A0A096N6I7_PAPAN Loading...

PiggyBac transposable element-derived protein domain-containing protein

AlphaFold DB (A0A2K6A111), UniProt , Accession A0A096N6I7, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 592 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.2	Very low	27	Very low	251 Å²	251	145.5 Å²	145.5	100%	1.236	87%	0.872	S	S	*	*				0	101.2	0	-72.2	-164.9	-170.4	0	0	108.9
2	A	28.6	Very low	27.1	Very low	102 Å²	102	154.2 Å²	154.2	84%	0.843	88%	0.878	S	S	*	*			trans	179.6	150.5	171.5	0	0	0	0	0	103.5
3	S	23.7	Very low	26.8	Very low	114 Å²	114	147.5 Å²	147.5	80%	0.797	86%	0.864	S	S	*	*			cis	-161.9	177.8	26.7	63	0	0	0	0	111
4	T	29.2	Very low	26.8	Very low	131 Å²	131	148.9 Å²	148.9	80%	0.804	86%	0.863	S	S	*	*			trans	-66.9	150.5	-173.7	47.8	0	0	0	0	118.8
5	S	24.4	Very low	26.7	Very low	122 Å²	122	150.9 Å²	150.9	85%	0.853	86%	0.861	S	S	*	*				-162.8	148.5	124.7	67.8	0	0	0	0	112.3
6	R	25.5	Very low	26.7	Very low	236 Å²	236	147.8 Å²	147.8	89%	0.891	85%	0.851	S	S	*	*			trans	-96.2	140.5	-179.5	-75.2	170.5	166.1	165.4	-5.5	109.7
7	D	24.5	Very low	26.8	Very low	171 Å²	171	150.1 Å²	150.1	91%	0.914	85%	0.849	S	S	*	*			trans	-106.1	131.3	161.4	-84.8	-34.3	0	0	0	110.8
8	V	26.1	Very low	27.2	Very low	135 Å²	135	147.7 Å²	147.7	82%	0.818	84%	0.838	S	S	*	*			trans	-117.7	137	176.4	171.8	0	0	0	0	108.9
9	I	28.8	Very low	27.9	Very low	166 Å²	166	149.5 Å²	149.5	85%	0.851	84%	0.835	S	S	*	*			trans	-55.4	138	176.9	-62.6	161.3	0	0	0	112.1
10	A	25.6	Very low	29.3	Very low	98 Å²	98	145.5 Å²	145.5	81%	0.81	82%	0.818	S	S	*	*			trans	-126.7	110.1	163.8	0	0	0	0	0	110.7
11	G	24.8	Very low	31.2	Very low	75 Å²	75	140.1 Å²	140.1	77%	0.773	79%	0.792	S	S	*	*			trans	-70.2	144.2	171.7	0	0	0	0	0	112.2	G13	G11-G13 PolarHBondContact O-N 3.01Å
12	R	27.4	Very low	32.9	Very low	249 Å²	249	132.9 Å²	132.9	94%	0.94	75%	0.753	S	S	*	*			trans	-75.2	112.6	173.3	-75.5	180	178.2	-173.7	-0.4	109.7
13	G	23.6	Very low	35	Very low	68 Å²	68	128 Å²	128	70%	0.701	71%	0.713	S	S	*	*			trans	-72.2	126	166.8	0	0	0	0	0	111.2	G11 H15	G11-G13 PolarHBondContact O-N 3.01Å; G13-H15 PolarHBondContact O-N 3.5Å
14	I	26.9	Very low	37.1	Very low	166 Å²	166	126.1 Å²	126.1	85%	0.851	69%	0.694	S	S	*	*			trans	-80.7	103.7	167.3	-63.8	171.9	0	0	0	107
15	H	25.1	Very low	39.1	Very low	179 Å²	179	124.9 Å²	124.9	83%	0.829	68%	0.679	S	S	*	*			trans	-94.6	105.7	159.9	-81.1	-67.8	0	0	0	108	G13 K17	G13-H15 PolarHBondContact O-N 3.5Å; H15-K17 VanDerWaalsContact C-N 3.32Å; H15-K17 PolarHBondContact O-N 2.98Å
16	S	27.1	Very low	41.3	Very low	101 Å²	101	120.4 Å²	120.4	71%	0.706	65%	0.646	S	S	*	*			trans	-74.6	88.1	167	56.9	0	0	0	0	109.3	V18	S16-V18 PolarHBondContact O-N 2.95Å; S16-V18 VanDerWaalsContact O-N 3.14Å
17	K	27.6	Very low	43.3	Very low	188 Å²	188	110.1 Å²	110.1	82%	0.817	61%	0.609	S	S	*	*			trans	-67.3	104	152.9	-81	-179.2	176	177	0	106.2	H15 K19	H15-K17 VanDerWaalsContact C-N 3.32Å; H15-K17 PolarHBondContact O-N 2.98Å; K17-K19 PolarHBondContact O-N 2.77Å
18	V	34.1	Very low	45.4	Very low	106 Å²	106	105.5 Å²	105.5	64%	0.642	58%	0.584	S	S	*	*			trans	-60.9	100.7	173.3	-178.6	0	0	0	0	107.7	S16	S16-V18 PolarHBondContact O-N 2.95Å; S16-V18 VanDerWaalsContact O-N 3.14Å
19	K	41.8	Very low	47.2	Very low	183 Å²	183	101.1 Å²	101.1	80%	0.796	56%	0.562	S	S	*	*			trans	-78.2	134.6	165.8	-72.9	-178	178.3	179.7	0	106.7	K17 A21	K17-K19 PolarHBondContact O-N 2.77Å; K19-A21 PolarHBondContact O-N 2.93Å; K19-A21 VanDerWaalsContact O-N 3.09Å
20	S	55.7	Low	48.7	Very low	69 Å²	69	94.6 Å²	94.6	48%	0.483	53%	0.528	S	S	.	.			trans	-54.4	115.1	166	51.2	0	0	0	0	108.7
21	A	67.8	Low	50.2	Low	33 Å²	33	94.8 Å²	94.8	27%	0.273	51%	0.512	S	S	.	.			trans	-83.9	145.4	174.2	0	0	0	0	0	109.4	K19 V26 V79	K19-A21 PolarHBondContact O-N 2.93Å; K19-A21 VanDerWaalsContact O-N 3.09Å; A21-V26 HydrophobicContact CB-CG2 3.7Å; A21-V79 PolarHBondContact O-N 2.74Å
22	K	73.3	Confident	51.5	Low	99 Å²	99	99 Å²	99	43%	0.43	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-71.1	149.5	172.2	-69.9	-179.5	177.6	178.4	0	109.5	L24 E25 V26	K22-L24 PolarHBondContact O-N 3.48Å; K22-E25 HydrophobicContact CB-CG 4.15Å; K22-E25 PolarHBondContact N-OE2 3.09Å; K22-E25 WeakPolarHBondContact O-CB 3.49Å; K22-E25 PolarHBondContact O-N 3.34Å; K22-V26 PolarHBondContact O-N 2.97Å; K22-V26 VanDerWaalsContact O-N 3.07Å
