1	Very low	114 Å²	114	131 Å²	131	74%	0.74	73%	0.728	S	S	*	*			cis	-140.3	178.7	-8.8	43.8	-27.3	0	0	0	115.2
211	Q	28.3	Very low	29.1	Very low	173 Å²	173	137.6 Å²	137.6	81%	0.808	74%	0.74	S	S	*	*			trans	72.4	157.5	148.8	-79.7	-178.2	5.8	0	0	123.1
212	T	27.1	Very low	29	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	74%	0.744	S	S	*	*			trans	77.5	146.8	166.5	70.5	0	0	0	0	117.8
213	K	27	Very low	29	Very low	167 Å²	167	133.8 Å²	133.8	73%	0.726	75%	0.745	S	S	*	*			cis	178.4	154.8	-34.2	-129.8	175.7	155.8	-102.4	0	106.3
214	D	27.1	Very low	29.1	Very low	113 Å²	113	135 Å²	135	60%	0.604	75%	0.746	S	S	*	*			trans	63.6	100.9	150.1	-57.7	-24.2	0	0	0	121.7
215	S	27.6	Very low	28.5	Very low	106 Å²	106	135.8 Å²	135.8	74%	0.741	74%	0.74	S	S	*	*				96.2	129.4	109	76.2	0	0	0	0	123.5
216	S	28.3	Very low	28.5	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	73%	0.734	S	S	*	*			trans	86.4	127.6	137.7	76.2	0	0	0	0	122
217	R	27.2	Very low	28.4	Very low	238 Å²	238	139.1 Å²	139.1	90%	0.898	74%	0.738	S	S	*	*			trans	49.8	147.2	134.7	-77.7	-179	171.5	168.1	-4.4	120.2
218	S	26.5	Very low	28.1	Very low	85 Å²	85	137.5 Å²	137.5	59%	0.594	75%	0.748	S	S	*	*			cis	178	177.7	-13.2	45	0	0	0	0	107.5
219	L	27.5	Very low	28	Very low	143 Å²	143	140.8 Å²	140.8	75%	0.749	75%	0.753	S	S	*	*			trans	75.6	148.7	168.4	-48	-177.9	0	0	0	115.4
220	D	24.6	Very low	28	Very low	126 Å²	126	142.7 Å²	142.7	67%	0.674	76%	0.756	S	S	*	*			cis	-162.1	156.1	-15.4	-94.5	-23.4	0	0	0	107.7
221	Y	27.8	Very low	27.8	Very low	233 Å²	233	143.1 Å²	143.1	91%	0.914	76%	0.762	S	S	*	*			trans	-163	119.6	143.1	-134.7	-93.1	0	0	0	112.4
222	D	27.2	Very low	27.9	Very low	154 Å²	154	146.3 Å²	146.3	82%	0.824	77%	0.767	S	S	*	*			trans	-84.6	162.4	173.1	-82.6	-50	0	0	0	112.7
223	G	27.9	Very low	28.2	Very low	79 Å²	79	147.2 Å²	147.2	81%	0.814	77%	0.766	S	S	*	*			trans	-174	62.2	-178.3	0	0	0	0	0	116.4
224	E	28.1	Very low	28.5	Very low	171 Å²	171	145.6 Å²	145.6	80%	0.799	77%	0.771	S	S	*	*			trans	-52.2	162.3	163.4	-80.7	-176.7	154.8	0	0	113.5
225	E	28.4	Very low	28.6	Very low	124 Å²	124	143.7 Å²	143.7	58%	0.579	78%	0.778	S	S	*	*			cis	-169.4	167.2	17.3	-130.9	-175.3	169	0	0	114.8
226	K	29.6	Very low	28.8	Very low	145 Å²	145	148.7 Å²	148.7	63%	0.63	79%	0.787	S	S	*	*			trans	66.9	112.2	143.1	-82.1	169.8	-171.1	142.1	0	125.9
227	L	28.1	Very low	29.2	Very low	146 Å²	146	148.2 Å²	148.2	76%	0.764	78%	0.783	S	S	*	*				55.6	126.7	113.3	-94.9	120.7	0	0	0	123.3	R229	L227-R229 HydrophobicContact CD2-CG 4.45Å
228	A	26.1	Very low	30.1	Very low	105 Å²	105	142.1 Å²	142.1	87%	0.868	77%	0.774	S	S	*	*			trans	-146.5	129.3	138.8	0	0	0	0	0	111.6
229	R	27.8	Very low	31.7	Very low	236 Å²	236	144.3 Å²	144.3	89%	0.891	78%	0.784	S	S	*	*			trans	-97.2	135.7	169.9	-71.8	167.9	73.4	171.7	3.7	109.3	L227	L227-R229 HydrophobicContact CD2-CG 4.45Å
230	S	27.9	Very low	34	Very low	110 Å²	110	141.4 Å²	141.4	77%	0.769	78%	0.776	S	S	*	*			trans	-150.7	121.2	162.3	-168.9	0	0	0	0	110.8
231	S	33.2	Very low	37.1	Very low	123 Å²	123	137 Å²	137	86%	0.86	75%	0.752	S	S	*	*			trans	-74.8	128.7	171.2	-62.4	0	0	0	0	110.5
232	R	31.9	Very low	40.3	Very low	240 Å²	240	127 Å²	127	91%	0.906	72%	0.719	S	S	*	*			trans	-138	129.7	150.1	-72.5	-166.3	176.2	171	0.1	109.9
233	D	33.4	Very low	43.5	Very low	146 Å²	146	122.1 Å²	122.1	78%	0.781	69%	0.693	S	S	*	*			trans	-80.5	174.8	168.9	-173.7	17.2	0	0	0	109.7
234	T	33.4	Very low	46.7	Very low	133 Å²	133	122.2 Å²	122.2	82%	0.816	69%	0.686	S	S	*	*			trans	77.7	87.8	174.3	67.7	0	0	0	0	116.6
235	G	27.2	Very low	50	Low	74 Å²	74	117.2 Å²	117.2	76%	0.763	67%	0.665	S	S	*	*			trans	-171.7	67	164.3	0	0	0	0	0	108.9	S237	G235-S237 PolarHBondContact O-N 2.96Å
236	K	32.8	Very low	53.2	Low	211 Å²	211	111.5 Å²	111.5	92%	0.917	64%	0.638	S	S	*	*			trans	-59.7	115.3	173.2	-80.6	-172.9	175	-176	0	107.9
237	S	37.3	Very low	56.5	Low	91 Å²	91	108 Å²	108	64%	0.636	63%	0.626	S	S	*	*			trans	-52.9	153.4	160.5	41.1	0	0	0	0	109.6	G235 T239	G235-S237 PolarHBondContact O-N 2.96Å; S237-T239 PolarHBondContact O-N 3.07Å; S237-T239 VanDerWaalsContact O-N 3.15Å
238	P	46.4	Very low	59.8	Low	109 Å²	109	103.6 Å²	103.6	71%	0.708	60%	0.603	S	S	*	*			trans	-53.9	126.8	166.9	24	-31.5	0	0	0	107.5	S240	P238-S240 PolarHBondContact O-N 3.47Å
239	T	59.4	Low	63.1	Low	131 Å²	131	100.3 Å²	100.3	80%	0.804	57%	0.571	S	S	*	*			trans	-59.7	108.1	-173.8	-2.5	0	0	0	0	108.9	S237 L241	S237-T239 PolarHBondContact O-N 3.07Å; S237-T239 VanDerWaalsContact O-N 3.15Å; T239-L241 PolarHBondContact O-N 3.24Å
240	S	74.5	Confident	66.3	Low	83 Å²	83	93 Å²	93	58%	0.58	54%	0.544	S	S	*	.			trans	-61.9	118.8	179	52.6	0	0	0	0	109.1	P238	P238-S240 PolarHBondContact O-N 3.47Å
241	L	90.6	Very high	69.5	Low	34 Å²	34	87.8 Å²	87.8	18%	0.178	51%	0.507	C	S	.	.			trans	-59.7	141.9	172.8	-69.1	168.5	0	0	0	109.8	T239 D245 F246 L265 F314 I577	T239-L241 PolarHBondContact O-N 3.24Å; L241-D245 WeakPolarHBondContact CA-OD2 3.24Å; L241-D245 HydrophobicContact CD2-CB 4.14Å; L241-F246 HydrophobicContact CB-CE2 4.38Å; L241-F246 HydrophobicContact CD1-CZ 4.47Å; L241-L265 HydrophobicContact CD2-CD1 4Å; L241-F314 WeakPolarHBondContact O-CB 3.48Å; L241-F314 WeakPolarHBondContact O-CG 3.07Å; L241-I577 HydrophobicContact CD1-CD1 4.21Å; L241-I577 HydrophobicContact CD1-CG1 4.44Å; L241-I577 HydrophobicContact CG-CD1 4.09Å
242	G	94.4	Very high	72.3	Confident	21 Å²	21	82.6 Å²	82.6	22%	0.216	47%	0.469	C	S	.	.			trans	-135.4	175.9	174.4	0	0	0	0	0	112	A244 D245 F246	G242-A244 PolarHBondContact O-N 2.73Å; G242-D245 PolarHBondContact N-OD2 3.09Å; G242-D245 WeakPolarHBondContact O-CB 3.06Å; G242-D245 PolarHBondContact O-N 3.1Å; G242-F246 WeakPolarHBondContact O-CD2 3.43Å
243	L	95.2	Very high	75	Confident	52 Å²	52	71.7 Å²	71.7	27%	0.272	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-56.9	-30.2	-175.5	-173.3	60	0	0	0	113.4	D245 F246 L248 M274 F314 F321 L555	L243-D245 VanDerWaalsContact C-N 3.26Å; L243-D245 PolarHBondContact O-N 3.47Å; L243-F246 PolarHBondContact O-N 3.47Å; L243-L248 HydrophobicContact CD1-CD2 4.29Å; L243-M274 HydrophobicContact CD1-CE 4.36Å; L243-M274 HydrophobicContact CD1-SD 4.1Å; L243-F314 HydrophobicContact CB-CE2 3.88Å; L243-F314 HydrophobicContact CB-CZ 4.35Å; L243-F314 HydrophobicContact CD1-CE2 4.47Å; L243-F314 HydrophobicContact CD1-CZ 4.39Å; L243-F314 VanDerWaalsContact N-CE2 3.31Å; L243-F321 HydrophobicContact CD1-CD1 4.33Å; L243-F321 HydrophobicContact CD1-CE1 3.81Å; L243-F321 HydrophobicContact CD1-CZ 4.3Å; L243-F321 HydrophobicContact CD2-CE1 4.32Å; L243-F321 HydrophobicContact CD2-CZ 4.06Å; L243-L555 HydrophobicContact CD2-CD1 3.82Å
244	A	95.6	Very high	77.4	Confident	81 Å²	81	71 Å²	71	67%	0.669	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-67.4	-23.1	179	0	0	0	0	0	113.9	G242 F246 K266	G242-A244 PolarHBondContact O-N 2.73Å; A244-F246 PolarHBondContact O-N 3.15Å; A244-K266 PolarHBondContact O-NZ 3.41Å
245	D	96.3	Very high	79.1	Confident	66 Å²	66	66.6 Å²	66.6	35%	0.353	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-76.9	-7.9	179.1	-59.3	-55.1	0	0	0	113	L241 G242 L243 L265 K266	L241-D245 WeakPolarHBondContact CA-OD2 3.24Å; L241-D245 HydrophobicContact CD2-CB 4.14Å; G242-D245 PolarHBondContact N-OD2 3.09Å; G242-D245 WeakPolarHBondContact O-CB 3.06Å; G242-D245 PolarHBondContact O-N 3.1Å; L243-D245 VanDerWaalsContact C-N 3.26Å; L243-D245 PolarHBondContact O-N 3.47Å; D245-L265 HydrophobicContact CB-CD1 4.21Å; D245-K266 VanDerWaalsContact O-CB 3.31Å; D245-K266 WeakPolarHBondContact O-CB 3.32Å; D245-K266 WeakPolarHBondContact O-CG 3.48Å; D245-K266 PolarHBondContact O-N 2.87Å
246	F	97.1	Very high	81	Confident	5 Å²	5	68.4 Å²	68.4	2%	0.022	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.8	-179	-63.1	-90.8	0	0	0	112.1	L241 G242 L243 A244 V263 Q264 L265 K266 Y272 M274 F314 V323	L241-F246 HydrophobicContact CB-CE2 4.38Å; L241-F246 HydrophobicContact CD1-CZ 4.47Å; G242-F246 WeakPolarHBondContact O-CD2 3.43Å; L243-F246 PolarHBondContact O-N 3.47Å; A244-F246 PolarHBondContact O-N 3.15Å; F246-V263 HydrophobicContact CB-CB 4.4Å; F246-V263 HydrophobicContact CD1-CB 4.24Å; F246-V263 HydrophobicContact CD1-CG2 3.81Å; F246-V263 HydrophobicContact CE1-CG2 4.37Å; F246-Q264 CarbonylContact C-O 3.53Å; F246-Q264 VanDerWaalsContact CA-O 3.23Å; F246-Q264 WeakPolarHBondContact CA-O 3.37Å; F246-L265 HydrophobicContact CD1-CB 4.19Å; F246-L265 HydrophobicContact CD1-CD1 4.42Å; F246-L265 HydrophobicContact CE1-CB 3.89Å; F246-L265 HydrophobicContact CE1-CD1 3.99Å; F246-L265 HydrophobicContact CE1-CG 4.42Å; F246-L265 HydrophobicContact CE2-CD1 4.45Å; F246-L265 HydrophobicContact CZ-CD1 4Å; F246-K266 WeakPolarHBondContact O-CE 3.09Å; F246-K266 PolarHBondContact O-NZ 3.28Å; F246-Y272 HydrophobicContact CE1-CD2 4.43Å; F246-M274 HydrophobicContact CB-CE 3.95Å; F246-M274 HydrophobicContact CD1-CE 4.04Å; F246-M274 HydrophobicContact CD2-CE 3.75Å; F246-M274 HydrophobicContact CE2-CE 4.28Å; F246-M274 HydrophobicContact CG-CE 3.63Å; F246-F314 AromaticContact CD2-CE1 4Å; F246-F314 HydrophobicContact CD2-CE1 4Å; F246-F314 HydrophobicContact CD2-CZ 4.16Å; F246-F314 HydrophobicContact CE2-CD1 4.35Å; F246-F314 AromaticContact CE2-CE1 3.53Å; F246-F314 HydrophobicContact CE2-CE1 3.53Å; F246-F314 HydrophobicContact CE2-CZ 4.16Å; F246-F314 HydrophobicContact CZ-CE1 4.31Å; F246-V323 HydrophobicContact CE1-CG1 3.93Å; F246-V323 HydrophobicContact CE1-CG2 4.19Å; F246-V323 HydrophobicContact CE2-CG2 4.26Å; F246-V323 HydrophobicContact CZ-CG1 4.14Å; F246-V323 HydrophobicContact CZ-CG2 3.77Å
247	D	97.4	Very high	82.8	Confident	71 Å²	71	63.5 Å²	63.5	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.6	161.6	-73.9	-48.7	0	0	0	109.6	L249 V263 Q264 K266	D247-L249 HydrophobicContact CB-CD2 4.44Å; D247-V263 CarbonylContact O-C 3.51Å; D247-V263 WeakPolarHBondContact O-CA 3.26Å; D247-Q264 PolarHBondContact N-O 3.09Å; D247-Q264 PolarHBondContact O-N 3.36Å; D247-K266 WeakPolarHBondContact OD1-CE 3.22Å; D247-K266 IonicContact OD1-NZ 3.79Å; D247-K266 PolarHBondContact OD1-NZ 2.95Å; D247-K266 WeakPolarHBondContact OD2-CE 3.1Å; D247-K266 VanDerWaalsContact OD2-CG 3.32Å; D247-K266 WeakPolarHBondContact OD2-CG 3.41Å
248	L	97.2	Very high	85	Confident	53 Å²	53	59.8 Å²	59.8	28%	0.277	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.7	179.2	-50.8	-176	0	0	0	108.8	L243 L261 V263 M274 I553	L243-L248 HydrophobicContact CD1-CD2 4.29Å; L248-L261 HydrophobicContact CD1-CD1 4.31Å; L248-L261 HydrophobicContact CD2-CD1 4.21Å; L248-V263 HydrophobicContact CD2-CG1 3.56Å; L248-M274 HydrophobicContact CD2-SD 4.32Å; L248-I553 HydrophobicContact CB-CG2 3.78Å; L248-I553 WeakPolarHBondContact O-CG2 3.14Å
249	L	95.9	Very high	87.1	Confident	36 Å²	36	55.6 Å²	55.6	19%	0.188	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-35.9	-170.4	-58.6	-176.5	0	0	0	114	D247 L262 Q264 I271 F539 I553	D247-L249 HydrophobicContact CB-CD2 4.44Å; L249-L262 HydrophobicContact CB-CB 4.37Å; L249-L262 HydrophobicContact CB-CD2 4.22Å; L249-L262 HydrophobicContact CB-CG 4.22Å; L249-L262 HydrophobicContact CD1-CD2 4.34Å; L249-L262 HydrophobicContact CD1-CG 4.32Å; L249-L262 PolarHBondContact N-O 2.57Å; L249-Q264 HydrophobicContact CD1-CB 4.06Å; L249-Q264 HydrophobicContact CG-CB 4.46Å; L249-I271 HydrophobicContact CD1-CD1 3.75Å; L249-F539 HydrophobicContact CD1-CE1 4.05Å; L249-F539 HydrophobicContact CD1-CE2 4.39Å; L249-F539 HydrophobicContact CD1-CZ 3.9Å; L249-I553 VanDerWaalsContact O-CD1 3.28Å; L249-I553 WeakPolarHBondContact O-CD1 3.4Å
250	R	95.9	Very high	88.7	Confident	84 Å²	84	50.9 Å²	50.9	32%	0.317	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	156	-175.4	-156.8	48.9	40.4	162.5	3.4	112	I252 L261 L262 L541 T549	R250-I252 HydrophobicContact CB-CG2 4.21Å; R250-I252 HydrophobicContact CG-CG2 4.3Å; R250-L261 CarbonylContact O-C 3.59Å; R250-L261 VanDerWaalsContact O-CA 3.24Å; R250-L261 WeakPolarHBondContact O-CA 3.2Å; R250-L261 WeakPolarHBondContact O-CD2 3.5Å; R250-L262 HydrophobicContact CB-CB 3.85Å; R250-L262 HydrophobicContact CB-CD2 4.34Å; R250-L262 PolarHBondContact N-O 3.34Å; R250-L262 PolarHBondContact O-N 2.91Å; R250-L541 HydrophobicContact CB-CD1 4.42Å; R250-L541 HydrophobicContact CB-CD2 4.28Å; R250-L541 HydrophobicContact CG-CD1 3.89Å; R250-L541 HydrophobicContact CG-CD2 3.88Å; R250-T549 WeakPolarHBondContact CD-O 3.24Å; R250-T549 HydrophobicContact CG-CG2 4.28Å; R250-T549 PolarHBondContact NH1-O 2.99Å
251	V	94.7	Very high	89.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.2	160.9	-174.3	0	0	0	0	107.6	K259 L261 F548 T549 E551 P552	V251-K259 HydrophobicContact CG1-CD 4.42Å; V251-K259 VanDerWaalsContact CG1-CE 3.43Å; V251-K259 HydrophobicContact CG1-CG 4.2Å; V251-L261 HydrophobicContact CB-CD2 4.41Å; V251-L261 HydrophobicContact CG2-CD2 3.82Å; V251-F548 WeakPolarHBondContact CB-O 3.13Å; V251-F548 HydrophobicContact CG1-CB 4.37Å; V251-F548 CarbonylContact O-C 3.52Å; V251-F548 VanDerWaalsContact O-C 3.3Å; V251-T549 WeakPolarHBondContact O-CA 3.2Å; V251-T549 PolarHBondContact O-N 2.88Å; V251-E551 HydrophobicContact CB-CB 3.94Å; V251-E551 HydrophobicContact CG1-CB 4.22Å; V251-E551 HydrophobicContact CG2-CB 3.72Å; V251-P552 WeakPolarHBondContact CG2-O 3.33Å
252	I	92.3	Very high	90.1	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-11.3	-175.6	59	174.5	0	0	0	113.4	R250 V260 L262 A273 Y326 L541 F544	R250-I252 HydrophobicContact CB-CG2 4.21Å; R250-I252 HydrophobicContact CG-CG2 4.3Å; I252-V260 HydrophobicContact CD1-CG1 3.98Å; I252-V260 HydrophobicContact CG1-CB 4.17Å; I252-V260 HydrophobicContact CG1-CG1 3.78Å; I252-V260 PolarHBondContact N-O 3.18Å; I252-L262 HydrophobicContact CD1-CB 4.45Å; I252-L262 HydrophobicContact CG2-CB 3.89Å; I252-A273 HydrophobicContact CD1-CB 4.02Å; I252-Y326 HydrophobicContact CD1-CD2 4.07Å; I252-Y326 HydrophobicContact CD1-CE2 3.9Å; I252-L541 HydrophobicContact CG2-CD2 3.87Å; I252-F544 HydrophobicContact CB-CD1 3.78Å; I252-F544 HydrophobicContact CB-CE1 3.95Å; I252-F544 HydrophobicContact CB-CG 4.38Å; I252-F544 HydrophobicContact CD1-CE1 4.28Å; I252-F544 HydrophobicContact CG2-CD1 4.36Å; I252-F544 WeakPolarHBondContact O-CD1 3.4Å
253	G	87.8	Confident	90.3	Very high	11 Å²	11	44.3 Å²	44.3	11%	0.113	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	170.1	173.8	0	0	0	0	0	114.6	V260	G253-V260 PolarHBondContact N-O 3.43Å; G253-V260 PolarHBondContact O-N 2.96Å
254	R	84.5	Confident	90.3	Very high	131 Å²	131	44.2 Å²	44.2	49%	0.494	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	136.1	166.5	-73.9	-173.2	177.9	-110	-1.7	110.3	A258 F548 E551	R254-A258 WeakPolarHBondContact CA-O 3.42Å; R254-F548 HydrophobicContact CB-CE1 4Å; R254-F548 HydrophobicContact CG-CD1 4.33Å; R254-F548 HydrophobicContact CG-CE1 4.21Å; R254-E551 IonicContact CZ-OE1 3.61Å; R254-E551 IonicContact CZ-OE2 2.73Å; R254-E551 IonicContact NE-OE1 3.19Å; R254-E551 PolarHBondContact NE-OE1 3.1Å; R254-E551 IonicContact NE-OE2 3.57Å; R254-E551 IonicContact NH2-OE1 3.4Å; R254-E551 PolarHBondContact NH2-OE1 3.23Å; R254-E551 IonicContact NH2-OE2 2.81Å; R254-E551 PolarHBondContact NH2-OE2 2.89Å
255	G	69.7	Low	90.4	Very high	41 Å²	41	40.6 Å²	40.6	42%	0.423	21%	0.214	S	C	.	.			trans	-103.8	-178.9	159.9	0	0	0	0	0	110.8	Y257 A258	G255-Y257 PolarHBondContact O-N 3.39Å; G255-A258 PolarHBondContact N-O 2.75Å
256	S	66.9	Low	90.3	Very high	113 Å²	113	42.2 Å²	42.2	79%	0.79	22%	0.218	S	C	*	.	S	Bend	trans	-58.4	-31.2	179.1	-55.5	0	0	0	0	113.9
257	Y	70.2	Confident	90	Very high	108 Å²	108	49.7 Å²	49.7	42%	0.424	25%	0.25	S	S	.	.	S	Bend	trans	-122.6	-2.5	-174.4	-53.2	-79.4	0	0	0	113.7	G255 L281	G255-Y257 PolarHBondContact O-N 3.39Å; Y257-L281 HydrophobicContact CD1-CD1 4.44Å
258	A	83.3	Confident	89.8	Confident	12 Å²	12	48.3 Å²	48.3	10%	0.099	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.2	-168.3	0	0	0	0	0	113.5	R254 G255 K275 V276 V277	R254-A258 WeakPolarHBondContact CA-O 3.42Å; G255-A258 PolarHBondContact N-O 2.75Å; A258-K275 HydrophobicContact CB-CD 4.31Å; A258-K275 HydrophobicContact CB-CG 3.72Å; A258-V276 VanDerWaalsContact CA-O 3.24Å; A258-V276 WeakPolarHBondContact CA-O 3.41Å; A258-V277 HydrophobicContact CB-CG2 4.06Å
259	K	90.6	Very high	89.6	Confident	21 Å²	21	52.8 Å²	52.8	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.5	164.3	-177.6	169.3	176.7	167.1	0	108.3	V251 V276 E551 P552 Q554	V251-K259 HydrophobicContact CG1-CD 4.42Å; V251-K259 VanDerWaalsContact CG1-CE 3.43Å; V251-K259 HydrophobicContact CG1-CG 4.2Å; K259-V276 PolarHBondContact N-O 2.83Å; K259-V276 WeakPolarHBondContact O-CB 3.33Å; K259-V276 PolarHBondContact O-N 3.02Å; K259-E551 WeakPolarHBondContact CE-OE2 3.41Å; K259-E551 IonicContact NZ-OE2 2.67Å; K259-E551 PolarHBondContact NZ-OE2 3.02Å; K259-P552 PolarHBondContact NZ-O 3.11Å; K259-Q554 PolarHBondContact NZ-O 3.03Å
260	V	93.8	Very high	89.5	Confident	32 Å²	32	55 Å²	55	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.6	179.8	-167.6	0	0	0	0	109.6	I252 G253 A273 M274	I252-V260 HydrophobicContact CD1-CG1 3.98Å; I252-V260 HydrophobicContact CG1-CB 4.17Å; I252-V260 HydrophobicContact CG1-CG1 3.78Å; I252-V260 PolarHBondContact N-O 3.18Å; G253-V260 PolarHBondContact N-O 3.43Å; G253-V260 PolarHBondContact O-N 2.96Å; V260-A273 HydrophobicContact CG1-CB 4.23Å; V260-M274 WeakPolarHBondContact CA-O 3.49Å
261	L	96.5	Very high	89.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	142.4	-178.5	-65.9	164.2	0	0	0	110.5	L248 R250 V251 V263 A273 M274 V276 L555	L248-L261 HydrophobicContact CD1-CD1 4.31Å; L248-L261 HydrophobicContact CD2-CD1 4.21Å; R250-L261 CarbonylContact O-C 3.59Å; R250-L261 VanDerWaalsContact O-CA 3.24Å; R250-L261 WeakPolarHBondContact O-CA 3.2Å; R250-L261 WeakPolarHBondContact O-CD2 3.5Å; V251-L261 HydrophobicContact CB-CD2 4.41Å; V251-L261 HydrophobicContact CG2-CD2 3.82Å; L261-V263 HydrophobicContact CB-CG1 3.97Å; L261-A273 CarbonylContact O-C 3.39Å; L261-A273 WeakPolarHBondContact O-CA 3.43Å; L261-M274 HydrophobicContact CB-CB 4.38Å; L261-M274 PolarHBondContact N-O 3.27Å; L261-M274 PolarHBondContact O-N 3.18Å; L261-V276 HydrophobicContact CD1-CG2 3.99Å; L261-L555 HydrophobicContact CD1-CD2 3.8Å
262	L	97.1	Very high	89.5	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.9	158.8	-173.7	66.1	0	0	0	108.2	L249 R250 I252 I271 Y326 F539 L541	L249-L262 HydrophobicContact CB-CB 4.37Å; L249-L262 HydrophobicContact CB-CD2 4.22Å; L249-L262 HydrophobicContact CB-CG 4.22Å; L249-L262 HydrophobicContact CD1-CD2 4.34Å; L249-L262 HydrophobicContact CD1-CG 4.32Å; L249-L262 PolarHBondContact N-O 2.57Å; R250-L262 HydrophobicContact CB-CB 3.85Å; R250-L262 HydrophobicContact CB-CD2 4.34Å; R250-L262 PolarHBondContact N-O 3.34Å; R250-L262 PolarHBondContact O-N 2.91Å; I252-L262 HydrophobicContact CD1-CB 4.45Å; I252-L262 HydrophobicContact CG2-CB 3.89Å; L262-I271 HydrophobicContact CD1-CG2 3.35Å; L262-I271 HydrophobicContact CG-CG2 4.14Å; L262-Y326 HydrophobicContact CD1-CD1 3.72Å; L262-Y326 HydrophobicContact CD1-CD2 3.55Å; L262-Y326 HydrophobicContact CD1-CE1 3.64Å; L262-Y326 HydrophobicContact CD1-CE2 3.5Å; L262-Y326 VanDerWaalsContact CD1-CE2 3.5Å; L262-Y326 HydrophobicContact CD1-CG 3.67Å; L262-F539 HydrophobicContact CD2-CB 3.74Å; L262-F539 HydrophobicContact CD2-CD1 4.22Å; L262-F539 HydrophobicContact CD2-CD2 4.12Å; L262-F539 HydrophobicContact CD2-CG 3.76Å; L262-L541 HydrophobicContact CD2-CD2 4.2Å
263	V	97.7	Very high	89.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.4	-177.9	-56.8	0	0	0	0	111.7	F246 D247 L248 L261 I271 Y272 M274	F246-V263 HydrophobicContact CB-CB 4.4Å; F246-V263 HydrophobicContact CD1-CB 4.24Å; F246-V263 HydrophobicContact CD1-CG2 3.81Å; F246-V263 HydrophobicContact CE1-CG2 4.37Å; D247-V263 CarbonylContact O-C 3.51Å; D247-V263 WeakPolarHBondContact O-CA 3.26Å; L248-V263 HydrophobicContact CD2-CG1 3.56Å; L261-V263 HydrophobicContact CB-CG1 3.97Å; V263-I271 WeakPolarHBondContact O-CA 3.45Å; V263-Y272 WeakPolarHBondContact CG2-O 3.47Å; V263-Y272 PolarHBondContact N-O 3.11Å; V263-Y272 PolarHBondContact O-N 2.86Å; V263-M274 HydrophobicContact CB-CB 4.45Å; V263-M274 HydrophobicContact CB-CE 4.39Å; V263-M274 HydrophobicContact CG1-CB 3.65Å; V263-M274 HydrophobicContact CG1-CE 3.98Å; V263-M274 HydrophobicContact CG1-CG 4.43Å; V263-M274 HydrophobicContact CG1-SD 3.98Å; V263-M274 HydrophobicContact CG2-CB 3.91Å; V263-M274 HydrophobicContact CG2-CE 4.14Å
264	Q	97	Very high	90.2	Very high	50 Å²	50	53.3 Å²	53.3	23%	0.234	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.8	172	-171.5	171.1	34.3	0	0	110.1	F246 D247 L249 K266 E269 R270 I271	F246-Q264 CarbonylContact C-O 3.53Å; F246-Q264 VanDerWaalsContact CA-O 3.23Å; F246-Q264 WeakPolarHBondContact CA-O 3.37Å; D247-Q264 PolarHBondContact N-O 3.09Å; D247-Q264 PolarHBondContact O-N 3.36Å; L249-Q264 HydrophobicContact CD1-CB 4.06Å; L249-Q264 HydrophobicContact CG-CB 4.46Å; Q264-K266 PolarHBondContact O-N 3.08Å; Q264-E269 WeakPolarHBondContact CG-O 3.14Å; Q264-E269 PolarHBondContact NE2-O 2.91Å; Q264-R270 CarbonylContact C-O 3.59Å; Q264-R270 WeakPolarHBondContact CA-O 3.39Å; Q264-I271 HydrophobicContact CB-CD1 3.82Å; Q264-I271 HydrophobicContact CG-CD1 3.84Å
265	L	96.1	Very high	90.6	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	113.5	173	176.1	54.1	0	0	0	109.6	L241 D245 F246 K267 T268 E269 R270 Y272	L241-L265 HydrophobicContact CD2-CD1 4Å; D245-L265 HydrophobicContact CB-CD1 4.21Å; F246-L265 HydrophobicContact CD1-CB 4.19Å; F246-L265 HydrophobicContact CD1-CD1 4.42Å; F246-L265 HydrophobicContact CE1-CB 3.89Å; F246-L265 HydrophobicContact CE1-CD1 3.99Å; F246-L265 HydrophobicContact CE1-CG 4.42Å; F246-L265 HydrophobicContact CE2-CD1 4.45Å; F246-L265 HydrophobicContact CZ-CD1 4Å; L265-K267 PolarHBondContact O-N 3.13Å; L265-K267 VanDerWaalsContact O-N 3.09Å; L265-T268 PolarHBondContact O-N 3.1Å; L265-T268 VanDerWaalsContact O-N 3.14Å; L265-E269 WeakPolarHBondContact O-CA 3.39Å; L265-E269 PolarHBondContact O-N 2.86Å; L265-R270 PolarHBondContact N-O 2.82Å; L265-Y272 HydrophobicContact CB-CD2 4.25Å; L265-Y272 HydrophobicContact CB-CE2 3.86Å; L265-Y272 HydrophobicContact CD2-CE2 4.3Å
266	K	95.3	Very high	91.8	Very high	99 Å²	99	46.2 Å²	46.2	43%	0.43	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-31.1	-172.8	-72.9	169.1	-178.9	160.5	0	114.6	A244 D245 F246 D247 Q264	A244-K266 PolarHBondContact O-NZ 3.41Å; D245-K266 VanDerWaalsContact O-CB 3.31Å; D245-K266 WeakPolarHBondContact O-CB 3.32Å; D245-K266 WeakPolarHBondContact O-CG 3.48Å; D245-K266 PolarHBondContact O-N 2.87Å; F246-K266 WeakPolarHBondContact O-CE 3.09Å; F246-K266 PolarHBondContact O-NZ 3.28Å; D247-K266 WeakPolarHBondContact OD1-CE 3.22Å; D247-K266 IonicContact OD1-NZ 3.79Å; D247-K266 PolarHBondContact OD1-NZ 2.95Å; D247-K266 WeakPolarHBondContact OD2-CE 3.1Å; D247-K266 VanDerWaalsContact OD2-CG 3.32Å; D247-K266 WeakPolarHBondContact OD2-CG 3.41Å; Q264-K266 PolarHBondContact O-N 3.08Å
267	K	91.3	Very high	93	Very high	162 Å²	162	40.9 Å²	40.9	70%	0.704	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-33	-177.5	-172.8	-171.7	172.2	-161.1	0	112.7	L265	L265-K267 PolarHBondContact O-N 3.13Å; L265-K267 VanDerWaalsContact O-N 3.09Å
268	T	91.4	Very high	93.9	Very high	42 Å²	42	37.9 Å²	37.9	26%	0.258	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-2.5	-169.7	59.7	0	0	0	0	113.6	L265 R270 E585	L265-T268 PolarHBondContact O-N 3.1Å; L265-T268 VanDerWaalsContact O-N 3.14Å; T268-R270 PolarHBondContact O-N 2.88Å; T268-E585 WeakPolarHBondContact CG2-OE2 3.33Å; T268-E585 PolarHBondContact OG1-OE2 3.05Å
269	E	93.3	Very high	94.2	Very high	147 Å²	147	37.4 Å²	37.4	69%	0.687	17%	0.173	S	C	*	.			trans	56.8	9.6	-174	-60.8	-177.5	177.8	0	0	114.2	Q264 L265	Q264-E269 WeakPolarHBondContact CG-O 3.14Å; Q264-E269 PolarHBondContact NE2-O 2.91Å; L265-E269 WeakPolarHBondContact O-CA 3.39Å; L265-E269 PolarHBondContact O-N 2.86Å
270	R	93.4	Very high	93.9	Very high	83 Å²	83	39 Å²	39	31%	0.313	18%	0.181	S	C	.	.			trans	-74.8	144	-179.5	-69.3	-179.9	-178.6	-163.2	3	111.8	Q264 L265 T268 Y272 A584 E585	Q264-R270 CarbonylContact C-O 3.59Å; Q264-R270 WeakPolarHBondContact CA-O 3.39Å; L265-R270 PolarHBondContact N-O 2.82Å; T268-R270 PolarHBondContact O-N 2.88Å; R270-Y272 HydrophobicContact CB-CE2 3.66Å; R270-A584 PolarHBondContact NH2-O 2.83Å; R270-E585 WeakPolarHBondContact CD-OE1 3.49Å; R270-E585 IonicContact CZ-OE1 3.43Å; R270-E585 IonicContact NE-OE1 3.59Å; R270-E585 IonicContact NH1-OE1 2.68Å; R270-E585 PolarHBondContact NH1-OE1 3.41Å
271	I	95.6	Very high	93.2	Very high	47 Å²	47	40.5 Å²	40.5	24%	0.241	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	134.1	-175.4	-58	-63.5	0	0	0	110.4	L249 L262 V263 Q264 Y326 F539	L249-I271 HydrophobicContact CD1-CD1 3.75Å; L262-I271 HydrophobicContact CD1-CG2 3.35Å; L262-I271 HydrophobicContact CG-CG2 4.14Å; V263-I271 WeakPolarHBondContact O-CA 3.45Å; Q264-I271 HydrophobicContact CB-CD1 3.82Å; Q264-I271 HydrophobicContact CG-CD1 3.84Å; I271-Y326 HydrophobicContact CG2-CD1 3.62Å; I271-Y326 HydrophobicContact CG2-CE1 4.22Å; I271-Y326 HydrophobicContact CG2-CG 4.1Å; I271-F539 HydrophobicContact CD1-CD1 4.27Å; I271-F539 HydrophobicContact CD1-CE1 3.81Å; I271-F539 HydrophobicContact CG1-CD1 4.41Å; I271-F539 HydrophobicContact CG1-CE1 4.3Å
272	Y	96.7	Very high	92.4	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	161.5	179	-59.9	-83.6	0	0	0	111.3	F246 V263 L265 R270 H311 V323 I324 E585	F246-Y272 HydrophobicContact CE1-CD2 4.43Å; V263-Y272 WeakPolarHBondContact CG2-O 3.47Å; V263-Y272 PolarHBondContact N-O 3.11Å; V263-Y272 PolarHBondContact O-N 2.86Å; L265-Y272 HydrophobicContact CB-CD2 4.25Å; L265-Y272 HydrophobicContact CB-CE2 3.86Å; L265-Y272 HydrophobicContact CD2-CE2 4.3Å; R270-Y272 HydrophobicContact CB-CE2 3.66Å; Y272-H311 HydrophobicContact CD1-CB 4.05Å; Y272-H311 HydrophobicContact CE1-CB 3.86Å; Y272-H311 AromaticContact CE1-CD2 3.61Å; Y272-H311 AromaticContact CE1-CG 3.75Å; Y272-H311 AromaticContact CZ-CD2 3.64Å; Y272-H311 AromaticContact CZ-NE2 4Å; Y272-V323 HydrophobicContact CD1-CG1 4.03Å; Y272-V323 HydrophobicContact CD2-CG1 4.14Å; Y272-V323 HydrophobicContact CG-CG1 3.63Å; Y272-I324 WeakPolarHBondContact CB-O 3.43Å; Y272-E585 PolarHBondContact OH-OE1 2.78Å
273	A	96.5	Very high	91	Very high	7 Å²	7	46.6 Å²	46.6	6%	0.058	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.5	160	0	0	0	0	0	108.9	I252 V260 L261 I324 Y326	I252-A273 HydrophobicContact CD1-CB 4.02Å; V260-A273 HydrophobicContact CG1-CB 4.23Å; L261-A273 CarbonylContact O-C 3.39Å; L261-A273 WeakPolarHBondContact O-CA 3.43Å; A273-I324 HydrophobicContact CB-CD1 4.39Å; A273-I324 HydrophobicContact CB-CG1 3.81Å; A273-I324 PolarHBondContact N-O 3.03Å; A273-I324 WeakPolarHBondContact O-CG1 3.34Å; A273-I324 PolarHBondContact O-N 3.22Å; A273-Y326 HydrophobicContact CB-CD2 4.44Å
274	M	96.8	Very high	89.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	105.4	178.3	-178	-174.3	-79.1	0	0	108.6	L243 F246 L248 V260 L261 V263 V276 F314 F321 F322 V323	L243-M274 HydrophobicContact CD1-CE 4.36Å; L243-M274 HydrophobicContact CD1-SD 4.1Å; F246-M274 HydrophobicContact CB-CE 3.95Å; F246-M274 HydrophobicContact CD1-CE 4.04Å; F246-M274 HydrophobicContact CD2-CE 3.75Å; F246-M274 HydrophobicContact CE2-CE 4.28Å; F246-M274 HydrophobicContact CG-CE 3.63Å; L248-M274 HydrophobicContact CD2-SD 4.32Å; V260-M274 WeakPolarHBondContact CA-O 3.49Å; L261-M274 HydrophobicContact CB-CB 4.38Å; L261-M274 PolarHBondContact N-O 3.27Å; L261-M274 PolarHBondContact O-N 3.18Å; V263-M274 HydrophobicContact CB-CB 4.45Å; V263-M274 HydrophobicContact CB-CE 4.39Å; V263-M274 HydrophobicContact CG1-CB 3.65Å; V263-M274 HydrophobicContact CG1-CE 3.98Å; V263-M274 HydrophobicContact CG1-CG 4.43Å; V263-M274 HydrophobicContact CG1-SD 3.98Å; V263-M274 HydrophobicContact CG2-CB 3.91Å; V263-M274 HydrophobicContact CG2-CE 4.14Å; M274-V276 HydrophobicContact CG-CG2 3.96Å; M274-V276 HydrophobicContact SD-CG2 4.27Å; M274-F314 HydrophobicContact CE-CE1 3.99Å; M274-F314 HydrophobicContact CE-CZ 3.63Å; M274-F314 HydrophobicContact SD-CZ 4.34Å; M274-F321 HydrophobicContact CG-CD1 4.09Å; M274-F321 HydrophobicContact SD-CD1 3.6Å; M274-F321 HydrophobicContact SD-CE1 4.21Å; M274-F322 CarbonylContact C-O 3.54Å; M274-F322 WeakPolarHBondContact CA-O 3.46Å; M274-V323 HydrophobicContact CE-CG2 4.12Å
275	K	94.4	Very high	88	Confident	13 Å²	13	53.7 Å²	53.7	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.7	173.1	-178.8	179.2	172.2	179.6	0	108.1	A258 E294 F322 D388	A258-K275 HydrophobicContact CB-CD 4.31Å; A258-K275 HydrophobicContact CB-CG 3.72Å; K275-E294 IonicContact NZ-OE1 2.68Å; K275-E294 PolarHBondContact NZ-OE1 3.26Å; K275-E294 IonicContact NZ-OE2 3.33Å; K275-E294 PolarHBondContact NZ-OE2 3.5Å; K275-F322 HydrophobicContact CB-CB 4.32Å; K275-F322 PolarHBondContact N-O 3.43Å; K275-F322 PolarHBondContact O-N 2.93Å; K275-D388 IonicContact NZ-OD1 3.81Å; K275-D388 PolarHBondContact NZ-OD1 2.95Å
276	V	94.3	Very high	86.6	Confident	9 Å²	9	59.2 Å²	59.2	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	114.6	-175	-170.4	0	0	0	0	109.8	A258 K259 L261 M274 R319 L320 F321 L555	A258-V276 VanDerWaalsContact CA-O 3.24Å; A258-V276 WeakPolarHBondContact CA-O 3.41Å; K259-V276 PolarHBondContact N-O 2.83Å; K259-V276 WeakPolarHBondContact O-CB 3.33Å; K259-V276 PolarHBondContact O-N 3.02Å; L261-V276 HydrophobicContact CD1-CG2 3.99Å; M274-V276 HydrophobicContact CG-CG2 3.96Å; M274-V276 HydrophobicContact SD-CG2 4.27Å; V276-R319 HydrophobicContact CG1-CB 4.27Å; V276-R319 HydrophobicContact CG1-CG 4.25Å; V276-L320 WeakPolarHBondContact CA-O 3.17Å; V276-F321 HydrophobicContact CB-CD1 4.32Å; V276-F321 HydrophobicContact CB-CE1 4.37Å; V276-F321 HydrophobicContact CG1-CD1 3.88Å; V276-F321 HydrophobicContact CG1-CE1 3.58Å; V276-F321 HydrophobicContact CG1-CZ 4.09Å; V276-F321 HydrophobicContact CG2-CD1 3.71Å; V276-F321 HydrophobicContact CG2-CE1 3.88Å; V276-L555 HydrophobicContact CB-CD2 4.48Å; V276-L555 HydrophobicContact CG1-CD2 4.03Å; V276-L555 HydrophobicContact CG2-CD2 4.24Å
277	V	90.8	Very high	85.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.8	177.2	-178.2	0	0	0	0	108.5	A258 R319 L320 F322	A258-V277 HydrophobicContact CB-CG2 4.06Å; V277-R319 CarbonylContact O-C 3.59Å; V277-R319 VanDerWaalsContact O-CA 3.29Å; V277-R319 WeakPolarHBondContact O-CA 3.43Å; V277-L320 HydrophobicContact CB-CB 4.43Å; V277-L320 PolarHBondContact N-O 2.89Å; V277-L320 PolarHBondContact O-N 3.29Å; V277-F322 HydrophobicContact CG2-CE2 4.27Å
278	K	90.3	Very high	84.8	Confident	45 Å²	45	49.7 Å²	49.7	20%	0.196	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	135.1	173.3	-72	-166.8	171.9	-162.1	0	110.7	E280 L281 R319	K278-E280 VanDerWaalsContact C-N 3.26Å; K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 HydrophobicContact CD-CG 3.81Å; K278-E280 WeakPolarHBondContact CD-OE1 3.21Å; K278-E280 WeakPolarHBondContact CE-OE1 3.48Å; K278-E280 IonicContact NZ-OE1 3.6Å; K278-E280 PolarHBondContact NZ-OE1 3.37Å; K278-E280 IonicContact NZ-OE2 2.76Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å; K278-E280 PolarHBondContact O-N 3.42Å; K278-L281 HydrophobicContact CB-CD1 4.23Å; K278-L281 HydrophobicContact CB-CG 4.15Å; K278-L281 WeakPolarHBondContact O-CB 3.49Å; K278-L281 PolarHBondContact O-N 3.14Å; K278-L281 VanDerWaalsContact O-N 3.14Å; K278-R319 HydrophobicContact CG-CG 4.49Å
279	K	89.4	Confident	83.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.009	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.2	-29.6	173.9	-73	178	170.3	174.7	0	112.7	L281 V282 Q315 T316 S318 L320 I566 F571	K279-L281 PolarHBondContact O-N 2.83Å; K279-V282 PolarHBondContact O-N 3.25Å; K279-V282 VanDerWaalsContact O-O 3.11Å; K279-Q315 VanDerWaalsContact CE-OE1 3.28Å; K279-T316 WeakPolarHBondContact CE-O 3.38Å; K279-T316 PolarHBondContact NZ-O 3.31Å; K279-S318 PolarHBondContact N-O 3.42Å; K279-L320 HydrophobicContact CD-CD2 4.49Å; K279-L320 VanDerWaalsContact CE-CD2 3.49Å; K279-L320 HydrophobicContact CG-CD2 4.22Å; K279-L320 HydrophobicContact CG-CG 4.07Å; K279-I566 HydrophobicContact CB-CD1 3.78Å; K279-I566 HydrophobicContact CB-CG2 3.87Å; K279-I566 HydrophobicContact CD-CG2 4.08Å; K279-F571 HydrophobicContact CB-CE2 4.3Å; K279-F571 HydrophobicContact CB-CZ 4.16Å; K279-F571 HydrophobicContact CD-CD2 3.85Å; K279-F571 HydrophobicContact CD-CE2 3.87Å; K279-F571 HydrophobicContact CD-CG 4.26Å; K279-F571 HydrophobicContact CD-CZ 4.29Å; K279-F571 HydrophobicContact CG-CD1 4.48Å; K279-F571 HydrophobicContact CG-CD2 4.32Å; K279-F571 HydrophobicContact CG-CE1 4.14Å; K279-F571 HydrophobicContact CG-CE2 3.98Å; K279-F571 HydrophobicContact CG-CZ 3.88Å
280	E	84.4	Confident	83	Confident	54 Å²	54	48.3 Å²	48.3	25%	0.252	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.2	-12.6	173.8	84.1	-171.8	-169.5	0	0	114.6	K278 N283 I562	K278-E280 VanDerWaalsContact C-N 3.26Å; K278-E280 HydrophobicContact CB-CG 3.99Å; K278-E280 HydrophobicContact CD-CG 3.81Å; K278-E280 WeakPolarHBondContact CD-OE1 3.21Å; K278-E280 WeakPolarHBondContact CE-OE1 3.48Å; K278-E280 IonicContact NZ-OE1 3.6Å; K278-E280 PolarHBondContact NZ-OE1 3.37Å; K278-E280 IonicContact NZ-OE2 2.76Å; K278-E280 PolarHBondContact NZ-OE2 2.89Å; K278-E280 PolarHBondContact O-N 3.42Å; E280-N283 PolarHBondContact O-ND2 3Å; E280-N283 PolarHBondContact O-OD1 3.12Å; E280-I562 HydrophobicContact CB-CG2 3.68Å
281	L	79.6	Confident	82.3	Confident	65 Å²	65	44.6 Å²	44.6	34%	0.34	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-97.3	-8.2	177.6	-58.7	178	0	0	0	112.7	Y257 K278 K279 N283	Y257-L281 HydrophobicContact CD1-CD1 4.44Å; K278-L281 HydrophobicContact CB-CD1 4.23Å; K278-L281 HydrophobicContact CB-CG 4.15Å; K278-L281 WeakPolarHBondContact O-CB 3.49Å; K278-L281 PolarHBondContact O-N 3.14Å; K278-L281 VanDerWaalsContact O-N 3.14Å; K279-L281 PolarHBondContact O-N 2.83Å; L281-N283 VanDerWaalsContact C-ND2 3.26Å; L281-N283 PolarHBondContact O-ND2 2.78Å
282	V	78.1	Confident	81.5	Confident	8 Å²	8	47.6 Å²	47.6	5%	0.048	24%	0.238	C	C	.	.			trans	-105.3	100.3	176.8	179.3	0	0	0	0	106.4	K279 D287 I288 V291 F571	K279-V282 PolarHBondContact O-N 3.25Å; K279-V282 VanDerWaalsContact O-O 3.11Å; V282-D287 HydrophobicContact CB-CB 4.12Å; V282-D287 HydrophobicContact CG1-CB 3.69Å; V282-D287 HydrophobicContact CG2-CB 4.46Å; V282-I288 HydrophobicContact CG1-CG1 3.65Å; V282-V291 HydrophobicContact CG2-CG2 3.92Å; V282-F571 HydrophobicContact CB-CE1 4.26Å; V282-F571 HydrophobicContact CB-CZ 4.1Å; V282-F571 HydrophobicContact CG1-CE1 3.9Å; V282-F571 HydrophobicContact CG1-CZ 3.91Å
283	N	68.4	Low	80.7	Confident	120 Å²	120	47.6 Å²	47.6	64%	0.642	24%	0.24	S	C	*	.			trans	-126.1	-7.6	-167.6	-63.7	-87.4	0	0	0	114.5	E280 L281 D287	E280-N283 PolarHBondContact O-ND2 3Å; E280-N283 PolarHBondContact O-OD1 3.12Å; L281-N283 VanDerWaalsContact C-ND2 3.26Å; L281-N283 PolarHBondContact O-ND2 2.78Å; N283-D287 PolarHBondContact N-OD2 2.88Å
284	D	69.9	Low	80	Confident	73 Å²	73	47.3 Å²	47.3	39%	0.39	24%	0.238	S	C	.	.	S	Bend	trans	-142.9	169.1	177	66.8	40.7	0	0	0	112.1	E286 D287 I288	D284-E286 PolarHBondContact O-N 2.69Å; D284-E286 WeakPolarHBondContact OD1-CA 3.37Å; D284-E286 VanDerWaalsContact OD1-CB 3.28Å; D284-E286 WeakPolarHBondContact OD1-CB 3.43Å; D284-E286 PolarHBondContact OD1-N 3.39Å; D284-D287 PolarHBondContact O-N 3.49Å; D284-D287 PolarHBondContact OD1-N 2.94Å; D284-D287 VanDerWaalsContact OD1-N 3.11Å; D284-I288 PolarHBondContact O-N 3.12Å; D284-I288 VanDerWaalsContact O-N 3.15Å
285	D	63	Low	79.3	Confident	125 Å²	125	48.7 Å²	48.7	67%	0.668	24%	0.244	S	C	*	.	H	α-helix	trans	-56.9	-29.6	-179.7	-55.5	-45.3	0	0	0	112.6	I288 D289	D285-I288 PolarHBondContact O-N 2.61Å; D285-D289 WeakPolarHBondContact O-CB 3.21Å; D285-D289 PolarHBondContact O-N 2.76Å
286	E	66.6	Low	78.9	Confident	122 Å²	122	51.5 Å²	51.5	57%	0.57	26%	0.257	S	S	*	.	H	α-helix	trans	-67.8	-39.3	176.9	-57.8	-171.5	163.7	0	0	110.5	R125 D284 W290	R125-E286 IonicContact CZ-OE2 3.58Å; R125-E286 IonicContact NH1-OE2 2.75Å; R125-E286 PolarHBondContact NH1-OE2 3.29Å; R125-E286 IonicContact NH2-OE2 3.87Å; D284-E286 PolarHBondContact O-N 2.69Å; D284-E286 WeakPolarHBondContact OD1-CA 3.37Å; D284-E286 VanDerWaalsContact OD1-CB 3.28Å; D284-E286 WeakPolarHBondContact OD1-CB 3.43Å; D284-E286 PolarHBondContact OD1-N 3.39Å; E286-W290 VanDerWaalsContact O-CB 3.24Å; E286-W290 WeakPolarHBondContact O-CB 3.29Å; E286-W290 PolarHBondContact O-N 3.25Å; E286-W290 VanDerWaalsContact O-N 3.09Å
287	D	72.5	Confident	78.6	Confident	44 Å²	44	51.1 Å²	51.1	24%	0.235	25%	0.254	C	S	.	.	H	α-helix	trans	-70.3	-34.2	176.9	-63.6	-36.4	0	0	0	112.4	V282 N283 D284 W290 V291	V282-D287 HydrophobicContact CB-CB 4.12Å; V282-D287 HydrophobicContact CG1-CB 3.69Å; V282-D287 HydrophobicContact CG2-CB 4.46Å; N283-D287 PolarHBondContact N-OD2 2.88Å; D284-D287 PolarHBondContact O-N 3.49Å; D284-D287 PolarHBondContact OD1-N 2.94Å; D284-D287 VanDerWaalsContact OD1-N 3.11Å; D287-W290 WeakPolarHBondContact O-CB 3.32Å; D287-W290 PolarHBondContact O-N 3.18Å; D287-V291 WeakPolarHBondContact O-CG2 3.49Å; D287-V291 PolarHBondContact O-N 2.87Å; D287-V291 VanDerWaalsContact O-N 3.1Å
288	I	75.2	Confident	78.4	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	25%	0.254	C	S	.	.	H	α-helix	trans	-71.6	-48.9	178.2	-61.2	163.5	0	0	0	110.2	V282 D284 D285 W290 V291 Q292 E570	V282-I288 HydrophobicContact CG1-CG1 3.65Å; D284-I288 PolarHBondContact O-N 3.12Å; D284-I288 VanDerWaalsContact O-N 3.15Å; D285-I288 PolarHBondContact O-N 2.61Å; I288-W290 PolarHBondContact O-N 2.88Å; I288-V291 PolarHBondContact O-N 3.36Å; I288-V291 VanDerWaalsContact O-N 3.15Å; I288-Q292 WeakPolarHBondContact O-CG 3.34Å; I288-Q292 PolarHBondContact O-N 3.21Å; I288-E570 HydrophobicContact CD1-CB 3.97Å; I288-E570 VanDerWaalsContact CD1-CD 3.45Å; I288-E570 HydrophobicContact CD1-CG 3.9Å
289	D	71.5	Confident	78.1	Confident	104 Å²	104	51.6 Å²	51.6	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-54.7	-36.7	172.9	-88.3	-0.8	0	0	0	111.2	D285 T293	D285-D289 WeakPolarHBondContact O-CB 3.21Å; D285-D289 PolarHBondContact O-N 2.76Å; D289-T293 VanDerWaalsContact O-CB 3.26Å; D289-T293 WeakPolarHBondContact O-CB 3.47Å; D289-T293 PolarHBondContact O-N 3.33Å; D289-T293 PolarHBondContact O-OG1 3.49Å
290	W	75.6	Confident	77.9	Confident	57 Å²	57	53.9 Å²	53.9	22%	0.216	27%	0.268	C	S	.	.	H	α-helix	trans	-64.8	-47.8	176.3	176.5	83.8	0	0	0	112.6	E286 D287 I288 Q292 T293 E294 G390	E286-W290 VanDerWaalsContact O-CB 3.24Å; E286-W290 WeakPolarHBondContact O-CB 3.29Å; E286-W290 PolarHBondContact O-N 3.25Å; E286-W290 VanDerWaalsContact O-N 3.09Å; D287-W290 WeakPolarHBondContact O-CB 3.32Å; D287-W290 PolarHBondContact O-N 3.18Å; I288-W290 PolarHBondContact O-N 2.88Å; W290-Q292 PolarHBondContact O-N 2.81Å; W290-T293 PolarHBondContact O-N 2.89Å; W290-E294 PolarHBondContact O-N 2.83Å; W290-G390 PolarHBondContact NE1-O 2.82Å
291	V	78.4	Confident	77.8	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.024	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-43.5	174.7	169	0	0	0	0	111.6	V282 D287 I288 E294 K295 L320 F322 F574	V282-V291 HydrophobicContact CG2-CG2 3.92Å; D287-V291 WeakPolarHBondContact O-CG2 3.49Å; D287-V291 PolarHBondContact O-N 2.87Å; D287-V291 VanDerWaalsContact O-N 3.1Å; I288-V291 PolarHBondContact O-N 3.36Å; I288-V291 VanDerWaalsContact O-N 3.15Å; V291-E294 PolarHBondContact O-N 3.32Å; V291-K295 PolarHBondContact O-N 2.91Å; V291-L320 HydrophobicContact CB-CD1 4.49Å; V291-L320 HydrophobicContact CG1-CD1 3.59Å; V291-L320 HydrophobicContact CG2-CD1 4.04Å; V291-F322 HydrophobicContact CG1-CZ 4.37Å; V291-F574 HydrophobicContact CG1-CD2 4.09Å; V291-F574 HydrophobicContact CG1-CE2 3.74Å
292	Q	78.8	Confident	77.6	Confident	110 Å²	110	49.5 Å²	49.5	51%	0.514	25%	0.249	S	C	.	.	H	α-helix	trans	-67.3	-42.5	-179.7	-67.7	-175.3	15.9	0	0	111.7	I288 W290 K295 H296	I288-Q292 WeakPolarHBondContact O-CG 3.34Å; I288-Q292 PolarHBondContact O-N 3.21Å; W290-Q292 PolarHBondContact O-N 2.81Å; Q292-K295 PolarHBondContact O-N 2.84Å; Q292-H296 PolarHBondContact O-N 2.85Å
293	T	79.3	Confident	77.7	Confident	20 Å²	20	54.1 Å²	54.1	12%	0.123	27%	0.273	C	S	.	.	H	α-helix	trans	-58.8	-47.3	172.1	-60.7	0	0	0	0	110.8	D289 W290 K295 H296 V297 E394	D289-T293 VanDerWaalsContact O-CB 3.26Å; D289-T293 WeakPolarHBondContact O-CB 3.47Å; D289-T293 PolarHBondContact O-N 3.33Å; D289-T293 PolarHBondContact O-OG1 3.49Å; W290-T293 PolarHBondContact O-N 2.89Å; T293-K295 PolarHBondContact O-N 2.74Å; T293-H296 PolarHBondContact O-N 2.93Å; T293-V297 HydrophobicContact CG2-CG2 4.24Å; T293-V297 WeakPolarHBondContact O-CG2 3.44Å; T293-V297 PolarHBondContact O-N 3.02Å; T293-E394 HydrophobicContact CG2-CG 3.93Å
294	E	81.9	Confident	78.9	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.2	-44.9	178.8	177.3	154.4	-139.7	0	0	111.4	K275 W290 V291 H296 F298 F322 Y389 G390	K275-E294 IonicContact NZ-OE1 2.68Å; K275-E294 PolarHBondContact NZ-OE1 3.26Å; K275-E294 IonicContact NZ-OE2 3.33Å; K275-E294 PolarHBondContact NZ-OE2 3.5Å; W290-E294 PolarHBondContact O-N 2.83Å; V291-E294 PolarHBondContact O-N 3.32Å; E294-H296 PolarHBondContact O-N 3.45Å; E294-F298 HydrophobicContact CG-CD2 3.72Å; E294-F298 HydrophobicContact CG-CE2 3.68Å; E294-F298 WeakPolarHBondContact O-CB 3.42Å; E294-F298 VanDerWaalsContact O-CD2 3.25Å; E294-F298 WeakPolarHBondContact O-CD2 3.34Å; E294-F298 PolarHBondContact O-N 2.91Å; E294-F298 WeakPolarHBondContact OE1-CE2 3.26Å; E294-F322 HydrophobicContact CG-CE1 4.31Å; E294-F322 HydrophobicContact CG-CZ 4.4Å; E294-Y389 PolarHBondContact OE1-N 3.49Å; E294-G390 PolarHBondContact OE1-N 2.72Å; E294-G390 VanDerWaalsContact OE1-N 3.15Å
295	K	83.4	Confident	80.1	Confident	29 Å²	29	47.3 Å²	47.3	13%	0.126	24%	0.238	C	C	.	.	H	α-helix	trans	-57.6	-48.9	174	177.3	176.2	169.7	170.1	0	111.6	V291 Q292 T293 F298 E299 F322 G573 F574 E575	V291-K295 PolarHBondContact O-N 2.91Å; Q292-K295 PolarHBondContact O-N 2.84Å; T293-K295 PolarHBondContact O-N 2.74Å; K295-F298 WeakPolarHBondContact O-CB 3.21Å; K295-F298 PolarHBondContact O-N 2.85Å; K295-E299 WeakPolarHBondContact CE-OE1 3.19Å; K295-E299 WeakPolarHBondContact O-CG 3.19Å; K295-E299 PolarHBondContact O-N 2.82Å; K295-F322 HydrophobicContact CB-CE1 4.15Å; K295-G573 PolarHBondContact NZ-O 2.84Å; K295-F574 VanDerWaalsContact NZ-C 3.3Å; K295-F574 PolarHBondContact NZ-O 3.47Å; K295-E575 PolarHBondContact NZ-O 3.2Å
296	H	86.4	Confident	81.8	Confident	73 Å²	73	41.3 Å²	41.3	34%	0.338	21%	0.207	S	C	.	.	H	α-helix	trans	-68.4	-40.3	-175.6	-168.4	55.8	0	0	0	112.9	Q292 T293 E294 F298 E299 Q300 E394	Q292-H296 PolarHBondContact O-N 2.85Å; T293-H296 PolarHBondContact O-N 2.93Å; E294-H296 PolarHBondContact O-N 3.45Å; H296-F298 VanDerWaalsContact C-N 3.32Å; H296-F298 PolarHBondContact O-N 3.35Å; H296-E299 IonicContact ND1-OE2 3.73Å; H296-E299 WeakPolarHBondContact O-CB 3.47Å; H296-E299 PolarHBondContact O-N 2.82Å; H296-Q300 PolarHBondContact NE2-NE2 3.02Å; H296-Q300 PolarHBondContact O-N 3.06Å; H296-E394 IonicContact CD2-OE1 3.56Å; H296-E394 IonicContact CD2-OE2 3.56Å; H296-E394 PolarHBondContact CD2-OE2 3.21Å; H296-E394 IonicContact CG-OE2 3.47Å
297	V	87.1	Confident	83.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.3	-41.4	173.3	176.3	0	0	0	0	110.9	T293 E299 Q300 A301 L361 I366 Y389 C392 E394	T293-V297 HydrophobicContact CG2-CG2 4.24Å; T293-V297 WeakPolarHBondContact O-CG2 3.44Å; T293-V297 PolarHBondContact O-N 3.02Å; V297-E299 PolarHBondContact O-N 2.86Å; V297-Q300 PolarHBondContact O-N 3.22Å; V297-A301 WeakPolarHBondContact O-CB 3.38Å; V297-A301 PolarHBondContact O-N 3.36Å; V297-L361 HydrophobicContact CG1-CD2 4.33Å; V297-I366 HydrophobicContact CG1-CD1 4.4Å; V297-I366 HydrophobicContact CG1-CG2 4.33Å; V297-I366 HydrophobicContact CG2-CD1 4.1Å; V297-I366 HydrophobicContact CG2-CG1 4.39Å; V297-I366 HydrophobicContact CG2-CG2 3.99Å; V297-Y389 HydrophobicContact CB-CG 4.41Å; V297-Y389 HydrophobicContact CG1-CD1 3.94Å; V297-Y389 HydrophobicContact CG1-CD2 4.07Å; V297-Y389 HydrophobicContact CG1-CG 3.63Å; V297-C392 HydrophobicContact CG2-CB 3.88Å; V297-E394 HydrophobicContact CG2-CB 4.5Å
298	F	86.5	Confident	84.3	Confident	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-58.6	-43.3	173.8	-98.8	-56.3	0	0	0	113.1	E294 K295 H296 A301 S302 V308 L310 F322 I324 Y389	E294-F298 HydrophobicContact CG-CD2 3.72Å; E294-F298 HydrophobicContact CG-CE2 3.68Å; E294-F298 WeakPolarHBondContact O-CB 3.42Å; E294-F298 VanDerWaalsContact O-CD2 3.25Å; E294-F298 WeakPolarHBondContact O-CD2 3.34Å; E294-F298 PolarHBondContact O-N 2.91Å; E294-F298 WeakPolarHBondContact OE1-CE2 3.26Å; K295-F298 WeakPolarHBondContact O-CB 3.21Å; K295-F298 PolarHBondContact O-N 2.85Å; H296-F298 VanDerWaalsContact C-N 3.32Å; H296-F298 PolarHBondContact O-N 3.35Å; F298-A301 PolarHBondContact O-N 3.02Å; F298-S302 PolarHBondContact O-N 3.43Å; F298-S302 PolarHBondContact O-OG 3.33Å; F298-V308 HydrophobicContact CE1-CG1 4.34Å; F298-L310 HydrophobicContact CB-CB 3.79Å; F298-L310 HydrophobicContact CB-CD1 4.5Å; F298-L310 HydrophobicContact CB-CD2 3.85Å; F298-L310 HydrophobicContact CB-CG 4.25Å; F298-L310 HydrophobicContact CD1-CB 3.98Å; F298-L310 HydrophobicContact CG-CB 4.12Å; F298-L310 HydrophobicContact CG-CD1 4.42Å; F298-F322 HydrophobicContact CD2-CD1 4.13Å; F298-F322 HydrophobicContact CD2-CE1 4.47Å; F298-F322 HydrophobicContact CE2-CD1 4.37Å; F298-I324 HydrophobicContact CD1-CG2 4.12Å; F298-I324 HydrophobicContact CE1-CB 4.38Å; F298-I324 HydrophobicContact CE1-CG2 3.59Å; F298-I324 HydrophobicContact CE2-CG2 4.48Å; F298-I324 HydrophobicContact CZ-CD1 4.34Å; F298-I324 HydrophobicContact CZ-CG2 3.82Å; F298-Y389 HydrophobicContact CB-CD2 4.44Å; F298-Y389 AromaticContact CD1-CD2 3.5Å; F298-Y389 HydrophobicContact CD1-CD2 3.5Å; F298-Y389 VanDerWaalsContact CD1-CD2 3.5Å; F298-Y389 AromaticContact CD1-CE2 3.48Å; F298-Y389 HydrophobicContact CD1-CE2 3.48Å; F298-Y389 VanDerWaalsContact CD1-CE2 3.48Å; F298-Y389 AromaticContact CD2-CD2 3.95Å; F298-Y389 HydrophobicContact CD2-CD2 3.95Å; F298-Y389 AromaticContact CE1-CD2 3.51Å; F298-Y389 HydrophobicContact CE1-CD2 3.51Å; F298-Y389 AromaticContact CE1-CE2 3.44Å; F298-Y389 HydrophobicContact CE1-CE2 3.44Å; F298-Y389 VanDerWaalsContact CE1-CE2 3.44Å; F298-Y389 AromaticContact CE2-CD2 3.96Å; F298-Y389 HydrophobicContact CE2-CD2 3.96Å; F298-Y389 AromaticContact CG-CD2 3.7Å; F298-Y389 HydrophobicContact CG-CD2 3.7Å; F298-Y389 HydrophobicContact CG-CE2 4.14Å; F298-Y389 AromaticContact CZ-CD2 3.74Å; F298-Y389 HydrophobicContact CZ-CD2 3.74Å; F298-Y389 HydrophobicContact CZ-CE2 4.09Å
299	E	85	Confident	85.1	Confident	55 Å²	55	33.1 Å²	33.1	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-61.1	-43.2	175.6	-68.9	174.4	-176.7	0	0	111.4	K295 H296 V297 L310 Y576	K295-E299 WeakPolarHBondContact CE-OE1 3.19Å; K295-E299 WeakPolarHBondContact O-CG 3.19Å; K295-E299 PolarHBondContact O-N 2.82Å; H296-E299 IonicContact ND1-OE2 3.73Å; H296-E299 WeakPolarHBondContact O-CB 3.47Å; H296-E299 PolarHBondContact O-N 2.82Å; V297-E299 PolarHBondContact O-N 2.86Å; E299-L310 HydrophobicContact CG-CD2 4.23Å; E299-Y576 HydrophobicContact CG-CD2 4.23Å; E299-Y576 HydrophobicContact CG-CE1 4.2Å; E299-Y576 HydrophobicContact CG-CE2 3.75Å; E299-Y576 VanDerWaalsContact OE1-CD2 3.27Å; E299-Y576 WeakPolarHBondContact OE1-CD2 3.29Å
300	Q	84.6	Confident	86.1	Confident	51 Å²	51	28.2 Å²	28.2	24%	0.238	14%	0.143	C	C	.	.	H	α-helix	trans	-72.1	-33.1	177.2	-65.2	-159.6	23.8	0	0	113.9	H296 V297 S302 Y360 R364 I366	H296-Q300 PolarHBondContact NE2-NE2 3.02Å; H296-Q300 PolarHBondContact O-N 3.06Å; V297-Q300 PolarHBondContact O-N 3.22Å; Q300-S302 VanDerWaalsContact C-N 3.32Å; Q300-S302 PolarHBondContact O-N 3.4Å; Q300-Y360 WeakPolarHBondContact O-CE1 3.49Å; Q300-Y360 PolarHBondContact O-OH 3.07Å; Q300-R364 VanDerWaalsContact OE1-CB 3.29Å; Q300-I366 HydrophobicContact CB-CD1 4.47Å
301	A	81.6	Confident	86.9	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-69.8	-27.3	-178.5	0	0	0	0	0	113.2	V297 F298 N303 H304 L307 Y389	V297-A301 WeakPolarHBondContact O-CB 3.38Å; V297-A301 PolarHBondContact O-N 3.36Å; F298-A301 PolarHBondContact O-N 3.02Å; A301-N303 PolarHBondContact O-N 2.94Å; A301-H304 PolarHBondContact O-N 3.14Å; A301-L307 HydrophobicContact CB-CB 3.99Å; A301-L307 HydrophobicContact CB-CD1 3.73Å; A301-L307 HydrophobicContact CB-CG 4.45Å; A301-Y389 HydrophobicContact CB-CE2 3.83Å
302	S	76.8	Confident	87.6	Confident	26 Å²	26	25.5 Å²	25.5	18%	0.182	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-8.9	-166.7	-67.6	0	0	0	0	116.9	F298 Q300 L310	F298-S302 PolarHBondContact O-N 3.43Å; F298-S302 PolarHBondContact O-OG 3.33Å; Q300-S302 VanDerWaalsContact C-N 3.32Å; Q300-S302 PolarHBondContact O-N 3.4Å; S302-L310 PolarHBondContact OG-N 2.86Å
303	N	79.7	Confident	88.3	Confident	106 Å²	106	20.5 Å²	20.5	57%	0.567	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-0.5	178.4	-66.7	-47.2	0	0	0	114.3	A301 L580	A301-N303 PolarHBondContact O-N 2.94Å; N303-L580 WeakPolarHBondContact OD1-CD1 3.37Å
304	H	93.1	Very high	89	Confident	9 Å²	9	19.7 Å²	19.7	4%	0.042	10%	0.104	C	C	.	.			trans	-100.9	130.6	-177.1	-169.9	-99.6	0	0	0	111.9	A301 F306 L307 A357 Y360	A301-H304 PolarHBondContact O-N 3.14Å; H304-F306 AromaticContact CE1-CD2 3.77Å; H304-F306 PolarHBondContact ND1-N 3.14Å; H304-F306 PolarHBondContact O-N 3.37Å; H304-F306 VanDerWaalsContact O-N 3.09Å; H304-L307 HydrophobicContact CB-CB 4.2Å; H304-L307 HydrophobicContact CB-CD1 3.85Å; H304-L307 HydrophobicContact CB-CG 3.99Å; H304-L307 PolarHBondContact O-N 3.34Å; H304-L307 VanDerWaalsContact O-N 3.15Å; H304-A357 VanDerWaalsContact CE1-CA 3.46Å; H304-A357 WeakPolarHBondContact CE1-CA 3.41Å; H304-Y360 HydrophobicContact CB-CD1 4Å; H304-Y360 HydrophobicContact CB-CD2 4.07Å; H304-Y360 HydrophobicContact CB-CE1 3.92Å; H304-Y360 HydrophobicContact CB-CE2 3.95Å; H304-Y360 HydrophobicContact CB-CG 4.09Å; H304-Y360 AromaticContact CD2-CD2 3.29Å; H304-Y360 WeakPolarHBondContact CD2-CD2 3.28Å; H304-Y360 AromaticContact CD2-CE2 3.91Å; H304-Y360 AromaticContact CD2-CG 3.5Å; H304-Y360 AromaticContact CG-CD2 3.87Å; H304-Y360 AromaticContact CG-CG 3.78Å
305	P	95.6	Very high	89.6	Confident	40 Å²	40	21.7 Å²	21.7	26%	0.26	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.8	-172.1	20.7	-32.6	0	0	0	114.8	K385 E523 K525	P305-K385 WeakPolarHBondContact O-CE 3.3Å; P305-K385 PolarHBondContact O-NZ 3.14Å; P305-E523 VanDerWaalsContact CG-O 3.27Å; P305-E523 WeakPolarHBondContact CG-O 3.24Å; P305-K525 HydrophobicContact CB-CD 4.33Å; P305-K525 HydrophobicContact CB-CG 4.27Å; P305-K525 VanDerWaalsContact O-CE 3.32Å; P305-K525 WeakPolarHBondContact O-CE 3.38Å; P305-K525 PolarHBondContact O-NZ 2.81Å
306	F	98.1	Very high	90.1	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	15.7	-177.2	-53.6	-49.4	0	0	0	114.2	H304 E353 L356 A357 H383 I384 K385 L386 L522 K525	H304-F306 AromaticContact CE1-CD2 3.77Å; H304-F306 PolarHBondContact ND1-N 3.14Å; H304-F306 PolarHBondContact O-N 3.37Å; H304-F306 VanDerWaalsContact O-N 3.09Å; F306-E353 HydrophobicContact CD1-CB 4.16Å; F306-E353 HydrophobicContact CD1-CG 4.34Å; F306-E353 HydrophobicContact CD2-CB 4.09Å; F306-E353 HydrophobicContact CE1-CB 4.09Å; F306-E353 HydrophobicContact CE1-CG 3.78Å; F306-E353 WeakPolarHBondContact CE1-OE1 3.28Å; F306-E353 HydrophobicContact CE2-CB 4.02Å; F306-E353 HydrophobicContact CE2-CG 4Å; F306-E353 HydrophobicContact CG-CB 4.16Å; F306-E353 HydrophobicContact CZ-CB 4.01Å; F306-E353 HydrophobicContact CZ-CG 3.58Å; F306-E353 WeakPolarHBondContact CZ-OE1 3.36Å; F306-L356 HydrophobicContact CD2-CB 4.14Å; F306-L356 HydrophobicContact CD2-CD1 4.42Å; F306-L356 HydrophobicContact CE2-CB 4.35Å; F306-L356 HydrophobicContact CE2-CD1 3.81Å; F306-A357 HydrophobicContact CB-CB 3.96Å; F306-H383 HydrophobicContact CD1-CB 4.48Å; F306-H383 HydrophobicContact CE1-CB 4.1Å; F306-I384 WeakPolarHBondContact CA-O 3.36Å; F306-I384 HydrophobicContact CB-CD1 3.85Å; F306-I384 HydrophobicContact CB-CG1 4.43Å; F306-I384 HydrophobicContact CD1-CG1 4.46Å; F306-I384 WeakPolarHBondContact CD1-O 3.24Å; F306-I384 HydrophobicContact CG-CD1 4.49Å; F306-K385 WeakPolarHBondContact O-CA 3.47Å; F306-L386 PolarHBondContact O-N 3.01Å; F306-L522 HydrophobicContact CZ-CG 4.38Å; F306-L522 VanDerWaalsContact CZ-O 3.27Å; F306-L522 WeakPolarHBondContact CZ-O 3.22Å; F306-K525 HydrophobicContact CE1-CD 4.38Å; F306-K525 HydrophobicContact CE1-CG 3.89Å; F306-K525 HydrophobicContact CZ-CG 4.22Å
307	L	96.8	Very high	90.5	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-115.5	156.6	169.7	-63.9	-179	0	0	0	109.5	A301 H304 A357 Y360 L361 K385 L386 Y389	A301-L307 HydrophobicContact CB-CB 3.99Å; A301-L307 HydrophobicContact CB-CD1 3.73Å; A301-L307 HydrophobicContact CB-CG 4.45Å; H304-L307 HydrophobicContact CB-CB 4.2Å; H304-L307 HydrophobicContact CB-CD1 3.85Å; H304-L307 HydrophobicContact CB-CG 3.99Å; H304-L307 PolarHBondContact O-N 3.34Å; H304-L307 VanDerWaalsContact O-N 3.15Å; L307-A357 HydrophobicContact CD2-CB 3.95Å; L307-Y360 HydrophobicContact CD1-CD1 3.7Å; L307-Y360 HydrophobicContact CD1-CE1 3.96Å; L307-L361 HydrophobicContact CD1-CD2 3.91Å; L307-L361 HydrophobicContact CD1-CG 4.14Å; L307-L361 HydrophobicContact CD2-CD1 4.26Å; L307-K385 PolarHBondContact O-NZ 2.97Å; L307-L386 HydrophobicContact CD2-CB 3.86Å; L307-L386 HydrophobicContact CD2-CD1 4.18Å; L307-L386 HydrophobicContact CD2-CG 4.27Å; L307-Y389 WeakPolarHBondContact CB-OH 3.48Å; L307-Y389 HydrophobicContact CD2-CE1 4.32Å
308	V	94.9	Very high	90.7	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-82.3	120.3	173.9	171.8	0	0	0	0	108.9	F298 I324 E325 V327 L377 K385 L386 Y389	F298-V308 HydrophobicContact CE1-CG1 4.34Å; V308-I324 HydrophobicContact CG1-CB 3.97Å; V308-I324 HydrophobicContact CG1-CD1 4.11Å; V308-I324 HydrophobicContact CG1-CG1 4.23Å; V308-E325 HydrophobicContact CG1-CB 4.24Å; V308-V327 HydrophobicContact CG2-CG2 4.26Å; V308-L377 HydrophobicContact CG2-CD1 4.23Å; V308-K385 HydrophobicContact CG2-CB 3.92Å; V308-L386 WeakPolarHBondContact CG2-O 3.29Å; V308-L386 PolarHBondContact N-O 2.85Å; V308-Y389 PolarHBondContact N-OH 3.42Å
309	G	91.9	Very high	91.1	Very high	9 Å²	9	25.4 Å²	25.4	9%	0.093	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-78.1	149.1	179.7	0	0	0	0	0	114	I324 E325	G309-I324 CarbonylContact O-C 3.6Å; G309-I324 VanDerWaalsContact O-CA 3.31Å; G309-I324 WeakPolarHBondContact O-CA 3.26Å; G309-I324 WeakPolarHBondContact O-CB 3.19Å; G309-E325 PolarHBondContact N-OE2 3.07Å; G309-E325 PolarHBondContact O-N 3.21Å
310	L	92.6	Very high	91.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.3	171.2	178.8	71.4	0	0	0	110.1	F298 E299 S302 F322 V323 I324 Y576 N578 L581	F298-L310 HydrophobicContact CB-CB 3.79Å; F298-L310 HydrophobicContact CB-CD1 4.5Å; F298-L310 HydrophobicContact CB-CD2 3.85Å; F298-L310 HydrophobicContact CB-CG 4.25Å; F298-L310 HydrophobicContact CD1-CB 3.98Å; F298-L310 HydrophobicContact CG-CB 4.12Å; F298-L310 HydrophobicContact CG-CD1 4.42Å; E299-L310 HydrophobicContact CG-CD2 4.23Å; S302-L310 PolarHBondContact OG-N 2.86Å; L310-F322 HydrophobicContact CD1-CB 4.27Å; L310-F322 HydrophobicContact CD1-CD1 4.37Å; L310-V323 WeakPolarHBondContact CD1-O 3.34Å; L310-I324 HydrophobicContact CD1-CG2 3.84Å; L310-Y576 HydrophobicContact CD2-CD1 3.51Å; L310-Y576 HydrophobicContact CD2-CE1 3.6Å; L310-Y576 HydrophobicContact CD2-CG 4.42Å; L310-Y576 HydrophobicContact CG-CD1 4.12Å; L310-Y576 HydrophobicContact CG-CE1 4.07Å; L310-N578 VanDerWaalsContact O-CB 3.31Å; L310-N578 WeakPolarHBondContact O-CB 3.29Å; L310-N578 PolarHBondContact O-ND2 2.98Å; L310-L581 WeakPolarHBondContact O-CD1 3.33Å
311	H	92	Very high	92	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.023	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	-52.2	171.6	174.9	-85.8	0	0	0	111.5	Y272 V323 N578 L581	Y272-H311 HydrophobicContact CD1-CB 4.05Å; Y272-H311 HydrophobicContact CE1-CB 3.86Å; Y272-H311 AromaticContact CE1-CD2 3.61Å; Y272-H311 AromaticContact CE1-CG 3.75Å; Y272-H311 AromaticContact CZ-CD2 3.64Å; Y272-H311 AromaticContact CZ-NE2 4Å; H311-V323 WeakPolarHBondContact CA-O 3.4Å; H311-V323 HydrophobicContact CB-CB 4.4Å; H311-V323 HydrophobicContact CB-CG1 4.13Å; H311-V323 WeakPolarHBondContact CB-O 3.31Å; H311-V323 PolarHBondContact N-O 3.39Å; H311-N578 WeakPolarHBondContact O-CB 3.49Å; H311-N578 PolarHBondContact O-N 3.21Å; H311-L581 HydrophobicContact CB-CD1 4.18Å
312	S	92.9	Very high	92.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	150.8	-176.8	54.2	0	0	0	0	112.8	V323 Y576	S312-V323 PolarHBondContact N-O 2.98Å; S312-V323 WeakPolarHBondContact O-CB 3.21Å; S312-V323 PolarHBondContact O-N 2.61Å; S312-V323 WeakPolarHBondContact OG-CB 3.3Å; S312-V323 WeakPolarHBondContact OG-CG2 3.35Å; S312-Y576 CarbonylContact C-O 3.43Å; S312-Y576 WeakPolarHBondContact CA-O 3.38Å; S312-Y576 WeakPolarHBondContact CB-O 3.47Å
313	C	93.8	Very high	93.5	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.027	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.7	167.7	-64.1	0	0	0	0	110.5	F321 F322 F574 E575 Y576	C313-F321 VanDerWaalsContact CA-O 3.3Å; C313-F321 WeakPolarHBondContact CA-O 3.26Å; C313-F322 VanDerWaalsContact SG-CD1 3.52Å; C313-F574 HydrophobicContact CB-CD1 4.06Å; C313-F574 HydrophobicContact CB-CE1 3.62Å; C313-F574 HydrophobicContact CB-CZ 3.91Å; C313-F574 VanDerWaalsContact CB-O 3.25Å; C313-F574 WeakPolarHBondContact CB-O 3.34Å; C313-E575 WeakPolarHBondContact O-CA 3.32Å; C313-Y576 PolarHBondContact N-O 3.34Å; C313-Y576 PolarHBondContact O-N 2.78Å
314	F	95.1	Very high	94.2	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.018	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	170.6	170.1	65.8	-98.2	0	0	0	110.6	L241 L243 F246 M274 F321 V323 F574	L241-F314 WeakPolarHBondContact O-CB 3.48Å; L241-F314 WeakPolarHBondContact O-CG 3.07Å; L243-F314 HydrophobicContact CB-CE2 3.88Å; L243-F314 HydrophobicContact CB-CZ 4.35Å; L243-F314 HydrophobicContact CD1-CE2 4.47Å; L243-F314 HydrophobicContact CD1-CZ 4.39Å; L243-F314 VanDerWaalsContact N-CE2 3.31Å; F246-F314 AromaticContact CD2-CE1 4Å; F246-F314 HydrophobicContact CD2-CE1 4Å; F246-F314 HydrophobicContact CD2-CZ 4.16Å; F246-F314 HydrophobicContact CE2-CD1 4.35Å; F246-F314 AromaticContact CE2-CE1 3.53Å; F246-F314 HydrophobicContact CE2-CE1 3.53Å; F246-F314 HydrophobicContact CE2-CZ 4.16Å; F246-F314 HydrophobicContact CZ-CE1 4.31Å; M274-F314 HydrophobicContact CE-CE1 3.99Å; M274-F314 HydrophobicContact CE-CZ 3.63Å; M274-F314 HydrophobicContact SD-CZ 4.34Å; F314-F321 HydrophobicContact CD1-CB 4.25Å; F314-F321 HydrophobicContact CD2-CB 3.84Å; F314-F321 AromaticContact CD2-CD2 3.69Å; F314-F321 HydrophobicContact CD2-CD2 3.69Å; F314-F321 HydrophobicContact CD2-CE2 4.47Å; F314-F321 AromaticContact CD2-CG 3.9Å; F314-F321 HydrophobicContact CD2-CG 3.9Å; F314-F321 HydrophobicContact CE1-CB 3.98Å; F314-F321 HydrophobicContact CE2-CB 3.52Å; F314-F321 AromaticContact CE2-CD1 3.86Å; F314-F321 HydrophobicContact CE2-CD1 3.86Å; F314-F321 AromaticContact CE2-CD2 3.42Å; F314-F321 HydrophobicContact CE2-CD2 3.42Å; F314-F321 VanDerWaalsContact CE2-CD2 3.42Å; F314-F321 HydrophobicContact CE2-CE1 4.42Å; F314-F321 HydrophobicContact CE2-CE2 4.04Å; F314-F321 AromaticContact CE2-CG 3.32Å; F314-F321 HydrophobicContact CE2-CG 3.32Å; F314-F321 HydrophobicContact CG-CB 4.18Å; F314-F321 HydrophobicContact CZ-CB 3.6Å; F314-F321 HydrophobicContact CZ-CD1 4.02Å; F314-F321 HydrophobicContact CZ-CD2 4.29Å; F314-F321 AromaticContact CZ-CG 3.73Å; F314-F321 HydrophobicContact CZ-CG 3.73Å; F314-F321 PolarHBondContact N-O 3.31Å; F314-F321 VanDerWaalsContact N-O 3.08Å; F314-F321 WeakPolarHBondContact O-CB 3.36Å; F314-F321 PolarHBondContact O-N 2.96Å; F314-V323 HydrophobicContact CD1-CG2 4.26Å; F314-V323 HydrophobicContact CE1-CG2 3.67Å; F314-F574 VanDerWaalsContact O-CE1 3.27Å; F314-F574 WeakPolarHBondContact O-CE1 3.31Å
315	Q	94.4	Very high	94.2	Very high	42 Å²	42	17.3 Å²	17.3	20%	0.196	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	165.3	-175.9	60.9	-174.9	-42.9	0	0	113.4	K279 R319 L320 F571 F574 E575	K279-Q315 VanDerWaalsContact CE-OE1 3.28Å; Q315-R319 CarbonylContact C-O 3.55Å; Q315-R319 VanDerWaalsContact CA-O 3.31Å; Q315-R319 WeakPolarHBondContact CA-O 3.31Å; Q315-R319 WeakPolarHBondContact CB-O 3.24Å; Q315-L320 HydrophobicContact CB-CD2 3.84Å; Q315-F571 PolarHBondContact NE2-O 3.38Å; Q315-F574 HydrophobicContact CB-CD1 4.17Å; Q315-E575 VanDerWaalsContact CG-OE1 3.28Å; Q315-E575 WeakPolarHBondContact CG-OE1 3.16Å; Q315-E575 PolarHBondContact NE2-OE1 3.05Å
316	T	94.4	Very high	94.2	Very high	45 Å²	45	17 Å²	17	28%	0.276	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	175	160.2	62.8	0	0	0	0	108.6	K279 S318 R319 F321	K279-T316 WeakPolarHBondContact CE-O 3.38Å; K279-T316 PolarHBondContact NZ-O 3.31Å; T316-S318 PolarHBondContact O-N 2.89Å; T316-S318 PolarHBondContact OG1-OG 3.22Å; T316-R319 PolarHBondContact N-O 2.96Å; T316-R319 PolarHBondContact O-N 3.41Å; T316-R319 PolarHBondContact OG1-N 3.39Å; T316-F321 HydrophobicContact CG2-CE2 3.83Å; T316-F321 HydrophobicContact CG2-CZ 4.37Å
317	D	93.3	Very high	94.1	Very high	114 Å²	114	17.5 Å²	17.5	61%	0.61	9%	0.091	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.8	178.2	-51.3	-6.5	0	0	0	113.3	V563 Q568	D317-V563 HydrophobicContact CB-CG1 3.8Å; D317-Q568 PolarHBondContact O-NE2 3.31Å
318	S	92.4	Very high	94	Very high	7 Å²	7	18.7 Å²	18.7	5%	0.049	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-14	-173.7	54.1	0	0	0	0	115.7	K279 T316 D558	K279-S318 PolarHBondContact N-O 3.42Å; T316-S318 PolarHBondContact O-N 2.89Å; T316-S318 PolarHBondContact OG1-OG 3.22Å; S318-D558 VanDerWaalsContact CB-CG 3.44Å; S318-D558 VanDerWaalsContact CB-OD1 3.29Å; S318-D558 WeakPolarHBondContact CB-OD1 3.46Å; S318-D558 VanDerWaalsContact CB-OD2 3.27Å; S318-D558 WeakPolarHBondContact CB-OD2 3.4Å; S318-D558 VanDerWaalsContact OG-CG 3.27Å; S318-D558 PolarHBondContact OG-OD1 3.08Å; S318-D558 PolarHBondContact OG-OD2 3.03Å
319	R	94.3	Very high	94	Very high	14 Å²	14	18.9 Å²	18.9	5%	0.053	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.2	-166.8	-68.9	176.7	-174.3	74.5	19.5	113.9	V276 V277 K278 Q315 T316 F321 T556 D558	V276-R319 HydrophobicContact CG1-CB 4.27Å; V276-R319 HydrophobicContact CG1-CG 4.25Å; V277-R319 CarbonylContact O-C 3.59Å; V277-R319 VanDerWaalsContact O-CA 3.29Å; V277-R319 WeakPolarHBondContact O-CA 3.43Å; K278-R319 HydrophobicContact CG-CG 4.49Å; Q315-R319 CarbonylContact C-O 3.55Å; Q315-R319 VanDerWaalsContact CA-O 3.31Å; Q315-R319 WeakPolarHBondContact CA-O 3.31Å; Q315-R319 WeakPolarHBondContact CB-O 3.24Å; T316-R319 PolarHBondContact N-O 2.96Å; T316-R319 PolarHBondContact O-N 3.41Å; T316-R319 PolarHBondContact OG1-N 3.39Å; R319-F321 HydrophobicContact CB-CD2 4.25Å; R319-F321 HydrophobicContact CB-CE2 3.46Å; R319-F321 VanDerWaalsContact CB-CE2 3.46Å; R319-F321 HydrophobicContact CB-CZ 3.7Å; R319-F321 HydrophobicContact CG-CZ 4.44Å; R319-T556 PolarHBondContact NH2-O 3.25Å; R319-D558 IonicContact CZ-OD1 3.87Å; R319-D558 IonicContact CZ-OD2 2.64Å; R319-D558 IonicContact NH1-OD1 3.91Å; R319-D558 PolarHBondContact NH1-OD1 3.07Å; R319-D558 IonicContact NH1-OD2 3.85Å; R319-D558 PolarHBondContact NH1-OD2 3.37Å; R319-D558 IonicContact NH2-OD1 2.89Å; R319-D558 PolarHBondContact NH2-OD1 3.47Å