23	L	71.3	Confident	52.6	Low	0 Å²	0	94.3 Å²	94.3	0%	0	50%	0.501	C	S	.	.	H	α-helix	trans	-53.2	-40.3	176.9	178.6	61.8	0	0	0	112.3	E25 V26 L27 I44 L70 V74 A77 V79 L292	L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 2.9Å; L23-V26 PolarHBondContact O-N 3.09Å; L23-L27 HydrophobicContact CD1-CD1 4.17Å; L23-L27 HydrophobicContact CD1-CG 4.02Å; L23-L27 HydrophobicContact CD2-CD1 4.47Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.22Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.22Å; L23-L27 PolarHBondContact O-N 3.05Å; L23-I44 HydrophobicContact CD1-CD1 4.24Å; L23-I44 HydrophobicContact CD1-CG1 4.29Å; L23-I44 HydrophobicContact CD2-CD1 3.72Å; L23-I44 HydrophobicContact CD2-CG1 4.32Å; L23-L70 HydrophobicContact CD2-CD1 4.35Å; L23-V74 HydrophobicContact CD2-CG1 4.04Å; L23-V74 VanDerWaalsContact CD2-O 3.32Å; L23-V74 WeakPolarHBondContact CD2-O 3.45Å; L23-A77 PolarHBondContact N-O 2.64Å; L23-V79 VanDerWaalsContact CA-CG2 3.48Å; L23-V79 HydrophobicContact CB-CG2 3.89Å; L23-V79 HydrophobicContact CD1-CG2 3.74Å; L23-V79 HydrophobicContact CG-CG2 4.44Å; L23-L292 HydrophobicContact CD1-CD2 3.53Å; L23-L292 HydrophobicContact CD2-CD2 4.43Å
24	L	69.7	Low	53.6	Low	74 Å²	74	98 Å²	98	39%	0.387	50%	0.5	S	S	.	.	H	α-helix	trans	-59.6	-40.5	175.6	-174.7	62.9	0	0	0	113	K22 L27 N28 L75	K22-L24 PolarHBondContact O-N 3.48Å; L24-L27 PolarHBondContact O-N 3.16Å; L24-N28 WeakPolarHBondContact O-CB 3.48Å; L24-N28 PolarHBondContact O-N 2.92Å; L24-N28 PolarHBondContact O-ND2 2.88Å; L24-N28 PolarHBondContact O-OD1 2.93Å; L24-L75 HydrophobicContact CD1-CD2 4.39Å; L24-L75 PolarHBondContact N-O 2.89Å; L24-L75 VanDerWaalsContact N-O 3.16Å
25	E	70.9	Confident	54.1	Low	105 Å²	105	94.7 Å²	94.7	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-68	-41.9	179.2	-65.5	165.3	-176.8	0	0	111	K22 L23 N28 A29	K22-E25 HydrophobicContact CB-CG 4.15Å; K22-E25 PolarHBondContact N-OE2 3.09Å; K22-E25 WeakPolarHBondContact O-CB 3.49Å; K22-E25 PolarHBondContact O-N 3.34Å; L23-E25 VanDerWaalsContact C-N 3.32Å; L23-E25 PolarHBondContact O-N 2.9Å; E25-N28 PolarHBondContact O-N 3.34Å; E25-A29 WeakPolarHBondContact O-CB 3.23Å; E25-A29 PolarHBondContact O-N 2.75Å
26	V	70.2	Confident	54.7	Low	27 Å²	27	92.5 Å²	92.5	16%	0.164	49%	0.485	C	S	.	.	H	α-helix	trans	-64.3	-45.4	175.9	177.1	0	0	0	0	110.8	A21 K22 L23 N28 A29 M30 I42 V79	A21-V26 HydrophobicContact CB-CG2 3.7Å; K22-V26 PolarHBondContact O-N 2.97Å; K22-V26 VanDerWaalsContact O-N 3.07Å; L23-V26 PolarHBondContact O-N 3.09Å; V26-N28 VanDerWaalsContact C-N 3.29Å; V26-N28 PolarHBondContact O-N 3.32Å; V26-A29 PolarHBondContact O-N 3.36Å; V26-M30 HydrophobicContact CG1-CG 4.33Å; V26-M30 HydrophobicContact CG1-SD 4Å; V26-M30 WeakPolarHBondContact O-CB 3.45Å; V26-M30 WeakPolarHBondContact O-CG 3.45Å; V26-M30 PolarHBondContact O-N 2.81Å; V26-I42 HydrophobicContact CG1-CD1 4.2Å; V26-V79 HydrophobicContact CB-CG2 4.23Å; V26-V79 HydrophobicContact CG2-CB 3.94Å; V26-V79 HydrophobicContact CG2-CG1 4.13Å; V26-V79 HydrophobicContact CG2-CG2 3.86Å
27	L	67.8	Low	55.2	Low	21 Å²	21	92.3 Å²	92.3	11%	0.11	48%	0.484	C	S	.	.	H	α-helix	trans	-61.3	-37.5	177.3	-71.3	174.8	0	0	0	112.2	L23 L24 E31 L70 L292	L23-L27 HydrophobicContact CD1-CD1 4.17Å; L23-L27 HydrophobicContact CD1-CG 4.02Å; L23-L27 HydrophobicContact CD2-CD1 4.47Å; L23-L27 HydrophobicContact CG-CD1 3.91Å; L23-L27 HydrophobicContact CG-CG 4.22Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 VanDerWaalsContact O-CG 3.24Å; L23-L27 WeakPolarHBondContact O-CG 3.22Å; L23-L27 PolarHBondContact O-N 3.05Å; L24-L27 PolarHBondContact O-N 3.16Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.06Å; L27-L70 HydrophobicContact CD1-CD1 4.42Å; L27-L292 HydrophobicContact CD2-CD2 4.37Å
28	N	67.3	Low	55.7	Low	74 Å²	74	89.8 Å²	89.8	40%	0.396	48%	0.48	S	S	.	.	H	α-helix	trans	-72	-43.2	176	-68.1	-8.4	0	0	0	111.7	L24 E25 V26 M30 E31 E32	L24-N28 WeakPolarHBondContact O-CB 3.48Å; L24-N28 PolarHBondContact O-N 2.92Å; L24-N28 PolarHBondContact O-ND2 2.88Å; L24-N28 PolarHBondContact O-OD1 2.93Å; E25-N28 PolarHBondContact O-N 3.34Å; V26-N28 VanDerWaalsContact C-N 3.29Å; V26-N28 PolarHBondContact O-N 3.32Å; N28-M30 VanDerWaalsContact C-N 3.32Å; N28-M30 PolarHBondContact O-N 2.89Å; N28-E31 WeakPolarHBondContact O-CA 3.22Å; N28-E31 WeakPolarHBondContact O-CB 3.38Å; N28-E31 PolarHBondContact O-N 2.67Å; N28-E32 PolarHBondContact O-N 3.13Å
29	A	63.7	Low	56.2	Low	42 Å²	42	93.2 Å²	93.2	35%	0.347	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-38.1	177.5	0	0	0	0	0	112.2	E25 V26 E31 E32 E33	E25-A29 WeakPolarHBondContact O-CB 3.23Å; E25-A29 PolarHBondContact O-N 2.75Å; V26-A29 PolarHBondContact O-N 3.36Å; A29-E31 PolarHBondContact O-N 2.93Å; A29-E32 PolarHBondContact O-N 2.87Å; A29-E33 PolarHBondContact O-N 3.26Å
30	M	61.6	Low	56.9	Low	30 Å²	30	88.9 Å²	88.9	15%	0.148	46%	0.464	C	S	.	.	H	α-helix	trans	-66.2	-23	173.3	-69.3	177.3	80.5	0	0	113.3	V26 N28 E32 E40 I42 L284 V290	V26-M30 HydrophobicContact CG1-CG 4.33Å; V26-M30 HydrophobicContact CG1-SD 4Å; V26-M30 WeakPolarHBondContact O-CB 3.45Å; V26-M30 WeakPolarHBondContact O-CG 3.45Å; V26-M30 PolarHBondContact O-N 2.81Å; N28-M30 VanDerWaalsContact C-N 3.32Å; N28-M30 PolarHBondContact O-N 2.89Å; M30-E32 VanDerWaalsContact C-N 3.31Å; M30-E40 WeakPolarHBondContact CE-OE2 3.45Å; M30-I42 HydrophobicContact CE-CD1 4.11Å; M30-I42 HydrophobicContact SD-CD1 3.51Å; M30-I42 VanDerWaalsContact SD-CD1 3.51Å; M30-L284 HydrophobicContact CB-CD1 4.45Å; M30-V290 HydrophobicContact CE-CG1 4.16Å; M30-V290 HydrophobicContact CE-CG2 3.6Å