320	L	93.3	Very high	94.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.8	168.5	-56.4	178.8	0	0	0	109.1	V276 V277 K279 V291 Q315 F571 F574	V276-L320 WeakPolarHBondContact CA-O 3.17Å; V277-L320 HydrophobicContact CB-CB 4.43Å; V277-L320 PolarHBondContact N-O 2.89Å; V277-L320 PolarHBondContact O-N 3.29Å; K279-L320 HydrophobicContact CD-CD2 4.49Å; K279-L320 VanDerWaalsContact CE-CD2 3.49Å; K279-L320 HydrophobicContact CG-CD2 4.22Å; K279-L320 HydrophobicContact CG-CG 4.07Å; V291-L320 HydrophobicContact CB-CD1 4.49Å; V291-L320 HydrophobicContact CG1-CD1 3.59Å; V291-L320 HydrophobicContact CG2-CD1 4.04Å; Q315-L320 HydrophobicContact CB-CD2 3.84Å; L320-F571 HydrophobicContact CD1-CD1 3.87Å; L320-F571 HydrophobicContact CD1-CE1 3.92Å; L320-F571 HydrophobicContact CD2-CB 4.39Å; L320-F571 HydrophobicContact CD2-CD1 3.81Å; L320-F571 HydrophobicContact CD2-CE1 4.47Å; L320-F571 HydrophobicContact CD2-CG 4.27Å; L320-F571 HydrophobicContact CG-CD1 4.3Å; L320-F574 HydrophobicContact CB-CE1 3.91Å; L320-F574 HydrophobicContact CB-CE2 4.35Å; L320-F574 HydrophobicContact CB-CZ 3.81Å; L320-F574 HydrophobicContact CD1-CD2 4.39Å; L320-F574 HydrophobicContact CD1-CE2 4.13Å; L320-F574 HydrophobicContact CD1-CZ 4.42Å; L320-F574 HydrophobicContact CD2-CD1 3.85Å; L320-F574 HydrophobicContact CD2-CD2 4.17Å; L320-F574 HydrophobicContact CD2-CE1 4.07Å; L320-F574 HydrophobicContact CD2-CE2 4.39Å; L320-F574 HydrophobicContact CD2-CG 3.91Å; L320-F574 HydrophobicContact CD2-CZ 4.35Å; L320-F574 HydrophobicContact CG-CZ 4.43Å
321	F	94.9	Very high	94.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	122.9	-176.4	-59.4	-99.7	0	0	0	110	L243 M274 V276 C313 F314 T316 R319 L555	L243-F321 HydrophobicContact CD1-CD1 4.33Å; L243-F321 HydrophobicContact CD1-CE1 3.81Å; L243-F321 HydrophobicContact CD1-CZ 4.3Å; L243-F321 HydrophobicContact CD2-CE1 4.32Å; L243-F321 HydrophobicContact CD2-CZ 4.06Å; M274-F321 HydrophobicContact CG-CD1 4.09Å; M274-F321 HydrophobicContact SD-CD1 3.6Å; M274-F321 HydrophobicContact SD-CE1 4.21Å; V276-F321 HydrophobicContact CB-CD1 4.32Å; V276-F321 HydrophobicContact CB-CE1 4.37Å; V276-F321 HydrophobicContact CG1-CD1 3.88Å; V276-F321 HydrophobicContact CG1-CE1 3.58Å; V276-F321 HydrophobicContact CG1-CZ 4.09Å; V276-F321 HydrophobicContact CG2-CD1 3.71Å; V276-F321 HydrophobicContact CG2-CE1 3.88Å; C313-F321 VanDerWaalsContact CA-O 3.3Å; C313-F321 WeakPolarHBondContact CA-O 3.26Å; F314-F321 HydrophobicContact CD1-CB 4.25Å; F314-F321 HydrophobicContact CD2-CB 3.84Å; F314-F321 AromaticContact CD2-CD2 3.69Å; F314-F321 HydrophobicContact CD2-CD2 3.69Å; F314-F321 HydrophobicContact CD2-CE2 4.47Å; F314-F321 AromaticContact CD2-CG 3.9Å; F314-F321 HydrophobicContact CD2-CG 3.9Å; F314-F321 HydrophobicContact CE1-CB 3.98Å; F314-F321 HydrophobicContact CE2-CB 3.52Å; F314-F321 AromaticContact CE2-CD1 3.86Å; F314-F321 HydrophobicContact CE2-CD1 3.86Å; F314-F321 AromaticContact CE2-CD2 3.42Å; F314-F321 HydrophobicContact CE2-CD2 3.42Å; F314-F321 VanDerWaalsContact CE2-CD2 3.42Å; F314-F321 HydrophobicContact CE2-CE1 4.42Å; F314-F321 HydrophobicContact CE2-CE2 4.04Å; F314-F321 AromaticContact CE2-CG 3.32Å; F314-F321 HydrophobicContact CE2-CG 3.32Å; F314-F321 HydrophobicContact CG-CB 4.18Å; F314-F321 HydrophobicContact CZ-CB 3.6Å; F314-F321 HydrophobicContact CZ-CD1 4.02Å; F314-F321 HydrophobicContact CZ-CD2 4.29Å; F314-F321 AromaticContact CZ-CG 3.73Å; F314-F321 HydrophobicContact CZ-CG 3.73Å; F314-F321 PolarHBondContact N-O 3.31Å; F314-F321 VanDerWaalsContact N-O 3.08Å; F314-F321 WeakPolarHBondContact O-CB 3.36Å; F314-F321 PolarHBondContact O-N 2.96Å; T316-F321 HydrophobicContact CG2-CE2 3.83Å; T316-F321 HydrophobicContact CG2-CZ 4.37Å; R319-F321 HydrophobicContact CB-CD2 4.25Å; R319-F321 HydrophobicContact CB-CE2 3.46Å; R319-F321 VanDerWaalsContact CB-CE2 3.46Å; R319-F321 HydrophobicContact CB-CZ 3.7Å; R319-F321 HydrophobicContact CG-CZ 4.44Å; F321-L555 HydrophobicContact CE1-CD1 3.99Å; F321-L555 HydrophobicContact CZ-CD1 4.02Å
322	F	94.1	Very high	94.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.9	169.6	-57	-103.3	0	0	0	108.1	M274 K275 V277 V291 E294 K295 F298 L310 C313 I324 F574	M274-F322 CarbonylContact C-O 3.54Å; M274-F322 WeakPolarHBondContact CA-O 3.46Å; K275-F322 HydrophobicContact CB-CB 4.32Å; K275-F322 PolarHBondContact N-O 3.43Å; K275-F322 PolarHBondContact O-N 2.93Å; V277-F322 HydrophobicContact CG2-CE2 4.27Å; V291-F322 HydrophobicContact CG1-CZ 4.37Å; E294-F322 HydrophobicContact CG-CE1 4.31Å; E294-F322 HydrophobicContact CG-CZ 4.4Å; K295-F322 HydrophobicContact CB-CE1 4.15Å; F298-F322 HydrophobicContact CD2-CD1 4.13Å; F298-F322 HydrophobicContact CD2-CE1 4.47Å; F298-F322 HydrophobicContact CE2-CD1 4.37Å; L310-F322 HydrophobicContact CD1-CB 4.27Å; L310-F322 HydrophobicContact CD1-CD1 4.37Å; C313-F322 VanDerWaalsContact SG-CD1 3.52Å; F322-I324 HydrophobicContact CB-CG2 4.22Å; F322-F574 HydrophobicContact CD1-CZ 4.24Å; F322-F574 HydrophobicContact CD2-CZ 4.2Å; F322-F574 AromaticContact CE1-CE2 3.96Å; F322-F574 HydrophobicContact CE1-CE2 3.96Å; F322-F574 AromaticContact CE1-CZ 3.83Å; F322-F574 HydrophobicContact CE1-CZ 3.83Å; F322-F574 HydrophobicContact CE2-CE2 4.23Å; F322-F574 AromaticContact CE2-CZ 3.78Å; F322-F574 HydrophobicContact CE2-CZ 3.78Å; F322-F574 HydrophobicContact CG-CZ 4.42Å; F322-F574 AromaticContact CZ-CE2 3.66Å; F322-F574 HydrophobicContact CZ-CE2 3.66Å; F322-F574 AromaticContact CZ-CZ 3.59Å; F322-F574 HydrophobicContact CZ-CZ 3.59Å
323	V	95.6	Very high	94.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	114.5	173.2	-173.4	0	0	0	0	107.5	F246 Y272 M274 L310 H311 S312 F314	F246-V323 HydrophobicContact CE1-CG1 3.93Å; F246-V323 HydrophobicContact CE1-CG2 4.19Å; F246-V323 HydrophobicContact CE2-CG2 4.26Å; F246-V323 HydrophobicContact CZ-CG1 4.14Å; F246-V323 HydrophobicContact CZ-CG2 3.77Å; Y272-V323 HydrophobicContact CD1-CG1 4.03Å; Y272-V323 HydrophobicContact CD2-CG1 4.14Å; Y272-V323 HydrophobicContact CG-CG1 3.63Å; M274-V323 HydrophobicContact CE-CG2 4.12Å; L310-V323 WeakPolarHBondContact CD1-O 3.34Å; H311-V323 WeakPolarHBondContact CA-O 3.4Å; H311-V323 HydrophobicContact CB-CB 4.4Å; H311-V323 HydrophobicContact CB-CG1 4.13Å; H311-V323 WeakPolarHBondContact CB-O 3.31Å; H311-V323 PolarHBondContact N-O 3.39Å; S312-V323 PolarHBondContact N-O 2.98Å; S312-V323 WeakPolarHBondContact O-CB 3.21Å; S312-V323 PolarHBondContact O-N 2.61Å; S312-V323 WeakPolarHBondContact OG-CB 3.3Å; S312-V323 WeakPolarHBondContact OG-CG2 3.35Å; F314-V323 HydrophobicContact CD1-CG2 4.26Å; F314-V323 HydrophobicContact CE1-CG2 3.67Å
324	I	94.4	Very high	94.2	Very high	9 Å²	9	24.5 Å²	24.5	5%	0.046	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	163.1	-171.5	65	-177.5	0	0	0	110.3	Y272 A273 F298 V308 G309 L310 F322 Y326	Y272-I324 WeakPolarHBondContact CB-O 3.43Å; A273-I324 HydrophobicContact CB-CD1 4.39Å; A273-I324 HydrophobicContact CB-CG1 3.81Å; A273-I324 PolarHBondContact N-O 3.03Å; A273-I324 WeakPolarHBondContact O-CG1 3.34Å; A273-I324 PolarHBondContact O-N 3.22Å; F298-I324 HydrophobicContact CD1-CG2 4.12Å; F298-I324 HydrophobicContact CE1-CB 4.38Å; F298-I324 HydrophobicContact CE1-CG2 3.59Å; F298-I324 HydrophobicContact CE2-CG2 4.48Å; F298-I324 HydrophobicContact CZ-CD1 4.34Å; F298-I324 HydrophobicContact CZ-CG2 3.82Å; V308-I324 HydrophobicContact CG1-CB 3.97Å; V308-I324 HydrophobicContact CG1-CD1 4.11Å; V308-I324 HydrophobicContact CG1-CG1 4.23Å; G309-I324 CarbonylContact O-C 3.6Å; G309-I324 VanDerWaalsContact O-CA 3.31Å; G309-I324 WeakPolarHBondContact O-CA 3.26Å; G309-I324 WeakPolarHBondContact O-CB 3.19Å; L310-I324 HydrophobicContact CD1-CG2 3.84Å; F322-I324 HydrophobicContact CB-CG2 4.22Å; I324-Y326 PolarHBondContact O-N 3.31Å
325	E	93.3	Very high	94	Very high	68 Å²	68	24.7 Å²	24.7	32%	0.318	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	132.8	175.8	-175.4	-175.1	168.1	0	0	112.1	V308 G309 V327 K385	V308-E325 HydrophobicContact CG1-CB 4.24Å; G309-E325 PolarHBondContact N-OE2 3.07Å; G309-E325 PolarHBondContact O-N 3.21Å; E325-V327 HydrophobicContact CG-CG2 4.26Å; E325-K385 WeakPolarHBondContact OE1-CD 3.38Å; E325-K385 WeakPolarHBondContact OE1-CE 3.47Å; E325-K385 IonicContact OE1-NZ 3.63Å; E325-K385 PolarHBondContact OE1-NZ 3.49Å; E325-K385 IonicContact OE2-NZ 3.24Å; E325-K385 PolarHBondContact OE2-NZ 2.87Å
326	Y	95.6	Very high	93.9	Very high	34 Å²	34	23.5 Å²	23.5	13%	0.133	12%	0.121	C	C	.	.			trans	-85.3	119.6	174.2	178.8	-127.3	0	0	0	111	I252 L262 I271 A273 I324 N328 F539 F544	I252-Y326 HydrophobicContact CD1-CD2 4.07Å; I252-Y326 HydrophobicContact CD1-CE2 3.9Å; L262-Y326 HydrophobicContact CD1-CD1 3.72Å; L262-Y326 HydrophobicContact CD1-CD2 3.55Å; L262-Y326 HydrophobicContact CD1-CE1 3.64Å; L262-Y326 HydrophobicContact CD1-CE2 3.5Å; L262-Y326 VanDerWaalsContact CD1-CE2 3.5Å; L262-Y326 HydrophobicContact CD1-CG 3.67Å; I271-Y326 HydrophobicContact CG2-CD1 3.62Å; I271-Y326 HydrophobicContact CG2-CE1 4.22Å; I271-Y326 HydrophobicContact CG2-CG 4.1Å; A273-Y326 HydrophobicContact CB-CD2 4.44Å; I324-Y326 PolarHBondContact O-N 3.31Å; Y326-N328 HydrophobicContact CD1-CB 4.23Å; Y326-N328 HydrophobicContact CE1-CB 3.55Å; Y326-N328 HydrophobicContact CE2-CB 4.27Å; Y326-F539 WeakPolarHBondContact CE1-O 3.21Å; Y326-F539 PolarHBondContact OH-O 3.06Å; Y326-F544 HydrophobicContact CE2-CE1 4.42Å; Y326-F544 AromaticContact CE2-CE2 3.95Å; Y326-F544 HydrophobicContact CE2-CE2 3.95Å; Y326-F544 AromaticContact CE2-CZ 3.53Å; Y326-F544 HydrophobicContact CE2-CZ 3.53Å; Y326-F544 AromaticContact CZ-CE2 3.97Å; Y326-F544 VanDerWaalsContact OH-CE2 3.26Å; Y326-F544 WeakPolarHBondContact OH-CE2 3.43Å
327	V	95.8	Very high	93.7	Very high	10 Å²	10	27.6 Å²	27.6	6%	0.061	14%	0.137	C	C	.	.			trans	-116.7	115.5	-177.9	-176.9	0	0	0	0	108.3	V308 E325 L377 L378 D379 K385 F544	V308-V327 HydrophobicContact CG2-CG2 4.26Å; E325-V327 HydrophobicContact CG-CG2 4.26Å; V327-L377 HydrophobicContact CB-CB 4.24Å; V327-L377 HydrophobicContact CB-CD1 3.93Å; V327-L377 HydrophobicContact CG1-CB 3.64Å; V327-L377 HydrophobicContact CG1-CD1 4.27Å; V327-L377 HydrophobicContact CG2-CD1 4.37Å; V327-L378 VanDerWaalsContact CG1-C 3.49Å; V327-L378 WeakPolarHBondContact CG1-O 3.27Å; V327-D379 HydrophobicContact CG1-CB 4.36Å; V327-K385 HydrophobicContact CG2-CB 4.49Å; V327-K385 HydrophobicContact CG2-CD 3.7Å; V327-F544 WeakPolarHBondContact O-CZ 3.35Å
328	N	94.6	Very high	93.5	Very high	26 Å²	26	29 Å²	29	14%	0.139	13%	0.134	C	C	.	.			trans	-118	7.6	-160.6	72.9	-15.8	0	0	0	116.4	Y326 G330 I535 N543 F544	Y326-N328 HydrophobicContact CD1-CB 4.23Å; Y326-N328 HydrophobicContact CE1-CB 3.55Å; Y326-N328 HydrophobicContact CE2-CB 4.27Å; N328-G330 PolarHBondContact O-N 3.4Å; N328-I535 WeakPolarHBondContact O-CD1 3.21Å; N328-N543 PolarHBondContact O-ND2 3.36Å; N328-N543 VanDerWaalsContact O-ND2 3.08Å; N328-F544 HydrophobicContact CB-CE2 4.35Å
329	G	94.8	Very high	93.4	Very high	6 Å²	6	33.6 Å²	33.6	6%	0.062	16%	0.155	C	C	.	.	S	Bend	trans	-77.8	-1.3	172.3	0	0	0	0	0	114.3	L378	G329-L378 WeakPolarHBondContact CA-O 3.31Å; G329-L378 PolarHBondContact N-O 2.76Å
330	G	93.8	Very high	93.3	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	19%	0.189	C	C	.	.			trans	83.5	-157.6	-171.1	0	0	0	0	0	111.6	N328 L377 L378 N543	N328-G330 PolarHBondContact O-N 3.4Å; G330-L377 CarbonylContact O-C 3.59Å; G330-L377 WeakPolarHBondContact O-CA 3.49Å; G330-L378 PolarHBondContact O-N 3.3Å; G330-N543 WeakPolarHBondContact CA-O 3.44Å
331	D	94.3	Very high	93.4	Very high	42 Å²	42	46.6 Å²	46.6	23%	0.225	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-123.6	168.5	179.6	60.4	66	0	0	0	112.5	M333 F334 H335 V376 L377	D331-M333 VanDerWaalsContact C-N 3.27Å; D331-M333 PolarHBondContact O-N 3.06Å; D331-M333 VanDerWaalsContact OD1-CA 3.3Å; D331-M333 WeakPolarHBondContact OD1-CA 3.5Å; D331-M333 WeakPolarHBondContact OD1-CB 3.42Å; D331-M333 PolarHBondContact OD1-N 3.14Å; D331-F334 PolarHBondContact O-N 3.33Å; D331-F334 PolarHBondContact OD1-N 3.49Å; D331-H335 PolarHBondContact O-N 3.31Å; D331-V376 CarbonylContact C-O 3.59Å; D331-V376 WeakPolarHBondContact CA-O 3.34Å; D331-L377 HydrophobicContact CB-CD2 3.93Å
332	L	95.8	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.5	-23.7	178.2	-75.5	-171.9	0	0	0	113.1	M336 Y350 L373 V376 L378 L434 M438	L332-M336 WeakPolarHBondContact O-CB 3.42Å; L332-M336 WeakPolarHBondContact O-CG 3.5Å; L332-M336 PolarHBondContact O-N 3.26Å; L332-Y350 HydrophobicContact CD2-CD2 3.98Å; L332-Y350 HydrophobicContact CD2-CE2 3.93Å; L332-Y350 HydrophobicContact CD2-CG 4.38Å; L332-L373 HydrophobicContact CB-CD2 3.88Å; L332-L373 PolarHBondContact N-O 3.37Å; L332-V376 HydrophobicContact CB-CB 4.27Å; L332-V376 HydrophobicContact CD1-CB 3.78Å; L332-V376 HydrophobicContact CD1-CG1 3.54Å; L332-V376 HydrophobicContact CD1-CG2 4.35Å; L332-V376 HydrophobicContact CG-CB 3.95Å; L332-V376 HydrophobicContact CG-CG1 3.84Å; L332-V376 PolarHBondContact N-O 3.09Å; L332-L378 HydrophobicContact CD2-CD1 4.23Å; L332-L378 HydrophobicContact CD2-CD2 4.06Å; L332-L378 HydrophobicContact CD2-CG 4.29Å; L332-L434 HydrophobicContact CD1-CD2 4.28Å; L332-M438 HydrophobicContact CD1-SD 4.23Å
333	M	93.3	Very high	93.7	Very high	50 Å²	50	50 Å²	50	25%	0.246	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-50.3	174.5	176	65	79.6	0	0	109.9	D331 H335 M336 Q337 L373 D374	D331-M333 VanDerWaalsContact C-N 3.27Å; D331-M333 PolarHBondContact O-N 3.06Å; D331-M333 VanDerWaalsContact OD1-CA 3.3Å; D331-M333 WeakPolarHBondContact OD1-CA 3.5Å; D331-M333 WeakPolarHBondContact OD1-CB 3.42Å; D331-M333 PolarHBondContact OD1-N 3.14Å; M333-H335 VanDerWaalsContact C-N 3.34Å; M333-H335 PolarHBondContact O-N 2.87Å; M333-M336 CarbonylContact O-C 3.53Å; M333-M336 WeakPolarHBondContact O-CB 3.33Å; M333-M336 PolarHBondContact O-N 2.85Å; M333-M336 VanDerWaalsContact O-N 3.16Å; M333-Q337 WeakPolarHBondContact O-CG 3.13Å; M333-Q337 PolarHBondContact O-N 2.98Å; M333-L373 HydrophobicContact CB-CB 3.84Å; M333-L373 HydrophobicContact CE-CB 4.09Å; M333-L373 HydrophobicContact CE-CD1 4.22Å; M333-L373 PolarHBondContact N-O 2.68Å; M333-L373 HydrophobicContact SD-CD1 4.32Å; M333-D374 HydrophobicContact CB-CB 4.49Å; M333-D374 WeakPolarHBondContact CG-OD1 3.16Å
334	F	90.2	Very high	93.8	Very high	40 Å²	40	51.8 Å²	51.8	18%	0.175	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-40.7	175.7	-173.7	-113	0	0	0	112.3	D331 Q337 R338 N543	D331-F334 PolarHBondContact O-N 3.33Å; D331-F334 PolarHBondContact OD1-N 3.49Å; F334-Q337 PolarHBondContact O-N 3.27Å; F334-R338 PolarHBondContact O-N 3.03Å; F334-N543 HydrophobicContact CE1-CB 4.27Å
335	H	91.8	Very high	94	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.037	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-44	173	-171.5	69.6	0	0	0	111.7	D331 M333 R338 Q339 L342 L378 F531	D331-H335 PolarHBondContact O-N 3.31Å; M333-H335 VanDerWaalsContact C-N 3.34Å; M333-H335 PolarHBondContact O-N 2.87Å; H335-R338 PolarHBondContact O-N 3.22Å; H335-Q339 WeakPolarHBondContact O-CG 3.25Å; H335-Q339 PolarHBondContact O-N 3.43Å; H335-L342 WeakPolarHBondContact NE2-CD2 3.45Å; H335-L378 HydrophobicContact CB-CD1 4.41Å; H335-F531 AromaticContact CE1-CD1 3.29Å; H335-F531 WeakPolarHBondContact CE1-CD1 3.31Å; H335-F531 AromaticContact CE1-CD2 3.72Å; H335-F531 AromaticContact CE1-CE1 3.48Å; H335-F531 VanDerWaalsContact CE1-CE1 3.48Å; H335-F531 WeakPolarHBondContact CE1-CE1 3.37Å; H335-F531 AromaticContact CE1-CE2 3.89Å; H335-F531 AromaticContact CE1-CG 3.4Å; H335-F531 VanDerWaalsContact CE1-CG 3.4Å; H335-F531 WeakPolarHBondContact CE1-CG 3.46Å; H335-F531 AromaticContact CE1-CZ 3.78Å; H335-F531 AromaticContact ND1-CD1 3.57Å; H335-F531 AromaticContact ND1-CE1 3.3Å; H335-F531 VanDerWaalsContact ND1-CE1 3.3Å; H335-F531 WeakPolarHBondContact ND1-CE1 3.45Å; H335-F531 AromaticContact ND1-CZ 3.64Å
336	M	92.9	Very high	94.2	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.079	26%	0.257	C	S	.	.	H	α-helix	trans	-65.2	-38.8	176.5	-80.3	-62	-64.2	0	0	113	L332 M333 R338 Q339 R340 L342 L373 E437 M438	L332-M336 WeakPolarHBondContact O-CB 3.42Å; L332-M336 WeakPolarHBondContact O-CG 3.5Å; L332-M336 PolarHBondContact O-N 3.26Å; M333-M336 CarbonylContact O-C 3.53Å; M333-M336 WeakPolarHBondContact O-CB 3.33Å; M333-M336 PolarHBondContact O-N 2.85Å; M333-M336 VanDerWaalsContact O-N 3.16Å; M336-R338 VanDerWaalsContact C-N 3.28Å; M336-R338 PolarHBondContact O-N 2.64Å; M336-Q339 PolarHBondContact O-N 2.62Å; M336-R340 WeakPolarHBondContact CE-O 3.25Å; M336-R340 WeakPolarHBondContact O-CA 3.35Å; M336-R340 PolarHBondContact O-N 2.58Å; M336-L342 HydrophobicContact SD-CD1 4.14Å; M336-L342 HydrophobicContact SD-CD2 4.14Å; M336-L342 HydrophobicContact SD-CG 3.67Å; M336-L373 HydrophobicContact CG-CD1 4.22Å; M336-L373 HydrophobicContact CG-CD2 4.02Å; M336-E437 WeakPolarHBondContact CE-O 3.4Å; M336-M438 HydrophobicContact SD-CG 4.41Å
337	Q	90.3	Very high	94.3	Very high	131 Å²	131	54.5 Å²	54.5	61%	0.612	25%	0.25	S	S	*	.	H	α-helix	trans	-60.7	-38.2	175	-72.2	172.9	12.2	0	0	111.8	M333 F334	M333-Q337 WeakPolarHBondContact O-CG 3.13Å; M333-Q337 PolarHBondContact O-N 2.98Å; F334-Q337 PolarHBondContact O-N 3.27Å
338	R	87.9	Confident	94.5	Very high	144 Å²	144	55.5 Å²	55.5	54%	0.543	25%	0.253	S	S	.	.	H	α-helix	trans	-74.3	-47.2	177	-71.7	177.2	168	-178.1	-2.5	112.9	F334 H335 M336	F334-R338 PolarHBondContact O-N 3.03Å; H335-R338 PolarHBondContact O-N 3.22Å; M336-R338 VanDerWaalsContact C-N 3.28Å; M336-R338 PolarHBondContact O-N 2.64Å
339	Q	91.4	Very high	94.7	Very high	103 Å²	103	55.2 Å²	55.2	48%	0.481	25%	0.25	S	S	.	.	H	α-helix	trans	-83.7	-20.9	-175.9	-63.8	-59.7	-28.4	0	0	114	H335 M336 K341 L342	H335-Q339 WeakPolarHBondContact O-CG 3.25Å; H335-Q339 PolarHBondContact O-N 3.43Å; M336-Q339 PolarHBondContact O-N 2.62Å; Q339-K341 PolarHBondContact O-N 3.09Å; Q339-L342 HydrophobicContact CB-CD2 3.8Å; Q339-L342 HydrophobicContact CG-CD2 4Å
340	R	92.1	Very high	94.9	Very high	206 Å²	206	54.9 Å²	54.9	78%	0.777	25%	0.247	S	C	*	.	S	Bend	trans	61.7	-37.9	-168.8	-54.9	-178	177.1	-165.3	-2.7	115.5	M336 G441	M336-R340 WeakPolarHBondContact CE-O 3.25Å; M336-R340 WeakPolarHBondContact O-CA 3.35Å; M336-R340 PolarHBondContact O-N 2.58Å; R340-G441 WeakPolarHBondContact O-CA 3.48Å
341	K	94.5	Very high	95.1	Very high	82 Å²	82	54.7 Å²	54.7	36%	0.357	25%	0.245	S	C	.	.	S	Bend	trans	-156.1	140.3	178.1	162.4	174.9	163.7	144.7	0	109.1	Q339 M439	Q339-K341 PolarHBondContact O-N 3.09Å; K341-M439 VanDerWaalsContact CD-O 3.23Å; K341-M439 WeakPolarHBondContact CD-O 3.45Å; K341-M439 WeakPolarHBondContact CE-O 3.43Å; K341-M439 PolarHBondContact NZ-O 3.41Å
342	L	97.3	Very high	95.3	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.016	24%	0.235	C	C	.	.			trans	-93.2	151.5	175.9	-53.4	-174.4	0	0	0	112.4	H335 M336 Q339 H346 Y350 M438	H335-L342 WeakPolarHBondContact NE2-CD2 3.45Å; M336-L342 HydrophobicContact SD-CD1 4.14Å; M336-L342 HydrophobicContact SD-CD2 4.14Å; M336-L342 HydrophobicContact SD-CG 3.67Å; Q339-L342 HydrophobicContact CB-CD2 3.8Å; Q339-L342 HydrophobicContact CG-CD2 4Å; L342-H346 HydrophobicContact CB-CB 4.11Å; L342-H346 HydrophobicContact CD1-CB 4.41Å; L342-Y350 HydrophobicContact CD1-CD2 3.96Å; L342-Y350 HydrophobicContact CD1-CE2 3.89Å; L342-M438 HydrophobicContact CD1-CB 4.12Å; L342-M438 HydrophobicContact CD1-CG 3.93Å; L342-M438 HydrophobicContact CD1-SD 3.93Å; L342-M438 HydrophobicContact CG-CB 4.45Å; L342-M438 PolarHBondContact N-O 3.46Å
343	P	97.8	Very high	95.5	Very high	68 Å²	68	52.7 Å²	52.7	44%	0.442	24%	0.235	S	C	.	.			trans	-60.3	151.2	162.4	-20.7	33.2	0	0	0	111.6	E345 H346 A347	P343-E345 PolarHBondContact O-N 2.76Å; P343-E345 VanDerWaalsContact O-N 3.08Å; P343-H346 PolarHBondContact O-N 3.07Å; P343-H346 VanDerWaalsContact O-N 3.08Å; P343-A347 PolarHBondContact O-N 3.49Å; P343-A347 VanDerWaalsContact O-N 3.08Å
344	E	98.1	Very high	95.7	Very high	37 Å²	37	50.3 Å²	50.3	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-25.9	179.2	-65.9	-170.7	-169.4	0	0	113.2	R348 M439 L477 S478 A481 F513	E344-R348 VanDerWaalsContact O-CB 3.24Å; E344-R348 WeakPolarHBondContact O-CB 3.49Å; E344-R348 PolarHBondContact O-N 2.96Å; E344-M439 HydrophobicContact CB-SD 4.39Å; E344-M439 HydrophobicContact CG-SD 3.95Å; E344-L477 WeakPolarHBondContact OE1-CA 3.48Å; E344-S478 WeakPolarHBondContact OE1-CB 3.4Å; E344-S478 PolarHBondContact OE1-N 2.82Å; E344-S478 PolarHBondContact OE1-OG 2.79Å; E344-S478 VanDerWaalsContact OE2-CB 3.24Å; E344-S478 WeakPolarHBondContact OE2-CB 3.24Å; E344-S478 PolarHBondContact OE2-OG 3.4Å; E344-A481 HydrophobicContact CG-CB 4.34Å; E344-A481 WeakPolarHBondContact OE2-CB 3.18Å; E344-F513 HydrophobicContact CB-CE2 4.33Å
345	E	97.8	Very high	96.1	Very high	122 Å²	122	48.4 Å²	48.4	57%	0.57	22%	0.215	S	C	*	.	H	α-helix	trans	-75.2	-36.2	179.3	-47.7	-143.1	107.7	0	0	112.2	P343 R348 F349	P343-E345 PolarHBondContact O-N 2.76Å; P343-E345 VanDerWaalsContact O-N 3.08Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-R348 IonicContact OE1-CZ 2.72Å; E345-R348 IonicContact OE1-NH1 2.61Å; E345-R348 PolarHBondContact OE1-NH1 3.3Å; E345-R348 IonicContact OE1-NH2 2.98Å; E345-F349 PolarHBondContact O-N 2.54Å
346	H	98.2	Very high	96.4	Very high	47 Å²	47	48.6 Å²	48.6	22%	0.218	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-46.2	173.7	-65.7	-135.2	0	0	0	109.7	L342 P343 R348 F349 Y350 P530	L342-H346 HydrophobicContact CB-CB 4.11Å; L342-H346 HydrophobicContact CD1-CB 4.41Å; P343-H346 PolarHBondContact O-N 3.07Å; P343-H346 VanDerWaalsContact O-N 3.08Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact O-N 3.06Å; H346-F349 PolarHBondContact O-N 3.06Å; H346-Y350 HydrophobicContact CB-CE2 4.44Å; H346-Y350 VanDerWaalsContact O-CD2 3.31Å; H346-Y350 WeakPolarHBondContact O-CD2 3.21Å; H346-Y350 PolarHBondContact O-N 2.69Å; H346-P530 HydrophobicContact CB-CB 4.38Å; H346-P530 HydrophobicContact CB-CG 4.15Å; H346-P530 PolarHBondContact CE1-O 2.92Å
347	A	98.4	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.1	-37.6	175.1	0	0	0	0	0	112.1	P343 S351 M438 M439	P343-A347 PolarHBondContact O-N 3.49Å; P343-A347 VanDerWaalsContact O-N 3.08Å; A347-S351 VanDerWaalsContact O-CB 3.24Å; A347-S351 WeakPolarHBondContact O-CB 3.49Å; A347-S351 PolarHBondContact O-N 3.14Å; A347-S351 PolarHBondContact O-OG 3.5Å; A347-M438 HydrophobicContact CB-CB 4.01Å; A347-M438 HydrophobicContact CB-CE 4.05Å; A347-M438 HydrophobicContact CB-SD 4.41Å; A347-M439 HydrophobicContact CB-CG 3.49Å; A347-M439 VanDerWaalsContact CB-CG 3.49Å; A347-M439 HydrophobicContact CB-SD 4.15Å
348	R	98.8	Very high	97.1	Very high	31 Å²	31	41.6 Å²	41.6	12%	0.117	18%	0.183	C	C	.	.	H	α-helix	trans	-63.3	-46.3	174	-176.2	-166.4	-57.6	124.6	12.7	112.3	E344 E345 H346 S351 A352 F513 F514 V517	E344-R348 VanDerWaalsContact O-CB 3.24Å; E344-R348 WeakPolarHBondContact O-CB 3.49Å; E344-R348 PolarHBondContact O-N 2.96Å; E345-R348 PolarHBondContact O-N 3.11Å; E345-R348 IonicContact OE1-CZ 2.72Å; E345-R348 IonicContact OE1-NH1 2.61Å; E345-R348 PolarHBondContact OE1-NH1 3.3Å; E345-R348 IonicContact OE1-NH2 2.98Å; H346-R348 VanDerWaalsContact C-N 3.28Å; H346-R348 PolarHBondContact O-N 3.06Å; R348-S351 PolarHBondContact O-OG 3.27Å; R348-A352 VanDerWaalsContact O-CB 3.31Å; R348-A352 WeakPolarHBondContact O-CB 3.47Å; R348-A352 PolarHBondContact O-N 2.88Å; R348-F513 HydrophobicContact CB-CE1 3.7Å; R348-F513 HydrophobicContact CB-CZ 3.8Å; R348-F513 WeakPolarHBondContact CD-O 3.33Å; R348-F513 HydrophobicContact CG-CD1 4.3Å; R348-F513 HydrophobicContact CG-CE1 3.96Å; R348-F513 HydrophobicContact CG-CZ 4.44Å; R348-F513 PolarHBondContact NE-O 2.79Å; R348-F514 HydrophobicContact CG-CD1 3.91Å; R348-F514 HydrophobicContact CG-CE1 4.31Å; R348-V517 HydrophobicContact CG-CG2 3.89Å
349	F	98.8	Very high	97.5	Very high	19 Å²	19	36 Å²	36	8%	0.083	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-57.7	178.5	-179.6	-89.2	0	0	0	110.7	E345 H346 S351 A352 E353 H383 L522 V527 P529 P530	E345-F349 PolarHBondContact O-N 2.54Å; H346-F349 PolarHBondContact O-N 3.06Å; F349-S351 PolarHBondContact O-N 2.65Å; F349-A352 PolarHBondContact O-N 3.09Å; F349-A352 VanDerWaalsContact O-N 3.14Å; F349-E353 HydrophobicContact CE1-CG 4.26Å; F349-E353 WeakPolarHBondContact CE1-OE1 3.46Å; F349-E353 WeakPolarHBondContact CE1-OE2 3.34Å; F349-E353 HydrophobicContact CZ-CG 4.43Å; F349-E353 WeakPolarHBondContact CZ-OE1 3.5Å; F349-E353 PolarHBondContact O-N 2.93Å; F349-E353 VanDerWaalsContact O-N 3.14Å; F349-H383 AromaticContact CZ-ND1 3.77Å; F349-L522 HydrophobicContact CD2-CD1 4.06Å; F349-L522 HydrophobicContact CE2-CD1 3.6Å; F349-L522 HydrophobicContact CZ-CD1 4.1Å; F349-V527 HydrophobicContact CD2-CG1 4.12Å; F349-V527 HydrophobicContact CE2-CB 4.16Å; F349-V527 HydrophobicContact CE2-CG1 3.81Å; F349-P529 HydrophobicContact CE1-CB 4.06Å; F349-P529 HydrophobicContact CE1-CG 4.3Å; F349-P529 HydrophobicContact CZ-CB 4Å; F349-P529 HydrophobicContact CZ-CG 3.91Å; F349-P530 HydrophobicContact CB-CG 4.04Å; F349-P530 HydrophobicContact CD1-CG 3.97Å; F349-P530 HydrophobicContact CG-CG 4.03Å
350	Y	98.8	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.4	-41.7	-178.7	-59.8	-42.7	0	0	0	112.7	L332 L342 H346 A352 E353 I354 L378 I384 M438 P530	L332-Y350 HydrophobicContact CD2-CD2 3.98Å; L332-Y350 HydrophobicContact CD2-CE2 3.93Å; L332-Y350 HydrophobicContact CD2-CG 4.38Å; L342-Y350 HydrophobicContact CD1-CD2 3.96Å; L342-Y350 HydrophobicContact CD1-CE2 3.89Å; H346-Y350 HydrophobicContact CB-CE2 4.44Å; H346-Y350 VanDerWaalsContact O-CD2 3.31Å; H346-Y350 WeakPolarHBondContact O-CD2 3.21Å; H346-Y350 PolarHBondContact O-N 2.69Å; Y350-A352 VanDerWaalsContact C-N 3.3Å; Y350-A352 PolarHBondContact O-N 2.82Å; Y350-E353 PolarHBondContact O-N 3.3Å; Y350-I354 WeakPolarHBondContact O-CB 3.37Å; Y350-I354 WeakPolarHBondContact O-CD1 3.28Å; Y350-I354 WeakPolarHBondContact O-CG1 3.47Å; Y350-I354 PolarHBondContact O-N 3.43Å; Y350-L378 HydrophobicContact CD1-CD2 4.42Å; Y350-L378 HydrophobicContact CE1-CD2 3.82Å; Y350-I384 HydrophobicContact CD1-CG2 3.56Å; Y350-I384 HydrophobicContact CE1-CG2 4.31Å; Y350-I384 HydrophobicContact CG-CG2 4.18Å; Y350-M438 HydrophobicContact CD2-SD 4.04Å; Y350-P530 HydrophobicContact CE1-CG 4.43Å
351	S	98.8	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-28.3	177.5	55.5	0	0	0	0	113.5	A347 R348 F349 S355 M435 F514	A347-S351 VanDerWaalsContact O-CB 3.24Å; A347-S351 WeakPolarHBondContact O-CB 3.49Å; A347-S351 PolarHBondContact O-N 3.14Å; A347-S351 PolarHBondContact O-OG 3.5Å; R348-S351 PolarHBondContact O-OG 3.27Å; F349-S351 PolarHBondContact O-N 2.65Å; S351-S355 VanDerWaalsContact O-CB 3.31Å; S351-S355 WeakPolarHBondContact O-CB 3.41Å; S351-S355 PolarHBondContact O-N 3.18Å; S351-S355 PolarHBondContact O-OG 3.38Å; S351-M435 WeakPolarHBondContact OG-CE 3.48Å; S351-F514 WeakPolarHBondContact OG-CE1 3.41Å
352	A	98.8	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71	-44.9	173.6	0	0	0	0	0	111.8	R348 F349 Y350 I354 S355 L356 F514 V517 W519 L522	R348-A352 VanDerWaalsContact O-CB 3.31Å; R348-A352 WeakPolarHBondContact O-CB 3.47Å; R348-A352 PolarHBondContact O-N 2.88Å; F349-A352 PolarHBondContact O-N 3.09Å; F349-A352 VanDerWaalsContact O-N 3.14Å; Y350-A352 VanDerWaalsContact C-N 3.3Å; Y350-A352 PolarHBondContact O-N 2.82Å; A352-I354 PolarHBondContact O-N 2.89Å; A352-S355 WeakPolarHBondContact O-CB 3.22Å; A352-S355 PolarHBondContact O-N 2.82Å; A352-S355 VanDerWaalsContact O-N 3.12Å; A352-L356 PolarHBondContact O-N 2.89Å; A352-F514 HydrophobicContact CB-CD1 4.18Å; A352-F514 HydrophobicContact CB-CE1 4.13Å; A352-V517 HydrophobicContact CB-CG1 4.01Å; A352-V517 HydrophobicContact CB-CG2 4.15Å; A352-W519 HydrophobicContact CB-CE3 4.42Å; A352-W519 HydrophobicContact CB-CH2 3.8Å; A352-W519 HydrophobicContact CB-CZ3 3.75Å; A352-W519 WeakPolarHBondContact O-CZ3 3.48Å; A352-L522 HydrophobicContact CB-CD2 3.41Å; A352-L522 VanDerWaalsContact CB-CD2 3.41Å
353	E	98.8	Very high	97.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.4	-63.1	-170.1	145.9	0	0	112.2	F306 F349 Y350 S355 L356 A357 H383 I384 L522	F306-E353 HydrophobicContact CD1-CB 4.16Å; F306-E353 HydrophobicContact CD1-CG 4.34Å; F306-E353 HydrophobicContact CD2-CB 4.09Å; F306-E353 HydrophobicContact CE1-CB 4.09Å; F306-E353 HydrophobicContact CE1-CG 3.78Å; F306-E353 WeakPolarHBondContact CE1-OE1 3.28Å; F306-E353 HydrophobicContact CE2-CB 4.02Å; F306-E353 HydrophobicContact CE2-CG 4Å; F306-E353 HydrophobicContact CG-CB 4.16Å; F306-E353 HydrophobicContact CZ-CB 4.01Å; F306-E353 HydrophobicContact CZ-CG 3.58Å; F306-E353 WeakPolarHBondContact CZ-OE1 3.36Å; F349-E353 HydrophobicContact CE1-CG 4.26Å; F349-E353 WeakPolarHBondContact CE1-OE1 3.46Å; F349-E353 WeakPolarHBondContact CE1-OE2 3.34Å; F349-E353 HydrophobicContact CZ-CG 4.43Å; F349-E353 WeakPolarHBondContact CZ-OE1 3.5Å; F349-E353 PolarHBondContact O-N 2.93Å; F349-E353 VanDerWaalsContact O-N 3.14Å; Y350-E353 PolarHBondContact O-N 3.3Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.38Å; E353-L356 PolarHBondContact O-N 3.22Å; E353-A357 PolarHBondContact O-N 2.9Å; E353-H383 IonicContact OE1-CE1 2.7Å; E353-H383 IonicContact OE1-CG 2.8Å; E353-H383 IonicContact OE1-ND1 3.85Å; E353-H383 PolarHBondContact OE1-ND1 3.05Å; E353-I384 HydrophobicContact CB-CD1 4.23Å; E353-I384 HydrophobicContact CB-CG1 3.43Å; E353-I384 VanDerWaalsContact CB-CG1 3.43Å; E353-I384 HydrophobicContact CG-CG1 4.48Å; E353-I384 WeakPolarHBondContact OE2-CG1 3.3Å; E353-I384 PolarHBondContact OE2-N 3.05Å; E353-L522 HydrophobicContact CG-CD1 3.71Å; E353-L522 HydrophobicContact CG-CD2 3.92Å; E353-L522 HydrophobicContact CG-CG 3.89Å
354	I	98.8	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-39.5	172.8	-63.7	162	0	0	0	110.5	Y350 A352 L356 A357 L358 L371 V376 I384 L386 L431 L434	Y350-I354 WeakPolarHBondContact O-CB 3.37Å; Y350-I354 WeakPolarHBondContact O-CD1 3.28Å; Y350-I354 WeakPolarHBondContact O-CG1 3.47Å; Y350-I354 PolarHBondContact O-N 3.43Å; A352-I354 PolarHBondContact O-N 2.89Å; I354-L356 PolarHBondContact O-N 3.08Å; I354-A357 PolarHBondContact O-N 3.16Å; I354-L358 HydrophobicContact CG2-CD1 4.07Å; I354-L358 HydrophobicContact CG2-CG 4.21Å; I354-L358 WeakPolarHBondContact O-CB 3.43Å; I354-L358 WeakPolarHBondContact O-CG 3.35Å; I354-L358 PolarHBondContact O-N 3.08Å; I354-L371 HydrophobicContact CG2-CD1 4Å; I354-L371 HydrophobicContact CG2-CD2 3.86Å; I354-V376 HydrophobicContact CD1-CG1 4.1Å; I354-V376 HydrophobicContact CD1-CG2 4.09Å; I354-V376 HydrophobicContact CG1-CG1 4.21Å; I354-V376 HydrophobicContact CG1-CG2 4.5Å; I354-I384 HydrophobicContact CG1-CD1 3.8Å; I354-I384 HydrophobicContact CG1-CG1 4.07Å; I354-L386 HydrophobicContact CG1-CD2 4.27Å; I354-L386 HydrophobicContact CG2-CD2 4.36Å; I354-L431 HydrophobicContact CB-CD1 4.2Å; I354-L431 HydrophobicContact CD1-CD1 4.44Å; I354-L431 HydrophobicContact CG2-CD1 3.85Å; I354-L434 HydrophobicContact CD1-CD1 4.48Å; I354-L434 HydrophobicContact CD1-CD2 4.16Å
355	S	98.8	Very high	97.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-36.9	179.2	-58.2	0	0	0	0	112.4	S351 A352 E353 N359 L431	S351-S355 VanDerWaalsContact O-CB 3.31Å; S351-S355 WeakPolarHBondContact O-CB 3.41Å; S351-S355 PolarHBondContact O-N 3.18Å; S351-S355 PolarHBondContact O-OG 3.38Å; A352-S355 WeakPolarHBondContact O-CB 3.22Å; A352-S355 PolarHBondContact O-N 2.82Å; A352-S355 VanDerWaalsContact O-N 3.12Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.38Å; S355-N359 VanDerWaalsContact O-CB 3.32Å; S355-N359 WeakPolarHBondContact O-CB 3.42Å; S355-N359 PolarHBondContact O-N 3.08Å; S355-L431 VanDerWaalsContact OG-CD2 3.26Å; S355-L431 WeakPolarHBondContact OG-CD2 3.46Å
356	L	98.6	Very high	97.4	Very high	11 Å²	11	20 Å²	20	6%	0.058	9%	0.089	C	C	.	.	H	α-helix	trans	-63.6	-47.3	171.6	-73.8	164.7	0	0	0	111.1	F306 A352 E353 I354 L358 N359 Y360 F505 W519 L522 E523	F306-L356 HydrophobicContact CD2-CB 4.14Å; F306-L356 HydrophobicContact CD2-CD1 4.42Å; F306-L356 HydrophobicContact CE2-CB 4.35Å; F306-L356 HydrophobicContact CE2-CD1 3.81Å; A352-L356 PolarHBondContact O-N 2.89Å; E353-L356 PolarHBondContact O-N 3.22Å; I354-L356 PolarHBondContact O-N 3.08Å; L356-L358 PolarHBondContact O-N 2.85Å; L356-N359 PolarHBondContact O-N 3.43Å; L356-Y360 WeakPolarHBondContact O-CB 3.46Å; L356-Y360 PolarHBondContact O-N 2.84Å; L356-F505 HydrophobicContact CD2-CE1 4.29Å; L356-F505 HydrophobicContact CD2-CZ 3.86Å; L356-F505 HydrophobicContact CG-CZ 4.39Å; L356-W519 HydrophobicContact CD1-CE3 4.14Å; L356-W519 HydrophobicContact CD2-CE3 4.08Å; L356-W519 HydrophobicContact CG-CE3 3.89Å; L356-W519 HydrophobicContact CG-CZ3 4.17Å; L356-L522 HydrophobicContact CD1-CB 4.32Å; L356-L522 HydrophobicContact CD1-CD2 3.97Å; L356-L522 HydrophobicContact CD1-CG 4.13Å; L356-E523 HydrophobicContact CD1-CB 4.02Å
357	A	98.4	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.3	-43.2	177.6	0	0	0	0	0	113.1	H304 F306 L307 E353 I354 L361 L386	H304-A357 VanDerWaalsContact CE1-CA 3.46Å; H304-A357 WeakPolarHBondContact CE1-CA 3.41Å; F306-A357 HydrophobicContact CB-CB 3.96Å; L307-A357 HydrophobicContact CD2-CB 3.95Å; E353-A357 PolarHBondContact O-N 2.9Å; I354-A357 PolarHBondContact O-N 3.16Å; A357-L361 WeakPolarHBondContact O-CG 3.27Å; A357-L361 PolarHBondContact O-N 2.6Å; A357-L386 HydrophobicContact CB-CD1 3.66Å; A357-L386 HydrophobicContact CB-CG 4.02Å
358	L	98.3	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.3	-46.1	174.8	-70.6	178	0	0	0	111.8	I354 L356 Y360 L361 H362 Y368 L371 L386 D427 W428	I354-L358 HydrophobicContact CG2-CD1 4.07Å; I354-L358 HydrophobicContact CG2-CG 4.21Å; I354-L358 WeakPolarHBondContact O-CB 3.43Å; I354-L358 WeakPolarHBondContact O-CG 3.35Å; I354-L358 PolarHBondContact O-N 3.08Å; L356-L358 PolarHBondContact O-N 2.85Å; L358-Y360 VanDerWaalsContact C-N 3.32Å; L358-Y360 PolarHBondContact O-N 2.91Å; L358-L361 WeakPolarHBondContact O-CB 3.5Å; L358-L361 PolarHBondContact O-N 2.93Å; L358-L361 VanDerWaalsContact O-N 3.14Å; L358-H362 PolarHBondContact O-CD2 2.75Å; L358-H362 PolarHBondContact O-N 3.45Å; L358-Y368 HydrophobicContact CD2-CD1 4.07Å; L358-Y368 HydrophobicContact CD2-CG 4.37Å; L358-L371 HydrophobicContact CD1-CD2 4.16Å; L358-L386 HydrophobicContact CD2-CD1 4.23Å; L358-D427 HydrophobicContact CD1-CB 4.05Å; L358-D427 HydrophobicContact CD2-CB 3.91Å; L358-W428 HydrophobicContact CB-CH2 3.93Å; L358-W428 HydrophobicContact CB-CZ2 4.45Å; L358-W428 HydrophobicContact CB-CZ3 4.21Å; L358-W428 HydrophobicContact CD1-CE3 4.12Å; L358-W428 HydrophobicContact CD1-CH2 4.43Å; L358-W428 HydrophobicContact CD1-CZ3 3.9Å
359	N	97.1	Very high	97.1	Very high	26 Å²	26	17.8 Å²	17.8	14%	0.139	8%	0.079	C	C	.	.	H	α-helix	trans	-60.5	-42	179.4	-175.4	74.7	0	0	0	111.8	S355 L356 L361 H362 E363 F505	S355-N359 VanDerWaalsContact O-CB 3.32Å; S355-N359 WeakPolarHBondContact O-CB 3.42Å; S355-N359 PolarHBondContact O-N 3.08Å; L356-N359 PolarHBondContact O-N 3.43Å; N359-L361 VanDerWaalsContact C-N 3.28Å; N359-L361 PolarHBondContact O-N 3.29Å; N359-H362 PolarHBondContact O-N 2.74Å; N359-H362 VanDerWaalsContact O-N 3.17Å; N359-E363 VanDerWaalsContact ND2-CD 3.32Å; N359-E363 PolarHBondContact ND2-OE1 3.36Å; N359-E363 WeakPolarHBondContact O-CB 3.29Å; N359-E363 WeakPolarHBondContact O-CG 3.01Å; N359-E363 PolarHBondContact O-N 2.88Å; N359-F505 HydrophobicContact CB-CD1 4.15Å; N359-F505 HydrophobicContact CB-CD2 3.79Å; N359-F505 HydrophobicContact CB-CE1 4.23Å; N359-F505 HydrophobicContact CB-CE2 3.9Å; N359-F505 HydrophobicContact CB-CG 3.95Å; N359-F505 HydrophobicContact CB-CZ 4.13Å; N359-F505 VanDerWaalsContact OD1-CB 3.26Å; N359-F505 WeakPolarHBondContact OD1-CB 3.48Å; N359-F505 WeakPolarHBondContact OD1-CG 3.34Å
360	Y	96.8	Very high	97	Very high	28 Å²	28	17.2 Å²	17.2	11%	0.11	8%	0.077	C	C	.	.	H	α-helix	trans	-56.4	-40.3	175.1	176.9	-85.1	0	0	0	112.8	Q300 H304 L307 L356 L358 R364	Q300-Y360 WeakPolarHBondContact O-CE1 3.49Å; Q300-Y360 PolarHBondContact O-OH 3.07Å; H304-Y360 HydrophobicContact CB-CD1 4Å; H304-Y360 HydrophobicContact CB-CD2 4.07Å; H304-Y360 HydrophobicContact CB-CE1 3.92Å; H304-Y360 HydrophobicContact CB-CE2 3.95Å; H304-Y360 HydrophobicContact CB-CG 4.09Å; H304-Y360 AromaticContact CD2-CD2 3.29Å; H304-Y360 WeakPolarHBondContact CD2-CD2 3.28Å; H304-Y360 AromaticContact CD2-CE2 3.91Å; H304-Y360 AromaticContact CD2-CG 3.5Å; H304-Y360 AromaticContact CG-CD2 3.87Å; H304-Y360 AromaticContact CG-CG 3.78Å; L307-Y360 HydrophobicContact CD1-CD1 3.7Å; L307-Y360 HydrophobicContact CD1-CE1 3.96Å; L356-Y360 WeakPolarHBondContact O-CB 3.46Å; L356-Y360 PolarHBondContact O-N 2.84Å; L358-Y360 VanDerWaalsContact C-N 3.32Å; L358-Y360 PolarHBondContact O-N 2.91Å; Y360-R364 WeakPolarHBondContact O-CD 3.5Å; Y360-R364 PolarHBondContact O-NH1 3.18Å; Y360-R364 PolarHBondContact OH-NE 2.97Å
361	L	96.1	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-71.5	-43.7	175.2	-67.9	173.5	0	0	0	111.6	V297 L307 A357 L358 N359 E363 R364 G365 I366 Y368	V297-L361 HydrophobicContact CG1-CD2 4.33Å; L307-L361 HydrophobicContact CD1-CD2 3.91Å; L307-L361 HydrophobicContact CD1-CG 4.14Å; L307-L361 HydrophobicContact CD2-CD1 4.26Å; A357-L361 WeakPolarHBondContact O-CG 3.27Å; A357-L361 PolarHBondContact O-N 2.6Å; L358-L361 WeakPolarHBondContact O-CB 3.5Å; L358-L361 PolarHBondContact O-N 2.93Å; L358-L361 VanDerWaalsContact O-N 3.14Å; N359-L361 VanDerWaalsContact C-N 3.28Å; N359-L361 PolarHBondContact O-N 3.29Å; L361-E363 PolarHBondContact O-N 3.4Å; L361-R364 CarbonylContact O-C 3.57Å; L361-R364 WeakPolarHBondContact O-CA 3.39Å; L361-R364 WeakPolarHBondContact O-CB 3.29Å; L361-R364 PolarHBondContact O-N 2.92Å; L361-G365 PolarHBondContact O-N 3.41Å; L361-I366 CarbonylContact C-O 3.58Å; L361-I366 HydrophobicContact CB-CB 4.13Å; L361-I366 HydrophobicContact CB-CG2 4.39Å; L361-I366 HydrophobicContact CD2-CB 4.37Å; L361-I366 HydrophobicContact CD2-CD1 4.07Å; L361-I366 HydrophobicContact CD2-CG2 4.23Å; L361-I366 WeakPolarHBondContact O-CB 3.16Å; L361-I366 PolarHBondContact O-N 3.41Å; L361-Y368 HydrophobicContact CD1-CD2 4.36Å; L361-Y368 HydrophobicContact CD1-CG 4.46Å
362	H	95.5	Very high	96.8	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.083	8%	0.083	C	C	.	.	H	α-helix	trans	-62.6	-41.1	-179.6	-64.3	177.8	0	0	0	111.8	L358 N359 R364 G365 I366 F424 D427 W428	L358-H362 PolarHBondContact O-CD2 2.75Å; L358-H362 PolarHBondContact O-N 3.45Å; N359-H362 PolarHBondContact O-N 2.74Å; N359-H362 VanDerWaalsContact O-N 3.17Å; H362-R364 PolarHBondContact O-N 3.45Å; H362-G365 PolarHBondContact O-N 3.16Å; H362-I366 PolarHBondContact CD2-O 3.46Å; H362-F424 HydrophobicContact CB-CD1 3.88Å; H362-F424 HydrophobicContact CB-CD2 4.5Å; H362-F424 HydrophobicContact CB-CE1 4.22Å; H362-F424 HydrophobicContact CB-CG 4.05Å; H362-F424 AromaticContact CD2-CD1 3.47Å; H362-F424 VanDerWaalsContact CD2-CD1 3.47Å; H362-F424 WeakPolarHBondContact CD2-CD1 3.16Å; H362-F424 AromaticContact CG-CD1 3.63Å; H362-F424 AromaticContact CG-CG 3.8Å; H362-D427 IonicContact CD2-OD2 2.67Å; H362-D427 IonicContact CE1-OD2 2.64Å; H362-D427 IonicContact NE2-OD2 3.2Å; H362-D427 PolarHBondContact NE2-OD2 2.81Å; H362-W428 AromaticContact CE1-CE2 3.62Å; H362-W428 AromaticContact CE1-CZ2 3.74Å; H362-W428 AromaticContact CE1-NE1 3.56Å; H362-W428 AromaticContact ND1-CE2 3.68Å; H362-W428 AromaticContact ND1-CZ2 3.54Å; H362-W428 AromaticContact ND1-NE1 3.55Å
363	E	94.1	Very high	96.6	Very high	136 Å²	136	19 Å²	19	64%	0.636	9%	0.085	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.1	173.8	-75.4	178.2	178.8	0	0	113.6	N359 L361	N359-E363 VanDerWaalsContact ND2-CD 3.32Å; N359-E363 PolarHBondContact ND2-OE1 3.36Å; N359-E363 WeakPolarHBondContact O-CB 3.29Å; N359-E363 WeakPolarHBondContact O-CG 3.01Å; N359-E363 PolarHBondContact O-N 2.88Å; L361-E363 PolarHBondContact O-N 3.4Å
364	R	94.3	Very high	96.4	Very high	98 Å²	98	22.2 Å²	22.2	37%	0.37	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	3.5	176	-77.7	160.2	-174.3	67.8	6.2	113.7	Q300 Y360 L361 H362 I366	Q300-R364 VanDerWaalsContact OE1-CB 3.29Å; Y360-R364 WeakPolarHBondContact O-CD 3.5Å; Y360-R364 PolarHBondContact O-NH1 3.18Å; Y360-R364 PolarHBondContact OH-NE 2.97Å; L361-R364 CarbonylContact O-C 3.57Å; L361-R364 WeakPolarHBondContact O-CA 3.39Å; L361-R364 WeakPolarHBondContact O-CB 3.29Å; L361-R364 PolarHBondContact O-N 2.92Å; H362-R364 PolarHBondContact O-N 3.45Å; R364-I366 HydrophobicContact CB-CD1 4.06Å; R364-I366 HydrophobicContact CB-CG1 4.4Å
365	G	94.7	Very high	96.2	Very high	5 Å²	5	22.7 Å²	22.7	5%	0.052	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	26.3	-179.1	0	0	0	0	0	113.7	L361 H362 E394 G395 L396	L361-G365 PolarHBondContact O-N 3.41Å; H362-G365 PolarHBondContact O-N 3.16Å; G365-E394 CarbonylContact O-C 3.57Å; G365-E394 WeakPolarHBondContact O-CA 3.23Å; G365-G395 PolarHBondContact O-N 3.49Å; G365-L396 WeakPolarHBondContact CA-O 3.14Å; G365-L396 VanDerWaalsContact O-CD1 3.24Å; G365-L396 WeakPolarHBondContact O-CD1 3.45Å; G365-L396 PolarHBondContact O-N 3.14Å; G365-L396 VanDerWaalsContact O-N 3.07Å
366	I	95.6	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.			trans	-111.7	124.2	-179.3	-57.5	163.2	0	0	0	109.6	V297 Q300 L361 H362 R364 C392 K393 E394	V297-I366 HydrophobicContact CG1-CD1 4.4Å; V297-I366 HydrophobicContact CG1-CG2 4.33Å; V297-I366 HydrophobicContact CG2-CD1 4.1Å; V297-I366 HydrophobicContact CG2-CG1 4.39Å; V297-I366 HydrophobicContact CG2-CG2 3.99Å; Q300-I366 HydrophobicContact CB-CD1 4.47Å; L361-I366 CarbonylContact C-O 3.58Å; L361-I366 HydrophobicContact CB-CB 4.13Å; L361-I366 HydrophobicContact CB-CG2 4.39Å; L361-I366 HydrophobicContact CD2-CB 4.37Å; L361-I366 HydrophobicContact CD2-CD1 4.07Å; L361-I366 HydrophobicContact CD2-CG2 4.23Å; L361-I366 WeakPolarHBondContact O-CB 3.16Å; L361-I366 PolarHBondContact O-N 3.41Å; H362-I366 PolarHBondContact CD2-O 3.46Å; R364-I366 HydrophobicContact CB-CD1 4.06Å; R364-I366 HydrophobicContact CB-CG1 4.4Å; I366-C392 HydrophobicContact CG2-CB 3.99Å; I366-K393 CarbonylContact C-O 3.52Å; I366-K393 VanDerWaalsContact CA-O 3.28Å; I366-K393 WeakPolarHBondContact CA-O 3.34Å; I366-E394 HydrophobicContact CG1-CB 3.96Å
367	I	96.8	Very high	96.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-95.2	133.6	165.6	-47	164.7	0	0	0	107.6	R369 C392 K393 L396 T402 Y422 F424 V426 D427	I367-R369 HydrophobicContact CB-CG 3.94Å; I367-R369 HydrophobicContact CG2-CG 3.45Å; I367-R369 VanDerWaalsContact CG2-CG 3.45Å; I367-C392 CarbonylContact O-C 3.49Å; I367-C392 WeakPolarHBondContact O-CA 2.96Å; I367-K393 PolarHBondContact N-O 2.57Å; I367-K393 PolarHBondContact O-N 3.45Å; I367-L396 HydrophobicContact CD1-CD1 3.93Å; I367-L396 HydrophobicContact CD1-CD2 3.72Å; I367-L396 HydrophobicContact CG1-CD1 3.9Å; I367-L396 HydrophobicContact CG1-CD2 4.32Å; I367-T402 HydrophobicContact CD1-CG2 3.96Å; I367-Y422 HydrophobicContact CD1-CD2 4.41Å; I367-Y422 HydrophobicContact CD1-CE2 4.33Å; I367-F424 HydrophobicContact CB-CD1 4.45Å; I367-F424 HydrophobicContact CG1-CD1 3.63Å; I367-F424 HydrophobicContact CG1-CE1 3.85Å; I367-V426 HydrophobicContact CG2-CG2 3.61Å; I367-D427 WeakPolarHBondContact CG2-OD2 3.37Å
368	Y	96.7	Very high	96.1	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	11%	0.11	C	C	.	.			trans	-83	-39.6	-174.5	178.5	-123.7	0	0	0	113.6	L358 L361 D370 L371 N375 L386 T387 Y389 M391 D427	L358-Y368 HydrophobicContact CD2-CD1 4.07Å; L358-Y368 HydrophobicContact CD2-CG 4.37Å; L361-Y368 HydrophobicContact CD1-CD2 4.36Å; L361-Y368 HydrophobicContact CD1-CG 4.46Å; Y368-D370 PolarHBondContact O-N 3.05Å; Y368-L371 HydrophobicContact CD1-CB 3.89Å; Y368-L371 HydrophobicContact CE1-CB 3.85Å; Y368-L371 HydrophobicContact CE1-CD1 4.11Å; Y368-N375 WeakPolarHBondContact OH-CB 3.46Å; Y368-L386 HydrophobicContact CD1-CD1 4.45Å; Y368-L386 HydrophobicContact CE1-CD1 4.24Å; Y368-T387 WeakPolarHBondContact CE2-O 3.38Å; Y368-T387 PolarHBondContact OH-O 3.37Å; Y368-Y389 HydrophobicContact CD2-CD1 4.1Å; Y368-Y389 HydrophobicContact CD2-CE1 4.49Å; Y368-Y389 AromaticContact CE2-CD1 3.79Å; Y368-Y389 HydrophobicContact CE2-CD1 3.79Å; Y368-Y389 HydrophobicContact CE2-CE1 4.04Å; Y368-M391 CarbonylContact O-C 3.55Å; Y368-D427 PolarHBondContact N-OD1 2.94Å; Y368-D427 PolarHBondContact N-OD2 3.17Å
369	R	95.8	Very high	96	Very high	31 Å²	31	24.8 Å²	24.8	12%	0.117	12%	0.116	C	C	.	.			trans	62.7	-7.7	170.1	-52.4	-169.3	-63.1	180	-0.3	118.8	I367 M391 C392 C406 G407 Y422 V426 D427	I367-R369 HydrophobicContact CB-CG 3.94Å; I367-R369 HydrophobicContact CG2-CG 3.45Å; I367-R369 VanDerWaalsContact CG2-CG 3.45Å; R369-M391 PolarHBondContact NE-O 3.18Å; R369-M391 PolarHBondContact NH2-O 3.33Å; R369-C392 PolarHBondContact NH2-O 3.42Å; R369-C406 VanDerWaalsContact CZ-SG 3.55Å; R369-C406 PolarHBondContact NH1-SG 3.37Å; R369-G407 WeakPolarHBondContact O-CA 3.38Å; R369-Y422 WeakPolarHBondContact CD-OH 3.25Å; R369-Y422 PolarHBondContact NH1-OH 3.36Å; R369-V426 HydrophobicContact CG-CG2 4.34Å; R369-D427 WeakPolarHBondContact CA-OD1 3.45Å; R369-D427 PolarHBondContact N-OD1 3.17Å
370	D	94.9	Very high	95.9	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.043	13%	0.125	C	C	.	.			trans	-134.3	45.2	175.8	-160.4	45.5	0	0	0	113.7	Y368 K372 N375 M391 T408	Y368-D370 PolarHBondContact O-N 3.05Å; D370-K372 PolarHBondContact O-N 3.36Å; D370-K372 IonicContact OD1-NZ 2.68Å; D370-K372 IonicContact OD2-NZ 3.76Å; D370-K372 PolarHBondContact OD2-NZ 2.76Å; D370-N375 PolarHBondContact O-ND2 3.37Å; D370-N375 PolarHBondContact OD2-ND2 3.07Å; D370-M391 HydrophobicContact CB-CB 3.6Å; D370-M391 HydrophobicContact CB-CG 3.77Å; D370-T408 WeakPolarHBondContact OD1-CB 3.43Å; D370-T408 PolarHBondContact OD1-N 3.04Å; D370-T408 VanDerWaalsContact OD1-N 3.09Å; D370-T408 PolarHBondContact OD1-OG1 2.86Å
371	L	98	Very high	95.9	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.14	C	C	.	.			trans	-70.4	117	168.7	-176.9	65.5	0	0	0	110.8	I354 L358 Y368 V376 L386 Y411 A430 L431 L434	I354-L371 HydrophobicContact CG2-CD1 4Å; I354-L371 HydrophobicContact CG2-CD2 3.86Å; L358-L371 HydrophobicContact CD1-CD2 4.16Å; Y368-L371 HydrophobicContact CD1-CB 3.89Å; Y368-L371 HydrophobicContact CE1-CB 3.85Å; Y368-L371 HydrophobicContact CE1-CD1 4.11Å; L371-V376 HydrophobicContact CD1-CG2 3.74Å; L371-L386 HydrophobicContact CD1-CD2 3.86Å; L371-Y411 VanDerWaalsContact O-CD1 3.28Å; L371-Y411 WeakPolarHBondContact O-CD1 3.26Å; L371-Y411 VanDerWaalsContact O-CG 3.29Å; L371-A430 HydrophobicContact CB-CB 3.92Å; L371-A430 HydrophobicContact CD2-CB 4.35Å; L371-A430 HydrophobicContact CG-CB 4.49Å; L371-L431 HydrophobicContact CD2-CB 3.94Å; L371-L431 HydrophobicContact CD2-CD1 4.39Å; L371-L434 HydrophobicContact CD1-CD1 3.83Å; L371-L434 HydrophobicContact CD2-CD1 4.35Å; L371-L434 HydrophobicContact CG-CD1 3.81Å
372	K	95.7	Very high	95.9	Very high	29 Å²	29	28.9 Å²	28.9	13%	0.126	14%	0.14	C	C	.	.			trans	-151.2	163.6	176.5	64.4	-172.4	-173.8	-121.3	0	109.8	D370 D374 N375 T408 Y411	D370-K372 PolarHBondContact O-N 3.36Å; D370-K372 IonicContact OD1-NZ 2.68Å; D370-K372 IonicContact OD2-NZ 3.76Å; D370-K372 PolarHBondContact OD2-NZ 2.76Å; K372-D374 HydrophobicContact CD-CB 4.42Å; K372-D374 HydrophobicContact CG-CB 4.27Å; K372-D374 PolarHBondContact O-N 3.05Å; K372-N375 VanDerWaalsContact CE-CG 3.48Å; K372-N375 WeakPolarHBondContact CE-OD1 3.31Å; K372-N375 HydrophobicContact CG-CB 3.93Å; K372-N375 PolarHBondContact NZ-ND2 3.35Å; K372-N375 PolarHBondContact NZ-OD1 3.18Å; K372-N375 PolarHBondContact O-N 3.39Å; K372-N375 VanDerWaalsContact O-N 3.07Å; K372-T408 HydrophobicContact CD-CG2 4.17Å; K372-T408 WeakPolarHBondContact CD-OG1 3.49Å; K372-Y411 HydrophobicContact CB-CD2 3.71Å; K372-Y411 HydrophobicContact CB-CE1 4.36Å; K372-Y411 HydrophobicContact CB-CE2 3.32Å; K372-Y411 HydrophobicContact CB-CG 4.35Å
373	L	95.1	Very high	96.1	Very high	7 Å²	7	28.7 Å²	28.7	4%	0.037	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-55	-37.7	-178.5	-71.5	169.2	0	0	0	113.5	L332 M333 M336 N375 V376 Y411 L434 E437 M438	L332-L373 HydrophobicContact CB-CD2 3.88Å; L332-L373 PolarHBondContact N-O 3.37Å; M333-L373 HydrophobicContact CB-CB 3.84Å; M333-L373 HydrophobicContact CE-CB 4.09Å; M333-L373 HydrophobicContact CE-CD1 4.22Å; M333-L373 PolarHBondContact N-O 2.68Å; M333-L373 HydrophobicContact SD-CD1 4.32Å; M336-L373 HydrophobicContact CG-CD1 4.22Å; M336-L373 HydrophobicContact CG-CD2 4.02Å; L373-N375 VanDerWaalsContact C-N 3.3Å; L373-N375 PolarHBondContact O-N 2.97Å; L373-V376 PolarHBondContact O-N 3.27Å; L373-Y411 PolarHBondContact N-OH 3.19Å; L373-L434 HydrophobicContact CD2-CD2 3.96Å; L373-L434 HydrophobicContact CD2-CG 3.89Å; L373-L434 HydrophobicContact CG-CG 4.32Å; L373-E437 HydrophobicContact CD1-CB 4.24Å; L373-M438 HydrophobicContact CD2-CG 4.43Å
374	D	93.4	Very high	96.3	Very high	67 Å²	67	22.2 Å²	22.2	36%	0.358	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-68.4	-26.7	-179.4	-39.3	-103.8	0	0	0	113.1	M333 K372	M333-D374 HydrophobicContact CB-CB 4.49Å; M333-D374 WeakPolarHBondContact CG-OD1 3.16Å; K372-D374 HydrophobicContact CD-CB 4.42Å; K372-D374 HydrophobicContact CG-CB 4.27Å; K372-D374 PolarHBondContact O-N 3.05Å
375	N	96	Very high	96.4	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.053	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-93.2	1.7	-177.9	-75.4	1.7	0	0	0	113.1	Y368 D370 K372 L373 T387	Y368-N375 WeakPolarHBondContact OH-CB 3.46Å; D370-N375 PolarHBondContact O-ND2 3.37Å; D370-N375 PolarHBondContact OD2-ND2 3.07Å; K372-N375 VanDerWaalsContact CE-CG 3.48Å; K372-N375 WeakPolarHBondContact CE-OD1 3.31Å; K372-N375 HydrophobicContact CG-CB 3.93Å; K372-N375 PolarHBondContact NZ-ND2 3.35Å; K372-N375 PolarHBondContact NZ-OD1 3.18Å; K372-N375 PolarHBondContact O-N 3.39Å; K372-N375 VanDerWaalsContact O-N 3.07Å; L373-N375 VanDerWaalsContact C-N 3.3Å; L373-N375 PolarHBondContact O-N 2.97Å; N375-T387 PolarHBondContact O-N 2.75Å; N375-T387 VanDerWaalsContact O-N 3.12Å
376	V	98.1	Very high	96.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	96	173.1	-171.2	0	0	0	0	108.7	D331 L332 I354 L371 L373 I384 L386 L434	D331-V376 CarbonylContact C-O 3.59Å; D331-V376 WeakPolarHBondContact CA-O 3.34Å; L332-V376 HydrophobicContact CB-CB 4.27Å; L332-V376 HydrophobicContact CD1-CB 3.78Å; L332-V376 HydrophobicContact CD1-CG1 3.54Å; L332-V376 HydrophobicContact CD1-CG2 4.35Å; L332-V376 HydrophobicContact CG-CB 3.95Å; L332-V376 HydrophobicContact CG-CG1 3.84Å; L332-V376 PolarHBondContact N-O 3.09Å; I354-V376 HydrophobicContact CD1-CG1 4.1Å; I354-V376 HydrophobicContact CD1-CG2 4.09Å; I354-V376 HydrophobicContact CG1-CG1 4.21Å; I354-V376 HydrophobicContact CG1-CG2 4.5Å; L371-V376 HydrophobicContact CD1-CG2 3.74Å; L373-V376 PolarHBondContact O-N 3.27Å; V376-I384 HydrophobicContact CG1-CB 3.64Å; V376-I384 HydrophobicContact CG1-CD1 4.41Å; V376-I384 HydrophobicContact CG1-CG1 4.43Å; V376-I384 HydrophobicContact CG1-CG2 3.69Å; V376-L386 HydrophobicContact CB-CD2 4.44Å; V376-L386 HydrophobicContact CG1-CD2 4.34Å; V376-L386 HydrophobicContact CG2-CD2 3.77Å; V376-L434 HydrophobicContact CG2-CD1 3.86Å
377	L	97.6	Very high	96.5	Very high	34 Å²	34	19 Å²	19	18%	0.178	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	157.9	177.5	-51.1	-174.3	0	0	0	110.7	V308 V327 G330 D331 I384 K385 T387	V308-L377 HydrophobicContact CG2-CD1 4.23Å; V327-L377 HydrophobicContact CB-CB 4.24Å; V327-L377 HydrophobicContact CB-CD1 3.93Å; V327-L377 HydrophobicContact CG1-CB 3.64Å; V327-L377 HydrophobicContact CG1-CD1 4.27Å; V327-L377 HydrophobicContact CG2-CD1 4.37Å; G330-L377 CarbonylContact O-C 3.59Å; G330-L377 WeakPolarHBondContact O-CA 3.49Å; D331-L377 HydrophobicContact CB-CD2 3.93Å; L377-I384 CarbonylContact O-C 3.47Å; L377-I384 WeakPolarHBondContact O-CA 3.28Å; L377-K385 WeakPolarHBondContact CB-O 3.49Å; L377-K385 PolarHBondContact N-O 3.28Å; L377-K385 PolarHBondContact O-N 3.38Å; L377-T387 HydrophobicContact CD1-CG2 3.91Å; L377-T387 HydrophobicContact CD2-CG2 4.05Å; L377-T387 HydrophobicContact CG-CG2 3.8Å
378	L	97.4	Very high	96.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131	170.6	-65.5	175.4	0	0	0	110.1	V327 G329 G330 L332 H335 Y350 H383 I384 F531 P533	V327-L378 VanDerWaalsContact CG1-C 3.49Å; V327-L378 WeakPolarHBondContact CG1-O 3.27Å; G329-L378 WeakPolarHBondContact CA-O 3.31Å; G329-L378 PolarHBondContact N-O 2.76Å; G330-L378 PolarHBondContact O-N 3.3Å; L332-L378 HydrophobicContact CD2-CD1 4.23Å; L332-L378 HydrophobicContact CD2-CD2 4.06Å; L332-L378 HydrophobicContact CD2-CG 4.29Å; H335-L378 HydrophobicContact CB-CD1 4.41Å; Y350-L378 HydrophobicContact CD1-CD2 4.42Å; Y350-L378 HydrophobicContact CE1-CD2 3.82Å; L378-H383 WeakPolarHBondContact CA-O 3.32Å; L378-I384 HydrophobicContact CD2-CG2 4.02Å; L378-F531 HydrophobicContact CD1-CD1 4.2Å; L378-F531 HydrophobicContact CD1-CE1 4.13Å; L378-P533 HydrophobicContact CB-CG 4.06Å; L378-P533 HydrophobicContact CD1-CG 4.34Å
379	D	95.9	Very high	95.8	Very high	21 Å²	21	21.1 Å²	21.1	11%	0.112	11%	0.11	C	C	.	.			trans	-75.4	174.7	170.2	73.3	21	0	0	0	112.6	V327 E381 G382 H383 K525 P533	V327-D379 HydrophobicContact CG1-CB 4.36Å; D379-E381 PolarHBondContact O-N 2.73Å; D379-E381 VanDerWaalsContact O-N 3.16Å; D379-E381 PolarHBondContact OD1-N 3.03Å; D379-G382 PolarHBondContact O-N 3.47Å; D379-G382 VanDerWaalsContact O-N 3.09Å; D379-G382 PolarHBondContact OD1-N 2.73Å; D379-H383 PolarHBondContact N-O 2.81Å; D379-H383 IonicContact OD1-CD2 3.1Å; D379-H383 PolarHBondContact OD1-N 2.9Å; D379-H383 IonicContact OD2-CD2 2.83Å; D379-K525 IonicContact OD2-NZ 2.94Å; D379-K525 PolarHBondContact OD2-NZ 3.48Å; D379-P533 WeakPolarHBondContact O-CG 3.34Å
380	S	95.1	Very high	95.2	Very high	49 Å²	49	19.8 Å²	19.8	34%	0.343	11%	0.106	S	C	.	.	S	Bend	trans	-64.7	-16.8	-176.4	52.4	0	0	0	0	114.4	K532	S380-K532 VanDerWaalsContact O-CE 3.23Å; S380-K532 WeakPolarHBondContact O-CE 3.5Å
381	E	96.4	Very high	94.8	Very high	91 Å²	91	22.5 Å²	22.5	43%	0.425	12%	0.119	S	C	.	.	S	Bend	trans	-94.4	-24.4	174.5	-63.4	-55.6	123.1	0	0	112.2	D379 K532	D379-E381 PolarHBondContact O-N 2.73Å; D379-E381 VanDerWaalsContact O-N 3.16Å; D379-E381 PolarHBondContact OD1-N 3.03Å; E381-K532 WeakPolarHBondContact OE1-CE 3.49Å; E381-K532 IonicContact OE1-NZ 3.82Å; E381-K532 PolarHBondContact OE1-NZ 3.28Å; E381-K532 IonicContact OE2-NZ 3.37Å; E381-K532 PolarHBondContact OE2-NZ 2.88Å
382	G	97.2	Very high	94.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	112.6	11.8	174.7	0	0	0	0	0	114.9	D379 F531	D379-G382 PolarHBondContact O-N 3.47Å; D379-G382 VanDerWaalsContact O-N 3.09Å; D379-G382 PolarHBondContact OD1-N 2.73Å; G382-F531 WeakPolarHBondContact CA-O 3.38Å
383	H	98.5	Very high	94.1	Very high	13 Å²	13	25 Å²	25	6%	0.06	13%	0.13	C	C	.	.			trans	-79.4	152.5	171	-61.6	-86.2	0	0	0	110.8	F306 F349 E353 L378 D379 K525 V527 P529	F306-H383 HydrophobicContact CD1-CB 4.48Å; F306-H383 HydrophobicContact CE1-CB 4.1Å; F349-H383 AromaticContact CZ-ND1 3.77Å; E353-H383 IonicContact OE1-CE1 2.7Å; E353-H383 IonicContact OE1-CG 2.8Å; E353-H383 IonicContact OE1-ND1 3.85Å; E353-H383 PolarHBondContact OE1-ND1 3.05Å; L378-H383 WeakPolarHBondContact CA-O 3.32Å; D379-H383 PolarHBondContact N-O 2.81Å; D379-H383 IonicContact OD1-CD2 3.1Å; D379-H383 PolarHBondContact OD1-N 2.9Å; D379-H383 IonicContact OD2-CD2 2.83Å; H383-K525 HydrophobicContact CB-CD 4.25Å; H383-V527 PolarHBondContact CE1-O 3.35Å; H383-P529 WeakPolarHBondContact NE2-CG 3.39Å
384	I	98.4	Very high	93.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	152.6	178.9	72	96.8	0	0	0	113.1	F306 Y350 E353 I354 V376 L377 L378 L386	F306-I384 WeakPolarHBondContact CA-O 3.36Å; F306-I384 HydrophobicContact CB-CD1 3.85Å; F306-I384 HydrophobicContact CB-CG1 4.43Å; F306-I384 HydrophobicContact CD1-CG1 4.46Å; F306-I384 WeakPolarHBondContact CD1-O 3.24Å; F306-I384 HydrophobicContact CG-CD1 4.49Å; Y350-I384 HydrophobicContact CD1-CG2 3.56Å; Y350-I384 HydrophobicContact CE1-CG2 4.31Å; Y350-I384 HydrophobicContact CG-CG2 4.18Å; E353-I384 HydrophobicContact CB-CD1 4.23Å; E353-I384 HydrophobicContact CB-CG1 3.43Å; E353-I384 VanDerWaalsContact CB-CG1 3.43Å; E353-I384 HydrophobicContact CG-CG1 4.48Å; E353-I384 WeakPolarHBondContact OE2-CG1 3.3Å; E353-I384 PolarHBondContact OE2-N 3.05Å; I354-I384 HydrophobicContact CG1-CD1 3.8Å; I354-I384 HydrophobicContact CG1-CG1 4.07Å; V376-I384 HydrophobicContact CG1-CB 3.64Å; V376-I384 HydrophobicContact CG1-CD1 4.41Å; V376-I384 HydrophobicContact CG1-CG1 4.43Å; V376-I384 HydrophobicContact CG1-CG2 3.69Å; L377-I384 CarbonylContact O-C 3.47Å; L377-I384 WeakPolarHBondContact O-CA 3.28Å; L378-I384 HydrophobicContact CD2-CG2 4.02Å; I384-L386 HydrophobicContact CD1-CD2 4.11Å; I384-L386 HydrophobicContact CD1-CG 4.2Å
385	K	98.1	Very high	93.6	Very high	13 Å²	13	26.7 Å²	26.7	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	123.1	161.2	-78.7	177.1	169.8	-95.9	0	110.6	P305 F306 L307 V308 E325 V327 L377	P305-K385 WeakPolarHBondContact O-CE 3.3Å; P305-K385 PolarHBondContact O-NZ 3.14Å; F306-K385 WeakPolarHBondContact O-CA 3.47Å; L307-K385 PolarHBondContact O-NZ 2.97Å; V308-K385 HydrophobicContact CG2-CB 3.92Å; E325-K385 WeakPolarHBondContact OE1-CD 3.38Å; E325-K385 WeakPolarHBondContact OE1-CE 3.47Å; E325-K385 IonicContact OE1-NZ 3.63Å; E325-K385 PolarHBondContact OE1-NZ 3.49Å; E325-K385 IonicContact OE2-NZ 3.24Å; E325-K385 PolarHBondContact OE2-NZ 2.87Å; V327-K385 HydrophobicContact CG2-CB 4.49Å; V327-K385 HydrophobicContact CG2-CD 3.7Å; L377-K385 WeakPolarHBondContact CB-O 3.49Å; L377-K385 PolarHBondContact N-O 3.28Å; L377-K385 PolarHBondContact O-N 3.38Å
386	L	97.7	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.7	171.4	-55.1	-175.4	0	0	0	110	F306 L307 V308 I354 A357 L358 Y368 L371 V376 I384 Y389	F306-L386 PolarHBondContact O-N 3.01Å; L307-L386 HydrophobicContact CD2-CB 3.86Å; L307-L386 HydrophobicContact CD2-CD1 4.18Å; L307-L386 HydrophobicContact CD2-CG 4.27Å; V308-L386 WeakPolarHBondContact CG2-O 3.29Å; V308-L386 PolarHBondContact N-O 2.85Å; I354-L386 HydrophobicContact CG1-CD2 4.27Å; I354-L386 HydrophobicContact CG2-CD2 4.36Å; A357-L386 HydrophobicContact CB-CD1 3.66Å; A357-L386 HydrophobicContact CB-CG 4.02Å; L358-L386 HydrophobicContact CD2-CD1 4.23Å; Y368-L386 HydrophobicContact CD1-CD1 4.45Å; Y368-L386 HydrophobicContact CE1-CD1 4.24Å; L371-L386 HydrophobicContact CD1-CD2 3.86Å; V376-L386 HydrophobicContact CB-CD2 4.44Å; V376-L386 HydrophobicContact CG1-CD2 4.34Å; V376-L386 HydrophobicContact CG2-CD2 3.77Å; I384-L386 HydrophobicContact CD1-CD2 4.11Å; I384-L386 HydrophobicContact CD1-CG 4.2Å; L386-Y389 PolarHBondContact O-OH 2.74Å
387	T	93.8	Very high	92.9	Very high	23 Å²	23	36 Å²	36	14%	0.141	19%	0.189	C	C	.	.			trans	-123.8	-175	-179.4	-165.3	0	0	0	0	112.3	Y368 N375 L377	Y368-T387 WeakPolarHBondContact CE2-O 3.38Å; Y368-T387 PolarHBondContact OH-O 3.37Å; N375-T387 PolarHBondContact O-N 2.75Å; N375-T387 VanDerWaalsContact O-N 3.12Å; L377-T387 HydrophobicContact CD1-CG2 3.91Å; L377-T387 HydrophobicContact CD2-CG2 4.05Å; L377-T387 HydrophobicContact CG-CG2 3.8Å
388	D	88.6	Confident	92.3	Very high	46 Å²	46	40.8 Å²	40.8	25%	0.246	22%	0.222	C	C	.	.			trans	53	72.3	173.3	-157.9	28	0	0	0	114.9	K275 G390	K275-D388 IonicContact NZ-OD1 3.81Å; K275-D388 PolarHBondContact NZ-OD1 2.95Å; D388-G390 VanDerWaalsContact C-N 3.27Å; D388-G390 PolarHBondContact O-N 2.83Å
389	Y	89.7	Confident	91.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-78.4	-1.7	-175.7	-57.1	-49.8	0	0	0	115.1	E294 V297 F298 A301 L307 V308 Y368 L386 M391 C392	E294-Y389 PolarHBondContact OE1-N 3.49Å; V297-Y389 HydrophobicContact CB-CG 4.41Å; V297-Y389 HydrophobicContact CG1-CD1 3.94Å; V297-Y389 HydrophobicContact CG1-CD2 4.07Å; V297-Y389 HydrophobicContact CG1-CG 3.63Å; F298-Y389 HydrophobicContact CB-CD2 4.44Å; F298-Y389 AromaticContact CD1-CD2 3.5Å; F298-Y389 HydrophobicContact CD1-CD2 3.5Å; F298-Y389 VanDerWaalsContact CD1-CD2 3.5Å; F298-Y389 AromaticContact CD1-CE2 3.48Å; F298-Y389 HydrophobicContact CD1-CE2 3.48Å; F298-Y389 VanDerWaalsContact CD1-CE2 3.48Å; F298-Y389 AromaticContact CD2-CD2 3.95Å; F298-Y389 HydrophobicContact CD2-CD2 3.95Å; F298-Y389 AromaticContact CE1-CD2 3.51Å; F298-Y389 HydrophobicContact CE1-CD2 3.51Å; F298-Y389 AromaticContact CE1-CE2 3.44Å; F298-Y389 HydrophobicContact CE1-CE2 3.44Å; F298-Y389 VanDerWaalsContact CE1-CE2 3.44Å; F298-Y389 AromaticContact CE2-CD2 3.96Å; F298-Y389 HydrophobicContact CE2-CD2 3.96Å; F298-Y389 AromaticContact CG-CD2 3.7Å; F298-Y389 HydrophobicContact CG-CD2 3.7Å; F298-Y389 HydrophobicContact CG-CE2 4.14Å; F298-Y389 AromaticContact CZ-CD2 3.74Å; F298-Y389 HydrophobicContact CZ-CD2 3.74Å; F298-Y389 HydrophobicContact CZ-CE2 4.09Å; A301-Y389 HydrophobicContact CB-CE2 3.83Å; L307-Y389 WeakPolarHBondContact CB-OH 3.48Å; L307-Y389 HydrophobicContact CD2-CE1 4.32Å; V308-Y389 PolarHBondContact N-OH 3.42Å; Y368-Y389 HydrophobicContact CD2-CD1 4.1Å; Y368-Y389 HydrophobicContact CD2-CE1 4.49Å; Y368-Y389 AromaticContact CE2-CD1 3.79Å; Y368-Y389 HydrophobicContact CE2-CD1 3.79Å; Y368-Y389 HydrophobicContact CE2-CE1 4.04Å; L386-Y389 PolarHBondContact O-OH 2.74Å; Y389-M391 PolarHBondContact O-N 2.59Å; Y389-M391 VanDerWaalsContact O-N 3.09Å; Y389-C392 WeakPolarHBondContact O-CB 3.47Å; Y389-C392 PolarHBondContact O-N 3.45Å; Y389-C392 PolarHBondContact O-SG 3.1Å
390	G	84	Confident	91.4	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.031	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-50.6	-37.5	179.8	0	0	0	0	0	114.1	W290 E294 D388 C392	W290-G390 PolarHBondContact NE1-O 2.82Å; E294-G390 PolarHBondContact OE1-N 2.72Å; E294-G390 VanDerWaalsContact OE1-N 3.15Å; D388-G390 VanDerWaalsContact C-N 3.27Å; D388-G390 PolarHBondContact O-N 2.83Å; G390-C392 PolarHBondContact O-N 3.06Å
391	M	85.4	Confident	91.3	Very high	64 Å²	64	48.3 Å²	48.3	32%	0.315	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-77.3	-1.6	179.6	-69.5	-67.5	168.7	0	0	114.5	Y368 R369 D370 Y389 C406	Y368-M391 CarbonylContact O-C 3.55Å; R369-M391 PolarHBondContact NE-O 3.18Å; R369-M391 PolarHBondContact NH2-O 3.33Å; D370-M391 HydrophobicContact CB-CB 3.6Å; D370-M391 HydrophobicContact CB-CG 3.77Å; Y389-M391 PolarHBondContact O-N 2.59Å; Y389-M391 VanDerWaalsContact O-N 3.09Å; M391-C406 HydrophobicContact SD-CB 4.27Å
392	C	91	Very high	90.9	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.027	26%	0.264	C	S	.	.			trans	-62.4	158.8	-176.3	-67.9	0	0	0	0	113.4	V297 I366 I367 R369 Y389 G390	V297-C392 HydrophobicContact CG2-CB 3.88Å; I366-C392 HydrophobicContact CG2-CB 3.99Å; I367-C392 CarbonylContact O-C 3.49Å; I367-C392 WeakPolarHBondContact O-CA 2.96Å; R369-C392 PolarHBondContact NH2-O 3.42Å; Y389-C392 WeakPolarHBondContact O-CB 3.47Å; Y389-C392 PolarHBondContact O-N 3.45Å; Y389-C392 PolarHBondContact O-SG 3.1Å; G390-C392 PolarHBondContact O-N 3.06Å
393	K	89.3	Confident	90.5	Very high	78 Å²	78	48 Å²	48	34%	0.339	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-127.1	120	161.7	-177.6	65.6	-168.7	163.7	0	109.1	I366 I367 L396 T402	I366-K393 CarbonylContact C-O 3.52Å; I366-K393 VanDerWaalsContact CA-O 3.28Å; I366-K393 WeakPolarHBondContact CA-O 3.34Å; I367-K393 PolarHBondContact N-O 2.57Å; I367-K393 PolarHBondContact O-N 3.45Å; K393-L396 HydrophobicContact CB-CD1 4.22Å; K393-L396 HydrophobicContact CG-CD1 3.77Å; K393-L396 WeakPolarHBondContact O-CD1 3.17Å; K393-T402 HydrophobicContact CG-CG2 4.2Å
394	E	90.1	Very high	89.7	Confident	45 Å²	45	50.8 Å²	50.8	21%	0.21	30%	0.304	C	S	.	.			trans	-103	177.4	178.1	67.5	-179.7	-145.7	0	0	113.3	T293 H296 V297 G365 I366 L396	T293-E394 HydrophobicContact CG2-CG 3.93Å; H296-E394 IonicContact CD2-OE1 3.56Å; H296-E394 IonicContact CD2-OE2 3.56Å; H296-E394 PolarHBondContact CD2-OE2 3.21Å; H296-E394 IonicContact CG-OE2 3.47Å; V297-E394 HydrophobicContact CG2-CB 4.5Å; G365-E394 CarbonylContact O-C 3.57Å; G365-E394 WeakPolarHBondContact O-CA 3.23Å; I366-E394 HydrophobicContact CG1-CB 3.96Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 2.97Å
395	G	87.8	Confident	89	Confident	66 Å²	66	55.7 Å²	55.7	68%	0.68	33%	0.325	S	S	*	.			trans	79	9.2	174.1	0	0	0	0	0	115	G365	G365-G395 PolarHBondContact O-N 3.49Å