31	E	57	Low	57.2	Low	102 Å²	102	90.5 Å²	90.5	48%	0.477	46%	0.464	S	S	.	.	H	α-helix	trans	-76.8	-21.5	172	-72.9	174	-174.2	0	0	111.8	L27 N28 A29 K282	L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.06Å; N28-E31 WeakPolarHBondContact O-CA 3.22Å; N28-E31 WeakPolarHBondContact O-CB 3.38Å; N28-E31 PolarHBondContact O-N 2.67Å; A29-E31 PolarHBondContact O-N 2.93Å; E31-K282 IonicContact OE1-NZ 3.96Å; E31-K282 PolarHBondContact OE1-NZ 3.31Å
32	E	51.8	Low	57.3	Low	164 Å²	164	89.5 Å²	89.5	77%	0.766	45%	0.454	S	S	*	.	H	α-helix	trans	-97.3	-23.5	-178	-66.4	178.5	-176.8	0	0	114.2	N28 A29 M30	N28-E32 PolarHBondContact O-N 3.13Å; A29-E32 PolarHBondContact O-N 2.87Å; M30-E32 VanDerWaalsContact C-N 3.31Å
33	E	49.8	Very low	57.3	Low	150 Å²	150	86 Å²	86	70%	0.701	44%	0.438	S	S	*	.			trans	-90.5	124.8	-177.6	-72.6	-169.5	171.8	0	0	114.7	A29	A29-E33 PolarHBondContact O-N 3.26Å
34	E	44.3	Very low	57.5	Low	145 Å²	145	86.1 Å²	86.1	68%	0.678	44%	0.439	S	S	*	.			trans	-90.2	7	-174	-76.8	-148.8	117.6	0	0	116.7	R286	E34-R286 PolarHBondContact O-NH1 3.34Å; E34-R286 PolarHBondContact O-NH2 2.86Å; E34-R286 IonicContact OE1-NH2 2.67Å; E34-R286 PolarHBondContact OE1-NH2 3.31Å
35	S	38.7	Very low	57.6	Low	97 Å²	97	82.6 Å²	82.6	68%	0.678	42%	0.421	S	S	*	.			trans	-157.5	109.3	-174.5	61.7	0	0	0	0	115.9
36	N	38.4	Very low	57.7	Low	132 Å²	132	77.6 Å²	77.6	71%	0.706	40%	0.397	S	S	*	.				-170.3	157.5	120.2	-116.9	-26.8	0	0	0	114.1	N38 K288	N36-N38 PolarHBondContact O-N 2.98Å; N36-K288 PolarHBondContact O-NZ 3.11Å
37	S	36.8	Very low	57.9	Low	97 Å²	97	76.5 Å²	76.5	68%	0.678	39%	0.391	S	S	*	.			trans	-96.3	62.3	-168.1	176.8	0	0	0	0	113.6
38	N	36.9	Very low	57.9	Low	136 Å²	136	79.9 Å²	79.9	73%	0.727	41%	0.409	S	S	*	.	S	Bend	trans	-146.7	156.8	167	-87	-33.1	0	0	0	112.2	N36 E40	N36-N38 PolarHBondContact O-N 2.98Å; N38-E40 PolarHBondContact O-N 3.31Å
39	R	45.8	Very low	58.2	Low	178 Å²	178	79.8 Å²	79.8	67%	0.672	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-68.6	118.4	164.3	-85.2	-178.4	171.1	179.6	-2.7	107.2
40	E	57.1	Low	58.5	Low	92 Å²	92	78 Å²	78	43%	0.43	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-91.8	129	175.6	-72.3	174.4	-172.8	0	0	109.9	M30 N38 V290 R291	M30-E40 WeakPolarHBondContact CE-OE2 3.45Å; N38-E40 PolarHBondContact O-N 3.31Å; E40-V290 WeakPolarHBondContact O-CG1 3.49Å; E40-R291 PolarHBondContact O-N 3.42Å
41	E	61.9	Low	59	Low	103 Å²	103	79 Å²	79	48%	0.481	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.5	171.1	-65.3	-169.4	166.7	0	0	107.8	M272 R291	E41-M272 HydrophobicContact CB-CE 4.09Å; E41-M272 HydrophobicContact CG-CE 4.4Å; E41-R291 WeakPolarHBondContact CA-O 3.32Å; E41-R291 HydrophobicContact CG-CB 4.4Å
42	I	68.8	Low	59.6	Low	12 Å²	12	74.7 Å²	74.7	6%	0.062	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.7	-176.9	-57.1	178.1	0	0	0	108.6	V26 M30 V79 V290 R291 L292 G293	V26-I42 HydrophobicContact CG1-CD1 4.2Å; M30-I42 HydrophobicContact CE-CD1 4.11Å; M30-I42 HydrophobicContact SD-CD1 3.51Å; M30-I42 VanDerWaalsContact SD-CD1 3.51Å; I42-V79 HydrophobicContact CG2-CG1 3.62Å; I42-V79 HydrophobicContact CG2-CG2 4.09Å; I42-V290 HydrophobicContact CD1-CG1 3.58Å; I42-V290 HydrophobicContact CG1-CG1 3.9Å; I42-R291 PolarHBondContact N-O 3.48Å; I42-L292 HydrophobicContact CB-CD2 4.32Å; I42-L292 HydrophobicContact CB-CG 4.17Å; I42-L292 HydrophobicContact CD1-CD2 4.4Å; I42-L292 HydrophobicContact CD1-CG 4.5Å; I42-L292 HydrophobicContact CG2-CD2 4.37Å; I42-L292 WeakPolarHBondContact O-CA 3.37Å; I42-G293 PolarHBondContact O-N 2.85Å
43	F	74.1	Confident	60.3	Low	24 Å²	24	74.4 Å²	74.4	11%	0.105	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.4	176.1	-57.6	-71.3	0	0	0	110.5	L80 E82 M272 K295	F43-L80 HydrophobicContact CB-CB 4.31Å; F43-L80 PolarHBondContact O-N 3.01Å; F43-E82 HydrophobicContact CD2-CG 3.7Å; F43-E82 VanDerWaalsContact CE2-CD 3.46Å; F43-E82 HydrophobicContact CE2-CG 3.66Å; F43-E82 WeakPolarHBondContact CE2-OE2 3.43Å; F43-M272 HydrophobicContact CD1-CE 4.05Å; F43-M272 HydrophobicContact CE1-CE 3.51Å; F43-M272 HydrophobicContact CZ-CE 4.24Å; F43-K295 HydrophobicContact CD1-CB 3.68Å; F43-K295 HydrophobicContact CD1-CD 3.97Å; F43-K295 HydrophobicContact CD1-CG 4.17Å; F43-K295 HydrophobicContact CE1-CB 4.1Å; F43-K295 HydrophobicContact CE1-CD 3.88Å; F43-K295 HydrophobicContact CE1-CG 4.11Å; F43-K295 HydrophobicContact CG-CB 4.47Å; F43-K295 HydrophobicContact CG-CD 4.43Å; F43-K295 HydrophobicContact CZ-CD 4.31Å