396	L	89	Confident	88.3	Confident	16 Å²	16	56 Å²	56	8%	0.084	33%	0.329	C	S	.	.			trans	-78.5	130.9	178.1	-63.1	101.7	0	0	0	111.4	G365 I367 K393 E394 D400 F424	G365-L396 WeakPolarHBondContact CA-O 3.14Å; G365-L396 VanDerWaalsContact O-CD1 3.24Å; G365-L396 WeakPolarHBondContact O-CD1 3.45Å; G365-L396 PolarHBondContact O-N 3.14Å; G365-L396 VanDerWaalsContact O-N 3.07Å; I367-L396 HydrophobicContact CD1-CD1 3.93Å; I367-L396 HydrophobicContact CD1-CD2 3.72Å; I367-L396 HydrophobicContact CG1-CD1 3.9Å; I367-L396 HydrophobicContact CG1-CD2 4.32Å; K393-L396 HydrophobicContact CB-CD1 4.22Å; K393-L396 HydrophobicContact CG-CD1 3.77Å; K393-L396 WeakPolarHBondContact O-CD1 3.17Å; E394-L396 VanDerWaalsContact C-N 3.33Å; E394-L396 PolarHBondContact O-N 2.97Å; L396-D400 HydrophobicContact CB-CB 4.18Å; L396-D400 HydrophobicContact CD2-CB 4.32Å; L396-F424 HydrophobicContact CB-CZ 4.27Å
397	R	89.8	Confident	87.7	Confident	189 Å²	189	57 Å²	57	71%	0.713	34%	0.34	S	S	*	.			trans	-85.6	162.6	166.9	-54.7	175.8	179.9	-168.1	-1.4	109.9	G399 D400	R397-G399 PolarHBondContact O-N 2.75Å; R397-D400 WeakPolarHBondContact CA-OD2 3.24Å; R397-D400 WeakPolarHBondContact CB-OD2 3.38Å; R397-D400 WeakPolarHBondContact CG-OD2 3.45Å; R397-D400 PolarHBondContact N-OD2 3.14Å; R397-D400 WeakPolarHBondContact O-CB 3.42Å; R397-D400 PolarHBondContact O-N 3.25Å
398	P	85.1	Confident	87.3	Confident	134 Å²	134	57.9 Å²	57.9	87%	0.87	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	114.3	174.3	-27.4	36.2	0	0	0	112
399	G	83.1	Confident	87.3	Confident	74 Å²	74	57.4 Å²	57.4	76%	0.763	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-8.6	-177.1	0	0	0	0	0	115.6	R397	R397-G399 PolarHBondContact O-N 2.75Å
400	D	91.3	Very high	87.3	Confident	76 Å²	76	60.2 Å²	60.2	41%	0.406	36%	0.36	S	S	.	.			trans	-70.6	156.4	171.1	-69.5	-16.6	0	0	0	111.1	L396 R397	L396-D400 HydrophobicContact CB-CB 4.18Å; L396-D400 HydrophobicContact CD2-CB 4.32Å; R397-D400 WeakPolarHBondContact CA-OD2 3.24Å; R397-D400 WeakPolarHBondContact CB-OD2 3.38Å; R397-D400 WeakPolarHBondContact CG-OD2 3.45Å; R397-D400 PolarHBondContact N-OD2 3.14Å; R397-D400 WeakPolarHBondContact O-CB 3.42Å; R397-D400 PolarHBondContact O-N 3.25Å
401	T	93.4	Very high	87.9	Confident	80 Å²	80	60.9 Å²	60.9	49%	0.491	36%	0.361	S	S	.	.			trans	-139.3	155.3	-177.9	53.9	0	0	0	0	111.9	Y422	T401-Y422 CarbonylContact C-O 3.57Å; T401-Y422 VanDerWaalsContact CA-O 3.25Å; T401-Y422 WeakPolarHBondContact CA-O 3.33Å; T401-Y422 WeakPolarHBondContact CB-O 3.13Å
402	T	88.3	Confident	88.3	Confident	19 Å²	19	58.1 Å²	58.1	12%	0.117	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-124.2	170.8	173.1	-165	0	0	0	0	111.2	I367 K393 D421 Y422	I367-T402 HydrophobicContact CD1-CG2 3.96Å; K393-T402 HydrophobicContact CG-CG2 4.2Å; T402-D421 CarbonylContact O-C 3.48Å; T402-D421 WeakPolarHBondContact O-CA 3.25Å; T402-Y422 HydrophobicContact CG2-CD2 4.03Å; T402-Y422 HydrophobicContact CG2-CE1 4.19Å; T402-Y422 HydrophobicContact CG2-CE2 3.43Å; T402-Y422 VanDerWaalsContact CG2-CE2 3.43Å; T402-Y422 PolarHBondContact N-O 3.35Å; T402-Y422 VanDerWaalsContact O-CD1 3.29Å; T402-Y422 WeakPolarHBondContact O-CD1 3.2Å; T402-Y422 PolarHBondContact O-N 3.44Å
403	S	87.5	Confident	88.5	Confident	64 Å²	64	58 Å²	58	45%	0.448	35%	0.347	S	S	.	.			trans	-140.2	9.4	-172	62.9	0	0	0	0	115.2	F405 D421	S403-F405 PolarHBondContact O-N 3.32Å; S403-D421 VanDerWaalsContact CB-OD1 3.25Å; S403-D421 WeakPolarHBondContact CB-OD1 3.45Å
404	T	82.8	Confident	88.9	Confident	72 Å²	72	54.4 Å²	54.4	44%	0.442	33%	0.331	S	S	.	.			trans	-61.4	127.6	175	-46.5	0	0	0	0	110.5	C406 Y422	T404-C406 HydrophobicContact CG2-CB 4.35Å; T404-C406 PolarHBondContact O-N 2.92Å; T404-Y422 WeakPolarHBondContact O-CE1 3.26Å; T404-Y422 PolarHBondContact O-OH 2.83Å
405	F	83.6	Confident	89.2	Confident	103 Å²	103	52.3 Å²	52.3	45%	0.452	32%	0.322	S	S	.	.			trans	-82.9	107.8	172.8	-173	-83.1	0	0	0	109.3	S403 I412 I416 L417 F463	S403-F405 PolarHBondContact O-N 3.32Å; F405-I412 HydrophobicContact CE1-CD1 4.47Å; F405-I412 HydrophobicContact CZ-CD1 4.37Å; F405-I416 HydrophobicContact CD2-CG2 3.81Å; F405-I416 HydrophobicContact CE2-CG2 4.22Å; F405-I416 HydrophobicContact CG-CG2 4.35Å; F405-L417 HydrophobicContact CE2-CD2 3.91Å; F405-L417 HydrophobicContact CZ-CD2 3.99Å; F405-F463 HydrophobicContact CZ-CE2 4.44Å; F405-F463 HydrophobicContact CZ-CZ 4.43Å
406	C	82.8	Confident	89.2	Confident	20 Å²	20	49.7 Å²	49.7	14%	0.135	29%	0.292	C	S	.	.			trans	-155.9	177.8	-174.3	58.7	0	0	0	0	111	R369 M391 T404	R369-C406 VanDerWaalsContact CZ-SG 3.55Å; R369-C406 PolarHBondContact NH1-SG 3.37Å; M391-C406 HydrophobicContact SD-CB 4.27Å; T404-C406 HydrophobicContact CG2-CB 4.35Å; T404-C406 PolarHBondContact O-N 2.92Å
407	G	84.5	Confident	89	Confident	22 Å²	22	49.6 Å²	49.6	23%	0.227	29%	0.291	C	S	.	.	S	Bend	trans	98.5	160.2	-177	0	0	0	0	0	113.7	R369 I412	R369-G407 WeakPolarHBondContact O-CA 3.38Å; G407-I412 WeakPolarHBondContact O-CD1 3.1Å
408	T	86.7	Confident	88.8	Confident	40 Å²	40	43.7 Å²	43.7	25%	0.245	27%	0.269	C	S	.	.			trans	-71.7	129.2	179.7	-66.4	0	0	0	0	111.9	D370 K372 N410 Y411 I412	D370-T408 WeakPolarHBondContact OD1-CB 3.43Å; D370-T408 PolarHBondContact OD1-N 3.04Å; D370-T408 VanDerWaalsContact OD1-N 3.09Å; D370-T408 PolarHBondContact OD1-OG1 2.86Å; K372-T408 HydrophobicContact CD-CG2 4.17Å; K372-T408 WeakPolarHBondContact CD-OG1 3.49Å; T408-N410 VanDerWaalsContact C-N 3.35Å; T408-N410 PolarHBondContact O-N 2.74Å; T408-Y411 HydrophobicContact CG2-CD2 3.94Å; T408-Y411 HydrophobicContact CG2-CE2 4.33Å; T408-Y411 PolarHBondContact O-N 3.4Å; T408-I412 WeakPolarHBondContact O-CG1 3.47Å; T408-I412 PolarHBondContact O-N 2.29Å
409	P	88.5	Confident	88.7	Confident	37 Å²	37	38.3 Å²	38.3	24%	0.24	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-47.3	-41	-167	-34.6	36.6	0	0	0	117.7	Y411 L462 F463 I466	P409-Y411 VanDerWaalsContact C-N 3.26Å; P409-Y411 PolarHBondContact O-N 3.43Å; P409-L462 HydrophobicContact CB-CD2 3.94Å; P409-F463 HydrophobicContact CB-CE1 3.98Å; P409-F463 HydrophobicContact CB-CZ 4.36Å; P409-I466 WeakPolarHBondContact O-CD1 3.46Å
410	N	89.2	Confident	89	Confident	59 Å²	59	38.5 Å²	38.5	32%	0.316	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-68.3	-20.7	179	-79.2	-46.9	0	0	0	114.2	T408 F445 L462	T408-N410 VanDerWaalsContact C-N 3.35Å; T408-N410 PolarHBondContact O-N 2.74Å; N410-F445 VanDerWaalsContact O-CE2 3.25Å; N410-F445 WeakPolarHBondContact O-CE2 3.5Å; N410-L462 WeakPolarHBondContact OD1-CD2 3.33Å
411	Y	96.1	Very high	88.9	Confident	16 Å²	16	40.1 Å²	40.1	6%	0.063	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-107.9	-4.8	-175.2	-58.4	-89.7	0	0	0	113	L371 K372 L373 T408 P409 A413 W429 V433 L434 E437	L371-Y411 VanDerWaalsContact O-CD1 3.28Å; L371-Y411 WeakPolarHBondContact O-CD1 3.26Å; L371-Y411 VanDerWaalsContact O-CG 3.29Å; K372-Y411 HydrophobicContact CB-CD2 3.71Å; K372-Y411 HydrophobicContact CB-CE1 4.36Å; K372-Y411 HydrophobicContact CB-CE2 3.32Å; K372-Y411 HydrophobicContact CB-CG 4.35Å; L373-Y411 PolarHBondContact N-OH 3.19Å; T408-Y411 HydrophobicContact CG2-CD2 3.94Å; T408-Y411 HydrophobicContact CG2-CE2 4.33Å; T408-Y411 PolarHBondContact O-N 3.4Å; P409-Y411 VanDerWaalsContact C-N 3.26Å; P409-Y411 PolarHBondContact O-N 3.43Å; Y411-A413 PolarHBondContact O-N 3.35Å; Y411-W429 VanDerWaalsContact O-CD1 3.26Å; Y411-V433 HydrophobicContact CD1-CB 3.79Å; Y411-V433 HydrophobicContact CD1-CG1 3.56Å; Y411-V433 HydrophobicContact CE1-CB 4.16Å; Y411-V433 HydrophobicContact CE1-CG1 3.64Å; Y411-V433 HydrophobicContact CG-CG1 4.36Å; Y411-L434 HydrophobicContact CE1-CB 4.23Å; Y411-E437 VanDerWaalsContact CE1-OE2 3.3Å; Y411-E437 WeakPolarHBondContact CE1-OE2 3.13Å; Y411-E437 VanDerWaalsContact CZ-OE2 3.23Å; Y411-E437 PolarHBondContact OH-OE2 2.85Å
412	I	93.6	Very high	89	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.036	21%	0.205	C	C	.	.			trans	-63.2	129.8	-177.9	-56.2	-175.7	0	0	0	110.8	F405 G407 T408 I416 L417 W429 F463	F405-I412 HydrophobicContact CE1-CD1 4.47Å; F405-I412 HydrophobicContact CZ-CD1 4.37Å; G407-I412 WeakPolarHBondContact O-CD1 3.1Å; T408-I412 WeakPolarHBondContact O-CG1 3.47Å; T408-I412 PolarHBondContact O-N 2.29Å; I412-I416 HydrophobicContact CG2-CB 3.64Å; I412-I416 HydrophobicContact CG2-CD1 4.1Å; I412-I416 HydrophobicContact CG2-CG1 4.43Å; I412-I416 HydrophobicContact CG2-CG2 3.68Å; I412-L417 HydrophobicContact CB-CD2 4.23Å; I412-L417 HydrophobicContact CB-CG 4.47Å; I412-L417 HydrophobicContact CG2-CD2 3.65Å; I412-L417 HydrophobicContact CG2-CG 3.82Å; I412-W429 PolarHBondContact O-NE1 3.16Å; I412-F463 HydrophobicContact CD1-CE1 4.06Å; I412-F463 HydrophobicContact CD1-CZ 4.41Å
413	A	96.8	Very high	89.4	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.008	21%	0.206	C	C	.	.			trans	-73.7	149.1	-179.3	0	0	0	0	0	113.2	Y411 E415 I416 L417 V426 W429	Y411-A413 PolarHBondContact O-N 3.35Å; A413-E415 VanDerWaalsContact C-N 3.25Å; A413-E415 HydrophobicContact CB-CG 4.31Å; A413-E415 PolarHBondContact O-N 3.38Å; A413-E415 VanDerWaalsContact O-N 3.16Å; A413-I416 HydrophobicContact CB-CD1 4.35Å; A413-I416 HydrophobicContact CB-CG1 4.41Å; A413-I416 WeakPolarHBondContact O-CB 3.34Å; A413-I416 PolarHBondContact O-N 3.09Å; A413-L417 PolarHBondContact O-N 3.41Å; A413-V426 HydrophobicContact CB-CB 3.93Å; A413-V426 HydrophobicContact CB-CG1 3.85Å; A413-W429 VanDerWaalsContact CA-CD1 3.5Å; A413-W429 HydrophobicContact CB-CB 3.95Å; A413-W429 HydrophobicContact CB-CG 3.83Å
414	P	96.1	Very high	89.8	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.013	19%	0.194	C	C	.	.	H	α-helix	trans	-58.9	-29.4	-177.5	-28	37	0	0	0	114.8	R418 W429 I466 L467 K491	P414-R418 WeakPolarHBondContact O-CB 3.4Å; P414-R418 VanDerWaalsContact O-CG 3.28Å; P414-R418 WeakPolarHBondContact O-CG 3.41Å; P414-R418 PolarHBondContact O-N 3.28Å; P414-R418 PolarHBondContact O-NE 3.07Å; P414-W429 HydrophobicContact CG-CD2 4.33Å; P414-W429 HydrophobicContact CG-CE3 4.09Å; P414-W429 HydrophobicContact CG-CH2 3.48Å; P414-W429 VanDerWaalsContact CG-CH2 3.48Å; P414-W429 HydrophobicContact CG-CZ2 3.75Å; P414-W429 HydrophobicContact CG-CZ3 3.66Å; P414-I466 HydrophobicContact CG-CG2 4.15Å; P414-L467 HydrophobicContact CB-CD2 4.24Å; P414-K491 HydrophobicContact CB-CB 4.37Å; P414-K491 HydrophobicContact CG-CB 4.17Å; P414-K491 HydrophobicContact CG-CG 4.16Å
415	E	96.3	Very high	90.5	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-39.5	173.6	57.2	-92.3	-144.6	0	0	113	A413 R418 G419 E420 S425 V426 P493 R496	A413-E415 VanDerWaalsContact C-N 3.25Å; A413-E415 HydrophobicContact CB-CG 4.31Å; A413-E415 PolarHBondContact O-N 3.38Å; A413-E415 VanDerWaalsContact O-N 3.16Å; E415-R418 CarbonylContact O-C 3.36Å; E415-R418 PolarHBondContact O-N 3.48Å; E415-G419 PolarHBondContact O-N 3Å; E415-E420 HydrophobicContact CB-CB 4.36Å; E415-E420 PolarHBondContact O-N 3.19Å; E415-S425 PolarHBondContact OE1-OG 2.81Å; E415-V426 HydrophobicContact CG-CG1 4.05Å; E415-P493 HydrophobicContact CB-CG 4.46Å; E415-R496 IonicContact OE1-CZ 4Å; E415-R496 IonicContact OE1-NH1 3.57Å; E415-R496 PolarHBondContact OE1-NH1 2.98Å; E415-R496 IonicContact OE1-NH2 2.63Å; E415-R496 IonicContact OE2-CZ 2.71Å; E415-R496 IonicContact OE2-NH1 3.95Å; E415-R496 PolarHBondContact OE2-NH1 2.83Å; E415-R496 IonicContact OE2-NH2 2.89Å; E415-R496 PolarHBondContact OE2-NH2 2.77Å
416	I	89.8	Confident	91.2	Very high	10 Å²	10	28.2 Å²	28.2	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.9	175.2	-57.8	174.7	0	0	0	109.7	F405 I412 A413 R418 G419 Y422 V426	F405-I416 HydrophobicContact CD2-CG2 3.81Å; F405-I416 HydrophobicContact CE2-CG2 4.22Å; F405-I416 HydrophobicContact CG-CG2 4.35Å; I412-I416 HydrophobicContact CG2-CB 3.64Å; I412-I416 HydrophobicContact CG2-CD1 4.1Å; I412-I416 HydrophobicContact CG2-CG1 4.43Å; I412-I416 HydrophobicContact CG2-CG2 3.68Å; A413-I416 HydrophobicContact CB-CD1 4.35Å; A413-I416 HydrophobicContact CB-CG1 4.41Å; A413-I416 WeakPolarHBondContact O-CB 3.34Å; A413-I416 PolarHBondContact O-N 3.09Å; I416-R418 VanDerWaalsContact C-N 3.3Å; I416-R418 PolarHBondContact O-N 3.04Å; I416-G419 WeakPolarHBondContact O-CA 3.5Å; I416-G419 PolarHBondContact O-N 3.02Å; I416-Y422 HydrophobicContact CD1-CE1 4.43Å; I416-Y422 HydrophobicContact CD1-CE2 4.46Å; I416-Y422 HydrophobicContact CG1-CD1 3.78Å; I416-Y422 HydrophobicContact CG1-CD2 4.46Å; I416-Y422 HydrophobicContact CG1-CE1 3.84Å; I416-Y422 HydrophobicContact CG1-CG 4.1Å; I416-V426 HydrophobicContact CD1-CB 3.98Å; I416-V426 HydrophobicContact CD1-CG1 3.77Å; I416-V426 HydrophobicContact CD1-CG2 4.47Å; I416-V426 HydrophobicContact CG1-CG1 3.86Å
417	L	83.7	Confident	92	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.073	15%	0.153	C	C	.	.	H	α-helix	trans	-65.2	-32.7	176.4	-63	-177.4	0	0	0	112.7	F405 I412 A413 G419 F463 I466 L467	F405-L417 HydrophobicContact CE2-CD2 3.91Å; F405-L417 HydrophobicContact CZ-CD2 3.99Å; I412-L417 HydrophobicContact CB-CD2 4.23Å; I412-L417 HydrophobicContact CB-CG 4.47Å; I412-L417 HydrophobicContact CG2-CD2 3.65Å; I412-L417 HydrophobicContact CG2-CG 3.82Å; A413-L417 PolarHBondContact O-N 3.41Å; L417-G419 PolarHBondContact O-N 3.49Å; L417-F463 HydrophobicContact CD1-CB 3.98Å; L417-F463 HydrophobicContact CD1-CD1 4.03Å; L417-F463 HydrophobicContact CD1-CG 4.31Å; L417-F463 HydrophobicContact CD2-CB 4.11Å; L417-F463 HydrophobicContact CD2-CD1 3.48Å; L417-F463 VanDerWaalsContact CD2-CD1 3.48Å; L417-F463 HydrophobicContact CD2-CD2 4.32Å; L417-F463 HydrophobicContact CD2-CE1 3.94Å; L417-F463 HydrophobicContact CD2-CG 3.71Å; L417-F463 HydrophobicContact CG-CD1 4.43Å; L417-I466 HydrophobicContact CD1-CB 3.71Å; L417-I466 HydrophobicContact CD1-CD1 4.17Å; L417-I466 HydrophobicContact CD1-CG2 3.46Å; L417-I466 VanDerWaalsContact CD1-CG2 3.46Å; L417-L467 HydrophobicContact CB-CD1 4.16Å; L417-L467 HydrophobicContact CB-CD2 3.89Å; L417-L467 HydrophobicContact CB-CG 4.07Å; L417-L467 HydrophobicContact CD1-CG 4.16Å
418	R	86	Confident	92.7	Very high	66 Å²	66	26.5 Å²	26.5	25%	0.249	14%	0.143	C	C	.	.	H	α-helix	trans	-70.5	-17.3	169.3	-74	174.8	-70.8	147.8	-7.7	113	L158 P414 E415 I416 E420 L467 K491	L158-R418 HydrophobicContact CD1-CB 4.48Å; L158-R418 HydrophobicContact CD1-CG 3.94Å; L158-R418 HydrophobicContact CD2-CB 4.08Å; L158-R418 HydrophobicContact CD2-CG 4.1Å; L158-R418 WeakPolarHBondContact CD2-O 3.46Å; P414-R418 WeakPolarHBondContact O-CB 3.4Å; P414-R418 VanDerWaalsContact O-CG 3.28Å; P414-R418 WeakPolarHBondContact O-CG 3.41Å; P414-R418 PolarHBondContact O-N 3.28Å; P414-R418 PolarHBondContact O-NE 3.07Å; E415-R418 CarbonylContact O-C 3.36Å; E415-R418 PolarHBondContact O-N 3.48Å; I416-R418 VanDerWaalsContact C-N 3.3Å; I416-R418 PolarHBondContact O-N 3.04Å; R418-E420 VanDerWaalsContact C-N 3.26Å; R418-E420 HydrophobicContact CB-CG 3.91Å; R418-E420 VanDerWaalsContact CD-OE1 3.32Å; R418-E420 WeakPolarHBondContact CD-OE1 3.46Å; R418-E420 IonicContact CZ-OE1 2.87Å; R418-E420 IonicContact CZ-OE2 3.02Å; R418-E420 IonicContact NE-OE1 2.65Å; R418-E420 IonicContact NE-OE2 3.65Å; R418-E420 IonicContact NH1-OE1 2.78Å; R418-E420 PolarHBondContact NH1-OE1 3.03Å; R418-E420 IonicContact NH1-OE2 2.81Å; R418-E420 PolarHBondContact NH1-OE2 2.9Å; R418-E420 IonicContact NH2-OE2 2.73Å; R418-L467 HydrophobicContact CG-CD2 3.81Å; R418-K491 PolarHBondContact NH2-O 2.84Å; R418-K491 VanDerWaalsContact NH2-O 3.11Å
419	G	82.6	Confident	93.2	Very high	20 Å²	20	24.6 Å²	24.6	21%	0.206	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	29.6	-175.5	0	0	0	0	0	112.1	R141 E415 I416 L417	R141-G419 PolarHBondContact NH1-O 3.45Å; E415-G419 PolarHBondContact O-N 3Å; I416-G419 WeakPolarHBondContact O-CA 3.5Å; I416-G419 PolarHBondContact O-N 3.02Å; L417-G419 PolarHBondContact O-N 3.49Å
420	E	88.6	Confident	93.7	Very high	79 Å²	79	23.1 Å²	23.1	37%	0.369	12%	0.122	S	C	.	.			trans	-78.6	158.2	170.6	-69.1	168.6	-166.4	0	0	110	E415 R418	E415-E420 HydrophobicContact CB-CB 4.36Å; E415-E420 PolarHBondContact O-N 3.19Å; R418-E420 VanDerWaalsContact C-N 3.26Å; R418-E420 HydrophobicContact CB-CG 3.91Å; R418-E420 VanDerWaalsContact CD-OE1 3.32Å; R418-E420 WeakPolarHBondContact CD-OE1 3.46Å; R418-E420 IonicContact CZ-OE1 2.87Å; R418-E420 IonicContact CZ-OE2 3.02Å; R418-E420 IonicContact NE-OE1 2.65Å; R418-E420 IonicContact NE-OE2 3.65Å; R418-E420 IonicContact NH1-OE1 2.78Å; R418-E420 PolarHBondContact NH1-OE1 3.03Å; R418-E420 IonicContact NH1-OE2 2.81Å; R418-E420 PolarHBondContact NH1-OE2 2.9Å; R418-E420 IonicContact NH2-OE2 2.73Å
421	D	91.1	Very high	94.2	Very high	109 Å²	109	20.3 Å²	20.3	58%	0.583	11%	0.107	S	C	*	.			trans	-72.7	136.5	169.9	-52.3	-36.7	0	0	0	108.7	T402 S403	T402-D421 CarbonylContact O-C 3.48Å; T402-D421 WeakPolarHBondContact O-CA 3.25Å; S403-D421 VanDerWaalsContact CB-OD1 3.25Å; S403-D421 WeakPolarHBondContact CB-OD1 3.45Å
422	Y	94.4	Very high	94.3	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.02	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-134.1	158.1	-171.3	65.1	-94.9	0	0	0	112.2	I367 R369 T401 T402 T404 I416 V426	I367-Y422 HydrophobicContact CD1-CD2 4.41Å; I367-Y422 HydrophobicContact CD1-CE2 4.33Å; R369-Y422 WeakPolarHBondContact CD-OH 3.25Å; R369-Y422 PolarHBondContact NH1-OH 3.36Å; T401-Y422 CarbonylContact C-O 3.57Å; T401-Y422 VanDerWaalsContact CA-O 3.25Å; T401-Y422 WeakPolarHBondContact CA-O 3.33Å; T401-Y422 WeakPolarHBondContact CB-O 3.13Å; T402-Y422 HydrophobicContact CG2-CD2 4.03Å; T402-Y422 HydrophobicContact CG2-CE1 4.19Å; T402-Y422 HydrophobicContact CG2-CE2 3.43Å; T402-Y422 VanDerWaalsContact CG2-CE2 3.43Å; T402-Y422 PolarHBondContact N-O 3.35Å; T402-Y422 VanDerWaalsContact O-CD1 3.29Å; T402-Y422 WeakPolarHBondContact O-CD1 3.2Å; T402-Y422 PolarHBondContact O-N 3.44Å; T404-Y422 WeakPolarHBondContact O-CE1 3.26Å; T404-Y422 PolarHBondContact O-OH 2.83Å; I416-Y422 HydrophobicContact CD1-CE1 4.43Å; I416-Y422 HydrophobicContact CD1-CE2 4.46Å; I416-Y422 HydrophobicContact CG1-CD1 3.78Å; I416-Y422 HydrophobicContact CG1-CD2 4.46Å; I416-Y422 HydrophobicContact CG1-CE1 3.84Å; I416-Y422 HydrophobicContact CG1-CG 4.1Å; Y422-V426 HydrophobicContact CD2-CB 4.4Å; Y422-V426 HydrophobicContact CD2-CG1 3.47Å; Y422-V426 VanDerWaalsContact CD2-CG1 3.47Å; Y422-V426 HydrophobicContact CD2-CG2 4.01Å; Y422-V426 HydrophobicContact CE2-CG1 4.22Å; Y422-V426 HydrophobicContact CE2-CG2 4.15Å; Y422-V426 HydrophobicContact CG-CG1 3.79Å
423	G	95.8	Very high	94.5	Very high	13 Å²	13	19.2 Å²	19.2	13%	0.134	10%	0.102	C	C	.	.			trans	-123.6	-146	174.2	0	0	0	0	0	111.2	S425	G423-S425 PolarHBondContact O-N 2.95Å
424	F	96.8	Very high	94.6	Very high	47 Å²	47	19.1 Å²	19.1	21%	0.206	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-13.8	179	-49.9	-59.8	0	0	0	115.3	H362 I367 L396 V426 D427	H362-F424 HydrophobicContact CB-CD1 3.88Å; H362-F424 HydrophobicContact CB-CD2 4.5Å; H362-F424 HydrophobicContact CB-CE1 4.22Å; H362-F424 HydrophobicContact CB-CG 4.05Å; H362-F424 AromaticContact CD2-CD1 3.47Å; H362-F424 VanDerWaalsContact CD2-CD1 3.47Å; H362-F424 WeakPolarHBondContact CD2-CD1 3.16Å; H362-F424 AromaticContact CG-CD1 3.63Å; H362-F424 AromaticContact CG-CG 3.8Å; I367-F424 HydrophobicContact CB-CD1 4.45Å; I367-F424 HydrophobicContact CG1-CD1 3.63Å; I367-F424 HydrophobicContact CG1-CE1 3.85Å; L396-F424 HydrophobicContact CB-CZ 4.27Å; F424-V426 PolarHBondContact O-N 3.33Å; F424-V426 VanDerWaalsContact O-N 3.11Å; F424-D427 PolarHBondContact O-N 3.27Å
425	S	98	Very high	94.8	Very high	17 Å²	17	19 Å²	19	12%	0.119	10%	0.101	C	C	.	.	H	α-helix	trans	-57.2	-27.2	-178.8	60.7	0	0	0	0	114.3	E415 G423 W428 W429 R496 C499	E415-S425 PolarHBondContact OE1-OG 2.81Å; G423-S425 PolarHBondContact O-N 2.95Å; S425-W428 PolarHBondContact O-N 3.43Å; S425-W429 PolarHBondContact O-N 3.11Å; S425-R496 PolarHBondContact O-NH1 3.38Å; S425-C499 VanDerWaalsContact CA-SG 3.57Å
426	V	98.4	Very high	94.9	Very high	6 Å²	6	19.1 Å²	19.1	4%	0.036	10%	0.102	C	C	.	.	H	α-helix	trans	-71.9	-33	-175.4	-54.3	0	0	0	0	112.3	I367 R369 A413 E415 I416 Y422 F424 W429 A430	I367-V426 HydrophobicContact CG2-CG2 3.61Å; R369-V426 HydrophobicContact CG-CG2 4.34Å; A413-V426 HydrophobicContact CB-CB 3.93Å; A413-V426 HydrophobicContact CB-CG1 3.85Å; E415-V426 HydrophobicContact CG-CG1 4.05Å; I416-V426 HydrophobicContact CD1-CB 3.98Å; I416-V426 HydrophobicContact CD1-CG1 3.77Å; I416-V426 HydrophobicContact CD1-CG2 4.47Å; I416-V426 HydrophobicContact CG1-CG1 3.86Å; Y422-V426 HydrophobicContact CD2-CB 4.4Å; Y422-V426 HydrophobicContact CD2-CG1 3.47Å; Y422-V426 VanDerWaalsContact CD2-CG1 3.47Å; Y422-V426 HydrophobicContact CD2-CG2 4.01Å; Y422-V426 HydrophobicContact CE2-CG1 4.22Å; Y422-V426 HydrophobicContact CE2-CG2 4.15Å; Y422-V426 HydrophobicContact CG-CG1 3.79Å; F424-V426 PolarHBondContact O-N 3.33Å; F424-V426 VanDerWaalsContact O-N 3.11Å; V426-W429 WeakPolarHBondContact O-CB 3.49Å; V426-W429 PolarHBondContact O-N 3Å; V426-A430 PolarHBondContact O-N 3Å
427	D	98.6	Very high	95.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-71.3	-38.7	177	-63.2	-24.7	0	0	0	110.9	L358 H362 I367 Y368 R369 F424 W429 A430 L431	L358-D427 HydrophobicContact CD1-CB 4.05Å; L358-D427 HydrophobicContact CD2-CB 3.91Å; H362-D427 IonicContact CD2-OD2 2.67Å; H362-D427 IonicContact CE1-OD2 2.64Å; H362-D427 IonicContact NE2-OD2 3.2Å; H362-D427 PolarHBondContact NE2-OD2 2.81Å; I367-D427 WeakPolarHBondContact CG2-OD2 3.37Å; Y368-D427 PolarHBondContact N-OD1 2.94Å; Y368-D427 PolarHBondContact N-OD2 3.17Å; R369-D427 WeakPolarHBondContact CA-OD1 3.45Å; R369-D427 PolarHBondContact N-OD1 3.17Å; F424-D427 PolarHBondContact O-N 3.27Å; D427-W429 VanDerWaalsContact C-N 3.3Å; D427-W429 PolarHBondContact O-N 2.88Å; D427-A430 PolarHBondContact O-N 3.27Å; D427-L431 PolarHBondContact O-N 3.5Å
428	W	98.8	Very high	95.9	Very high	6 Å²	6	18.9 Å²	18.9	2%	0.023	10%	0.1	C	C	.	.	H	α-helix	trans	-65.8	-31.5	174.4	-61.5	125.9	0	0	0	112.9	L358 H362 S425 L431 G432 F488 G498 F505 I508	L358-W428 HydrophobicContact CB-CH2 3.93Å; L358-W428 HydrophobicContact CB-CZ2 4.45Å; L358-W428 HydrophobicContact CB-CZ3 4.21Å; L358-W428 HydrophobicContact CD1-CE3 4.12Å; L358-W428 HydrophobicContact CD1-CH2 4.43Å; L358-W428 HydrophobicContact CD1-CZ3 3.9Å; H362-W428 AromaticContact CE1-CE2 3.62Å; H362-W428 AromaticContact CE1-CZ2 3.74Å; H362-W428 AromaticContact CE1-NE1 3.56Å; H362-W428 AromaticContact ND1-CE2 3.68Å; H362-W428 AromaticContact ND1-CZ2 3.54Å; H362-W428 AromaticContact ND1-NE1 3.55Å; S425-W428 PolarHBondContact O-N 3.43Å; W428-L431 HydrophobicContact CE3-CD2 3.84Å; W428-L431 HydrophobicContact CZ3-CD2 3.87Å; W428-G432 PolarHBondContact O-N 3.47Å; W428-F488 HydrophobicContact CB-CD1 4.08Å; W428-F488 HydrophobicContact CB-CE1 4.29Å; W428-F488 HydrophobicContact CD2-CE1 4.41Å; W428-F488 AromaticContact CE3-CE1 3.89Å; W428-F488 HydrophobicContact CE3-CE1 3.89Å; W428-F488 HydrophobicContact CE3-CZ 4.47Å; W428-F488 WeakPolarHBondContact O-CB 3.2Å; W428-F488 WeakPolarHBondContact O-CD1 3.49Å; W428-G498 PolarHBondContact NE1-O 3.45Å; W428-F505 HydrophobicContact CH2-CD2 4.04Å; W428-F505 HydrophobicContact CH2-CE2 4.45Å; W428-F505 HydrophobicContact CZ2-CD2 4.43Å; W428-I508 HydrophobicContact CD2-CD1 3.82Å; W428-I508 HydrophobicContact CE3-CD1 3.5Å; W428-I508 HydrophobicContact CH2-CD1 3.57Å; W428-I508 HydrophobicContact CZ2-CD1 3.85Å; W428-I508 HydrophobicContact CZ3-CD1 3.38Å
429	W	98.8	Very high	96.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.8	-48.7	169.4	170.5	-87.4	0	0	0	111.7	Y411 I412 A413 P414 S425 V426 D427 L431 G432 V433 F445 I466 I471 L489 K491	Y411-W429 VanDerWaalsContact O-CD1 3.26Å; I412-W429 PolarHBondContact O-NE1 3.16Å; A413-W429 VanDerWaalsContact CA-CD1 3.5Å; A413-W429 HydrophobicContact CB-CB 3.95Å; A413-W429 HydrophobicContact CB-CG 3.83Å; P414-W429 HydrophobicContact CG-CD2 4.33Å; P414-W429 HydrophobicContact CG-CE3 4.09Å; P414-W429 HydrophobicContact CG-CH2 3.48Å; P414-W429 VanDerWaalsContact CG-CH2 3.48Å; P414-W429 HydrophobicContact CG-CZ2 3.75Å; P414-W429 HydrophobicContact CG-CZ3 3.66Å; S425-W429 PolarHBondContact O-N 3.11Å; V426-W429 WeakPolarHBondContact O-CB 3.49Å; V426-W429 PolarHBondContact O-N 3Å; D427-W429 VanDerWaalsContact C-N 3.3Å; D427-W429 PolarHBondContact O-N 2.88Å; W429-L431 VanDerWaalsContact C-N 3.28Å; W429-L431 PolarHBondContact O-N 2.91Å; W429-G432 WeakPolarHBondContact O-CA 3.39Å; W429-G432 PolarHBondContact O-N 2.75Å; W429-V433 PolarHBondContact O-N 3.02Å; W429-F445 HydrophobicContact CH2-CZ 4.44Å; W429-F445 HydrophobicContact CZ2-CE1 4.24Å; W429-F445 AromaticContact CZ2-CZ 3.65Å; W429-F445 HydrophobicContact CZ2-CZ 3.65Å; W429-I466 HydrophobicContact CZ2-CG2 3.94Å; W429-I471 HydrophobicContact CH2-CD1 4.19Å; W429-L489 HydrophobicContact CD2-CD2 4.25Å; W429-L489 HydrophobicContact CE3-CD2 4.26Å; W429-L489 HydrophobicContact CH2-CD2 4.38Å; W429-L489 HydrophobicContact CZ2-CD2 4.36Å; W429-L489 HydrophobicContact CZ3-CB 4.25Å; W429-L489 HydrophobicContact CZ3-CD2 4.34Å; W429-L489 WeakPolarHBondContact CZ3-O 2.97Å; W429-K491 HydrophobicContact CH2-CG 4.23Å; W429-K491 HydrophobicContact CZ3-CG 4.15Å
430	A	98.8	Very high	97.1	Very high	5 Å²	5	15.9 Å²	15.9	4%	0.041	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-38	179.2	0	0	0	0	0	111.8	L371 V426 D427 G432 V433 L434	L371-A430 HydrophobicContact CB-CB 3.92Å; L371-A430 HydrophobicContact CD2-CB 4.35Å; L371-A430 HydrophobicContact CG-CB 4.49Å; V426-A430 PolarHBondContact O-N 3Å; D427-A430 PolarHBondContact O-N 3.27Å; A430-G432 VanDerWaalsContact C-N 3.33Å; A430-G432 PolarHBondContact O-N 2.72Å; A430-V433 WeakPolarHBondContact O-CB 3.28Å; A430-V433 PolarHBondContact O-N 3.21Å; A430-V433 VanDerWaalsContact O-N 3.16Å; A430-L434 WeakPolarHBondContact O-CB 3.21Å; A430-L434 PolarHBondContact O-N 3.23Å
431	L	98.9	Very high	97.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-41.7	171	179.3	62.4	0	0	0	111.5	I354 S355 L371 D427 W428 W429 V433 L434 M435 F488	I354-L431 HydrophobicContact CB-CD1 4.2Å; I354-L431 HydrophobicContact CD1-CD1 4.44Å; I354-L431 HydrophobicContact CG2-CD1 3.85Å; S355-L431 VanDerWaalsContact OG-CD2 3.26Å; S355-L431 WeakPolarHBondContact OG-CD2 3.46Å; L371-L431 HydrophobicContact CD2-CB 3.94Å; L371-L431 HydrophobicContact CD2-CD1 4.39Å; D427-L431 PolarHBondContact O-N 3.5Å; W428-L431 HydrophobicContact CE3-CD2 3.84Å; W428-L431 HydrophobicContact CZ3-CD2 3.87Å; W429-L431 VanDerWaalsContact C-N 3.28Å; W429-L431 PolarHBondContact O-N 2.91Å; L431-V433 VanDerWaalsContact C-N 3.31Å; L431-V433 PolarHBondContact O-N 3.43Å; L431-L434 PolarHBondContact O-N 3.43Å; L431-M435 HydrophobicContact CD1-CG 4.1Å; L431-M435 HydrophobicContact CD1-SD 4.4Å; L431-M435 HydrophobicContact CG-CG 4.29Å; L431-M435 HydrophobicContact CG-SD 4.11Å; L431-M435 VanDerWaalsContact O-CB 3.28Å; L431-M435 WeakPolarHBondContact O-CB 3.47Å; L431-M435 VanDerWaalsContact O-CG 3.22Å; L431-M435 WeakPolarHBondContact O-CG 3.32Å; L431-M435 PolarHBondContact O-N 2.8Å; L431-F488 HydrophobicContact CD2-CE1 4.2Å; L431-F488 HydrophobicContact CD2-CE2 4.06Å; L431-F488 HydrophobicContact CD2-CZ 3.76Å; L431-F488 HydrophobicContact CG-CE2 4.47Å
432	G	98.8	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59	-38.8	173.3	0	0	0	0	0	113.7	W428 W429 A430 F436 F488	W428-G432 PolarHBondContact O-N 3.47Å; W429-G432 WeakPolarHBondContact O-CA 3.39Å; W429-G432 PolarHBondContact O-N 2.75Å; A430-G432 VanDerWaalsContact C-N 3.33Å; A430-G432 PolarHBondContact O-N 2.72Å; G432-F436 WeakPolarHBondContact O-CB 3.45Å; G432-F436 PolarHBondContact O-N 2.91Å; G432-F436 VanDerWaalsContact O-N 3.07Å; G432-F488 VanDerWaalsContact CA-CB 3.49Å
433	V	98.6	Very high	97.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.8	-50.5	175.8	176.8	0	0	0	0	110.1	Y411 W429 A430 L431 M435 F436 E437 P444 F445 L489	Y411-V433 HydrophobicContact CD1-CB 3.79Å; Y411-V433 HydrophobicContact CD1-CG1 3.56Å; Y411-V433 HydrophobicContact CE1-CB 4.16Å; Y411-V433 HydrophobicContact CE1-CG1 3.64Å; Y411-V433 HydrophobicContact CG-CG1 4.36Å; W429-V433 PolarHBondContact O-N 3.02Å; A430-V433 WeakPolarHBondContact O-CB 3.28Å; A430-V433 PolarHBondContact O-N 3.21Å; A430-V433 VanDerWaalsContact O-N 3.16Å; L431-V433 VanDerWaalsContact C-N 3.31Å; L431-V433 PolarHBondContact O-N 3.43Å; V433-M435 VanDerWaalsContact C-N 3.35Å; V433-M435 PolarHBondContact O-N 2.86Å; V433-F436 WeakPolarHBondContact O-CA 3.48Å; V433-F436 WeakPolarHBondContact O-CB 3.44Å; V433-F436 PolarHBondContact O-N 2.71Å; V433-E437 PolarHBondContact O-N 2.89Å; V433-P444 HydrophobicContact CB-CG 4.47Å; V433-P444 HydrophobicContact CG1-CG 3.99Å; V433-P444 HydrophobicContact CG2-CG 4.34Å; V433-F445 HydrophobicContact CG1-CE2 4.35Å; V433-F445 HydrophobicContact CG2-CE2 3.93Å; V433-F445 HydrophobicContact CG2-CZ 4.13Å; V433-L489 HydrophobicContact CG2-CD2 3.67Å
434	L	98.6	Very high	97.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.7	-41.9	179.6	-162.8	160.4	0	0	0	111.6	L332 I354 L371 L373 V376 Y411 A430 L431 F436 E437 M438	L332-L434 HydrophobicContact CD1-CD2 4.28Å; I354-L434 HydrophobicContact CD1-CD1 4.48Å; I354-L434 HydrophobicContact CD1-CD2 4.16Å; L371-L434 HydrophobicContact CD1-CD1 3.83Å; L371-L434 HydrophobicContact CD2-CD1 4.35Å; L371-L434 HydrophobicContact CG-CD1 3.81Å; L373-L434 HydrophobicContact CD2-CD2 3.96Å; L373-L434 HydrophobicContact CD2-CG 3.89Å; L373-L434 HydrophobicContact CG-CG 4.32Å; V376-L434 HydrophobicContact CG2-CD1 3.86Å; Y411-L434 HydrophobicContact CE1-CB 4.23Å; A430-L434 WeakPolarHBondContact O-CB 3.21Å; A430-L434 PolarHBondContact O-N 3.23Å; L431-L434 PolarHBondContact O-N 3.43Å; L434-F436 VanDerWaalsContact C-N 3.34Å; L434-F436 PolarHBondContact O-N 2.95Å; L434-E437 PolarHBondContact O-N 2.77Å; L434-M438 HydrophobicContact CD2-CE 3.65Å; L434-M438 HydrophobicContact CD2-CG 4.04Å; L434-M438 HydrophobicContact CD2-SD 3.88Å; L434-M438 WeakPolarHBondContact O-CG 3.41Å; L434-M438 PolarHBondContact O-N 3.04Å
435	M	98.7	Very high	97	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.6	-38.9	172	-76.2	-177.2	78.7	0	0	112.8	S351 L431 V433 M438 M439 V484 L485 F488 F513 F514	S351-M435 WeakPolarHBondContact OG-CE 3.48Å; L431-M435 HydrophobicContact CD1-CG 4.1Å; L431-M435 HydrophobicContact CD1-SD 4.4Å; L431-M435 HydrophobicContact CG-CG 4.29Å; L431-M435 HydrophobicContact CG-SD 4.11Å; L431-M435 VanDerWaalsContact O-CB 3.28Å; L431-M435 WeakPolarHBondContact O-CB 3.47Å; L431-M435 VanDerWaalsContact O-CG 3.22Å; L431-M435 WeakPolarHBondContact O-CG 3.32Å; L431-M435 PolarHBondContact O-N 2.8Å; V433-M435 VanDerWaalsContact C-N 3.35Å; V433-M435 PolarHBondContact O-N 2.86Å; M435-M438 HydrophobicContact CG-CE 4.17Å; M435-M439 HydrophobicContact CB-CE 4.02Å; M435-M439 HydrophobicContact CE-CE 4.08Å; M435-M439 WeakPolarHBondContact O-CB 3.46Å; M435-M439 VanDerWaalsContact O-CE 3.25Å; M435-M439 WeakPolarHBondContact O-CE 3.31Å; M435-M439 PolarHBondContact O-N 2.77Å; M435-M439 VanDerWaalsContact O-N 3.14Å; M435-V484 HydrophobicContact CE-CG1 3.6Å; M435-V484 HydrophobicContact CE-CG2 4.15Å; M435-L485 HydrophobicContact CB-CD2 3.7Å; M435-F488 HydrophobicContact SD-CD2 3.72Å; M435-F488 HydrophobicContact SD-CE2 3.58Å; M435-F488 VanDerWaalsContact SD-CE2 3.58Å; M435-F513 HydrophobicContact CE-CD1 3.87Å; M435-F513 HydrophobicContact CE-CE1 3.38Å; M435-F513 HydrophobicContact CE-CZ 4.03Å; M435-F514 HydrophobicContact CE-CZ 4Å; M435-F514 HydrophobicContact SD-CZ 4.41Å