44	I	74.6	Confident	61	Low	3 Å²	3	71.7 Å²	71.7	2%	0.015	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.5	176.8	-53.5	164.4	0	0	0	107.4	L23 V74 A77 Y275 L292 G293 Y294	L23-I44 HydrophobicContact CD1-CD1 4.24Å; L23-I44 HydrophobicContact CD1-CG1 4.29Å; L23-I44 HydrophobicContact CD2-CD1 3.72Å; L23-I44 HydrophobicContact CD2-CG1 4.32Å; I44-V74 HydrophobicContact CG2-CG1 4.34Å; I44-A77 HydrophobicContact CG2-CB 3.38Å; I44-Y275 HydrophobicContact CD1-CD1 4.07Å; I44-L292 HydrophobicContact CD1-CB 3.88Å; I44-L292 HydrophobicContact CD1-CD2 3.87Å; I44-L292 HydrophobicContact CD1-CG 4.48Å; I44-G293 PolarHBondContact N-O 2.85Å; I44-Y294 VanDerWaalsContact O-CD1 3.28Å; I44-Y294 WeakPolarHBondContact O-CD1 3.36Å
45	A	71.9	Confident	62.3	Low	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-91.9	146.5	166.8	0	0	0	0	0	109.9	A77 S78 L80 R241	A45-A77 VanDerWaalsContact O-CB 3.28Å; A45-A77 WeakPolarHBondContact O-CB 3.35Å; A45-S78 PolarHBondContact N-O 3.27Å; A45-L80 HydrophobicContact CB-CD1 4.04Å; A45-L80 HydrophobicContact CB-CG 4.38Å; A45-R241 VanDerWaalsContact CB-NH2 3.27Å
46	P	73.8	Confident	63.9	Low	1 Å²	1	60.8 Å²	60.8	1%	0.006	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-61.1	170.3	178.9	30.4	-39.4	0	0	0	111.5	D48 R241 F242 Y294 W482	P46-D48 PolarHBondContact O-N 3.2Å; P46-R241 HydrophobicContact CG-CB 3.62Å; P46-R241 WeakPolarHBondContact CG-O 2.82Å; P46-R241 PolarHBondContact O-NE 3.02Å; P46-R241 PolarHBondContact O-NH2 2.78Å; P46-F242 HydrophobicContact CB-CE1 4.27Å; P46-F242 HydrophobicContact CB-CE2 4.49Å; P46-F242 HydrophobicContact CB-CZ 4.21Å; P46-F242 VanDerWaalsContact CD-CE2 3.4Å; P46-F242 HydrophobicContact CG-CD1 4.18Å; P46-F242 HydrophobicContact CG-CD2 3.67Å; P46-F242 HydrophobicContact CG-CE1 3.9Å; P46-F242 HydrophobicContact CG-CE2 3.34Å; P46-F242 HydrophobicContact CG-CG 4.07Å; P46-F242 HydrophobicContact CG-CZ 3.46Å; P46-F242 VanDerWaalsContact CG-CZ 3.46Å; P46-Y294 HydrophobicContact CB-CE1 4.2Å; P46-W482 HydrophobicContact CB-CD2 4.35Å; P46-W482 HydrophobicContact CB-CE3 3.89Å; P46-W482 HydrophobicContact CB-CH2 3.9Å; P46-W482 HydrophobicContact CB-CZ2 4.33Å; P46-W482 HydrophobicContact CB-CZ3 3.66Å
47	P	72.7	Confident	65.1	Low	4 Å²	4	60.7 Å²	60.7	3%	0.026	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-49.1	143.1	-177.1	-27.7	36.1	0	0	0	113.2	N49 T55 W482	P47-N49 PolarHBondContact O-N 2.73Å; P47-T55 HydrophobicContact CB-CG2 3.84Å; P47-T55 HydrophobicContact CG-CG2 4.01Å; P47-W482 HydrophobicContact CG-CG 4.18Å
48	D	69.5	Low	66.4	Low	91 Å²	91	59.1 Å²	59.1	49%	0.487	29%	0.293	S	S	.	.	S	Bend	trans	-63.7	-27.5	-176.9	-66.7	-20.9	0	0	0	112.6	P46 R241	P46-D48 PolarHBondContact O-N 3.2Å; D48-R241 IonicContact OD1-CZ 3.57Å; D48-R241 VanDerWaalsContact OD1-CZ 3.28Å; D48-R241 IonicContact OD1-NE 3.79Å; D48-R241 IonicContact OD1-NH1 2.85Å; D48-R241 IonicContact OD1-NH2 2.72Å; D48-R241 PolarHBondContact OD1-NH2 2.9Å
49	N	73.4	Confident	67.1	Low	73 Å²	73	54.6 Å²	54.6	39%	0.39	27%	0.272	S	S	.	.			trans	-122.9	101.5	171.6	-177.3	4.4	0	0	0	109.8	P47 A51 G52 T55	P47-N49 PolarHBondContact O-N 2.73Å; N49-A51 PolarHBondContact O-N 3.19Å; N49-A51 WeakPolarHBondContact OD1-CB 3.25Å; N49-A51 PolarHBondContact OD1-N 3.49Å; N49-G52 PolarHBondContact O-N 3.04Å; N49-T55 WeakPolarHBondContact O-CG2 3.03Å
50	A	70.4	Confident	67.4	Low	3 Å²	3	47.9 Å²	47.9	3%	0.025	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-12.6	176	0	0	0	0	0	113.1	A243 K244	A50-A243 HydrophobicContact CB-CB 4.09Å; A50-K244 WeakPolarHBondContact O-CE 3.18Å
51	A	71.9	Confident	67.3	Low	53 Å²	53	46.1 Å²	46.1	44%	0.438	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.6	178.7	0	0	0	0	0	114.1	N49 L236	N49-A51 PolarHBondContact O-N 3.19Å; N49-A51 WeakPolarHBondContact OD1-CB 3.25Å; N49-A51 PolarHBondContact OD1-N 3.49Å; A51-L236 HydrophobicContact CB-CB 4.38Å; A51-L236 HydrophobicContact CB-CD1 4.22Å
52	G	69.6	Low	66.7	Low	11 Å²	11	44 Å²	44	11%	0.113	24%	0.241	C	C	.	.			trans	-71.4	140.5	-178.1	0	0	0	0	0	113.4	N49 F54 T55	N49-G52 PolarHBondContact O-N 3.04Å; G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.33Å; G52-T55 WeakPolarHBondContact O-CB 3.3Å; G52-T55 PolarHBondContact O-N 3.17Å; G52-T55 PolarHBondContact O-OG1 3.45Å
53	E	65.1	Low	65.8	Low	158 Å²	158	46.4 Å²	46.4	74%	0.738	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.9	-35.9	-178.9	-65.7	-171.7	156.5	0	0	113.4	T55 D56	E53-T55 PolarHBondContact O-N 3.39Å; E53-T55 VanDerWaalsContact O-N 3.1Å; E53-D56 WeakPolarHBondContact O-CB 3.09Å; E53-D56 PolarHBondContact O-N 2.94Å
54	F	65.6	Low	64.6	Low	93 Å²	93	48.3 Å²	48.3	41%	0.408	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-64.3	-13.6	177.7	71.6	-87.6	0	0	0	113.9	G52 D56	G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.33Å; F54-D56 VanDerWaalsContact C-N 3.26Å
55	T	71.3	Confident	63	Low	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-79.8	-11.8	176.2	67.2	0	0	0	0	112.8	P47 N49 G52 E53 K244	P47-T55 HydrophobicContact CB-CG2 3.84Å; P47-T55 HydrophobicContact CG-CG2 4.01Å; N49-T55 WeakPolarHBondContact O-CG2 3.03Å; G52-T55 WeakPolarHBondContact O-CB 3.3Å; G52-T55 PolarHBondContact O-N 3.17Å; G52-T55 PolarHBondContact O-OG1 3.45Å; E53-T55 PolarHBondContact O-N 3.39Å; E53-T55 VanDerWaalsContact O-N 3.1Å; T55-K244 WeakPolarHBondContact OG1-CE 3.09Å; T55-K244 PolarHBondContact OG1-NZ 2.99Å
56	D	71.6	Confident	61.4	Low	12 Å²	12	68.8 Å²	68.8	6%	0.064	36%	0.356	C	S	.	.	S	Bend	trans	-99.6	-9.4	177.6	-83.7	-29.5	0	0	0	114.1	E53 F54 D58 Y164 H229 N233 K244 K481 Y483	E53-D56 WeakPolarHBondContact O-CB 3.09Å; E53-D56 PolarHBondContact O-N 2.94Å; F54-D56 VanDerWaalsContact C-N 3.26Å; D56-D58 PolarHBondContact O-N 3Å; D56-Y164 HydrophobicContact CB-CE2 4.28Å; D56-Y164 VanDerWaalsContact CB-OH 3.3Å; D56-Y164 WeakPolarHBondContact CB-OH 3.3Å; D56-H229 IonicContact OD1-CE1 3.67Å; D56-N233 PolarHBondContact OD2-ND2 3.34Å; D56-K244 IonicContact OD1-NZ 2.7Å; D56-K244 PolarHBondContact OD1-NZ 2.9Å; D56-K244 IonicContact OD2-NZ 3.26Å; D56-K244 PolarHBondContact OD2-NZ 3.02Å; D56-K481 WeakPolarHBondContact O-CE 3.46Å; D56-Y483 PolarHBondContact OD1-OH 3.13Å
57	E	65.2	Low	60.3	Low	130 Å²	130	71.6 Å²	71.6	61%	0.607	39%	0.386	S	S	*	.			trans	-70	127.3	178.4	-67.7	-178.2	173.5	0	0	111.1
58	D	63.5	Low	59.2	Low	65 Å²	65	74.5 Å²	74.5	35%	0.348	41%	0.41	S	S	.	.			trans	-76.1	132.5	167.3	-169.7	-46	0	0	0	108.3	D56 G60 M480	D56-D58 PolarHBondContact O-N 3Å; D58-G60 PolarHBondContact O-N 3.17Å; D58-G60 PolarHBondContact OD1-N 3.13Å; D58-M480 HydrophobicContact CB-CB 4.43Å; D58-M480 WeakPolarHBondContact OD1-CB 3.38Å; D58-M480 WeakPolarHBondContact OD1-CG 3.2Å
59	S	51.9	Low	58.6	Low	41 Å²	41	71.4 Å²	71.4	29%	0.287	39%	0.393	S	S	.	.			trans	-72.5	9.1	-178.5	64.6	0	0	0	0	114.7	M480	S59-M480 WeakPolarHBondContact OG-CB 3.02Å; S59-M480 VanDerWaalsContact OG-CG 3.27Å; S59-M480 WeakPolarHBondContact OG-CG 3.28Å; S59-M480 PolarHBondContact OG-SD 3.32Å
60	G	52.6	Low	58	Low	37 Å²	37	69.1 Å²	69.1	38%	0.381	38%	0.38	S	S	.	.			trans	91.1	172.7	174.1	0	0	0	0	0	113.7	D58	D58-G60 PolarHBondContact O-N 3.17Å; D58-G60 PolarHBondContact OD1-N 3.13Å
61	D	53.3	Low	57.5	Low	54 Å²	54	69.2 Å²	69.2	29%	0.289	38%	0.381	S	S	.	.			trans	-61.5	131.9	-170	-159.7	-18.4	0	0	0	112.7	D63 S64 R198	D61-D63 PolarHBondContact O-N 3.14Å; D61-D63 VanDerWaalsContact O-N 3.08Å; D61-D63 PolarHBondContact OD1-N 2.86Å; D61-S64 WeakPolarHBondContact O-CB 3.35Å; D61-S64 PolarHBondContact O-N 2.87Å; D61-R198 IonicContact OD1-CZ 2.73Å; D61-R198 IonicContact OD1-NH1 3.34Å; D61-R198 IonicContact OD1-NH2 3.46Å; D61-R198 IonicContact OD2-CZ 2.56Å; D61-R198 IonicContact OD2-NH1 3.5Å; D61-R198 PolarHBondContact OD2-NH1 3.3Å; D61-R198 IonicContact OD2-NH2 2.83Å; D61-R198 PolarHBondContact OD2-NH2 3.49Å
62	E	50	Low	57	Low	59 Å²	59	68.6 Å²	68.6	28%	0.276	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.5	173.2	-65.6	-177.5	166.5	0	0	111.8	S64 M480	E62-S64 VanDerWaalsContact C-N 3.34Å; E62-M480 HydrophobicContact CG-CE 4.37Å
63	D	50.8	Low	56.9	Low	62 Å²	62	68.2 Å²	68.2	33%	0.332	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-6.5	177.3	-71.9	-43.8	0	0	0	114.4	D61 R196 R198	D61-D63 PolarHBondContact O-N 3.14Å; D61-D63 VanDerWaalsContact O-N 3.08Å; D61-D63 PolarHBondContact OD1-N 2.86Å; D63-R196 VanDerWaalsContact OD1-CD 3.26Å; D63-R196 WeakPolarHBondContact OD1-CD 3.43Å; D63-R196 IonicContact OD1-CZ 3.54Å; D63-R196 IonicContact OD1-NE 2.63Å; D63-R196 IonicContact OD1-NH1 3.78Å; D63-R196 PolarHBondContact OD1-NH1 3.33Å; D63-R198 IonicContact OD2-CZ 2.68Å; D63-R198 IonicContact OD2-NH1 2.91Å; D63-R198 PolarHBondContact OD2-NH1 3.13Å
64	S	47.8	Very low	57.1	Low	64 Å²	64	60.8 Å²	60.8	45%	0.448	34%	0.34	S	S	.	.	S	Bend	trans	-88.1	122.1	-177.4	-61.9	0	0	0	0	112.3	D61 E62 R66 H69	D61-S64 WeakPolarHBondContact O-CB 3.35Å; D61-S64 PolarHBondContact O-N 2.87Å; E62-S64 VanDerWaalsContact C-N 3.34Å; S64-R66 PolarHBondContact O-N 2.76Å; S64-H69 PolarHBondContact O-CE1 2.8Å; S64-H69 VanDerWaalsContact O-CE1 3.28Å; S64-H69 PolarHBondContact O-NE2 3.26Å
65	Q	41.3	Very low	57.1	Low	206 Å²	206	58 Å²	58	96%	0.963	33%	0.329	S	S	*	.			trans	-62.6	13	-177.8	-73.7	178.7	-10.8	0	0	116.8
66	R	38.5	Very low	56.9	Low	228 Å²	228	63 Å²	63	86%	0.86	35%	0.352	S	S	*	.	S	Bend	trans	-97.9	100.5	-178	-76.5	-170.6	-176	-169.7	2.7	112.4	S64	S64-R66 PolarHBondContact O-N 2.76Å
67	G	49.8	Very low	56.9	Low	60 Å²	60	62.4 Å²	62.4	62%	0.619	35%	0.35	S	S	*	.	S	Bend	trans	63.7	-180	151.5	0	0	0	0	0	117.4	H69	G67-H69 PolarHBondContact O-CD2 2.96Å; G67-H69 PolarHBondContact O-N 3.42Å; G67-H69 VanDerWaalsContact O-N 3.08Å
68	A	50.6	Low	57.2	Low	65 Å²	65	56.8 Å²	56.8	54%	0.537	33%	0.325	S	S	.	.			trans	-65	107.9	-177	0	0	0	0	0	111.4	L70	A68-L70 VanDerWaalsContact C-N 3.26Å; A68-L70 PolarHBondContact O-N 3.07Å
69	H	56.4	Low	57.6	Low	26 Å²	26	54.2 Å²	54.2	12%	0.12	31%	0.311	C	S	.	.			trans	-68.4	76.9	179.5	-60.9	-88.5	0	0	0	112.3	S64 G67 G277 H278	S64-H69 PolarHBondContact O-CE1 2.8Å; S64-H69 VanDerWaalsContact O-CE1 3.28Å; S64-H69 PolarHBondContact O-NE2 3.26Å; G67-H69 PolarHBondContact O-CD2 2.96Å; G67-H69 PolarHBondContact O-N 3.42Å; G67-H69 VanDerWaalsContact O-N 3.08Å; H69-G277 WeakPolarHBondContact O-CA 3.2Å; H69-H278 HydrophobicContact CB-CB 4.28Å; H69-H278 AromaticContact CD2-CD2 3.96Å