436	F	98.5	Very high	96.2	Very high	4 Å²	4	15.7 Å²	15.7	2%	0.018	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-46.9	175.2	-173.4	-77.1	0	0	0	110	G432 V433 L434 M439 A440 R442 P444 I471 I473 P474 L485 L489	G432-F436 WeakPolarHBondContact O-CB 3.45Å; G432-F436 PolarHBondContact O-N 2.91Å; G432-F436 VanDerWaalsContact O-N 3.07Å; V433-F436 WeakPolarHBondContact O-CA 3.48Å; V433-F436 WeakPolarHBondContact O-CB 3.44Å; V433-F436 PolarHBondContact O-N 2.71Å; L434-F436 VanDerWaalsContact C-N 3.34Å; L434-F436 PolarHBondContact O-N 2.95Å; F436-M439 CarbonylContact O-C 3.5Å; F436-M439 PolarHBondContact O-N 3.18Å; F436-A440 HydrophobicContact CD1-CB 3.67Å; F436-A440 HydrophobicContact CE1-CB 3.41Å; F436-A440 VanDerWaalsContact CE1-CB 3.41Å; F436-A440 HydrophobicContact CG-CB 4.43Å; F436-A440 HydrophobicContact CZ-CB 4Å; F436-A440 WeakPolarHBondContact O-CA 3.37Å; F436-A440 WeakPolarHBondContact O-CB 3.48Å; F436-A440 PolarHBondContact O-N 3.15Å; F436-R442 WeakPolarHBondContact CD1-O 3.38Å; F436-P444 HydrophobicContact CB-CB 4.3Å; F436-P444 HydrophobicContact CB-CG 4.28Å; F436-P444 HydrophobicContact CD1-CB 3.69Å; F436-P444 HydrophobicContact CD1-CG 4.14Å; F436-P444 HydrophobicContact CD2-CB 3.91Å; F436-P444 VanDerWaalsContact CE1-CA 3.43Å; F436-P444 HydrophobicContact CE1-CB 3.9Å; F436-P444 HydrophobicContact CE2-CB 4.1Å; F436-P444 HydrophobicContact CG-CB 3.71Å; F436-P444 HydrophobicContact CG-CG 4.17Å; F436-P444 HydrophobicContact CZ-CB 4.1Å; F436-I471 HydrophobicContact CD2-CG2 4.3Å; F436-I471 HydrophobicContact CE2-CG2 3.97Å; F436-I473 HydrophobicContact CD2-CD1 4.15Å; F436-I473 HydrophobicContact CE2-CD1 4.06Å; F436-P474 HydrophobicContact CZ-CG 4.37Å; F436-L485 HydrophobicContact CB-CD2 3.97Å; F436-L485 HydrophobicContact CD2-CD1 4.1Å; F436-L489 HydrophobicContact CB-CD1 4.36Å; F436-L489 HydrophobicContact CD2-CD1 4.37Å
437	E	97.3	Very high	94.5	Very high	18 Å²	18	17.3 Å²	17.3	8%	0.084	10%	0.096	C	C	.	.	H	α-helix	trans	-59.9	-49.1	179.3	-71.3	175.1	144.9	0	0	111.8	M336 L373 Y411 V433 L434 M439 A440 G441 R442	M336-E437 WeakPolarHBondContact CE-O 3.4Å; L373-E437 HydrophobicContact CD1-CB 4.24Å; Y411-E437 VanDerWaalsContact CE1-OE2 3.3Å; Y411-E437 WeakPolarHBondContact CE1-OE2 3.13Å; Y411-E437 VanDerWaalsContact CZ-OE2 3.23Å; Y411-E437 PolarHBondContact OH-OE2 2.85Å; V433-E437 PolarHBondContact O-N 2.89Å; L434-E437 PolarHBondContact O-N 2.77Å; E437-M439 VanDerWaalsContact C-N 3.31Å; E437-M439 PolarHBondContact O-N 3.05Å; E437-A440 PolarHBondContact O-N 2.93Å; E437-G441 WeakPolarHBondContact O-CA 3.15Å; E437-G441 PolarHBondContact O-N 2.92Å; E437-R442 WeakPolarHBondContact CA-O 3.49Å
438	M	98.3	Very high	92.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-53.5	-47.1	174.7	-73.5	-168.2	-64.3	0	0	112.2	L332 M336 L342 A347 Y350 L373 L434 M435	L332-M438 HydrophobicContact CD1-SD 4.23Å; M336-M438 HydrophobicContact SD-CG 4.41Å; L342-M438 HydrophobicContact CD1-CB 4.12Å; L342-M438 HydrophobicContact CD1-CG 3.93Å; L342-M438 HydrophobicContact CD1-SD 3.93Å; L342-M438 HydrophobicContact CG-CB 4.45Å; L342-M438 PolarHBondContact N-O 3.46Å; A347-M438 HydrophobicContact CB-CB 4.01Å; A347-M438 HydrophobicContact CB-CE 4.05Å; A347-M438 HydrophobicContact CB-SD 4.41Å; Y350-M438 HydrophobicContact CD2-SD 4.04Å; L373-M438 HydrophobicContact CD2-CG 4.43Å; L434-M438 HydrophobicContact CD2-CE 3.65Å; L434-M438 HydrophobicContact CD2-CG 4.04Å; L434-M438 HydrophobicContact CD2-SD 3.88Å; L434-M438 WeakPolarHBondContact O-CG 3.41Å; L434-M438 PolarHBondContact O-N 3.04Å; M435-M438 HydrophobicContact CG-CE 4.17Å
439	M	98.2	Very high	89.9	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-86.2	-19	-174.8	-69.6	-172.9	-80.7	0	0	114.6	K341 E344 A347 M435 F436 E437 L477 A481 L485 F513	K341-M439 VanDerWaalsContact CD-O 3.23Å; K341-M439 WeakPolarHBondContact CD-O 3.45Å; K341-M439 WeakPolarHBondContact CE-O 3.43Å; K341-M439 PolarHBondContact NZ-O 3.41Å; E344-M439 HydrophobicContact CB-SD 4.39Å; E344-M439 HydrophobicContact CG-SD 3.95Å; A347-M439 HydrophobicContact CB-CG 3.49Å; A347-M439 VanDerWaalsContact CB-CG 3.49Å; A347-M439 HydrophobicContact CB-SD 4.15Å; M435-M439 HydrophobicContact CB-CE 4.02Å; M435-M439 HydrophobicContact CE-CE 4.08Å; M435-M439 WeakPolarHBondContact O-CB 3.46Å; M435-M439 VanDerWaalsContact O-CE 3.25Å; M435-M439 WeakPolarHBondContact O-CE 3.31Å; M435-M439 PolarHBondContact O-N 2.77Å; M435-M439 VanDerWaalsContact O-N 3.14Å; F436-M439 CarbonylContact O-C 3.5Å; F436-M439 PolarHBondContact O-N 3.18Å; E437-M439 VanDerWaalsContact C-N 3.31Å; E437-M439 PolarHBondContact O-N 3.05Å; M439-L477 HydrophobicContact CB-CD1 4.03Å; M439-L477 HydrophobicContact CB-CD2 3.96Å; M439-L477 WeakPolarHBondContact O-CD2 3.48Å; M439-A481 HydrophobicContact CE-CB 4.4Å; M439-A481 HydrophobicContact SD-CB 3.77Å; M439-L485 HydrophobicContact CE-CD1 3.92Å; M439-L485 HydrophobicContact CE-CD2 3.82Å; M439-L485 HydrophobicContact CE-CG 3.88Å; M439-F513 HydrophobicContact CE-CZ 4.28Å; M439-F513 HydrophobicContact SD-CE2 4.06Å; M439-F513 HydrophobicContact SD-CZ 4Å
440	A	95.7	Very high	87.5	Confident	23 Å²	23	26.6 Å²	26.6	19%	0.19	17%	0.167	C	C	.	.	H	α-helix	trans	-109.8	-20.9	-177.2	0	0	0	0	0	113.7	F436 E437 R442 P474	F436-A440 HydrophobicContact CD1-CB 3.67Å; F436-A440 HydrophobicContact CE1-CB 3.41Å; F436-A440 VanDerWaalsContact CE1-CB 3.41Å; F436-A440 HydrophobicContact CG-CB 4.43Å; F436-A440 HydrophobicContact CZ-CB 4Å; F436-A440 WeakPolarHBondContact O-CA 3.37Å; F436-A440 WeakPolarHBondContact O-CB 3.48Å; F436-A440 PolarHBondContact O-N 3.15Å; E437-A440 PolarHBondContact O-N 2.93Å; A440-R442 HydrophobicContact CB-CG 4.46Å; A440-P474 HydrophobicContact CB-CG 4.07Å
441	G	94.6	Very high	85.2	Confident	36 Å²	36	33.9 Å²	33.9	37%	0.371	21%	0.205	S	C	.	.	S	Bend	trans	74.8	21.6	-176.9	0	0	0	0	0	115.1	R340 E437	R340-G441 WeakPolarHBondContact O-CA 3.48Å; E437-G441 WeakPolarHBondContact O-CA 3.15Å; E437-G441 PolarHBondContact O-N 2.92Å
442	R	92.7	Very high	83	Confident	114 Å²	114	42.6 Å²	42.6	43%	0.43	25%	0.246	S	C	.	.	S	Bend	trans	-168.4	165	-178.1	69	177.2	-176.1	-153.8	0.4	111	F436 E437 A440 D446 V448	F436-R442 WeakPolarHBondContact CD1-O 3.38Å; E437-R442 WeakPolarHBondContact CA-O 3.49Å; A440-R442 HydrophobicContact CB-CG 4.46Å; R442-D446 WeakPolarHBondContact CB-OD2 3.08Å; R442-V448 VanDerWaalsContact NH1-CG2 3.35Å
443	S	92.9	Very high	80.8	Confident	7 Å²	7	46.8 Å²	46.8	5%	0.049	27%	0.268	C	S	.	.			trans	-65.6	146.3	176.8	161.9	0	0	0	0	111.7	F445 D446	S443-F445 PolarHBondContact O-N 2.86Å; S443-F445 PolarHBondContact OG-N 3.29Å; S443-D446 WeakPolarHBondContact CB-OD2 3.21Å; S443-D446 PolarHBondContact N-OD2 2.92Å; S443-D446 PolarHBondContact O-N 3.4Å
444	P	93.1	Very high	78.7	Confident	15 Å²	15	51.7 Å²	51.7	10%	0.097	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.9	171.1	24.7	-31.5	0	0	0	113.7	V433 F436 I471	V433-P444 HydrophobicContact CB-CG 4.47Å; V433-P444 HydrophobicContact CG1-CG 3.99Å; V433-P444 HydrophobicContact CG2-CG 4.34Å; F436-P444 HydrophobicContact CB-CB 4.3Å; F436-P444 HydrophobicContact CB-CG 4.28Å; F436-P444 HydrophobicContact CD1-CB 3.69Å; F436-P444 HydrophobicContact CD1-CG 4.14Å; F436-P444 HydrophobicContact CD2-CB 3.91Å; F436-P444 VanDerWaalsContact CE1-CA 3.43Å; F436-P444 HydrophobicContact CE1-CB 3.9Å; F436-P444 HydrophobicContact CE2-CB 4.1Å; F436-P444 HydrophobicContact CG-CB 3.71Å; F436-P444 HydrophobicContact CG-CG 4.17Å; F436-P444 HydrophobicContact CZ-CB 4.1Å; P444-I471 HydrophobicContact CB-CD1 4.45Å; P444-I471 HydrophobicContact CB-CG1 4.48Å; P444-I471 HydrophobicContact CB-CG2 3.79Å
445	F	90.4	Very high	76.5	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.035	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-14.5	-178.4	-49.7	-57.2	0	0	0	113.1	N410 W429 V433 S443 I447 L462 V465 I466 I471	N410-F445 VanDerWaalsContact O-CE2 3.25Å; N410-F445 WeakPolarHBondContact O-CE2 3.5Å; W429-F445 HydrophobicContact CH2-CZ 4.44Å; W429-F445 HydrophobicContact CZ2-CE1 4.24Å; W429-F445 AromaticContact CZ2-CZ 3.65Å; W429-F445 HydrophobicContact CZ2-CZ 3.65Å; V433-F445 HydrophobicContact CG1-CE2 4.35Å; V433-F445 HydrophobicContact CG2-CE2 3.93Å; V433-F445 HydrophobicContact CG2-CZ 4.13Å; S443-F445 PolarHBondContact O-N 2.86Å; S443-F445 PolarHBondContact OG-N 3.29Å; F445-I447 WeakPolarHBondContact O-CG1 3.13Å; F445-I447 PolarHBondContact O-N 2.82Å; F445-L462 HydrophobicContact CB-CD1 3.64Å; F445-L462 HydrophobicContact CD2-CD1 4.27Å; F445-L462 HydrophobicContact CG-CD1 4.14Å; F445-V465 HydrophobicContact CB-CG1 3.89Å; F445-V465 HydrophobicContact CD1-CG1 4.07Å; F445-V465 HydrophobicContact CG-CG1 4.41Å; F445-I466 HydrophobicContact CD1-CG1 3.78Å; F445-I466 HydrophobicContact CD2-CD1 4.26Å; F445-I466 HydrophobicContact CD2-CG1 3.81Å; F445-I466 HydrophobicContact CE1-CB 4.38Å; F445-I466 HydrophobicContact CE1-CG1 3.8Å; F445-I466 HydrophobicContact CE2-CD1 4.29Å; F445-I466 HydrophobicContact CE2-CG1 3.84Å; F445-I466 HydrophobicContact CG-CG1 3.81Å; F445-I466 HydrophobicContact CZ-CG1 3.86Å; F445-I471 HydrophobicContact CE1-CD1 3.75Å; F445-I471 HydrophobicContact CE1-CG1 4.01Å; F445-I471 HydrophobicContact CZ-CD1 4.19Å
446	D	80.8	Confident	74.3	Confident	86 Å²	86	60.2 Å²	60.2	46%	0.46	34%	0.344	S	S	.	.			trans	-55.9	122.2	176.7	-71.5	-23.8	0	0	0	111.9	R442 S443	R442-D446 WeakPolarHBondContact CB-OD2 3.08Å; S443-D446 WeakPolarHBondContact CB-OD2 3.21Å; S443-D446 PolarHBondContact N-OD2 2.92Å; S443-D446 PolarHBondContact O-N 3.4Å
447	I	64.2	Low	72.3	Confident	41 Å²	41	66.4 Å²	66.4	21%	0.21	38%	0.377	C	S	.	.			trans	-93.1	107.2	178.9	-47.6	-162.5	0	0	0	109.2	F445 G449 S450 Y461 V465 K469	F445-I447 WeakPolarHBondContact O-CG1 3.13Å; F445-I447 PolarHBondContact O-N 2.82Å; I447-G449 PolarHBondContact O-N 3.42Å; I447-S450 PolarHBondContact O-N 3.41Å; I447-S450 PolarHBondContact O-OG 2.91Å; I447-Y461 HydrophobicContact CD1-CE1 3.55Å; I447-Y461 WeakPolarHBondContact CD1-OH 3.45Å; I447-V465 HydrophobicContact CD1-CG2 4.02Å; I447-K469 VanDerWaalsContact CD1-NZ 3.28Å
448	V	50	Low	71.2	Confident	115 Å²	115	68.8 Å²	68.8	70%	0.697	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	107.2	170.5	-177	0	0	0	0	109.2	R442	R442-V448 VanDerWaalsContact NH1-CG2 3.35Å
449	G	49.6	Very low	70.2	Confident	65 Å²	65	74.7 Å²	74.7	67%	0.67	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.1	7.4	178.9	0	0	0	0	0	116.6	I447 N451	I447-G449 PolarHBondContact O-N 3.42Å; G449-N451 PolarHBondContact O-N 3.47Å
450	S	48.9	Very low	69.1	Low	21 Å²	21	81 Å²	81	15%	0.147	45%	0.454	C	S	.	.			trans	-79	-5	-177.2	50.4	0	0	0	0	116.5	I447 E452 N453	I447-S450 PolarHBondContact O-N 3.41Å; I447-S450 PolarHBondContact O-OG 2.91Å; S450-E452 PolarHBondContact O-N 2.98Å; S450-N453 PolarHBondContact O-N 3.38Å
451	N	51.2	Low	68.4	Low	158 Å²	158	83 Å²	83	85%	0.845	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-0.7	-172.9	-69.3	16.1	0	0	0	115.4	G449	G449-N451 PolarHBondContact O-N 3.47Å
452	E	52.7	Low	68	Low	183 Å²	183	82.9 Å²	82.9	86%	0.855	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-3.3	-176.7	-62.4	-174.3	170.4	0	0	114.1	S450	S450-E452 PolarHBondContact O-N 2.98Å
453	N	52.8	Low	67.7	Low	89 Å²	89	78.8 Å²	78.8	48%	0.476	43%	0.433	S	S	.	.			trans	-139.4	112.6	-175.7	-122.6	-22.9	0	0	0	113.3	S450 D455 Q456	S450-N453 PolarHBondContact O-N 3.38Å; N453-D455 VanDerWaalsContact C-N 3.32Å; N453-D455 PolarHBondContact O-N 3.34Å; N453-Q456 HydrophobicContact CB-CG 4.2Å; N453-Q456 PolarHBondContact O-N 2.92Å
454	P	53.2	Low	67.3	Low	102 Å²	102	82.9 Å²	82.9	66%	0.662	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35.4	-174.6	-27.8	35.5	0	0	0	115.5	Q456 N457	P454-Q456 PolarHBondContact O-N 3.4Å; P454-Q456 VanDerWaalsContact O-N 3.1Å; P454-N457 PolarHBondContact O-N 2.99Å; P454-N457 VanDerWaalsContact O-N 3.14Å
455	D	53.5	Low	67.1	Low	122 Å²	122	82.6 Å²	82.6	65%	0.652	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-61	-21.2	-179	-68.9	-25.9	0	0	0	113.6	N453 N457 T458	N453-D455 VanDerWaalsContact C-N 3.32Å; N453-D455 PolarHBondContact O-N 3.34Å; D455-N457 VanDerWaalsContact C-N 3.26Å; D455-N457 PolarHBondContact O-N 2.72Å; D455-T458 PolarHBondContact O-OG1 3.5Å
456	Q	52.8	Low	67.2	Low	57 Å²	57	82.2 Å²	82.2	27%	0.266	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-77.3	-8.7	-179.5	-62.8	-179.7	28.2	0	0	113.5	N453 P454 T458 Y461	N453-Q456 HydrophobicContact CB-CG 4.2Å; N453-Q456 PolarHBondContact O-N 2.92Å; P454-Q456 PolarHBondContact O-N 3.4Å; P454-Q456 VanDerWaalsContact O-N 3.1Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; Q456-Y461 HydrophobicContact CB-CD1 4.02Å; Q456-Y461 HydrophobicContact CB-CE1 3.91Å; Q456-Y461 HydrophobicContact CG-CD1 4.43Å; Q456-Y461 HydrophobicContact CG-CE1 4.06Å; Q456-Y461 HydrophobicContact CG-CE2 4.42Å; Q456-Y461 VanDerWaalsContact O-CD1 3.22Å; Q456-Y461 WeakPolarHBondContact O-CD1 3.45Å
457	N	56.4	Low	67.5	Low	135 Å²	135	80.4 Å²	80.4	72%	0.722	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-93.1	16	176.1	-70.8	-10.3	0	0	0	113.2	P454 D455	P454-N457 PolarHBondContact O-N 2.99Å; P454-N457 VanDerWaalsContact O-N 3.14Å; D455-N457 VanDerWaalsContact C-N 3.26Å; D455-N457 PolarHBondContact O-N 2.72Å
458	T	72.8	Confident	68.6	Low	68 Å²	68	85.3 Å²	85.3	42%	0.417	46%	0.46	S	S	.	.	S	Bend	trans	-92.5	146.5	179.6	59.1	0	0	0	0	112.4	D455 Q456 D460 Y461 L462	D455-T458 PolarHBondContact O-OG1 3.5Å; Q456-T458 VanDerWaalsContact C-N 3.33Å; T458-D460 VanDerWaalsContact C-N 3.26Å; T458-D460 PolarHBondContact O-N 2.71Å; T458-Y461 WeakPolarHBondContact O-CB 3.16Å; T458-Y461 PolarHBondContact O-N 3.02Å; T458-Y461 VanDerWaalsContact O-N 3.1Å; T458-Y461 WeakPolarHBondContact OG1-CB 3.48Å; T458-Y461 PolarHBondContact OG1-N 3.17Å; T458-L462 PolarHBondContact O-N 2.73Å; T458-L462 VanDerWaalsContact O-N 3.09Å
459	E	77.4	Confident	70.4	Confident	123 Å²	123	83.7 Å²	83.7	58%	0.575	44%	0.444	S	S	*	.	H	α-helix	trans	-58	-39.2	173.7	-64.8	-177	154.4	0	0	111.8	Y461 L462 F463	E459-Y461 VanDerWaalsContact C-N 3.27Å; E459-Y461 PolarHBondContact O-N 3.09Å; E459-L462 WeakPolarHBondContact O-CB 3.03Å; E459-L462 PolarHBondContact O-N 3.34Å; E459-F463 HydrophobicContact CB-CD2 4.49Å; E459-F463 HydrophobicContact CB-CE2 3.86Å; E459-F463 HydrophobicContact CB-CZ 3.97Å; E459-F463 WeakPolarHBondContact O-CD2 3.15Å; E459-F463 WeakPolarHBondContact O-CG 3.33Å; E459-F463 PolarHBondContact O-N 2.7Å
460	D	76.3	Confident	72.2	Confident	132 Å²	132	88.4 Å²	88.4	71%	0.706	45%	0.448	S	S	*	.	H	α-helix	trans	-58.4	-38.3	176	-78.9	-37	0	0	0	111.8	T458 Q464	T458-D460 VanDerWaalsContact C-N 3.26Å; T458-D460 PolarHBondContact O-N 2.71Å; D460-Q464 PolarHBondContact O-N 2.96Å
461	Y	80.8	Confident	74.3	Confident	67 Å²	67	88.8 Å²	88.8	26%	0.263	45%	0.448	S	S	.	.	H	α-helix	trans	-70	-43.4	174.8	-175.5	-104.6	0	0	0	112.2	I447 Q456 T458 E459 F463 Q464 V465	I447-Y461 HydrophobicContact CD1-CE1 3.55Å; I447-Y461 WeakPolarHBondContact CD1-OH 3.45Å; Q456-Y461 HydrophobicContact CB-CD1 4.02Å; Q456-Y461 HydrophobicContact CB-CE1 3.91Å; Q456-Y461 HydrophobicContact CG-CD1 4.43Å; Q456-Y461 HydrophobicContact CG-CE1 4.06Å; Q456-Y461 HydrophobicContact CG-CE2 4.42Å; Q456-Y461 VanDerWaalsContact O-CD1 3.22Å; Q456-Y461 WeakPolarHBondContact O-CD1 3.45Å; T458-Y461 WeakPolarHBondContact O-CB 3.16Å; T458-Y461 PolarHBondContact O-N 3.02Å; T458-Y461 VanDerWaalsContact O-N 3.1Å; T458-Y461 WeakPolarHBondContact OG1-CB 3.48Å; T458-Y461 PolarHBondContact OG1-N 3.17Å; E459-Y461 VanDerWaalsContact C-N 3.27Å; E459-Y461 PolarHBondContact O-N 3.09Å; Y461-F463 VanDerWaalsContact C-N 3.31Å; Y461-F463 PolarHBondContact O-N 2.79Å; Y461-Q464 WeakPolarHBondContact O-CB 3.5Å; Y461-Q464 PolarHBondContact O-N 2.85Å; Y461-V465 HydrophobicContact CD1-CG2 4.15Å; Y461-V465 HydrophobicContact CE1-CG2 3.79Å; Y461-V465 WeakPolarHBondContact O-CG2 3.35Å; Y461-V465 PolarHBondContact O-N 2.88Å
462	L	85.4	Confident	76.2	Confident	32 Å²	32	91.2 Å²	91.2	17%	0.168	45%	0.446	C	S	.	.	H	α-helix	trans	-57.2	-45	173.3	172.7	62	0	0	0	111.2	P409 N410 F445 T458 E459 Q464 V465 I466	P409-L462 HydrophobicContact CB-CD2 3.94Å; N410-L462 WeakPolarHBondContact OD1-CD2 3.33Å; F445-L462 HydrophobicContact CB-CD1 3.64Å; F445-L462 HydrophobicContact CD2-CD1 4.27Å; F445-L462 HydrophobicContact CG-CD1 4.14Å; T458-L462 PolarHBondContact O-N 2.73Å; T458-L462 VanDerWaalsContact O-N 3.09Å; E459-L462 WeakPolarHBondContact O-CB 3.03Å; E459-L462 PolarHBondContact O-N 3.34Å; L462-Q464 VanDerWaalsContact C-N 3.34Å; L462-Q464 PolarHBondContact O-N 3.27Å; L462-V465 WeakPolarHBondContact O-CB 3.23Å; L462-V465 PolarHBondContact O-N 3.11Å; L462-V465 VanDerWaalsContact O-N 3.13Å; L462-I466 HydrophobicContact CD1-CD1 4.01Å; L462-I466 HydrophobicContact CD1-CG1 4.23Å; L462-I466 HydrophobicContact CG-CD1 3.93Å; L462-I466 WeakPolarHBondContact O-CG1 3.19Å; L462-I466 PolarHBondContact O-N 3.06Å
463	F	87.3	Confident	78.2	Confident	29 Å²	29	84.1 Å²	84.1	13%	0.127	41%	0.413	C	S	.	.	H	α-helix	trans	-62.8	-39.6	176.9	-59.8	-28.3	0	0	0	112	F405 P409 I412 L417 E459 Y461 I466 L467	F405-F463 HydrophobicContact CZ-CE2 4.44Å; F405-F463 HydrophobicContact CZ-CZ 4.43Å; P409-F463 HydrophobicContact CB-CE1 3.98Å; P409-F463 HydrophobicContact CB-CZ 4.36Å; I412-F463 HydrophobicContact CD1-CE1 4.06Å; I412-F463 HydrophobicContact CD1-CZ 4.41Å; L417-F463 HydrophobicContact CD1-CB 3.98Å; L417-F463 HydrophobicContact CD1-CD1 4.03Å; L417-F463 HydrophobicContact CD1-CG 4.31Å; L417-F463 HydrophobicContact CD2-CB 4.11Å; L417-F463 HydrophobicContact CD2-CD1 3.48Å; L417-F463 VanDerWaalsContact CD2-CD1 3.48Å; L417-F463 HydrophobicContact CD2-CD2 4.32Å; L417-F463 HydrophobicContact CD2-CE1 3.94Å; L417-F463 HydrophobicContact CD2-CG 3.71Å; L417-F463 HydrophobicContact CG-CD1 4.43Å; E459-F463 HydrophobicContact CB-CD2 4.49Å; E459-F463 HydrophobicContact CB-CE2 3.86Å; E459-F463 HydrophobicContact CB-CZ 3.97Å; E459-F463 WeakPolarHBondContact O-CD2 3.15Å; E459-F463 WeakPolarHBondContact O-CG 3.33Å; E459-F463 PolarHBondContact O-N 2.7Å; Y461-F463 VanDerWaalsContact C-N 3.31Å; Y461-F463 PolarHBondContact O-N 2.79Å; F463-I466 HydrophobicContact CD1-CD1 4.45Å; F463-I466 PolarHBondContact O-N 3.23Å; F463-L467 WeakPolarHBondContact O-CB 3.3Å; F463-L467 VanDerWaalsContact O-CG 3.29Å; F463-L467 WeakPolarHBondContact O-CG 3.4Å; F463-L467 PolarHBondContact O-N 3.37Å
464	Q	84.9	Confident	80.1	Confident	92 Å²	92	81.3 Å²	81.3	43%	0.43	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-41.9	172.2	-170.9	-179.2	-2.8	0	0	111.7	D460 Y461 L462 L467 E468	D460-Q464 PolarHBondContact O-N 2.96Å; Y461-Q464 WeakPolarHBondContact O-CB 3.5Å; Y461-Q464 PolarHBondContact O-N 2.85Å; L462-Q464 VanDerWaalsContact C-N 3.34Å; L462-Q464 PolarHBondContact O-N 3.27Å; Q464-L467 PolarHBondContact O-N 2.89Å; Q464-E468 HydrophobicContact CG-CG 4.19Å; Q464-E468 WeakPolarHBondContact CG-OE2 3.4Å; Q464-E468 PolarHBondContact NE2-OE2 2.95Å; Q464-E468 WeakPolarHBondContact O-CB 3.4Å; Q464-E468 PolarHBondContact O-N 3.23Å
465	V	88.6	Confident	82.1	Confident	10 Å²	10	88.8 Å²	88.8	6%	0.061	42%	0.415	C	S	.	.	H	α-helix	trans	-61.5	-46.3	175.8	169.3	0	0	0	0	111.3	F445 I447 Y461 L462 L467 K469	F445-V465 HydrophobicContact CB-CG1 3.89Å; F445-V465 HydrophobicContact CD1-CG1 4.07Å; F445-V465 HydrophobicContact CG-CG1 4.41Å; I447-V465 HydrophobicContact CD1-CG2 4.02Å; Y461-V465 HydrophobicContact CD1-CG2 4.15Å; Y461-V465 HydrophobicContact CE1-CG2 3.79Å; Y461-V465 WeakPolarHBondContact O-CG2 3.35Å; Y461-V465 PolarHBondContact O-N 2.88Å; L462-V465 WeakPolarHBondContact O-CB 3.23Å; L462-V465 PolarHBondContact O-N 3.11Å; L462-V465 VanDerWaalsContact O-N 3.13Å; V465-L467 VanDerWaalsContact C-N 3.3Å; V465-L467 PolarHBondContact O-N 2.91Å; V465-K469 HydrophobicContact CG1-CB 4.05Å; V465-K469 HydrophobicContact CG1-CD 3.83Å; V465-K469 VanDerWaalsContact O-CB 3.24Å; V465-K469 WeakPolarHBondContact O-CB 3.48Å; V465-K469 PolarHBondContact O-N 3.41Å
466	I	91.1	Very high	84	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-59.5	-40.3	176.4	-69.1	166.4	0	0	0	111.1	P409 P414 L417 W429 F445 L462 F463 K491	P409-I466 WeakPolarHBondContact O-CD1 3.46Å; P414-I466 HydrophobicContact CG-CG2 4.15Å; L417-I466 HydrophobicContact CD1-CB 3.71Å; L417-I466 HydrophobicContact CD1-CD1 4.17Å; L417-I466 HydrophobicContact CD1-CG2 3.46Å; L417-I466 VanDerWaalsContact CD1-CG2 3.46Å; W429-I466 HydrophobicContact CZ2-CG2 3.94Å; F445-I466 HydrophobicContact CD1-CG1 3.78Å; F445-I466 HydrophobicContact CD2-CD1 4.26Å; F445-I466 HydrophobicContact CD2-CG1 3.81Å; F445-I466 HydrophobicContact CE1-CB 4.38Å; F445-I466 HydrophobicContact CE1-CG1 3.8Å; F445-I466 HydrophobicContact CE2-CD1 4.29Å; F445-I466 HydrophobicContact CE2-CG1 3.84Å; F445-I466 HydrophobicContact CG-CG1 3.81Å; F445-I466 HydrophobicContact CZ-CG1 3.86Å; L462-I466 HydrophobicContact CD1-CD1 4.01Å; L462-I466 HydrophobicContact CD1-CG1 4.23Å; L462-I466 HydrophobicContact CG-CD1 3.93Å; L462-I466 WeakPolarHBondContact O-CG1 3.19Å; L462-I466 PolarHBondContact O-N 3.06Å; F463-I466 HydrophobicContact CD1-CD1 4.45Å; F463-I466 PolarHBondContact O-N 3.23Å; I466-K491 WeakPolarHBondContact O-CE 3.4Å; I466-K491 PolarHBondContact O-NZ 2.88Å
467	L	88.3	Confident	86.2	Confident	48 Å²	48	85.5 Å²	85.5	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-74.6	-50.7	179.3	-72.8	171.1	0	0	0	113.2	L158 P414 L417 R418 F463 Q464 V465 K491	L158-L467 HydrophobicContact CD1-CD1 3.94Å; P414-L467 HydrophobicContact CB-CD2 4.24Å; L417-L467 HydrophobicContact CB-CD1 4.16Å; L417-L467 HydrophobicContact CB-CD2 3.89Å; L417-L467 HydrophobicContact CB-CG 4.07Å; L417-L467 HydrophobicContact CD1-CG 4.16Å; R418-L467 HydrophobicContact CG-CD2 3.81Å; F463-L467 WeakPolarHBondContact O-CB 3.3Å; F463-L467 VanDerWaalsContact O-CG 3.29Å; F463-L467 WeakPolarHBondContact O-CG 3.4Å; F463-L467 PolarHBondContact O-N 3.37Å; Q464-L467 PolarHBondContact O-N 2.89Å; V465-L467 VanDerWaalsContact C-N 3.3Å; V465-L467 PolarHBondContact O-N 2.91Å; L467-K491 WeakPolarHBondContact O-CD 3.38Å; L467-K491 PolarHBondContact O-NZ 3.09Å
468	E	86.8	Confident	88.2	Confident	143 Å²	143	81.1 Å²	81.1	67%	0.668	39%	0.386	S	S	*	.	H	α-helix	trans	-100.1	-38.2	-164.5	-61.1	-179.4	171.5	0	0	113.5	Q464	Q464-E468 HydrophobicContact CG-CG 4.19Å; Q464-E468 WeakPolarHBondContact CG-OE2 3.4Å; Q464-E468 PolarHBondContact NE2-OE2 2.95Å; Q464-E468 WeakPolarHBondContact O-CB 3.4Å; Q464-E468 PolarHBondContact O-N 3.23Å
469	K	87.4	Confident	89.4	Confident	81 Å²	81	84.1 Å²	84.1	35%	0.352	41%	0.405	S	S	.	.	S	Bend	trans	-77.5	134.4	-168.7	-160.3	179.2	-173.9	-179.5	0	112.1	I447 V465 I471 K491	I447-K469 VanDerWaalsContact CD1-NZ 3.28Å; V465-K469 HydrophobicContact CG1-CB 4.05Å; V465-K469 HydrophobicContact CG1-CD 3.83Å; V465-K469 VanDerWaalsContact O-CB 3.24Å; V465-K469 WeakPolarHBondContact O-CB 3.48Å; V465-K469 PolarHBondContact O-N 3.41Å; K469-I471 PolarHBondContact O-N 3.29Å; K469-K491 WeakPolarHBondContact O-CE 3.17Å; K469-K491 PolarHBondContact O-NZ 3.23Å
470	Q	88.6	Confident	90.4	Very high	164 Å²	164	82.7 Å²	82.7	77%	0.766	40%	0.396	S	S	*	.	P	Polyproline II helix	trans	-74.5	124.9	171.7	-168.7	-178.2	31.9	0	0	110.5
471	I	91.5	Very high	91.4	Very high	30 Å²	30	76.4 Å²	76.4	15%	0.154	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.8	178.9	-61.5	165.7	0	0	0	109.7	W429 F436 P444 F445 K469 I473 L489	W429-I471 HydrophobicContact CH2-CD1 4.19Å; F436-I471 HydrophobicContact CD2-CG2 4.3Å; F436-I471 HydrophobicContact CE2-CG2 3.97Å; P444-I471 HydrophobicContact CB-CD1 4.45Å; P444-I471 HydrophobicContact CB-CG1 4.48Å; P444-I471 HydrophobicContact CB-CG2 3.79Å; F445-I471 HydrophobicContact CE1-CD1 3.75Å; F445-I471 HydrophobicContact CE1-CG1 4.01Å; F445-I471 HydrophobicContact CZ-CD1 4.19Å; K469-I471 PolarHBondContact O-N 3.29Å; I471-I473 HydrophobicContact CG2-CD1 4.28Å; I471-L489 HydrophobicContact CD1-CB 3.83Å; I471-L489 HydrophobicContact CD1-CD1 4.03Å; I471-L489 HydrophobicContact CD1-CD2 4.22Å; I471-L489 HydrophobicContact CD1-CG 4.25Å; I471-L489 HydrophobicContact CG2-CD1 4.32Å
472	R	91.8	Very high	92.3	Very high	208 Å²	208	74.1 Å²	74.1	79%	0.785	36%	0.358	S	S	*	.			trans	-104.6	101.3	-176.7	-66.3	-177.7	-179.1	173.6	0.4	110.3
473	I	94.3	Very high	92.9	Very high	34 Å²	34	75 Å²	75	17%	0.174	37%	0.366	C	S	.	.			trans	-63.4	130.8	175.7	-49	-54.2	0	0	0	110.2	F436 I471 L477 A482 L485 K486	F436-I473 HydrophobicContact CD2-CD1 4.15Å; F436-I473 HydrophobicContact CE2-CD1 4.06Å; I471-I473 HydrophobicContact CG2-CD1 4.28Å; I473-L477 HydrophobicContact CG2-CB 4.37Å; I473-L477 HydrophobicContact CG2-CD1 3.96Å; I473-A482 HydrophobicContact CG2-CB 3.83Å; I473-L485 HydrophobicContact CD1-CB 3.79Å; I473-L485 HydrophobicContact CD1-CD1 4.1Å; I473-L485 HydrophobicContact CG2-CD1 4.29Å; I473-K486 HydrophobicContact CG1-CG 4.37Å
474	P	94.1	Very high	93.5	Very high	31 Å²	31	73.6 Å²	73.6	20%	0.201	36%	0.36	C	S	.	.			trans	-59.9	137.1	175.8	-23.5	33.3	0	0	0	112.7	F436 A440 S476 L477	F436-P474 HydrophobicContact CZ-CG 4.37Å; A440-P474 HydrophobicContact CB-CG 4.07Å; P474-S476 PolarHBondContact O-N 2.72Å; P474-S476 VanDerWaalsContact O-N 3.09Å; P474-L477 HydrophobicContact CB-CG 4.36Å; P474-L477 HydrophobicContact CG-CD1 4.49Å; P474-L477 PolarHBondContact O-N 2.77Å; P474-L477 VanDerWaalsContact O-N 3.11Å
475	R	93.4	Very high	94.1	Very high	258 Å²	258	69.2 Å²	69.2	97%	0.974	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.9	178	-65	-176.4	-177.9	173.8	0.5	114.4	L477	R475-L477 VanDerWaalsContact C-N 3.33Å
476	S	95.2	Very high	94.6	Very high	94 Å²	94	75.5 Å²	75.5	66%	0.657	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.9	176.2	49.1	0	0	0	0	113.7	P474	P474-S476 PolarHBondContact O-N 2.72Å; P474-S476 VanDerWaalsContact O-N 3.09Å
477	L	97.4	Very high	94.9	Very high	17 Å²	17	76.3 Å²	76.3	9%	0.089	38%	0.375	C	S	.	.	S	Bend	trans	-88.7	147.9	173.1	-59.5	-171.6	0	0	0	111.3	E344 M439 I473 P474 R475 A481 L485	E344-L477 WeakPolarHBondContact OE1-CA 3.48Å; M439-L477 HydrophobicContact CB-CD1 4.03Å; M439-L477 HydrophobicContact CB-CD2 3.96Å; M439-L477 WeakPolarHBondContact O-CD2 3.48Å; I473-L477 HydrophobicContact CG2-CB 4.37Å; I473-L477 HydrophobicContact CG2-CD1 3.96Å; P474-L477 HydrophobicContact CB-CG 4.36Å; P474-L477 HydrophobicContact CG-CD1 4.49Å; P474-L477 PolarHBondContact O-N 2.77Å; P474-L477 VanDerWaalsContact O-N 3.11Å; R475-L477 VanDerWaalsContact C-N 3.33Å; L477-A481 HydrophobicContact CB-CB 4.1Å; L477-L485 HydrophobicContact CD1-CD1 3.73Å
478	S	98.3	Very high	95.4	Very high	42 Å²	42	74 Å²	74	29%	0.294	36%	0.363	S	S	.	.			trans	-63.5	158.7	176.9	78.6	0	0	0	0	111.7	E344 K480 A481 A482	E344-S478 WeakPolarHBondContact OE1-CB 3.4Å; E344-S478 PolarHBondContact OE1-N 2.82Å; E344-S478 PolarHBondContact OE1-OG 2.79Å; E344-S478 VanDerWaalsContact OE2-CB 3.24Å; E344-S478 WeakPolarHBondContact OE2-CB 3.24Å; E344-S478 PolarHBondContact OE2-OG 3.4Å; S478-K480 PolarHBondContact O-N 2.87Å; S478-K480 PolarHBondContact OG-N 3.29Å; S478-A481 PolarHBondContact O-N 3.18Å; S478-A481 PolarHBondContact OG-N 2.98Å; S478-A481 VanDerWaalsContact OG-N 3.1Å; S478-A482 WeakPolarHBondContact O-CB 3.33Å; S478-A482 PolarHBondContact O-N 3.1Å
479	V	98.3	Very high	96	Very high	132 Å²	132	67.9 Å²	67.9	80%	0.8	34%	0.335	S	S	*	.	H	α-helix	trans	-57.9	-31.3	174.7	-179	0	0	0	0	111.4	S483	V479-S483 VanDerWaalsContact O-CB 3.3Å; V479-S483 WeakPolarHBondContact O-CB 3.5Å; V479-S483 PolarHBondContact O-N 3.4Å
480	K	98.3	Very high	96.5	Very high	92 Å²	92	66.7 Å²	66.7	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-70	-49.2	177.2	-63.8	175	171.4	-168.3	0	111.5	S478 A482 S483 V484 H511 P512 F513	S478-K480 PolarHBondContact O-N 2.87Å; S478-K480 PolarHBondContact OG-N 3.29Å; K480-A482 VanDerWaalsContact C-N 3.34Å; K480-A482 PolarHBondContact O-N 3.13Å; K480-S483 WeakPolarHBondContact O-CB 3.43Å; K480-S483 PolarHBondContact O-N 3.45Å; K480-S483 VanDerWaalsContact O-N 3.14Å; K480-V484 PolarHBondContact O-N 2.85Å; K480-H511 PolarHBondContact O-CE1 3.42Å; K480-P512 WeakPolarHBondContact CD-O 3.38Å; K480-P512 HydrophobicContact CG-CB 4.47Å; K480-F513 HydrophobicContact CB-CB 4.33Å; K480-F513 HydrophobicContact CB-CD2 4.26Å
481	A	98.6	Very high	96.9	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-42.8	174.9	0	0	0	0	0	111.6	E344 M439 L477 S478 S483 V484 L485 F513	E344-A481 HydrophobicContact CG-CB 4.34Å; E344-A481 WeakPolarHBondContact OE2-CB 3.18Å; M439-A481 HydrophobicContact CE-CB 4.4Å; M439-A481 HydrophobicContact SD-CB 3.77Å; L477-A481 HydrophobicContact CB-CB 4.1Å; S478-A481 PolarHBondContact O-N 3.18Å; S478-A481 PolarHBondContact OG-N 2.98Å; S478-A481 VanDerWaalsContact OG-N 3.1Å; A481-S483 VanDerWaalsContact C-N 3.26Å; A481-S483 PolarHBondContact O-N 3.33Å; A481-V484 WeakPolarHBondContact O-CG1 3.35Å; A481-V484 PolarHBondContact O-N 3.35Å; A481-L485 WeakPolarHBondContact O-CB 3.41Å; A481-L485 VanDerWaalsContact O-CG 3.24Å; A481-L485 WeakPolarHBondContact O-CG 3.32Å; A481-L485 PolarHBondContact O-N 3.09Å; A481-F513 HydrophobicContact CB-CD2 4.17Å; A481-F513 HydrophobicContact CB-CE2 3.94Å
482	A	98.4	Very high	97.2	Very high	20 Å²	20	63.2 Å²	63.2	17%	0.165	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-29.3	175	0	0	0	0	0	113.4	I473 S478 K480 K486	I473-A482 HydrophobicContact CG2-CB 3.83Å; S478-A482 WeakPolarHBondContact O-CB 3.33Å; S478-A482 PolarHBondContact O-N 3.1Å; K480-A482 VanDerWaalsContact C-N 3.34Å; K480-A482 PolarHBondContact O-N 3.13Å; A482-K486 WeakPolarHBondContact O-CB 3.37Å; A482-K486 WeakPolarHBondContact O-CD 3.44Å; A482-K486 WeakPolarHBondContact O-CG 3.29Å; A482-K486 PolarHBondContact O-N 2.61Å
483	S	98.6	Very high	97.4	Very high	49 Å²	49	54.4 Å²	54.4	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-74	-48.4	174.9	177.7	0	0	0	0	111.9	V479 K480 A481 L485 K486 G487 H511	V479-S483 VanDerWaalsContact O-CB 3.3Å; V479-S483 WeakPolarHBondContact O-CB 3.5Å; V479-S483 PolarHBondContact O-N 3.4Å; K480-S483 WeakPolarHBondContact O-CB 3.43Å; K480-S483 PolarHBondContact O-N 3.45Å; K480-S483 VanDerWaalsContact O-N 3.14Å; A481-S483 VanDerWaalsContact C-N 3.26Å; A481-S483 PolarHBondContact O-N 3.33Å; S483-L485 PolarHBondContact O-N 2.84Å; S483-K486 PolarHBondContact O-N 2.9Å; S483-G487 PolarHBondContact O-N 3.1Å; S483-H511 VanDerWaalsContact C-CE1 3.43Å; S483-H511 WeakPolarHBondContact CB-CE1 3.13Å; S483-H511 VanDerWaalsContact CB-NE2 3.26Å; S483-H511 WeakPolarHBondContact CB-NE2 3.45Å; S483-H511 PolarHBondContact O-NE2 3.39Å; S483-H511 PolarHBondContact OG-CE1 3.05Å; S483-H511 PolarHBondContact OG-NE2 2.88Å
484	V	98.8	Very high	97.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65	-41.7	-178.2	77.2	0	0	0	0	111.4	M435 K480 A481 K486 G487 F488 L497 H511 F513 F514	M435-V484 HydrophobicContact CE-CG1 3.6Å; M435-V484 HydrophobicContact CE-CG2 4.15Å; K480-V484 PolarHBondContact O-N 2.85Å; A481-V484 WeakPolarHBondContact O-CG1 3.35Å; A481-V484 PolarHBondContact O-N 3.35Å; V484-K486 VanDerWaalsContact C-N 3.35Å; V484-K486 PolarHBondContact O-N 2.69Å; V484-G487 PolarHBondContact O-N 3.24Å; V484-G487 VanDerWaalsContact O-N 3.09Å; V484-F488 HydrophobicContact CG2-CD2 3.85Å; V484-F488 HydrophobicContact CG2-CE2 3.62Å; V484-F488 PolarHBondContact O-N 3.42Å; V484-L497 HydrophobicContact CG2-CD2 3.83Å; V484-H511 VanDerWaalsContact CA-CE1 3.41Å; V484-H511 WeakPolarHBondContact CA-CE1 3.21Å; V484-H511 VanDerWaalsContact CB-CE1 3.4Å; V484-H511 WeakPolarHBondContact CB-CE1 3.29Å; V484-H511 PolarHBondContact N-CE1 3.19Å; V484-H511 PolarHBondContact N-NE2 3.3Å; V484-F513 HydrophobicContact CB-CB 3.85Å; V484-F513 HydrophobicContact CB-CD1 4.34Å; V484-F513 HydrophobicContact CB-CG 4.1Å; V484-F513 HydrophobicContact CG1-CB 4Å; V484-F513 HydrophobicContact CG1-CD1 3.84Å; V484-F513 HydrophobicContact CG1-CD2 4.05Å; V484-F513 HydrophobicContact CG1-CE1 4.29Å; V484-F513 HydrophobicContact CG1-CE2 4.5Å; V484-F513 HydrophobicContact CG1-CG 3.69Å; V484-F513 HydrophobicContact CG2-CB 4.27Å; V484-F513 HydrophobicContact CG2-CD1 4.33Å; V484-F514 HydrophobicContact CG2-CE2 3.82Å
485	L	98.8	Very high	97.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-40.7	176.3	-70.2	174.8	0	0	0	112.1	M435 F436 M439 I473 L477 A481 S483 G487 L489	M435-L485 HydrophobicContact CB-CD2 3.7Å; F436-L485 HydrophobicContact CB-CD2 3.97Å; F436-L485 HydrophobicContact CD2-CD1 4.1Å; M439-L485 HydrophobicContact CE-CD1 3.92Å; M439-L485 HydrophobicContact CE-CD2 3.82Å; M439-L485 HydrophobicContact CE-CG 3.88Å; I473-L485 HydrophobicContact CD1-CB 3.79Å; I473-L485 HydrophobicContact CD1-CD1 4.1Å; I473-L485 HydrophobicContact CG2-CD1 4.29Å; L477-L485 HydrophobicContact CD1-CD1 3.73Å; A481-L485 WeakPolarHBondContact O-CB 3.41Å; A481-L485 VanDerWaalsContact O-CG 3.24Å; A481-L485 WeakPolarHBondContact O-CG 3.32Å; A481-L485 PolarHBondContact O-N 3.09Å; S483-L485 PolarHBondContact O-N 2.84Å; L485-G487 VanDerWaalsContact C-N 3.31Å; L485-G487 PolarHBondContact O-N 2.96Å; L485-L489 HydrophobicContact CB-CD1 4.48Å; L485-L489 WeakPolarHBondContact O-CB 3.4Å; L485-L489 WeakPolarHBondContact O-CG 3.46Å; L485-L489 PolarHBondContact O-N 2.83Å
486	K	98.1	Very high	97.8	Very high	142 Å²	142	53.5 Å²	53.5	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-67	-31.7	174.7	-75.7	173.2	-177	-179.3	0	112.9	I473 A482 S483 V484 N490	I473-K486 HydrophobicContact CG1-CG 4.37Å; A482-K486 WeakPolarHBondContact O-CB 3.37Å; A482-K486 WeakPolarHBondContact O-CD 3.44Å; A482-K486 WeakPolarHBondContact O-CG 3.29Å; A482-K486 PolarHBondContact O-N 2.61Å; S483-K486 PolarHBondContact O-N 2.9Å; V484-K486 VanDerWaalsContact C-N 3.35Å; V484-K486 PolarHBondContact O-N 2.69Å; K486-N490 PolarHBondContact O-N 2.76Å
487	G	98.4	Very high	98	Very high	18 Å²	18	50.1 Å²	50.1	19%	0.186	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-52	176.6	0	0	0	0	0	112.2	S483 V484 L485 R496 L497	S483-G487 PolarHBondContact O-N 3.1Å; V484-G487 PolarHBondContact O-N 3.24Å; V484-G487 VanDerWaalsContact O-N 3.09Å; L485-G487 VanDerWaalsContact C-N 3.31Å; L485-G487 PolarHBondContact O-N 2.96Å; G487-R496 WeakPolarHBondContact O-CA 3.43Å; G487-R496 WeakPolarHBondContact O-CG 3.48Å; G487-L497 PolarHBondContact O-N 3.24Å
488	F	98.8	Very high	98	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-38.4	178.2	-73.2	-52.7	0	0	0	113.2	W428 L431 G432 M435 V484 N490 R496 L497 I508 F514	W428-F488 HydrophobicContact CB-CD1 4.08Å; W428-F488 HydrophobicContact CB-CE1 4.29Å; W428-F488 HydrophobicContact CD2-CE1 4.41Å; W428-F488 AromaticContact CE3-CE1 3.89Å; W428-F488 HydrophobicContact CE3-CE1 3.89Å; W428-F488 HydrophobicContact CE3-CZ 4.47Å; W428-F488 WeakPolarHBondContact O-CB 3.2Å; W428-F488 WeakPolarHBondContact O-CD1 3.49Å; L431-F488 HydrophobicContact CD2-CE1 4.2Å; L431-F488 HydrophobicContact CD2-CE2 4.06Å; L431-F488 HydrophobicContact CD2-CZ 3.76Å; L431-F488 HydrophobicContact CG-CE2 4.47Å; G432-F488 VanDerWaalsContact CA-CB 3.49Å; M435-F488 HydrophobicContact SD-CD2 3.72Å; M435-F488 HydrophobicContact SD-CE2 3.58Å; M435-F488 VanDerWaalsContact SD-CE2 3.58Å; V484-F488 HydrophobicContact CG2-CD2 3.85Å; V484-F488 HydrophobicContact CG2-CE2 3.62Å; V484-F488 PolarHBondContact O-N 3.42Å; F488-N490 PolarHBondContact O-N 2.89Å; F488-R496 WeakPolarHBondContact O-CD 3.48Å; F488-R496 VanDerWaalsContact O-CG 3.26Å; F488-R496 WeakPolarHBondContact O-CG 3.12Å; F488-R496 PolarHBondContact O-NE 2.8Å; F488-L497 HydrophobicContact CD1-CB 3.92Å; F488-L497 HydrophobicContact CD1-CD2 4.23Å; F488-L497 HydrophobicContact CD1-CG 4.24Å; F488-L497 HydrophobicContact CD2-CD2 4.19Å; F488-L497 HydrophobicContact CE1-CB 4.13Å; F488-L497 HydrophobicContact CE1-CD2 3.98Å; F488-L497 HydrophobicContact CE1-CG 3.96Å; F488-L497 HydrophobicContact CE2-CD2 3.94Å; F488-L497 HydrophobicContact CG-CB 4.42Å; F488-L497 HydrophobicContact CG-CD2 4.33Å; F488-L497 HydrophobicContact CZ-CD2 3.84Å; F488-L497 HydrophobicContact CZ-CG 4.26Å; F488-I508 HydrophobicContact CE1-CD1 3.77Å; F488-I508 HydrophobicContact CE1-CG1 3.92Å; F488-I508 HydrophobicContact CZ-CD1 3.96Å; F488-I508 HydrophobicContact CZ-CG1 3.9Å; F488-I508 HydrophobicContact CZ-CG2 4.13Å; F488-F514 HydrophobicContact CE2-CE2 4.28Å
489	L	98.5	Very high	97.9	Very high	14 Å²	14	49 Å²	49	7%	0.073	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	28.6	179.2	-58.8	167.1	0	0	0	112.9	W429 V433 F436 I471 L485	W429-L489 HydrophobicContact CD2-CD2 4.25Å; W429-L489 HydrophobicContact CE3-CD2 4.26Å; W429-L489 HydrophobicContact CH2-CD2 4.38Å; W429-L489 HydrophobicContact CZ2-CD2 4.36Å; W429-L489 HydrophobicContact CZ3-CB 4.25Å; W429-L489 HydrophobicContact CZ3-CD2 4.34Å; W429-L489 WeakPolarHBondContact CZ3-O 2.97Å; V433-L489 HydrophobicContact CG2-CD2 3.67Å; F436-L489 HydrophobicContact CB-CD1 4.36Å; F436-L489 HydrophobicContact CD2-CD1 4.37Å; I471-L489 HydrophobicContact CD1-CB 3.83Å; I471-L489 HydrophobicContact CD1-CD1 4.03Å; I471-L489 HydrophobicContact CD1-CD2 4.22Å; I471-L489 HydrophobicContact CD1-CG 4.25Å; I471-L489 HydrophobicContact CG2-CD1 4.32Å; L485-L489 HydrophobicContact CB-CD1 4.48Å; L485-L489 WeakPolarHBondContact O-CB 3.4Å; L485-L489 WeakPolarHBondContact O-CG 3.46Å; L485-L489 PolarHBondContact O-N 2.83Å
490	N	98.1	Very high	97.6	Very high	56 Å²	56	46.8 Å²	46.8	30%	0.299	24%	0.237	S	C	.	.			trans	-74.2	130	168.6	-162.6	-16.8	0	0	0	109.8	K486 F488 D492 E495 R496	K486-N490 PolarHBondContact O-N 2.76Å; F488-N490 PolarHBondContact O-N 2.89Å; N490-D492 PolarHBondContact OD1-N 3.28Å; N490-E495 WeakPolarHBondContact ND2-CB 3.43Å; N490-E495 PolarHBondContact ND2-O 3.32Å; N490-R496 HydrophobicContact CB-CB 4.2Å; N490-R496 HydrophobicContact CB-CG 4.49Å; N490-R496 PolarHBondContact O-NE 3.39Å; N490-R496 PolarHBondContact O-NH2 2.82Å
491	K	97.2	Very high	97	Very high	48 Å²	48	47.9 Å²	47.9	21%	0.209	25%	0.253	C	S	.	.	S	Bend	trans	-77.4	-22.3	-176.9	-57.6	-162.7	-173.1	-160.6	0	113.2	P414 R418 W429 I466 L467 K469 P493	P414-K491 HydrophobicContact CB-CB 4.37Å; P414-K491 HydrophobicContact CG-CB 4.17Å; P414-K491 HydrophobicContact CG-CG 4.16Å; R418-K491 PolarHBondContact NH2-O 2.84Å; R418-K491 VanDerWaalsContact NH2-O 3.11Å; W429-K491 HydrophobicContact CH2-CG 4.23Å; W429-K491 HydrophobicContact CZ3-CG 4.15Å; I466-K491 WeakPolarHBondContact O-CE 3.4Å; I466-K491 PolarHBondContact O-NZ 2.88Å; L467-K491 WeakPolarHBondContact O-CD 3.38Å; L467-K491 PolarHBondContact O-NZ 3.09Å; K469-K491 WeakPolarHBondContact O-CE 3.17Å; K469-K491 PolarHBondContact O-NZ 3.23Å; K491-P493 WeakPolarHBondContact O-CD 3.45Å
492	D	97.2	Very high	96.3	Very high	73 Å²	73	55 Å²	55	39%	0.39	29%	0.287	S	S	.	.	S	Bend	trans	-85	116.7	165.7	-168.3	-27.6	0	0	0	108.8	N490 K494 E495 R496	N490-D492 PolarHBondContact OD1-N 3.28Å; D492-K494 PolarHBondContact O-N 2.85Å; D492-K494 WeakPolarHBondContact OD1-CB 3.28Å; D492-K494 PolarHBondContact OD1-N 2.83Å; D492-E495 HydrophobicContact CB-CB 4.37Å; D492-E495 HydrophobicContact CB-CG 4.43Å; D492-E495 PolarHBondContact O-N 2.8Å; D492-R496 PolarHBondContact O-N 2.88Å
493	P	97.2	Very high	95.9	Very high	23 Å²	23	57.1 Å²	57.1	15%	0.149	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63.8	-20.9	178.2	25.9	-34.4	0	0	0	113.7	E415 K491 C499	E415-P493 HydrophobicContact CB-CG 4.46Å; K491-P493 WeakPolarHBondContact O-CD 3.45Å; P493-C499 WeakPolarHBondContact O-CB 3.18Å
494	K	95.5	Very high	95.5	Very high	160 Å²	160	55.4 Å²	55.4	70%	0.696	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-74.7	-30.9	179.2	-62.6	177.9	-179.1	177.8	0	112.9	D492	D492-K494 PolarHBondContact O-N 2.85Å; D492-K494 WeakPolarHBondContact OD1-CB 3.28Å; D492-K494 PolarHBondContact OD1-N 2.83Å
495	E	96.7	Very high	95.3	Very high	139 Å²	139	57.2 Å²	57.2	65%	0.65	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-98.7	10.7	179.8	-59.2	-65.2	142.8	0	0	111.5	N490 D492	N490-E495 WeakPolarHBondContact ND2-CB 3.43Å; N490-E495 PolarHBondContact ND2-O 3.32Å; D492-E495 HydrophobicContact CB-CB 4.37Å; D492-E495 HydrophobicContact CB-CG 4.43Å; D492-E495 PolarHBondContact O-N 2.8Å
496	R	98.3	Very high	95.2	Very high	5 Å²	5	59.3 Å²	59.3	2%	0.019	32%	0.317	C	S	.	.	S	Bend	trans	-87.4	138.1	-179.1	-171.8	179.5	-60.7	146.2	9	110.7	E415 S425 G487 F488 N490 D492 G498 C499	E415-R496 IonicContact OE1-CZ 4Å; E415-R496 IonicContact OE1-NH1 3.57Å; E415-R496 PolarHBondContact OE1-NH1 2.98Å; E415-R496 IonicContact OE1-NH2 2.63Å; E415-R496 IonicContact OE2-CZ 2.71Å; E415-R496 IonicContact OE2-NH1 3.95Å; E415-R496 PolarHBondContact OE2-NH1 2.83Å; E415-R496 IonicContact OE2-NH2 2.89Å; E415-R496 PolarHBondContact OE2-NH2 2.77Å; S425-R496 PolarHBondContact O-NH1 3.38Å; G487-R496 WeakPolarHBondContact O-CA 3.43Å; G487-R496 WeakPolarHBondContact O-CG 3.48Å; F488-R496 WeakPolarHBondContact O-CD 3.48Å; F488-R496 VanDerWaalsContact O-CG 3.26Å; F488-R496 WeakPolarHBondContact O-CG 3.12Å; F488-R496 PolarHBondContact O-NE 2.8Å; N490-R496 HydrophobicContact CB-CB 4.2Å; N490-R496 HydrophobicContact CB-CG 4.49Å; N490-R496 PolarHBondContact O-NE 3.39Å; N490-R496 PolarHBondContact O-NH2 2.82Å; D492-R496 PolarHBondContact O-N 2.88Å; R496-G498 PolarHBondContact O-N 2.85Å; R496-C499 HydrophobicContact CB-CB 4.21Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.13Å; R496-C499 PolarHBondContact O-N 2.98Å
497	L	98.5	Very high	95.2	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.12	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	136.1	174.9	-175.2	63.8	0	0	0	110.2	V484 G487 F488 C499 D507 I508	V484-L497 HydrophobicContact CG2-CD2 3.83Å; G487-L497 PolarHBondContact O-N 3.24Å; F488-L497 HydrophobicContact CD1-CB 3.92Å; F488-L497 HydrophobicContact CD1-CD2 4.23Å; F488-L497 HydrophobicContact CD1-CG 4.24Å; F488-L497 HydrophobicContact CD2-CD2 4.19Å; F488-L497 HydrophobicContact CE1-CB 4.13Å; F488-L497 HydrophobicContact CE1-CD2 3.98Å; F488-L497 HydrophobicContact CE1-CG 3.96Å; F488-L497 HydrophobicContact CE2-CD2 3.94Å; F488-L497 HydrophobicContact CG-CB 4.42Å; F488-L497 HydrophobicContact CG-CD2 4.33Å; F488-L497 HydrophobicContact CZ-CD2 3.84Å; F488-L497 HydrophobicContact CZ-CG 4.26Å; L497-C499 VanDerWaalsContact C-N 3.31Å; L497-D507 HydrophobicContact CD1-CB 3.84Å; L497-I508 HydrophobicContact CD1-CG1 4.44Å; L497-I508 HydrophobicContact CG-CG1 3.99Å
498	G	97.1	Very high	95.2	Very high	7 Å²	7	54.6 Å²	54.6	7%	0.072	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-12.8	-174.2	0	0	0	0	0	115.4	W428 R496 G504	W428-G498 PolarHBondContact NE1-O 3.45Å; R496-G498 PolarHBondContact O-N 2.85Å; G498-G504 WeakPolarHBondContact CA-O 3.39Å; G498-G504 WeakPolarHBondContact O-CA 3.11Å
499	C	96.6	Very high	95.1	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.196	31%	0.307	C	S	.	.			trans	-105.3	-2.8	-168.8	-54.8	0	0	0	0	114.9	S425 P493 R496 L497	S425-C499 VanDerWaalsContact CA-SG 3.57Å; P493-C499 WeakPolarHBondContact O-CB 3.18Å; R496-C499 HydrophobicContact CB-CB 4.21Å; R496-C499 VanDerWaalsContact O-CB 3.29Å; R496-C499 WeakPolarHBondContact O-CB 3.13Å; R496-C499 PolarHBondContact O-N 2.98Å; L497-C499 VanDerWaalsContact C-N 3.31Å
500	H	92.8	Very high	95.1	Very high	85 Å²	85	59.1 Å²	59.1	39%	0.394	33%	0.334	S	S	.	.			trans	-71.4	127.5	-179.8	-175	-102.4	0	0	0	111	Q502 T503 G504	H500-Q502 VanDerWaalsContact C-N 3.27Å; H500-Q502 PolarHBondContact CE1-OE1 3.03Å; H500-Q502 PolarHBondContact O-N 3.09Å; H500-T503 WeakPolarHBondContact CB-OG1 3.09Å; H500-T503 PolarHBondContact ND1-OG1 3.07Å; H500-T503 PolarHBondContact O-N 3.48Å; H500-G504 VanDerWaalsContact O-CA 3.31Å; H500-G504 WeakPolarHBondContact O-CA 3.4Å; H500-G504 PolarHBondContact O-N 2.8Å
501	P	85.8	Confident	95.1	Very high	114 Å²	114	57.7 Å²	57.7	74%	0.74	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.3	-165	-24.6	34.5	0	0	0	116.5
502	Q	83.6	Confident	95.1	Very high	151 Å²	151	58.7 Å²	58.7	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-19.5	-178.8	-66.3	77.9	20.2	0	0	114.1	H500	H500-Q502 VanDerWaalsContact C-N 3.27Å; H500-Q502 PolarHBondContact CE1-OE1 3.03Å; H500-Q502 PolarHBondContact O-N 3.09Å
503	T	89.6	Confident	95.2	Very high	63 Å²	63	55.3 Å²	55.3	39%	0.387	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-26.9	-171.8	49.1	0	0	0	0	113.1	H500 F505 G506 D507	H500-T503 WeakPolarHBondContact CB-OG1 3.09Å; H500-T503 PolarHBondContact ND1-OG1 3.07Å; H500-T503 PolarHBondContact O-N 3.48Å; T503-F505 PolarHBondContact O-N 2.9Å; T503-G506 WeakPolarHBondContact O-CA 3.39Å; T503-G506 PolarHBondContact O-N 2.9Å; T503-D507 WeakPolarHBondContact CB-OD1 3.5Å; T503-D507 VanDerWaalsContact CB-OD2 3.27Å; T503-D507 WeakPolarHBondContact CB-OD2 3.49Å; T503-D507 PolarHBondContact O-N 3.26Å; T503-D507 VanDerWaalsContact OG1-CG 3.27Å; T503-D507 PolarHBondContact OG1-OD1 3.2Å; T503-D507 PolarHBondContact OG1-OD2 3.09Å
504	G	90.2	Very high	95.3	Very high	14 Å²	14	54.3 Å²	54.3	14%	0.144	31%	0.312	C	S	.	.	H	α-helix	trans	35.9	-115.7	162.1	0	0	0	0	0	115.3	G498 H500 G506 D507	G498-G504 WeakPolarHBondContact CA-O 3.39Å; G498-G504 WeakPolarHBondContact O-CA 3.11Å; H500-G504 VanDerWaalsContact O-CA 3.31Å; H500-G504 WeakPolarHBondContact O-CA 3.4Å; H500-G504 PolarHBondContact O-N 2.8Å; G504-G506 VanDerWaalsContact C-N 3.27Å; G504-G506 PolarHBondContact O-N 3.41Å; G504-D507 WeakPolarHBondContact O-CB 3.49Å; G504-D507 PolarHBondContact O-N 3.28Å; G504-D507 VanDerWaalsContact O-N 3.14Å
505	F	95.2	Very high	95.3	Very high	37 Å²	37	56.2 Å²	56.2	16%	0.162	32%	0.315	C	S	.	.	H	α-helix	trans	-61.3	-30.2	177.6	-175.3	-121.4	0	0	0	113.8	L356 N359 W428 T503 D507 I508 N509 W519	L356-F505 HydrophobicContact CD2-CE1 4.29Å; L356-F505 HydrophobicContact CD2-CZ 3.86Å; L356-F505 HydrophobicContact CG-CZ 4.39Å; N359-F505 HydrophobicContact CB-CD1 4.15Å; N359-F505 HydrophobicContact CB-CD2 3.79Å; N359-F505 HydrophobicContact CB-CE1 4.23Å; N359-F505 HydrophobicContact CB-CE2 3.9Å; N359-F505 HydrophobicContact CB-CG 3.95Å; N359-F505 HydrophobicContact CB-CZ 4.13Å; N359-F505 VanDerWaalsContact OD1-CB 3.26Å; N359-F505 WeakPolarHBondContact OD1-CB 3.48Å; N359-F505 WeakPolarHBondContact OD1-CG 3.34Å; W428-F505 HydrophobicContact CH2-CD2 4.04Å; W428-F505 HydrophobicContact CH2-CE2 4.45Å; W428-F505 HydrophobicContact CZ2-CD2 4.43Å; T503-F505 PolarHBondContact O-N 2.9Å; F505-D507 VanDerWaalsContact C-N 3.27Å; F505-D507 PolarHBondContact O-N 3.14Å; F505-I508 HydrophobicContact CD2-CB 4.44Å; F505-I508 HydrophobicContact CD2-CD1 4.18Å; F505-I508 WeakPolarHBondContact O-CB 3.27Å; F505-I508 PolarHBondContact O-N 3.25Å; F505-N509 WeakPolarHBondContact CD1-ND2 3.45Å; F505-N509 WeakPolarHBondContact CE1-ND2 3.37Å; F505-N509 VanDerWaalsContact CZ-OD1 3.29Å; F505-N509 WeakPolarHBondContact CZ-OD1 3.41Å; F505-N509 PolarHBondContact O-N 3.4Å; F505-N509 PolarHBondContact O-OD1 3.01Å; F505-W519 HydrophobicContact CE2-CZ3 4.31Å; F505-W519 HydrophobicContact CZ-CE3 4.14Å; F505-W519 HydrophobicContact CZ-CZ3 4.06Å
506	G	96.9	Very high	95.1	Very high	44 Å²	44	55.1 Å²	55.1	45%	0.454	31%	0.313	S	S	.	.	H	α-helix	trans	-60.1	-31.9	172.6	0	0	0	0	0	113.9	T503 G504 I508 N509 G510	T503-G506 WeakPolarHBondContact O-CA 3.39Å; T503-G506 PolarHBondContact O-N 2.9Å; G504-G506 VanDerWaalsContact C-N 3.27Å; G504-G506 PolarHBondContact O-N 3.41Å; G506-I508 VanDerWaalsContact C-N 3.33Å; G506-N509 PolarHBondContact O-N 3.14Å; G506-G510 PolarHBondContact O-N 2.82Å
507	D	97.3	Very high	95.1	Very high	61 Å²	61	56.1 Å²	56.1	33%	0.326	32%	0.32	S	S	.	.	H	α-helix	trans	-69.9	-31.9	174.1	-66.1	-38	0	0	0	112.1	L497 T503 G504 F505 H511	L497-D507 HydrophobicContact CD1-CB 3.84Å; T503-D507 WeakPolarHBondContact CB-OD1 3.5Å; T503-D507 VanDerWaalsContact CB-OD2 3.27Å; T503-D507 WeakPolarHBondContact CB-OD2 3.49Å; T503-D507 PolarHBondContact O-N 3.26Å; T503-D507 VanDerWaalsContact OG1-CG 3.27Å; T503-D507 PolarHBondContact OG1-OD1 3.2Å; T503-D507 PolarHBondContact OG1-OD2 3.09Å; G504-D507 WeakPolarHBondContact O-CB 3.49Å; G504-D507 PolarHBondContact O-N 3.28Å; G504-D507 VanDerWaalsContact O-N 3.14Å; F505-D507 VanDerWaalsContact C-N 3.27Å; F505-D507 PolarHBondContact O-N 3.14Å; D507-H511 PolarHBondContact O-N 3.41Å
508	I	98.3	Very high	95	Very high	0 Å²	0	59 Å²	59	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-67.4	-51.1	172.6	-62.3	170.7	0	0	0	108.9	W428 F488 L497 F505 G506 G510 H511 F514 W519	W428-I508 HydrophobicContact CD2-CD1 3.82Å; W428-I508 HydrophobicContact CE3-CD1 3.5Å; W428-I508 HydrophobicContact CH2-CD1 3.57Å; W428-I508 HydrophobicContact CZ2-CD1 3.85Å; W428-I508 HydrophobicContact CZ3-CD1 3.38Å; F488-I508 HydrophobicContact CE1-CD1 3.77Å; F488-I508 HydrophobicContact CE1-CG1 3.92Å; F488-I508 HydrophobicContact CZ-CD1 3.96Å; F488-I508 HydrophobicContact CZ-CG1 3.9Å; F488-I508 HydrophobicContact CZ-CG2 4.13Å; L497-I508 HydrophobicContact CD1-CG1 4.44Å; L497-I508 HydrophobicContact CG-CG1 3.99Å; F505-I508 HydrophobicContact CD2-CB 4.44Å; F505-I508 HydrophobicContact CD2-CD1 4.18Å; F505-I508 WeakPolarHBondContact O-CB 3.27Å; F505-I508 PolarHBondContact O-N 3.25Å; G506-I508 VanDerWaalsContact C-N 3.33Å; I508-G510 VanDerWaalsContact C-N 3.29Å; I508-G510 PolarHBondContact O-N 2.9Å; I508-H511 WeakPolarHBondContact O-CB 3.45Å; I508-H511 PolarHBondContact O-N 3.47Å; I508-F514 HydrophobicContact CG2-CD2 4.01Å; I508-F514 HydrophobicContact CG2-CE2 3.78Å; I508-F514 HydrophobicContact CG2-CZ 4.48Å; I508-F514 WeakPolarHBondContact O-CD2 3.35Å; I508-W519 HydrophobicContact CG2-CH2 4.08Å; I508-W519 HydrophobicContact CG2-CZ2 4.44Å
509	N	97.1	Very high	95.1	Very high	47 Å²	47	60.3 Å²	60.3	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-39	-178.4	-63.2	-6.3	0	0	0	112.3	F505 G506 W519	F505-N509 WeakPolarHBondContact CD1-ND2 3.45Å; F505-N509 WeakPolarHBondContact CE1-ND2 3.37Å; F505-N509 VanDerWaalsContact CZ-OD1 3.29Å; F505-N509 WeakPolarHBondContact CZ-OD1 3.41Å; F505-N509 PolarHBondContact O-N 3.4Å; F505-N509 PolarHBondContact O-OD1 3.01Å; G506-N509 PolarHBondContact O-N 3.14Å; N509-W519 HydrophobicContact CB-CZ2 4.34Å; N509-W519 VanDerWaalsContact OD1-CE2 3.29Å; N509-W519 VanDerWaalsContact OD1-CZ2 3.32Å; N509-W519 WeakPolarHBondContact OD1-CZ2 3.28Å
510	G	97.2	Very high	95.1	Very high	63 Å²	63	65.2 Å²	65.2	65%	0.649	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8	176.6	0	0	0	0	0	115.3	G506 I508	G506-G510 PolarHBondContact O-N 2.82Å; I508-G510 VanDerWaalsContact C-N 3.29Å; I508-G510 PolarHBondContact O-N 2.9Å
511	H	98.6	Very high	95.4	Very high	25 Å²	25	64.2 Å²	64.2	12%	0.116	36%	0.356	C	S	.	.	S	Bend	trans	-67.1	135.7	-173.8	-171.2	-79.8	0	0	0	111.8	K480 S483 V484 D507 I508 F513 F514 R515	K480-H511 PolarHBondContact O-CE1 3.42Å; S483-H511 VanDerWaalsContact C-CE1 3.43Å; S483-H511 WeakPolarHBondContact CB-CE1 3.13Å; S483-H511 VanDerWaalsContact CB-NE2 3.26Å; S483-H511 WeakPolarHBondContact CB-NE2 3.45Å; S483-H511 PolarHBondContact O-NE2 3.39Å; S483-H511 PolarHBondContact OG-CE1 3.05Å; S483-H511 PolarHBondContact OG-NE2 2.88Å; V484-H511 VanDerWaalsContact CA-CE1 3.41Å; V484-H511 WeakPolarHBondContact CA-CE1 3.21Å; V484-H511 VanDerWaalsContact CB-CE1 3.4Å; V484-H511 WeakPolarHBondContact CB-CE1 3.29Å; V484-H511 PolarHBondContact N-CE1 3.19Å; V484-H511 PolarHBondContact N-NE2 3.3Å; D507-H511 PolarHBondContact O-N 3.41Å; I508-H511 WeakPolarHBondContact O-CB 3.45Å; I508-H511 PolarHBondContact O-N 3.47Å; H511-F513 WeakPolarHBondContact ND1-CB 3.38Å; H511-F513 PolarHBondContact ND1-N 2.85Å; H511-F513 PolarHBondContact O-N 2.85Å; H511-F514 HydrophobicContact CB-CD2 4.22Å; H511-F514 PolarHBondContact O-N 2.8Å; H511-R515 PolarHBondContact O-N 2.97Å
512	P	98.6	Very high	95.9	Very high	70 Å²	70	59 Å²	59	46%	0.455	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.1	-176.7	-29.8	36.2	0	0	0	117.1	K480	K480-P512 WeakPolarHBondContact CD-O 3.38Å; K480-P512 HydrophobicContact CG-CB 4.47Å
513	F	98.7	Very high	96.6	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.009	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-36.9	172	-178.1	-102.3	0	0	0	112.8	E344 R348 M435 M439 K480 A481 V484 H511	E344-F513 HydrophobicContact CB-CE2 4.33Å; R348-F513 HydrophobicContact CB-CE1 3.7Å; R348-F513 HydrophobicContact CB-CZ 3.8Å; R348-F513 WeakPolarHBondContact CD-O 3.33Å; R348-F513 HydrophobicContact CG-CD1 4.3Å; R348-F513 HydrophobicContact CG-CE1 3.96Å; R348-F513 HydrophobicContact CG-CZ 4.44Å; R348-F513 PolarHBondContact NE-O 2.79Å; M435-F513 HydrophobicContact CE-CD1 3.87Å; M435-F513 HydrophobicContact CE-CE1 3.38Å; M435-F513 HydrophobicContact CE-CZ 4.03Å; M439-F513 HydrophobicContact CE-CZ 4.28Å; M439-F513 HydrophobicContact SD-CE2 4.06Å; M439-F513 HydrophobicContact SD-CZ 4Å; K480-F513 HydrophobicContact CB-CB 4.33Å; K480-F513 HydrophobicContact CB-CD2 4.26Å; A481-F513 HydrophobicContact CB-CD2 4.17Å; A481-F513 HydrophobicContact CB-CE2 3.94Å; V484-F513 HydrophobicContact CB-CB 3.85Å; V484-F513 HydrophobicContact CB-CD1 4.34Å; V484-F513 HydrophobicContact CB-CG 4.1Å; V484-F513 HydrophobicContact CG1-CB 4Å; V484-F513 HydrophobicContact CG1-CD1 3.84Å; V484-F513 HydrophobicContact CG1-CD2 4.05Å; V484-F513 HydrophobicContact CG1-CE1 4.29Å; V484-F513 HydrophobicContact CG1-CE2 4.5Å; V484-F513 HydrophobicContact CG1-CG 3.69Å; V484-F513 HydrophobicContact CG2-CB 4.27Å; V484-F513 HydrophobicContact CG2-CD1 4.33Å; H511-F513 WeakPolarHBondContact ND1-CB 3.38Å; H511-F513 PolarHBondContact ND1-N 2.85Å; H511-F513 PolarHBondContact O-N 2.85Å
514	F	98.6	Very high	97	Very high	1 Å²	1	57.4 Å²	57.4	0%	0.004	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.9	-179.6	-63.6	-69.9	0	0	0	114.1	R348 S351 A352 M435 V484 F488 I508 H511 N516 V517 W519	R348-F514 HydrophobicContact CG-CD1 3.91Å; R348-F514 HydrophobicContact CG-CE1 4.31Å; S351-F514 WeakPolarHBondContact OG-CE1 3.41Å; A352-F514 HydrophobicContact CB-CD1 4.18Å; A352-F514 HydrophobicContact CB-CE1 4.13Å; M435-F514 HydrophobicContact CE-CZ 4Å; M435-F514 HydrophobicContact SD-CZ 4.41Å; V484-F514 HydrophobicContact CG2-CE2 3.82Å; F488-F514 HydrophobicContact CE2-CE2 4.28Å; I508-F514 HydrophobicContact CG2-CD2 4.01Å; I508-F514 HydrophobicContact CG2-CE2 3.78Å; I508-F514 HydrophobicContact CG2-CZ 4.48Å; I508-F514 WeakPolarHBondContact O-CD2 3.35Å; H511-F514 HydrophobicContact CB-CD2 4.22Å; H511-F514 PolarHBondContact O-N 2.8Å; F514-N516 PolarHBondContact O-N 2.78Å; F514-V517 HydrophobicContact CB-CG2 4.33Å; F514-V517 HydrophobicContact CD1-CG2 4.12Å; F514-V517 WeakPolarHBondContact O-CB 3.26Å; F514-V517 PolarHBondContact O-N 2.68Å; F514-W519 HydrophobicContact CB-CZ2 3.72Å; F514-W519 HydrophobicContact CD1-CH2 4.17Å; F514-W519 HydrophobicContact CD1-CZ2 4.05Å; F514-W519 HydrophobicContact CD2-CZ2 4.36Å; F514-W519 HydrophobicContact CE1-CH2 4.49Å; F514-W519 HydrophobicContact CG-CH2 4.26Å; F514-W519 AromaticContact CG-CZ2 3.81Å; F514-W519 HydrophobicContact CG-CZ2 3.81Å
515	R	95.3	Very high	97.3	Very high	201 Å²	201	59.6 Å²	59.6	76%	0.758	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-26.6	-178.9	175.5	173.9	172.9	-178.4	-1.4	116.3	H511	H511-R515 PolarHBondContact O-N 2.97Å
516	N	92.9	Very high	97.4	Very high	116 Å²	116	63.6 Å²	63.6	62%	0.62	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	10.4	-179.2	-64.9	10.7	0	0	0	113	F514	F514-N516 PolarHBondContact O-N 2.78Å
517	V	97.8	Very high	97.5	Very high	26 Å²	26	63.7 Å²	63.7	16%	0.158	33%	0.326	C	S	.	.			trans	-92.1	122.6	173.9	179	0	0	0	0	108.4	R348 A352 F514 W519 L522	R348-V517 HydrophobicContact CG-CG2 3.89Å; A352-V517 HydrophobicContact CB-CG1 4.01Å; A352-V517 HydrophobicContact CB-CG2 4.15Å; F514-V517 HydrophobicContact CB-CG2 4.33Å; F514-V517 HydrophobicContact CD1-CG2 4.12Å; F514-V517 WeakPolarHBondContact O-CB 3.26Å; F514-V517 PolarHBondContact O-N 2.68Å; V517-W519 HydrophobicContact CG1-CD2 3.82Å; V517-W519 HydrophobicContact CG1-CE3 4.27Å; V517-W519 HydrophobicContact CG1-CG 4.04Å; V517-W519 HydrophobicContact CG1-CZ2 4.4Å; V517-L522 HydrophobicContact CG1-CB 4.5Å; V517-L522 HydrophobicContact CG1-CD2 3.85Å
518	D	97.8	Very high	97.5	Very high	82 Å²	82	67.9 Å²	67.9	44%	0.439	35%	0.348	S	S	.	.			trans	-87.9	105.5	161.4	-169.7	-47.1	0	0	0	107.2	E520 L521 L522	D518-E520 PolarHBondContact OD1-N 3.44Å; D518-L521 HydrophobicContact CB-CB 4.08Å; D518-L521 HydrophobicContact CB-CD1 4.08Å; D518-L521 HydrophobicContact CB-CG 4.24Å; D518-L521 PolarHBondContact OD1-N 2.91Å; D518-L522 WeakPolarHBondContact O-CB 3.46Å; D518-L522 PolarHBondContact O-N 3.43Å
519	W	98	Very high	97.4	Very high	36 Å²	36	68.7 Å²	68.7	14%	0.136	35%	0.353	C	S	.	.	H	α-helix	trans	-70.8	-31.6	-171.1	-66.5	90.3	0	0	0	112.6	A352 L356 F505 I508 N509 F514 V517 E523	A352-W519 HydrophobicContact CB-CE3 4.42Å; A352-W519 HydrophobicContact CB-CH2 3.8Å; A352-W519 HydrophobicContact CB-CZ3 3.75Å; A352-W519 WeakPolarHBondContact O-CZ3 3.48Å; L356-W519 HydrophobicContact CD1-CE3 4.14Å; L356-W519 HydrophobicContact CD2-CE3 4.08Å; L356-W519 HydrophobicContact CG-CE3 3.89Å; L356-W519 HydrophobicContact CG-CZ3 4.17Å; F505-W519 HydrophobicContact CE2-CZ3 4.31Å; F505-W519 HydrophobicContact CZ-CE3 4.14Å; F505-W519 HydrophobicContact CZ-CZ3 4.06Å; I508-W519 HydrophobicContact CG2-CH2 4.08Å; I508-W519 HydrophobicContact CG2-CZ2 4.44Å; N509-W519 HydrophobicContact CB-CZ2 4.34Å; N509-W519 VanDerWaalsContact OD1-CE2 3.29Å; N509-W519 VanDerWaalsContact OD1-CZ2 3.32Å; N509-W519 WeakPolarHBondContact OD1-CZ2 3.28Å; F514-W519 HydrophobicContact CB-CZ2 3.72Å; F514-W519 HydrophobicContact CD1-CH2 4.17Å; F514-W519 HydrophobicContact CD1-CZ2 4.05Å; F514-W519 HydrophobicContact CD2-CZ2 4.36Å; F514-W519 HydrophobicContact CE1-CH2 4.49Å; F514-W519 HydrophobicContact CG-CH2 4.26Å; F514-W519 AromaticContact CG-CZ2 3.81Å; F514-W519 HydrophobicContact CG-CZ2 3.81Å; V517-W519 HydrophobicContact CG1-CD2 3.82Å; V517-W519 HydrophobicContact CG1-CE3 4.27Å; V517-W519 HydrophobicContact CG1-CG 4.04Å; V517-W519 HydrophobicContact CG1-CZ2 4.4Å; W519-E523 WeakPolarHBondContact O-CB 3.27Å; W519-E523 PolarHBondContact O-N 3.37Å
520	E	97.5	Very high	97.4	Very high	131 Å²	131	68.7 Å²	68.7	61%	0.612	36%	0.355	S	S	*	.	H	α-helix	trans	-73.6	-45.7	178.5	-180	175.8	-179	0	0	110.6	D518 L522 E523 Q524	D518-E520 PolarHBondContact OD1-N 3.44Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.34Å; E520-E523 PolarHBondContact O-N 2.72Å; E520-Q524 VanDerWaalsContact CG-NE2 3.28Å; E520-Q524 WeakPolarHBondContact O-CB 3.38Å; E520-Q524 VanDerWaalsContact O-CG 3.28Å; E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 2.86Å; E520-Q524 PolarHBondContact OE1-NE2 3Å
521	L	98.1	Very high	97.3	Very high	65 Å²	65	68.4 Å²	68.4	34%	0.34	34%	0.336	S	S	.	.	H	α-helix	trans	-65.5	-32.4	173.6	-64.2	-179.2	0	0	0	112.2	D518 K525 Q526 V527	D518-L521 HydrophobicContact CB-CB 4.08Å; D518-L521 HydrophobicContact CB-CD1 4.08Å; D518-L521 HydrophobicContact CB-CG 4.24Å; D518-L521 PolarHBondContact OD1-N 2.91Å; L521-K525 PolarHBondContact O-N 3.46Å; L521-Q526 HydrophobicContact CB-CB 4.31Å; L521-Q526 HydrophobicContact CD2-CB 4.3Å; L521-Q526 WeakPolarHBondContact O-CA 3.33Å; L521-Q526 WeakPolarHBondContact O-CB 3.26Å; L521-Q526 PolarHBondContact O-N 3.25Å; L521-V527 HydrophobicContact CB-CG2 3.94Å
522	L	98	Very high	97.2	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-67.4	-51.5	176	-173	67	0	0	0	110.8	F306 F349 A352 E353 L356 V517 D518 E520 Q524 K525 V527	F306-L522 HydrophobicContact CZ-CG 4.38Å; F306-L522 VanDerWaalsContact CZ-O 3.27Å; F306-L522 WeakPolarHBondContact CZ-O 3.22Å; F349-L522 HydrophobicContact CD2-CD1 4.06Å; F349-L522 HydrophobicContact CE2-CD1 3.6Å; F349-L522 HydrophobicContact CZ-CD1 4.1Å; A352-L522 HydrophobicContact CB-CD2 3.41Å; A352-L522 VanDerWaalsContact CB-CD2 3.41Å; E353-L522 HydrophobicContact CG-CD1 3.71Å; E353-L522 HydrophobicContact CG-CD2 3.92Å; E353-L522 HydrophobicContact CG-CG 3.89Å; L356-L522 HydrophobicContact CD1-CB 4.32Å; L356-L522 HydrophobicContact CD1-CD2 3.97Å; L356-L522 HydrophobicContact CD1-CG 4.13Å; V517-L522 HydrophobicContact CG1-CB 4.5Å; V517-L522 HydrophobicContact CG1-CD2 3.85Å; D518-L522 WeakPolarHBondContact O-CB 3.46Å; D518-L522 PolarHBondContact O-N 3.43Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.34Å; L522-Q524 PolarHBondContact O-N 2.73Å; L522-K525 WeakPolarHBondContact O-CA 3.49Å; L522-K525 PolarHBondContact O-N 3.37Å; L522-V527 HydrophobicContact CB-CG2 4.17Å; L522-V527 HydrophobicContact CD1-CB 3.93Å; L522-V527 HydrophobicContact CD1-CG1 4.44Å; L522-V527 HydrophobicContact CD1-CG2 4.26Å
523	E	97.1	Very high	96.9	Very high	84 Å²	84	69.7 Å²	69.7	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-56	-38.6	176.7	-170.3	175.1	-148.6	0	0	111.9	P305 L356 W519 E520 K525	P305-E523 VanDerWaalsContact CG-O 3.27Å; P305-E523 WeakPolarHBondContact CG-O 3.24Å; L356-E523 HydrophobicContact CD1-CB 4.02Å; W519-E523 WeakPolarHBondContact O-CB 3.27Å; W519-E523 PolarHBondContact O-N 3.37Å; E520-E523 PolarHBondContact O-N 2.72Å; E523-K525 PolarHBondContact O-N 3.44Å
524	Q	97.3	Very high	96.6	Very high	97 Å²	97	74.8 Å²	74.8	45%	0.453	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	7.7	176.2	-64	174.6	29.4	0	0	114.4	E520 L522 Q526	E520-Q524 VanDerWaalsContact CG-NE2 3.28Å; E520-Q524 WeakPolarHBondContact O-CB 3.38Å; E520-Q524 VanDerWaalsContact O-CG 3.28Å; E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 2.86Å; E520-Q524 PolarHBondContact OE1-NE2 3Å; L522-Q524 PolarHBondContact O-N 2.73Å; Q524-Q526 HydrophobicContact CB-CG 4.1Å; Q524-Q526 PolarHBondContact O-N 3.41Å
525	K	97.7	Very high	96.3	Very high	60 Å²	60	78 Å²	78	26%	0.261	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	33.4	-173.7	-70.1	-167.5	169.5	-174.5	0	114.3	P305 F306 D379 H383 L521 L522 E523	P305-K525 HydrophobicContact CB-CD 4.33Å; P305-K525 HydrophobicContact CB-CG 4.27Å; P305-K525 VanDerWaalsContact O-CE 3.32Å; P305-K525 WeakPolarHBondContact O-CE 3.38Å; P305-K525 PolarHBondContact O-NZ 2.81Å; F306-K525 HydrophobicContact CE1-CD 4.38Å; F306-K525 HydrophobicContact CE1-CG 3.89Å; F306-K525 HydrophobicContact CZ-CG 4.22Å; D379-K525 IonicContact OD2-NZ 2.94Å; D379-K525 PolarHBondContact OD2-NZ 3.48Å; H383-K525 HydrophobicContact CB-CD 4.25Å; L521-K525 PolarHBondContact O-N 3.46Å; L522-K525 WeakPolarHBondContact O-CA 3.49Å; L522-K525 PolarHBondContact O-N 3.37Å; E523-K525 PolarHBondContact O-N 3.44Å
526	Q	97.8	Very high	95.9	Very high	121 Å²	121	70.1 Å²	70.1	57%	0.565	36%	0.355	S	S	*	.			trans	-93.9	-10.9	177.8	-64.2	-179.6	34.9	0	0	113.4	L521 Q524	L521-Q526 HydrophobicContact CB-CB 4.31Å; L521-Q526 HydrophobicContact CD2-CB 4.3Å; L521-Q526 WeakPolarHBondContact O-CA 3.33Å; L521-Q526 WeakPolarHBondContact O-CB 3.26Å; L521-Q526 PolarHBondContact O-N 3.25Å; Q524-Q526 HydrophobicContact CB-CG 4.1Å; Q524-Q526 PolarHBondContact O-N 3.41Å
527	V	97.6	Very high	95.4	Very high	47 Å²	47	68 Å²	68	29%	0.285	36%	0.36	S	S	.	.	S	Bend	trans	-86.5	119.9	171.5	-175.2	0	0	0	0	109.2	F349 H383 L521 L522	F349-V527 HydrophobicContact CD2-CG1 4.12Å; F349-V527 HydrophobicContact CE2-CB 4.16Å; F349-V527 HydrophobicContact CE2-CG1 3.81Å; H383-V527 PolarHBondContact CE1-O 3.35Å; L521-V527 HydrophobicContact CB-CG2 3.94Å; L522-V527 HydrophobicContact CB-CG2 4.17Å; L522-V527 HydrophobicContact CD1-CB 3.93Å; L522-V527 HydrophobicContact CD1-CG1 4.44Å; L522-V527 HydrophobicContact CD1-CG2 4.26Å
528	L	96.9	Very high	94.5	Very high	149 Å²	149	74.9 Å²	74.9	78%	0.78	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-61.8	128.4	-179	-175.6	71.1	0	0	0	111.7
529	P	97.7	Very high	94.1	Very high	17 Å²	17	73.1 Å²	73.1	11%	0.11	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-59.1	144.4	174.7	-28.8	37.3	0	0	0	113.9	F349 H383 F531	F349-P529 HydrophobicContact CE1-CB 4.06Å; F349-P529 HydrophobicContact CE1-CG 4.3Å; F349-P529 HydrophobicContact CZ-CB 4Å; F349-P529 HydrophobicContact CZ-CG 3.91Å; H383-P529 WeakPolarHBondContact NE2-CG 3.39Å; P529-F531 PolarHBondContact O-N 3.29Å
530	P	96.4	Very high	93.6	Very high	46 Å²	46	71.4 Å²	71.4	30%	0.299	37%	0.373	S	S	.	.	S	Bend	trans	-76.4	-11.4	-178	33.8	-38.3	0	0	0	113.2	H346 F349 Y350	H346-P530 HydrophobicContact CB-CB 4.38Å; H346-P530 HydrophobicContact CB-CG 4.15Å; H346-P530 PolarHBondContact CE1-O 2.92Å; F349-P530 HydrophobicContact CB-CG 4.04Å; F349-P530 HydrophobicContact CD1-CG 3.97Å; F349-P530 HydrophobicContact CG-CG 4.03Å; Y350-P530 HydrophobicContact CE1-CG 4.43Å