70	L	60.5	Low	58.2	Low	24 Å²	24	53.8 Å²	53.8	13%	0.126	31%	0.305	C	S	.	.			trans	-122.3	130	164.6	-70.3	-176.8	0	0	0	106.9	L23 L27 A68 G72 L75 Y275	L23-L70 HydrophobicContact CD2-CD1 4.35Å; L27-L70 HydrophobicContact CD1-CD1 4.42Å; A68-L70 VanDerWaalsContact C-N 3.26Å; A68-L70 PolarHBondContact O-N 3.07Å; L70-G72 PolarHBondContact O-N 2.98Å; L70-L75 HydrophobicContact CB-CD1 4.35Å; L70-L75 HydrophobicContact CB-CD2 3.81Å; L70-L75 HydrophobicContact CB-CG 3.77Å; L70-L75 HydrophobicContact CD1-CD2 3.62Å; L70-L75 HydrophobicContact CD1-CG 4.44Å; L70-L75 HydrophobicContact CG-CD2 4.29Å; L70-Y275 HydrophobicContact CD2-CD1 4.32Å; L70-Y275 HydrophobicContact CD2-CE1 3.26Å; L70-Y275 WeakPolarHBondContact CD2-OH 3.37Å; L70-Y275 HydrophobicContact CG-CE1 4.46Å
71	P	61.4	Low	58.1	Low	6 Å²	6	56.7 Å²	56.7	4%	0.039	32%	0.319	C	S	.	.			trans	-46.6	140.7	165.5	-24.9	22.2	0	0	0	111.7	S73 V74 L75 Y275 M480	P71-S73 WeakPolarHBondContact CB-OG 3.44Å; P71-S73 PolarHBondContact O-N 3.37Å; P71-S73 VanDerWaalsContact O-N 3.12Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 2.98Å; P71-L75 PolarHBondContact O-N 2.88Å; P71-L75 VanDerWaalsContact O-N 3.11Å; P71-Y275 VanDerWaalsContact CD-OH 3.32Å; P71-Y275 WeakPolarHBondContact CD-OH 3.42Å; P71-M480 WeakPolarHBondContact CD-O 3.36Å; P71-M480 HydrophobicContact CG-CB 4.48Å; P71-M480 WeakPolarHBondContact CG-O 3.47Å
72	G	60.3	Low	57.6	Low	39 Å²	39	58.3 Å²	58.3	40%	0.402	32%	0.324	S	S	.	.	H	α-helix	trans	-51.6	-37.5	174.6	0	0	0	0	0	111.7	L70 V74 L75 H76	L70-G72 PolarHBondContact O-N 2.98Å; G72-V74 PolarHBondContact O-N 3.12Å; G72-L75 PolarHBondContact O-N 2.92Å; G72-H76 WeakPolarHBondContact O-CB 3.08Å; G72-H76 PolarHBondContact O-CD2 3Å; G72-H76 VanDerWaalsContact O-CG 3.3Å; G72-H76 PolarHBondContact O-N 3.05Å
73	S	66.6	Low	57	Low	4 Å²	4	62.6 Å²	62.6	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-56.1	-33.1	176	61.9	0	0	0	0	114.1	P71 A77	P71-S73 WeakPolarHBondContact CB-OG 3.44Å; P71-S73 PolarHBondContact O-N 3.37Å; P71-S73 VanDerWaalsContact O-N 3.12Å; S73-A77 PolarHBondContact O-N 3.49Å
74	V	69.3	Low	56.2	Low	1 Å²	1	62.6 Å²	62.6	1%	0.006	35%	0.354	C	S	.	.	H	α-helix	trans	-91.2	-31.6	178.8	-172	0	0	0	0	112.5	L23 I44 P71 G72 H76 A77 Y275 W482	L23-V74 HydrophobicContact CD2-CG1 4.04Å; L23-V74 VanDerWaalsContact CD2-O 3.32Å; L23-V74 WeakPolarHBondContact CD2-O 3.45Å; I44-V74 HydrophobicContact CG2-CG1 4.34Å; P71-V74 HydrophobicContact CB-CG2 4.48Å; P71-V74 PolarHBondContact O-N 2.98Å; G72-V74 PolarHBondContact O-N 3.12Å; V74-H76 PolarHBondContact O-N 2.9Å; V74-A77 HydrophobicContact CG1-CB 4.41Å; V74-A77 WeakPolarHBondContact O-CB 3.26Å; V74-A77 PolarHBondContact O-N 2.92Å; V74-Y275 HydrophobicContact CB-CE1 3.84Å; V74-Y275 HydrophobicContact CB-CE2 4.44Å; V74-Y275 WeakPolarHBondContact CB-OH 3.33Å; V74-Y275 HydrophobicContact CG1-CD1 3.79Å; V74-Y275 HydrophobicContact CG1-CE1 3.13Å; V74-Y275 HydrophobicContact CG1-CE2 4.23Å; V74-Y275 VanDerWaalsContact CG1-CZ 3.41Å; V74-Y275 HydrophobicContact CG2-CE1 4.22Å; V74-Y275 HydrophobicContact CG2-CE2 3.91Å; V74-Y275 WeakPolarHBondContact CG2-OH 3.11Å; V74-W482 HydrophobicContact CG2-CB 3.54Å
75	L	67.2	Low	55.8	Low	36 Å²	36	62.7 Å²	62.7	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-60.6	-31.2	168.5	-69.4	175	0	0	0	112.1	L24 L70 P71 G72	L24-L75 HydrophobicContact CD1-CD2 4.39Å; L24-L75 PolarHBondContact N-O 2.89Å; L24-L75 VanDerWaalsContact N-O 3.16Å; L70-L75 HydrophobicContact CB-CD1 4.35Å; L70-L75 HydrophobicContact CB-CD2 3.81Å; L70-L75 HydrophobicContact CB-CG 3.77Å; L70-L75 HydrophobicContact CD1-CD2 3.62Å; L70-L75 HydrophobicContact CD1-CG 4.44Å; L70-L75 HydrophobicContact CG-CD2 4.29Å; P71-L75 PolarHBondContact O-N 2.88Å; P71-L75 VanDerWaalsContact O-N 3.11Å; G72-L75 PolarHBondContact O-N 2.92Å
76	H	65.9	Low	55.9	Low	103 Å²	103	58.6 Å²	58.6	48%	0.477	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1.5	175.3	-63.4	-46.6	0	0	0	114.1	G72 V74	G72-H76 WeakPolarHBondContact O-CB 3.08Å; G72-H76 PolarHBondContact O-CD2 3Å; G72-H76 VanDerWaalsContact O-CG 3.3Å; G72-H76 PolarHBondContact O-N 3.05Å; V74-H76 PolarHBondContact O-N 2.9Å
77	A	72.9	Confident	55.4	Low	1 Å²	1	50.6 Å²	50.6	1%	0.008	34%	0.343	C	S	.	.	S	Bend	trans	-64.3	146	176.2	0	0	0	0	0	111.3	L23 I44 A45 S73 V74	L23-A77 PolarHBondContact N-O 2.64Å; I44-A77 HydrophobicContact CG2-CB 3.38Å; A45-A77 VanDerWaalsContact O-CB 3.28Å; A45-A77 WeakPolarHBondContact O-CB 3.35Å; S73-A77 PolarHBondContact O-N 3.49Å; V74-A77 HydrophobicContact CG1-CB 4.41Å; V74-A77 WeakPolarHBondContact O-CB 3.26Å; V74-A77 PolarHBondContact O-N 2.92Å