531	F	95.4	Very high	93.3	Very high	58 Å²	58	67 Å²	67	25%	0.254	35%	0.353	S	S	.	.			trans	-146.9	127.1	174.9	162.8	-100.7	0	0	0	108.6	H335 L378 G382 P529 P533	H335-F531 AromaticContact CE1-CD1 3.29Å; H335-F531 WeakPolarHBondContact CE1-CD1 3.31Å; H335-F531 AromaticContact CE1-CD2 3.72Å; H335-F531 AromaticContact CE1-CE1 3.48Å; H335-F531 VanDerWaalsContact CE1-CE1 3.48Å; H335-F531 WeakPolarHBondContact CE1-CE1 3.37Å; H335-F531 AromaticContact CE1-CE2 3.89Å; H335-F531 AromaticContact CE1-CG 3.4Å; H335-F531 VanDerWaalsContact CE1-CG 3.4Å; H335-F531 WeakPolarHBondContact CE1-CG 3.46Å; H335-F531 AromaticContact CE1-CZ 3.78Å; H335-F531 AromaticContact ND1-CD1 3.57Å; H335-F531 AromaticContact ND1-CE1 3.3Å; H335-F531 VanDerWaalsContact ND1-CE1 3.3Å; H335-F531 WeakPolarHBondContact ND1-CE1 3.45Å; H335-F531 AromaticContact ND1-CZ 3.64Å; L378-F531 HydrophobicContact CD1-CD1 4.2Å; L378-F531 HydrophobicContact CD1-CE1 4.13Å; G382-F531 WeakPolarHBondContact CA-O 3.38Å; P529-F531 PolarHBondContact O-N 3.29Å; F531-P533 HydrophobicContact CD1-CG 4.34Å; F531-P533 HydrophobicContact CE1-CB 4.21Å; F531-P533 HydrophobicContact CE1-CG 3.85Å
532	K	95.3	Very high	92.9	Very high	115 Å²	115	68.4 Å²	68.4	50%	0.5	36%	0.361	S	S	.	.			trans	-98.8	121.8	171.2	-177.3	161.7	-175.4	158.7	0	109.3	S380 E381	S380-K532 VanDerWaalsContact O-CE 3.23Å; S380-K532 WeakPolarHBondContact O-CE 3.5Å; E381-K532 WeakPolarHBondContact OE1-CE 3.49Å; E381-K532 IonicContact OE1-NZ 3.82Å; E381-K532 PolarHBondContact OE1-NZ 3.28Å; E381-K532 IonicContact OE2-NZ 3.37Å; E381-K532 PolarHBondContact OE2-NZ 2.88Å
533	P	93.9	Very high	92.4	Very high	7 Å²	7	68.6 Å²	68.6	5%	0.045	36%	0.362	C	S	.	.			trans	-58.3	146.5	176.3	-27.2	37	0	0	0	112.7	L378 D379 F531 I535	L378-P533 HydrophobicContact CB-CG 4.06Å; L378-P533 HydrophobicContact CD1-CG 4.34Å; D379-P533 WeakPolarHBondContact O-CG 3.34Å; F531-P533 HydrophobicContact CD1-CG 4.34Å; F531-P533 HydrophobicContact CE1-CB 4.21Å; F531-P533 HydrophobicContact CE1-CG 3.85Å; P533-I535 HydrophobicContact CB-CD1 4.18Å; P533-I535 PolarHBondContact O-N 2.98Å
534	N	92.1	Very high	92	Very high	109 Å²	109	66.3 Å²	66.3	58%	0.583	35%	0.351	S	S	*	.			trans	-81.6	114.2	172.2	-178.5	59.4	0	0	0	109	S536 N543	N534-S536 PolarHBondContact ND2-OG 2.89Å; N534-N543 PolarHBondContact O-ND2 3.2Å
535	I	91.8	Very high	91.4	Very high	67 Å²	67	65.3 Å²	65.3	34%	0.344	35%	0.349	S	S	.	.			trans	-100.6	103.8	176.4	-51.2	-54.8	0	0	0	108.3	N328 P533	N328-I535 WeakPolarHBondContact O-CD1 3.21Å; P533-I535 HydrophobicContact CB-CD1 4.18Å; P533-I535 PolarHBondContact O-N 2.98Å
536	S	86.6	Confident	90.9	Very high	36 Å²	36	65 Å²	65	25%	0.252	36%	0.357	S	S	.	.			trans	-117.6	155.4	177.4	38.8	0	0	0	0	112.1	N534 G540 D542	N534-S536 PolarHBondContact ND2-OG 2.89Å; S536-G540 VanDerWaalsContact O-CA 3.28Å; S536-G540 WeakPolarHBondContact O-CA 3.41Å; S536-G540 PolarHBondContact O-N 2.84Å; S536-D542 WeakPolarHBondContact CB-OD2 3.46Å; S536-D542 PolarHBondContact OG-OD2 3.4Å
537	G	81.8	Confident	90.5	Very high	72 Å²	72	65.1 Å²	65.1	74%	0.742	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	-172.9	-171.3	0	0	0	0	0	113.2	F539	G537-F539 PolarHBondContact O-N 2.93Å
538	E	80.1	Confident	90.1	Very high	171 Å²	171	64.7 Å²	64.7	80%	0.799	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.7	-173.8	-165.6	174.6	-173.9	0	0	113.4
539	F	89	Confident	89.8	Confident	45 Å²	45	58.6 Å²	58.6	20%	0.197	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	3.1	-173.7	-51.4	-69.9	0	0	0	115.1	L249 L262 I271 Y326 G537 L541	L249-F539 HydrophobicContact CD1-CE1 4.05Å; L249-F539 HydrophobicContact CD1-CE2 4.39Å; L249-F539 HydrophobicContact CD1-CZ 3.9Å; L262-F539 HydrophobicContact CD2-CB 3.74Å; L262-F539 HydrophobicContact CD2-CD1 4.22Å; L262-F539 HydrophobicContact CD2-CD2 4.12Å; L262-F539 HydrophobicContact CD2-CG 3.76Å; I271-F539 HydrophobicContact CD1-CD1 4.27Å; I271-F539 HydrophobicContact CD1-CE1 3.81Å; I271-F539 HydrophobicContact CG1-CD1 4.41Å; I271-F539 HydrophobicContact CG1-CE1 4.3Å; Y326-F539 WeakPolarHBondContact CE1-O 3.21Å; Y326-F539 PolarHBondContact OH-O 3.06Å; G537-F539 PolarHBondContact O-N 2.93Å; F539-L541 HydrophobicContact CB-CG 4.16Å; F539-L541 HydrophobicContact CD2-CD1 4.49Å
540	G	88.4	Confident	89.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.348	C	S	.	.			trans	76	22.6	-176.8	0	0	0	0	0	115.1	S536 D542 N543	S536-G540 VanDerWaalsContact O-CA 3.28Å; S536-G540 WeakPolarHBondContact O-CA 3.41Å; S536-G540 PolarHBondContact O-N 2.84Å; G540-D542 PolarHBondContact O-N 3.37Å; G540-D542 VanDerWaalsContact O-N 3.1Å; G540-N543 PolarHBondContact O-N 2.76Å
541	L	90.4	Very high	89.2	Confident	39 Å²	39	63.5 Å²	63.5	20%	0.204	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-63.5	-16.8	-172.9	-68.6	172.3	0	0	0	114.6	R250 I252 L262 F539 N543 F544 T549	R250-L541 HydrophobicContact CB-CD1 4.42Å; R250-L541 HydrophobicContact CB-CD2 4.28Å; R250-L541 HydrophobicContact CG-CD1 3.89Å; R250-L541 HydrophobicContact CG-CD2 3.88Å; I252-L541 HydrophobicContact CG2-CD2 3.87Å; L262-L541 HydrophobicContact CD2-CD2 4.2Å; F539-L541 HydrophobicContact CB-CG 4.16Å; F539-L541 HydrophobicContact CD2-CD1 4.49Å; L541-N543 PolarHBondContact O-N 3.29Å; L541-N543 VanDerWaalsContact O-N 3.13Å; L541-F544 HydrophobicContact CD2-CD2 4.39Å; L541-F544 PolarHBondContact O-N 2.89Å; L541-T549 HydrophobicContact CD2-CG2 4.33Å
542	D	89.1	Confident	88.9	Confident	94 Å²	94	64.6 Å²	64.6	50%	0.503	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-66.8	-8.1	177.4	-60.2	-34.5	0	0	0	114	S536 G540	S536-D542 WeakPolarHBondContact CB-OD2 3.46Å; S536-D542 PolarHBondContact OG-OD2 3.4Å; G540-D542 PolarHBondContact O-N 3.37Å; G540-D542 VanDerWaalsContact O-N 3.1Å
543	N	88.4	Confident	88.8	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.032	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-98.6	4.1	173.7	-60.4	-43	0	0	0	113.8	N328 G330 F334 N534 G540 L541	N328-N543 PolarHBondContact O-ND2 3.36Å; N328-N543 VanDerWaalsContact O-ND2 3.08Å; G330-N543 WeakPolarHBondContact CA-O 3.44Å; F334-N543 HydrophobicContact CE1-CB 4.27Å; N534-N543 PolarHBondContact O-ND2 3.2Å; G540-N543 PolarHBondContact O-N 2.76Å; L541-N543 PolarHBondContact O-N 3.29Å; L541-N543 VanDerWaalsContact O-N 3.13Å
544	F	87.8	Confident	88.4	Confident	37 Å²	37	67.5 Å²	67.5	16%	0.162	37%	0.372	C	S	.	.	S	Bend	trans	-110.4	152.6	175	-65.1	-95.1	0	0	0	110.3	I252 Y326 V327 N328 L541 A546 T549	I252-F544 HydrophobicContact CB-CD1 3.78Å; I252-F544 HydrophobicContact CB-CE1 3.95Å; I252-F544 HydrophobicContact CB-CG 4.38Å; I252-F544 HydrophobicContact CD1-CE1 4.28Å; I252-F544 HydrophobicContact CG2-CD1 4.36Å; I252-F544 WeakPolarHBondContact O-CD1 3.4Å; Y326-F544 HydrophobicContact CE2-CE1 4.42Å; Y326-F544 AromaticContact CE2-CE2 3.95Å; Y326-F544 HydrophobicContact CE2-CE2 3.95Å; Y326-F544 AromaticContact CE2-CZ 3.53Å; Y326-F544 HydrophobicContact CE2-CZ 3.53Å; Y326-F544 AromaticContact CZ-CE2 3.97Å; Y326-F544 VanDerWaalsContact OH-CE2 3.26Å; Y326-F544 WeakPolarHBondContact OH-CE2 3.43Å; V327-F544 WeakPolarHBondContact O-CZ 3.35Å; N328-F544 HydrophobicContact CB-CE2 4.35Å; L541-F544 HydrophobicContact CD2-CD2 4.39Å; L541-F544 PolarHBondContact O-N 2.89Å; F544-A546 PolarHBondContact O-N 3.01Å; F544-T549 HydrophobicContact CB-CG2 3.84Å
545	D	86.3	Confident	88.2	Confident	76 Å²	76	64 Å²	64	41%	0.406	35%	0.353	S	S	.	.			trans	-65.1	128.3	179.6	-167.3	-30.3	0	0	0	111.2	Q547 F548 T549	D545-Q547 HydrophobicContact CB-CG 4.17Å; D545-Q547 PolarHBondContact O-N 2.94Å; D545-Q547 VanDerWaalsContact O-N 3.14Å; D545-Q547 WeakPolarHBondContact OD1-CG 3.5Å; D545-Q547 PolarHBondContact OD1-N 2.81Å; D545-Q547 PolarHBondContact OD2-NE2 2.67Å; D545-F548 HydrophobicContact CB-CD2 3.78Å; D545-F548 HydrophobicContact CB-CE2 3.94Å; D545-F548 PolarHBondContact O-N 3.24Å; D545-T549 PolarHBondContact O-N 2.93Å
546	A	87	Confident	87.9	Confident	52 Å²	52	64.2 Å²	64.2	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-58.6	-22.8	177.4	0	0	0	0	0	113.1	F544 F548 T549 N550	F544-A546 PolarHBondContact O-N 3.01Å; A546-F548 PolarHBondContact O-N 3.21Å; A546-T549 WeakPolarHBondContact CA-OG1 3.1Å; A546-N550 VanDerWaalsContact O-CB 3.26Å; A546-N550 WeakPolarHBondContact O-CB 3.27Å; A546-N550 VanDerWaalsContact O-CG 3.27Å; A546-N550 PolarHBondContact O-N 3.45Å; A546-N550 PolarHBondContact O-ND2 3.41Å
547	Q	88.5	Confident	87.8	Confident	124 Å²	124	67.5 Å²	67.5	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-61.4	-31.4	172.6	80	-179.5	-58	0	0	112.2	D545	D545-Q547 HydrophobicContact CB-CG 4.17Å; D545-Q547 PolarHBondContact O-N 2.94Å; D545-Q547 VanDerWaalsContact O-N 3.14Å; D545-Q547 WeakPolarHBondContact OD1-CG 3.5Å; D545-Q547 PolarHBondContact OD1-N 2.81Å; D545-Q547 PolarHBondContact OD2-NE2 2.67Å
548	F	89.3	Confident	88.1	Confident	39 Å²	39	67.5 Å²	67.5	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-89.7	-47.5	177.3	-52.6	-51.6	0	0	0	111.5	V251 R254 D545 A546 N550 E551	V251-F548 WeakPolarHBondContact CB-O 3.13Å; V251-F548 HydrophobicContact CG1-CB 4.37Å; V251-F548 CarbonylContact O-C 3.52Å; V251-F548 VanDerWaalsContact O-C 3.3Å; R254-F548 HydrophobicContact CB-CE1 4Å; R254-F548 HydrophobicContact CG-CD1 4.33Å; R254-F548 HydrophobicContact CG-CE1 4.21Å; D545-F548 HydrophobicContact CB-CD2 3.78Å; D545-F548 HydrophobicContact CB-CE2 3.94Å; D545-F548 PolarHBondContact O-N 3.24Å; A546-F548 PolarHBondContact O-N 3.21Å; F548-N550 PolarHBondContact O-N 2.91Å; F548-N550 VanDerWaalsContact O-N 3.11Å; F548-E551 WeakPolarHBondContact O-CB 3.47Å; F548-E551 PolarHBondContact O-N 3.17Å
549	T	90.8	Very high	88.6	Confident	20 Å²	20	63.2 Å²	63.2	12%	0.123	34%	0.343	C	S	.	.	H	α-helix	trans	-67	-18.1	-174.6	63.7	0	0	0	0	114	R250 V251 L541 F544 D545 A546	R250-T549 WeakPolarHBondContact CD-O 3.24Å; R250-T549 HydrophobicContact CG-CG2 4.28Å; R250-T549 PolarHBondContact NH1-O 2.99Å; V251-T549 WeakPolarHBondContact O-CA 3.2Å; V251-T549 PolarHBondContact O-N 2.88Å; L541-T549 HydrophobicContact CD2-CG2 4.33Å; F544-T549 HydrophobicContact CB-CG2 3.84Å; D545-T549 PolarHBondContact O-N 2.93Å; A546-T549 WeakPolarHBondContact CA-OG1 3.1Å
550	N	91	Very high	88.6	Confident	129 Å²	129	67.1 Å²	67.1	69%	0.69	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-5.9	170.5	-65.8	-43.5	0	0	0	114.4	A546 F548	A546-N550 VanDerWaalsContact O-CB 3.26Å; A546-N550 WeakPolarHBondContact O-CB 3.27Å; A546-N550 VanDerWaalsContact O-CG 3.27Å; A546-N550 PolarHBondContact O-N 3.45Å; A546-N550 PolarHBondContact O-ND2 3.41Å; F548-N550 PolarHBondContact O-N 2.91Å; F548-N550 VanDerWaalsContact O-N 3.11Å
551	E	90.8	Very high	88.7	Confident	37 Å²	37	71.7 Å²	71.7	17%	0.173	39%	0.387	C	S	.	.	S	Bend	trans	-64.5	145.9	172.2	-86	-165.1	-138.2	0	0	111.3	V251 R254 K259 F548 I553	V251-E551 HydrophobicContact CB-CB 3.94Å; V251-E551 HydrophobicContact CG1-CB 4.22Å; V251-E551 HydrophobicContact CG2-CB 3.72Å; R254-E551 IonicContact CZ-OE1 3.61Å; R254-E551 IonicContact CZ-OE2 2.73Å; R254-E551 IonicContact NE-OE1 3.19Å; R254-E551 PolarHBondContact NE-OE1 3.1Å; R254-E551 IonicContact NE-OE2 3.57Å; R254-E551 IonicContact NH2-OE1 3.4Å; R254-E551 PolarHBondContact NH2-OE1 3.23Å; R254-E551 IonicContact NH2-OE2 2.81Å; R254-E551 PolarHBondContact NH2-OE2 2.89Å; K259-E551 WeakPolarHBondContact CE-OE2 3.41Å; K259-E551 IonicContact NZ-OE2 2.67Å; K259-E551 PolarHBondContact NZ-OE2 3.02Å; F548-E551 WeakPolarHBondContact O-CB 3.47Å; F548-E551 PolarHBondContact O-N 3.17Å; E551-I553 PolarHBondContact O-N 3.26Å
552	P	89.9	Confident	88.6	Confident	81 Å²	81	72.9 Å²	72.9	53%	0.526	39%	0.393	S	S	.	.			trans	-54.4	134.8	168.3	-26.5	35.8	0	0	0	112.3	V251 K259 Q554	V251-P552 WeakPolarHBondContact CG2-O 3.33Å; K259-P552 PolarHBondContact NZ-O 3.11Å; P552-Q554 HydrophobicContact CB-CG 4.08Å; P552-Q554 PolarHBondContact O-N 3.07Å
553	I	91.9	Very high	88.5	Confident	68 Å²	68	69.6 Å²	69.6	35%	0.349	38%	0.376	S	S	.	.	S	Bend	trans	-78.2	64.6	179.8	-44.2	160.7	0	0	0	109.4	L248 L249 E551	L248-I553 HydrophobicContact CB-CG2 3.78Å; L248-I553 WeakPolarHBondContact O-CG2 3.14Å; L249-I553 VanDerWaalsContact O-CD1 3.28Å; L249-I553 WeakPolarHBondContact O-CD1 3.4Å; E551-I553 PolarHBondContact O-N 3.26Å
554	Q	86	Confident	88.6	Confident	115 Å²	115	77.5 Å²	77.5	54%	0.537	41%	0.405	S	S	.	.	S	Bend	trans	-142.9	148.8	177.7	68.5	-170.8	3.7	0	0	110.7	K259 P552	K259-Q554 PolarHBondContact NZ-O 3.03Å; P552-Q554 HydrophobicContact CB-CG 4.08Å; P552-Q554 PolarHBondContact O-N 3.07Å
555	L	88.1	Confident	88.6	Confident	35 Å²	35	83.6 Å²	83.6	18%	0.183	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-71.7	146.4	160.2	-59.7	179.3	0	0	0	108.3	L243 L261 V276 F321	L243-L555 HydrophobicContact CD2-CD1 3.82Å; L261-L555 HydrophobicContact CD1-CD2 3.8Å; V276-L555 HydrophobicContact CB-CD2 4.48Å; V276-L555 HydrophobicContact CG1-CD2 4.03Å; V276-L555 HydrophobicContact CG2-CD2 4.24Å; F321-L555 HydrophobicContact CE1-CD1 3.99Å; F321-L555 HydrophobicContact CZ-CD1 4.02Å
556	T	84.8	Confident	88.5	Confident	73 Å²	73	81.3 Å²	81.3	45%	0.448	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-58.8	136.9	169.6	-49.1	0	0	0	0	108.7	R319	R319-T556 PolarHBondContact NH2-O 3.25Å
557	P	85.6	Confident	88.4	Confident	104 Å²	104	82.8 Å²	82.8	68%	0.675	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-54.5	154.5	171.7	-26.4	35.7	0	0	0	112.2
558	D	87.8	Confident	88.3	Confident	73 Å²	73	80.1 Å²	80.1	39%	0.39	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-87	148.4	177.3	-74.3	-34	0	0	0	112.2	S318 R319 V563	S318-D558 VanDerWaalsContact CB-CG 3.44Å; S318-D558 VanDerWaalsContact CB-OD1 3.29Å; S318-D558 WeakPolarHBondContact CB-OD1 3.46Å; S318-D558 VanDerWaalsContact CB-OD2 3.27Å; S318-D558 WeakPolarHBondContact CB-OD2 3.4Å; S318-D558 VanDerWaalsContact OG-CG 3.27Å; S318-D558 PolarHBondContact OG-OD1 3.08Å; S318-D558 PolarHBondContact OG-OD2 3.03Å; R319-D558 IonicContact CZ-OD1 3.87Å; R319-D558 IonicContact CZ-OD2 2.64Å; R319-D558 IonicContact NH1-OD1 3.91Å; R319-D558 PolarHBondContact NH1-OD1 3.07Å; R319-D558 IonicContact NH1-OD2 3.85Å; R319-D558 PolarHBondContact NH1-OD2 3.37Å; R319-D558 IonicContact NH2-OD1 2.89Å; R319-D558 PolarHBondContact NH2-OD1 3.47Å; D558-V563 HydrophobicContact CB-CG2 4.04Å
559	D	89.3	Confident	87.9	Confident	81 Å²	81	81.5 Å²	81.5	43%	0.433	42%	0.422	S	S	.	.			trans	-96.2	109.2	165.7	-176.4	-37.5	0	0	0	107.4	D561 I562 V563	D559-D561 PolarHBondContact O-N 3.17Å; D559-D561 PolarHBondContact OD1-N 2.91Å; D559-I562 HydrophobicContact CB-CB 4.15Å; D559-I562 HydrophobicContact CB-CD1 3.91Å; D559-I562 HydrophobicContact CB-CG1 3.95Å; D559-I562 PolarHBondContact O-N 3.28Å; D559-I562 VanDerWaalsContact O-N 3.08Å; D559-I562 PolarHBondContact OD1-N 2.75Å; D559-V563 WeakPolarHBondContact O-CG2 3.49Å; D559-V563 PolarHBondContact O-N 3.44Å
560	E	90.4	Very high	87.4	Confident	126 Å²	126	84 Å²	84	59%	0.589	43%	0.432	S	S	*	.	H	α-helix	trans	-59.2	-31.7	-177.2	-72.8	-167.3	-149.7	0	0	113	I562 V563 R564	E560-I562 VanDerWaalsContact C-N 3.31Å; E560-V563 PolarHBondContact O-N 2.96Å; E560-R564 WeakPolarHBondContact O-CB 3.36Å; E560-R564 WeakPolarHBondContact O-CD 3.35Å; E560-R564 WeakPolarHBondContact O-CG 3.28Å; E560-R564 PolarHBondContact O-N 3.41Å; E560-R564 IonicContact OE2-CZ 3.79Å; E560-R564 IonicContact OE2-NE 2.85Å; E560-R564 IonicContact OE2-NH2 3.75Å; E560-R564 PolarHBondContact OE2-NH2 3.26Å
561	D	90.2	Very high	87	Confident	97 Å²	97	78.3 Å²	78.3	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-78.4	-18	-179.6	-73.9	-23.7	0	0	0	112.2	D559 R564 K565	D559-D561 PolarHBondContact O-N 3.17Å; D559-D561 PolarHBondContact OD1-N 2.91Å; D561-R564 IonicContact OD1-NH1 2.65Å; D561-R564 PolarHBondContact OD1-NH1 3.05Å; D561-K565 WeakPolarHBondContact O-CD 3.48Å; D561-K565 WeakPolarHBondContact O-CE 3.35Å; D561-K565 WeakPolarHBondContact O-CG 3.49Å; D561-K565 PolarHBondContact O-NZ 3.43Å
562	I	86.9	Confident	86.6	Confident	64 Å²	64	84.1 Å²	84.1	33%	0.328	43%	0.428	S	S	.	.	H	α-helix	trans	-81	-50.7	165.7	-60.6	179.9	0	0	0	109.5	E280 D559 E560 R564 K565	E280-I562 HydrophobicContact CB-CG2 3.68Å; D559-I562 HydrophobicContact CB-CB 4.15Å; D559-I562 HydrophobicContact CB-CD1 3.91Å; D559-I562 HydrophobicContact CB-CG1 3.95Å; D559-I562 PolarHBondContact O-N 3.28Å; D559-I562 VanDerWaalsContact O-N 3.08Å; D559-I562 PolarHBondContact OD1-N 2.75Å; E560-I562 VanDerWaalsContact C-N 3.31Å; I562-R564 VanDerWaalsContact C-N 3.3Å; I562-R564 PolarHBondContact O-N 2.8Å; I562-K565 WeakPolarHBondContact O-CB 3.28Å; I562-K565 PolarHBondContact O-N 3.46Å
563	V	88.8	Confident	86.2	Confident	25 Å²	25	82.8 Å²	82.8	15%	0.152	43%	0.43	C	S	.	.	H	α-helix	trans	-58.5	-39	-175.9	175.1	0	0	0	0	112.5	D317 D558 D559 E560 K565 I566	D317-V563 HydrophobicContact CB-CG1 3.8Å; D558-V563 HydrophobicContact CB-CG2 4.04Å; D559-V563 WeakPolarHBondContact O-CG2 3.49Å; D559-V563 PolarHBondContact O-N 3.44Å; E560-V563 PolarHBondContact O-N 2.96Å; V563-K565 PolarHBondContact O-N 3.3Å; V563-K565 VanDerWaalsContact O-N 3.15Å; V563-I566 WeakPolarHBondContact O-CB 3.46Å; V563-I566 PolarHBondContact O-N 3.08Å
564	R	89.4	Confident	85.9	Confident	172 Å²	172	80.2 Å²	80.2	65%	0.649	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.9	176	-71.6	166.5	-172.1	168.6	-0.4	115	E560 D561 I562	E560-R564 WeakPolarHBondContact O-CB 3.36Å; E560-R564 WeakPolarHBondContact O-CD 3.35Å; E560-R564 WeakPolarHBondContact O-CG 3.28Å; E560-R564 PolarHBondContact O-N 3.41Å; E560-R564 IonicContact OE2-CZ 3.79Å; E560-R564 IonicContact OE2-NE 2.85Å; E560-R564 IonicContact OE2-NH2 3.75Å; E560-R564 PolarHBondContact OE2-NH2 3.26Å; D561-R564 IonicContact OD1-NH1 2.65Å; D561-R564 PolarHBondContact OD1-NH1 3.05Å; I562-R564 VanDerWaalsContact C-N 3.3Å; I562-R564 PolarHBondContact O-N 2.8Å
565	K	87.8	Confident	86	Confident	164 Å²	164	78.7 Å²	78.7	71%	0.713	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-7.7	178.2	-62.9	174.1	-175.3	123.2	0	113.1	D561 I562 V563	D561-K565 WeakPolarHBondContact O-CD 3.48Å; D561-K565 WeakPolarHBondContact O-CE 3.35Å; D561-K565 WeakPolarHBondContact O-CG 3.49Å; D561-K565 PolarHBondContact O-NZ 3.43Å; I562-K565 WeakPolarHBondContact O-CB 3.28Å; I562-K565 PolarHBondContact O-N 3.46Å; V563-K565 PolarHBondContact O-N 3.3Å; V563-K565 VanDerWaalsContact O-N 3.15Å
566	I	85	Confident	86	Confident	28 Å²	28	79.3 Å²	79.3	14%	0.144	41%	0.409	C	S	.	.	S	Bend	trans	-78.9	122.3	-178.8	-58	177.6	0	0	0	108.4	K279 V563 Q568 F571	K279-I566 HydrophobicContact CB-CD1 3.78Å; K279-I566 HydrophobicContact CB-CG2 3.87Å; K279-I566 HydrophobicContact CD-CG2 4.08Å; V563-I566 WeakPolarHBondContact O-CB 3.46Å; V563-I566 PolarHBondContact O-N 3.08Å; I566-Q568 PolarHBondContact O-N 2.91Å; I566-Q568 PolarHBondContact O-NE2 3.35Å; I566-F571 HydrophobicContact CG2-CE2 3.86Å
567	D	84.9	Confident	86.1	Confident	83 Å²	83	77.8 Å²	77.8	44%	0.444	40%	0.398	S	S	.	.			trans	-70	116.3	170.6	-163.7	-33.6	0	0	0	108.7	S569 E570 F571	D567-S569 VanDerWaalsContact C-N 3.31Å; D567-S569 VanDerWaalsContact OD1-CB 3.31Å; D567-S569 WeakPolarHBondContact OD1-CB 3.44Å; D567-S569 PolarHBondContact OD1-N 3.13Å; D567-S569 PolarHBondContact OD1-OG 3.3Å; D567-E570 HydrophobicContact CB-CG 4.12Å; D567-F571 WeakPolarHBondContact O-CD2 3.42Å; D567-F571 VanDerWaalsContact O-CE2 3.32Å; D567-F571 WeakPolarHBondContact O-CE2 3.44Å
568	Q	85	Confident	86	Confident	69 Å²	69	73 Å²	73	32%	0.322	37%	0.367	S	S	.	.	S	Bend	trans	-79.5	-18.3	-178.7	-58.7	-61.9	-38.3	0	0	112.1	D317 I566 E570 F571	D317-Q568 PolarHBondContact O-NE2 3.31Å; I566-Q568 PolarHBondContact O-N 2.91Å; I566-Q568 PolarHBondContact O-NE2 3.35Å; Q568-E570 VanDerWaalsContact C-N 3.3Å; Q568-E570 PolarHBondContact O-N 3.48Å; Q568-F571 PolarHBondContact O-N 3.32Å
569	S	81.4	Confident	85.6	Confident	67 Å²	67	73.8 Å²	73.8	47%	0.469	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-70	-28	-177.6	69.2	0	0	0	0	112.7	D567 F571 E572	D567-S569 VanDerWaalsContact C-N 3.31Å; D567-S569 VanDerWaalsContact OD1-CB 3.31Å; D567-S569 WeakPolarHBondContact OD1-CB 3.44Å; D567-S569 PolarHBondContact OD1-N 3.13Å; D567-S569 PolarHBondContact OD1-OG 3.3Å; S569-F571 PolarHBondContact O-N 3.03Å; S569-F571 VanDerWaalsContact O-N 3.13Å; S569-E572 PolarHBondContact O-N 3.08Å
570	E	80.6	Confident	84.7	Confident	74 Å²	74	74.4 Å²	74.4	35%	0.346	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-61.7	-18.4	174.3	-63.7	179.7	156	0	0	113.3	I288 D567 Q568	I288-E570 HydrophobicContact CD1-CB 3.97Å; I288-E570 VanDerWaalsContact CD1-CD 3.45Å; I288-E570 HydrophobicContact CD1-CG 3.9Å; D567-E570 HydrophobicContact CB-CG 4.12Å; Q568-E570 VanDerWaalsContact C-N 3.3Å; Q568-E570 PolarHBondContact O-N 3.48Å
571	F	83.4	Confident	83.5	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.035	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-113.4	8.2	-177.8	-50.7	-78.8	0	0	0	113.4	K279 V282 Q315 L320 I566 D567 Q568 S569 G573 F574	K279-F571 HydrophobicContact CB-CE2 4.3Å; K279-F571 HydrophobicContact CB-CZ 4.16Å; K279-F571 HydrophobicContact CD-CD2 3.85Å; K279-F571 HydrophobicContact CD-CE2 3.87Å; K279-F571 HydrophobicContact CD-CG 4.26Å; K279-F571 HydrophobicContact CD-CZ 4.29Å; K279-F571 HydrophobicContact CG-CD1 4.48Å; K279-F571 HydrophobicContact CG-CD2 4.32Å; K279-F571 HydrophobicContact CG-CE1 4.14Å; K279-F571 HydrophobicContact CG-CE2 3.98Å; K279-F571 HydrophobicContact CG-CZ 3.88Å; V282-F571 HydrophobicContact CB-CE1 4.26Å; V282-F571 HydrophobicContact CB-CZ 4.1Å; V282-F571 HydrophobicContact CG1-CE1 3.9Å; V282-F571 HydrophobicContact CG1-CZ 3.91Å; Q315-F571 PolarHBondContact NE2-O 3.38Å; L320-F571 HydrophobicContact CD1-CD1 3.87Å; L320-F571 HydrophobicContact CD1-CE1 3.92Å; L320-F571 HydrophobicContact CD2-CB 4.39Å; L320-F571 HydrophobicContact CD2-CD1 3.81Å; L320-F571 HydrophobicContact CD2-CE1 4.47Å; L320-F571 HydrophobicContact CD2-CG 4.27Å; L320-F571 HydrophobicContact CG-CD1 4.3Å; I566-F571 HydrophobicContact CG2-CE2 3.86Å; D567-F571 WeakPolarHBondContact O-CD2 3.42Å; D567-F571 VanDerWaalsContact O-CE2 3.32Å; D567-F571 WeakPolarHBondContact O-CE2 3.44Å; Q568-F571 PolarHBondContact O-N 3.32Å; S569-F571 PolarHBondContact O-N 3.03Å; S569-F571 VanDerWaalsContact O-N 3.13Å; F571-G573 PolarHBondContact O-N 3.42Å; F571-F574 VanDerWaalsContact O-CB 3.27Å; F571-F574 WeakPolarHBondContact O-CB 3.28Å; F571-F574 PolarHBondContact O-N 3Å; F571-F574 VanDerWaalsContact O-N 3.16Å
572	E	80.7	Confident	81.9	Confident	159 Å²	159	69.6 Å²	69.6	74%	0.743	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	132	174.8	-78	-176.5	-167	0	0	111.2	S569 F574	S569-E572 PolarHBondContact O-N 3.08Å; E572-F574 VanDerWaalsContact C-N 3.33Å
573	G	81.7	Confident	80.4	Confident	54 Å²	54	69.8 Å²	69.8	56%	0.557	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	12.3	-175.7	0	0	0	0	0	114.4	K295 F571 E575	K295-G573 PolarHBondContact NZ-O 2.84Å; F571-G573 PolarHBondContact O-N 3.42Å; G573-E575 PolarHBondContact O-N 2.85Å
574	F	86.4	Confident	78.7	Confident	13 Å²	13	71.2 Å²	71.2	6%	0.057	38%	0.377	C	S	.	.			trans	-62.8	-28.3	169.3	-175.4	-100.5	0	0	0	112.2	V291 K295 C313 F314 Q315 L320 F322 F571 E572 Y576	V291-F574 HydrophobicContact CG1-CD2 4.09Å; V291-F574 HydrophobicContact CG1-CE2 3.74Å; K295-F574 VanDerWaalsContact NZ-C 3.3Å; K295-F574 PolarHBondContact NZ-O 3.47Å; C313-F574 HydrophobicContact CB-CD1 4.06Å; C313-F574 HydrophobicContact CB-CE1 3.62Å; C313-F574 HydrophobicContact CB-CZ 3.91Å; C313-F574 VanDerWaalsContact CB-O 3.25Å; C313-F574 WeakPolarHBondContact CB-O 3.34Å; F314-F574 VanDerWaalsContact O-CE1 3.27Å; F314-F574 WeakPolarHBondContact O-CE1 3.31Å; Q315-F574 HydrophobicContact CB-CD1 4.17Å; L320-F574 HydrophobicContact CB-CE1 3.91Å; L320-F574 HydrophobicContact CB-CE2 4.35Å; L320-F574 HydrophobicContact CB-CZ 3.81Å; L320-F574 HydrophobicContact CD1-CD2 4.39Å; L320-F574 HydrophobicContact CD1-CE2 4.13Å; L320-F574 HydrophobicContact CD1-CZ 4.42Å; L320-F574 HydrophobicContact CD2-CD1 3.85Å; L320-F574 HydrophobicContact CD2-CD2 4.17Å; L320-F574 HydrophobicContact CD2-CE1 4.07Å; L320-F574 HydrophobicContact CD2-CE2 4.39Å; L320-F574 HydrophobicContact CD2-CG 3.91Å; L320-F574 HydrophobicContact CD2-CZ 4.35Å; L320-F574 HydrophobicContact CG-CZ 4.43Å; F322-F574 HydrophobicContact CD1-CZ 4.24Å; F322-F574 HydrophobicContact CD2-CZ 4.2Å; F322-F574 AromaticContact CE1-CE2 3.96Å; F322-F574 HydrophobicContact CE1-CE2 3.96Å; F322-F574 AromaticContact CE1-CZ 3.83Å; F322-F574 HydrophobicContact CE1-CZ 3.83Å; F322-F574 HydrophobicContact CE2-CE2 4.23Å; F322-F574 AromaticContact CE2-CZ 3.78Å; F322-F574 HydrophobicContact CE2-CZ 3.78Å; F322-F574 HydrophobicContact CG-CZ 4.42Å; F322-F574 AromaticContact CZ-CE2 3.66Å; F322-F574 HydrophobicContact CZ-CE2 3.66Å; F322-F574 AromaticContact CZ-CZ 3.59Å; F322-F574 HydrophobicContact CZ-CZ 3.59Å; F571-F574 VanDerWaalsContact O-CB 3.27Å; F571-F574 WeakPolarHBondContact O-CB 3.28Å; F571-F574 PolarHBondContact O-N 3Å; F571-F574 VanDerWaalsContact O-N 3.16Å; E572-F574 VanDerWaalsContact C-N 3.33Å; F574-Y576 PolarHBondContact O-N 3.35Å
575	E	87.8	Confident	77	Confident	84 Å²	84	64.2 Å²	64.2	39%	0.393	35%	0.351	S	S	.	.			trans	-54.3	137.8	177.1	-65.3	69.3	-152.6	0	0	112	K295 C313 Q315 G573	K295-E575 PolarHBondContact NZ-O 3.2Å; C313-E575 WeakPolarHBondContact O-CA 3.32Å; Q315-E575 VanDerWaalsContact CG-OE1 3.28Å; Q315-E575 WeakPolarHBondContact CG-OE1 3.16Å; Q315-E575 PolarHBondContact NE2-OE1 3.05Å; G573-E575 PolarHBondContact O-N 2.85Å
576	Y	88.4	Confident	75	Confident	47 Å²	47	62.8 Å²	62.8	18%	0.184	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	144.9	175.9	174.1	-97.5	0	0	0	109.7	E299 L310 S312 C313 F574 N578	E299-Y576 HydrophobicContact CG-CD2 4.23Å; E299-Y576 HydrophobicContact CG-CE1 4.2Å; E299-Y576 HydrophobicContact CG-CE2 3.75Å; E299-Y576 VanDerWaalsContact OE1-CD2 3.27Å; E299-Y576 WeakPolarHBondContact OE1-CD2 3.29Å; L310-Y576 HydrophobicContact CD2-CD1 3.51Å; L310-Y576 HydrophobicContact CD2-CE1 3.6Å; L310-Y576 HydrophobicContact CD2-CG 4.42Å; L310-Y576 HydrophobicContact CG-CD1 4.12Å; L310-Y576 HydrophobicContact CG-CE1 4.07Å; S312-Y576 CarbonylContact C-O 3.43Å; S312-Y576 WeakPolarHBondContact CA-O 3.38Å; S312-Y576 WeakPolarHBondContact CB-O 3.47Å; C313-Y576 PolarHBondContact N-O 3.34Å; C313-Y576 PolarHBondContact O-N 2.78Å; F574-Y576 PolarHBondContact O-N 3.35Å; Y576-N578 HydrophobicContact CE1-CB 3.77Å
577	I	87	Confident	72.7	Confident	41 Å²	41	66.9 Å²	66.9	21%	0.21	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.1	165.1	-50.6	177.3	0	0	0	106.8	L241 P579 M582	L241-I577 HydrophobicContact CD1-CD1 4.21Å; L241-I577 HydrophobicContact CD1-CG1 4.44Å; L241-I577 HydrophobicContact CG-CD1 4.09Å; I577-P579 VanDerWaalsContact O-CD 3.31Å; I577-P579 WeakPolarHBondContact O-CD 3.35Å; I577-M582 HydrophobicContact CB-SD 4.45Å; I577-M582 HydrophobicContact CG2-CG 3.62Å; I577-M582 HydrophobicContact CG2-SD 3.61Å
578	N	84.3	Confident	70.3	Confident	5 Å²	5	71.1 Å²	71.1	3%	0.027	41%	0.406	C	S	.	.			trans	-68.4	114	-176.9	-174.6	-28.9	0	0	0	110.2	L310 H311 Y576 L580 L581 M582	L310-N578 VanDerWaalsContact O-CB 3.31Å; L310-N578 WeakPolarHBondContact O-CB 3.29Å; L310-N578 PolarHBondContact O-ND2 2.98Å; H311-N578 WeakPolarHBondContact O-CB 3.49Å; H311-N578 PolarHBondContact O-N 3.21Å; Y576-N578 HydrophobicContact CE1-CB 3.77Å; N578-L580 PolarHBondContact O-N 3.32Å; N578-L580 WeakPolarHBondContact OD1-CB 3.48Å; N578-L580 PolarHBondContact OD1-N 3.26Å; N578-L581 HydrophobicContact CB-CB 4.2Å; N578-L581 HydrophobicContact CB-CD1 4.04Å; N578-L581 HydrophobicContact CB-CG 4.31Å; N578-L581 PolarHBondContact O-N 2.86Å; N578-L581 PolarHBondContact OD1-N 3.29Å; N578-M582 PolarHBondContact O-N 2.64Å; N578-M582 VanDerWaalsContact O-N 3.14Å
579	P	78.3	Confident	69.6	Low	88 Å²	88	71.3 Å²	71.3	57%	0.571	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-25.8	-174.3	28.1	-35.1	0	0	0	112.6	I577 S583	I577-P579 VanDerWaalsContact O-CD 3.31Å; I577-P579 WeakPolarHBondContact O-CD 3.35Å; P579-S583 PolarHBondContact O-N 3.28Å
580	L	70.1	Confident	68.9	Low	94 Å²	94	71.5 Å²	71.5	49%	0.492	41%	0.407	S	S	.	.	H	α-helix	trans	-73.9	-44.8	179.8	-59.4	174.4	0	0	0	110.5	N303 N578 S583	N303-L580 WeakPolarHBondContact OD1-CD1 3.37Å; N578-L580 PolarHBondContact O-N 3.32Å; N578-L580 WeakPolarHBondContact OD1-CB 3.48Å; N578-L580 PolarHBondContact OD1-N 3.26Å; L580-S583 PolarHBondContact O-N 3.48Å; L580-S583 PolarHBondContact O-OG 2.97Å
581	L	65.4	Low	68.3	Low	65 Å²	65	71.3 Å²	71.3	34%	0.34	41%	0.41	S	S	.	.	H	α-helix	trans	-65.2	-43.3	177.3	-69.9	172	0	0	0	111.5	L310 H311 N578 S583 A584 E585	L310-L581 WeakPolarHBondContact O-CD1 3.33Å; H311-L581 HydrophobicContact CB-CD1 4.18Å; N578-L581 HydrophobicContact CB-CB 4.2Å; N578-L581 HydrophobicContact CB-CD1 4.04Å; N578-L581 HydrophobicContact CB-CG 4.31Å; N578-L581 PolarHBondContact O-N 2.86Å; N578-L581 PolarHBondContact OD1-N 3.29Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 2.68Å; L581-A584 PolarHBondContact O-N 2.98Å; L581-E585 WeakPolarHBondContact O-CG 3.4Å; L581-E585 PolarHBondContact O-N 3.02Å; L581-E585 VanDerWaalsContact O-N 3.15Å
582	M	57.7	Low	67.4	Low	58 Å²	58	75.1 Å²	75.1	29%	0.286	43%	0.432	S	S	.	.	H	α-helix	trans	-53.2	-43.5	175.1	-74.2	-146.5	72.4	0	0	113	I577 N578 A584 E585 E586	I577-M582 HydrophobicContact CB-SD 4.45Å; I577-M582 HydrophobicContact CG2-CG 3.62Å; I577-M582 HydrophobicContact CG2-SD 3.61Å; N578-M582 PolarHBondContact O-N 2.64Å; N578-M582 VanDerWaalsContact O-N 3.14Å; M582-A584 PolarHBondContact O-N 2.87Å; M582-E585 PolarHBondContact O-N 3.01Å; M582-E586 PolarHBondContact O-N 3.42Å
583	S	54	Low	66.6	Low	68 Å²	68	69.8 Å²	69.8	48%	0.476	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-29.3	179.5	75.3	0	0	0	0	113.4	P579 L580 L581 C587	P579-S583 PolarHBondContact O-N 3.28Å; L580-S583 PolarHBondContact O-N 3.48Å; L580-S583 PolarHBondContact O-OG 2.97Å; L581-S583 VanDerWaalsContact C-N 3.28Å; L581-S583 PolarHBondContact O-N 2.68Å; S583-C587 PolarHBondContact O-SG 3.15Å
584	A	52.7	Low	65.6	Low	55 Å²	55	70.9 Å²	70.9	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-88	-6.3	175.2	0	0	0	0	0	113.9	R270 L581 M582	R270-A584 PolarHBondContact NH2-O 2.83Å; L581-A584 PolarHBondContact O-N 2.98Å; M582-A584 PolarHBondContact O-N 2.87Å
585	E	55.2	Low	64.1	Low	25 Å²	25	75 Å²	75	12%	0.117	43%	0.428	C	S	.	.	H	α-helix	trans	-97.1	-35	172.6	-42.1	-127	140.7	0	0	111.3	T268 R270 Y272 L581 M582 C587	T268-E585 WeakPolarHBondContact CG2-OE2 3.33Å; T268-E585 PolarHBondContact OG1-OE2 3.05Å; R270-E585 WeakPolarHBondContact CD-OE1 3.49Å; R270-E585 IonicContact CZ-OE1 3.43Å; R270-E585 IonicContact NE-OE1 3.59Å; R270-E585 IonicContact NH1-OE1 2.68Å; R270-E585 PolarHBondContact NH1-OE1 3.41Å; Y272-E585 PolarHBondContact OH-OE1 2.78Å; L581-E585 WeakPolarHBondContact O-CG 3.4Å; L581-E585 PolarHBondContact O-N 3.02Å; L581-E585 VanDerWaalsContact O-N 3.15Å; M582-E585 PolarHBondContact O-N 3.01Å; E585-C587 VanDerWaalsContact C-N 3.29Å; E585-C587 PolarHBondContact O-N 3.27Å
586	E	45.5	Very low	62.3	Low	134 Å²	134	74.3 Å²	74.3	63%	0.626	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.5	178.8	-65.2	-169.6	155.2	0	0	114	M582	M582-E586 PolarHBondContact O-N 3.42Å
587	C	37.1	Very low	60.1	Low	113 Å²	113	76.6 Å²	76.6	76%	0.764	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	16.3	176.2	-69.4	0	0	0	0	114.4	S583 E585	S583-C587 PolarHBondContact O-SG 3.15Å; E585-C587 VanDerWaalsContact C-N 3.29Å; E585-C587 PolarHBondContact O-N 3.27Å
588	V	33.8	Very low	57.6	Low	173 Å²	173	79.8 Å²	79.8	100%	1.048	47%	0.473	S	S	*	.			trans	-113.7	0	-179.7	-176	0	0	0	0	111.1

Retrieved 588 of 588 residues in 1304.2 ms (Link to these results)

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