78	S	71.3	Confident	54.7	Low	12 Å²	12	57 Å²	57	8%	0.084	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-72.8	127.4	175.3	-69.6	0	0	0	0	110	A45	A45-S78 PolarHBondContact N-O 3.27Å
79	V	70.9	Confident	53.6	Low	10 Å²	10	60.8 Å²	60.8	6%	0.061	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	129.6	167.9	174.6	0	0	0	0	108.5	A21 L23 V26 I42	A21-V79 PolarHBondContact O-N 2.74Å; L23-V79 VanDerWaalsContact CA-CG2 3.48Å; L23-V79 HydrophobicContact CB-CG2 3.89Å; L23-V79 HydrophobicContact CD1-CG2 3.74Å; L23-V79 HydrophobicContact CG-CG2 4.44Å; V26-V79 HydrophobicContact CB-CG2 4.23Å; V26-V79 HydrophobicContact CG2-CB 3.94Å; V26-V79 HydrophobicContact CG2-CG1 4.13Å; V26-V79 HydrophobicContact CG2-CG2 3.86Å; I42-V79 HydrophobicContact CG2-CG1 3.62Å; I42-V79 HydrophobicContact CG2-CG2 4.09Å
80	L	63.8	Low	52.5	Low	32 Å²	32	66.1 Å²	66.1	17%	0.168	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.2	174	-60.7	174.6	0	0	0	107.7	F43 A45 E82 G314	F43-L80 HydrophobicContact CB-CB 4.31Å; F43-L80 PolarHBondContact O-N 3.01Å; A45-L80 HydrophobicContact CB-CD1 4.04Å; A45-L80 HydrophobicContact CB-CG 4.38Å; L80-E82 PolarHBondContact O-N 3.32Å; L80-G314 VanDerWaalsContact CD1-CA 3.41Å
81	C	50.8	Low	50.8	Low	98 Å²	98	71.8 Å²	71.8	66%	0.662	43%	0.428	S	S	*	.			trans	-69.5	118.7	162.3	-73.4	0	0	0	0	107.5	D83	C81-D83 PolarHBondContact O-N 2.75Å
82	E	44.2	Very low	49.5	Very low	88 Å²	88	79.4 Å²	79.4	41%	0.411	47%	0.468	S	S	.	.			trans	-72.1	122.4	160.2	-63.3	-154.2	132.5	0	0	107.5	F43 L80 S84 K295	F43-E82 HydrophobicContact CD2-CG 3.7Å; F43-E82 VanDerWaalsContact CE2-CD 3.46Å; F43-E82 HydrophobicContact CE2-CG 3.66Å; F43-E82 WeakPolarHBondContact CE2-OE2 3.43Å; L80-E82 PolarHBondContact O-N 3.32Å; E82-S84 PolarHBondContact O-N 3.26Å; E82-K295 IonicContact OE1-NZ 3.53Å; E82-K295 PolarHBondContact OE1-NZ 3.08Å; E82-K295 IonicContact OE2-NZ 2.69Å
83	D	36.6	Very low	47.9	Very low	150 Å²	150	84.7 Å²	84.7	80%	0.802	49%	0.487	S	S	*	.			trans	-61.3	68	146.2	-74.3	-25.3	0	0	0	107.9	C81 G85	C81-D83 PolarHBondContact O-N 2.75Å; D83-G85 VanDerWaalsContact C-N 3.29Å; D83-G85 PolarHBondContact O-N 3.47Å; D83-G85 VanDerWaalsContact O-N 3.12Å
84	S	35.1	Very low	46.3	Very low	62 Å²	62	93.5 Å²	93.5	43%	0.434	53%	0.527	S	S	.	.			trans	-67.8	101.8	151.6	58.3	0	0	0	0	103.8	E82 T86	E82-S84 PolarHBondContact O-N 3.26Å; S84-T86 PolarHBondContact O-N 3.44Å; S84-T86 PolarHBondContact O-OG1 3.17Å
85	G	37.7	Very low	44.3	Very low	66 Å²	66	101.2 Å²	101.2	68%	0.68	57%	0.567	S	S	*	*			trans	-57.6	82.9	160.7	0	0	0	0	0	108.1	D83	D83-G85 VanDerWaalsContact C-N 3.29Å; D83-G85 PolarHBondContact O-N 3.47Å; D83-G85 VanDerWaalsContact O-N 3.12Å
86	T	44.4	Very low	42.4	Very low	119 Å²	119	107.9 Å²	107.9	73%	0.73	60%	0.598	S	S	*	*			trans	-120.8	64.4	168.2	50.8	0	0	0	0	106.1	S84	S84-T86 PolarHBondContact O-N 3.44Å; S84-T86 PolarHBondContact O-OG1 3.17Å
87	G	26.7	Very low	40.7	Very low	60 Å²	60	108.4 Å²	108.4	62%	0.619	61%	0.611	S	S	*	*			trans	-126	101.4	150.7	0	0	0	0	0	104.7	D89	G87-D89 PolarHBondContact O-N 2.94Å
88	E	36.7	Very low	38.7	Very low	195 Å²	195	113.2 Å²	113.2	91%	0.911	65%	0.65	S	S	*	*			trans	-68.5	88.9	155.1	-73.6	-170.3	152.4	0	0	105.9
89	D	26.6	Very low	36.9	Very low	145 Å²	145	122.6 Å²	122.6	78%	0.775	69%	0.689	S	S	*	*			trans	-138	114.7	158.8	-81.2	-42.7	0	0	0	107.3	G87 D91	G87-D89 PolarHBondContact O-N 2.94Å; D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 VanDerWaalsContact O-N 3.14Å
90	N	33	Very low	35.1	Very low	138 Å²	138	131.5 Å²	131.5	74%	0.738	73%	0.727	S	S	*	*			trans	-64.6	105.2	160.1	-85.3	-71.1	0	0	0	105.6
91	D	26.3	Very low	33.7	Very low	143 Å²	143	142.4 Å²	142.4	77%	0.765	77%	0.766	S	S	*	*			trans	-142.1	118.7	151.3	-90.1	-34.1	0	0	0	109.7	D89 L93	D89-D91 PolarHBondContact O-N 3.38Å; D89-D91 VanDerWaalsContact O-N 3.14Å; D91-L93 PolarHBondContact O-N 3.22Å; D91-L93 VanDerWaalsContact O-N 3.14Å
92	D	33.8	Very low	33	Very low	165 Å²	165	146.1 Å²	146.1	88%	0.882	77%	0.774	S	S	*	*			trans	-58.9	107.2	171.4	-83.8	-41.7	0	0	0	109.2
93	L	25.7	Very low	32.4	Very low	151 Å²	151	151.9 Å²	151.9	79%	0.791	80%	0.798	S	S	*	*			trans	-122.7	96.8	163.3	-74.2	175.3	0	0	0	109.4	D91 L95	D91-L93 PolarHBondContact O-N 3.22Å; D91-L93 VanDerWaalsContact O-N 3.14Å; L93-L95 PolarHBondContact O-N 3.14Å
94	E	32.9	Very low	32.3	Very low	189 Å²	189	149.1 Å²	149.1	88%	0.883	80%	0.796	S	S	*	*			trans	-58.8	97	167.5	-71.7	-172.4	147.5	0	0	110.4	Q96	E94-Q96 PolarHBondContact O-N 3.38Å
95	L	26.9	Very low	32.5	Very low	162 Å²	162	152.4 Å²	152.4	85%	0.848	81%	0.813	S	S	*	*			trans	-87.6	102.6	166.3	-91.4	136.6	0	0	0	109.6	L93	L93-L95 PolarHBondContact O-N 3.14Å
96	Q	28.4	Very low	32.6	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.5	130.4	167.9	-67.1	-166.5	13.8	0	0	110.5	E94	E94-Q96 PolarHBondContact O-N 3.38Å
97	P	30.2	Very low	33.1	Very low	115 Å²	115	157.2 Å²	157.2	75%	0.747	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-81.5	128.6	178.3	29.5	-30.1	0	0	0	111.6	K99	P97-K99 PolarHBondContact O-N 3.27Å
98	A	31.6	Very low	34.6	Very low	102 Å²	102	160 Å²	160	84%	0.843	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.1	120.4	166.1	0	0	0	0	0	110.4	K100	A98-K100 PolarHBondContact O-N 3.32Å
99	K	31.9	Very low	36.2	Very low	208 Å²	208	159.3 Å²	159.3	90%	0.904	82%	0.819	S	S	*	*			trans	-70.5	105.7	-177.4	-68.5	176.4	-179.8	173.2	0	111.1	P97	P97-K99 PolarHBondContact O-N 3.27Å
100	K	34.5	Very low	39	Very low	198 Å²	198	155.4 Å²	155.4	86%	0.861	79%	0.794	S	S	*	*			trans	-98	117.6	150.4	-83.2	-175.4	177.2	178.8	0	108.5	A98 Q102	A98-K100 PolarHBondContact O-N 3.32Å; K100-Q102 PolarHBondContact O-N 2.78Å
101	R	33	Very low	41.7	Very low	260 Å²	260	153.3 Å²	153.3	98%	0.981	78%	0.781	S	S	*	*			trans	-64.2	94.1	175.6	-93.1	177.3	152.8	-178.5	-5.8	109.7
102	Q	37.9	Very low	44.9	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	75%	0.752	S	S	*	*			trans	-93.7	137	156.9	-72.6	-179.7	-8.4	0	0	107.8	K100 A104	K100-Q102 PolarHBondContact O-N 2.78Å; Q102-A104 PolarHBondContact O-N 2.77Å
103	K	30.4	Very low	47.8	Very low	210 Å²	210	142 Å²	142	91%	0.913	72%	0.72	S	S	*	*			trans	-53.1	116.1	172.4	-90.7	179.7	173.1	177.9	0	108.2	V105	K103-V105 PolarHBondContact O-N 2.59Å
104	A	33.7	Very low	51	Low	92 Å²	92	139.3 Å²	139.3	76%	0.76	70%	0.702	S	S	*	*			trans	-65.1	108	179.2	0	0	0	0	0	108.9	Q102 V106	Q102-A104 PolarHBondContact O-N 2.77Å; A104-V106 PolarHBondContact O-N 2.66Å
105	V	41.2	Very low	53.9	Low	130 Å²	130	133.1 Å²	133.1	79%	0.788	67%	0.67	S	S	*	*			trans	-64.1	113.8	157	179	0	0	0	0	105.2	K103 K107	K103-V105 PolarHBondContact O-N 2.59Å; V105-K107 PolarHBondContact O-N 2.63Å
106	V	39	Very low	57	Low	132 Å²	132	127.3 Å²	127.3	80%	0.8	64%	0.64	S	S	*	*			trans	-57.7	103	176	178.1	0	0	0	0	107.1	A104	A104-V106 PolarHBondContact O-N 2.66Å
107	K	55.3	Low	60	Low	155 Å²	155	119.5 Å²	119.5	67%	0.674	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-71	127.4	172.1	-72.6	-175.6	178.5	-177	0	106.8	V105 Q109	V105-K107 PolarHBondContact O-N 2.63Å; K107-Q109 PolarHBondContact O-N 3.5Å
108	P	58.3	Low	62.7	Low	118 Å²	118	123.2 Å²	123.2	77%	0.766	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-57.2	130.4	174.6	22.4	-30.7	0	0	0	109	R110	P108-R110 PolarHBondContact O-N 3.01Å
109	Q	69.5	Low	64.7	Low	180 Å²	180	121.5 Å²	121.5	84%	0.841	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-73.8	116.3	-179.9	-169.5	173.1	-7.7	0	0	108.4	K107	K107-Q109 PolarHBondContact O-N 3.5Å
110	R	85.4	Confident	66.9	Low	64 Å²	64	118.4 Å²	118.4	24%	0.242	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-70.9	136.6	179	-65.8	-177	-175.4	-93.7	4.8	110.2	P108 S361 D403	P108-R110 PolarHBondContact O-N 3.01Å; R110-S361 PolarHBondContact NH1-OG 2.87Å; R110-S361 PolarHBondContact NH2-OG 3.08Å; R110-D403 VanDerWaalsContact CD-OD2 3.24Å; R110-D403 WeakPolarHBondContact CD-OD2 3.34Å; R110-D403 WeakPolarHBondContact CG-OD2 3.36Å; R110-D403 IonicContact CZ-OD2 2.7Å; R110-D403 IonicContact NE-OD2 2.76Å; R110-D403 IonicContact NH1-OD2 3.49Å; R110-D403 PolarHBondContact NH1-OD2 3.38Å
111	I	90.6	Very high	69.1	Low	93 Å²	93	111.1 Å²	111.1	48%	0.477	55%	0.545	S	S	.	.			trans	-103	113.2	178.3	-58.4	174.8	0	0	0	107.7	T113 D403 E404	I111-T113 HydrophobicContact CG2-CG2 4.26Å; I111-D403 WeakPolarHBondContact O-CA 3.43Å; I111-E404 HydrophobicContact CG2-CG 4.46Å; I111-E404 PolarHBondContact O-N 3Å
112	W	93.2	Very high	70.8	Confident	37 Å²	37	101.3 Å²	101.3	14%	0.14	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119	-176.8	-67.6	103.8	0	0	0	111.2	V357 T379 C382 P383 K401 V402 D403 V410	W112-V357 HydrophobicContact CH2-CG1 4.47Å; W112-V357 HydrophobicContact CH2-CG2 4.42Å; W112-T379 WeakPolarHBondContact CZ2-O 3.46Å; W112-C382 HydrophobicContact CD2-CB 4.21Å; W112-C382 HydrophobicContact CE3-CB 4.39Å; W112-C382 HydrophobicContact CH2-CB 3.98Å; W112-C382 HydrophobicContact CZ2-CB 3.75Å; W112-C382 HydrophobicContact CZ3-CB 4.28Å; W112-P383 HydrophobicContact CB-CG 3.81Å; W112-P383 VanDerWaalsContact CD1-CD 3.47Å; W112-P383 VanDerWaalsContact CG-CD 3.44Å; W112-P383 HydrophobicContact CG-CG 4.19Å; W112-K401 HydrophobicContact CB-CB 4.21Å; W112-K401 HydrophobicContact CD2-CB 4.47Å; W112-K401 HydrophobicContact CE3-CB 3.8Å; W112-V402 CarbonylContact C-O 3.49Å; W112-V402 WeakPolarHBondContact CA-O 3.46Å; W112-D403 HydrophobicContact CE3-CB 4.16Å; W112-D403 HydrophobicContact CH2-CB 4.24Å; W112-D403 HydrophobicContact CZ3-CB 3.96Å; W112-V410 HydrophobicContact CH2-CG2 3.68Å; W112-V410 HydrophobicContact CZ3-CG2 3.86Å
113	T	94.2	Very high	72.3	Confident	34 Å²	34	99.1 Å²	99.1	21%	0.209	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	156	178.6	59.9	0	0	0	0	113.3	I111 R115 K401 V402 E404	I111-T113 HydrophobicContact CG2-CG2 4.26Å; T113-R115 PolarHBondContact O-N 2.8Å; T113-K401 WeakPolarHBondContact O-CA 3.24Å; T113-V402 PolarHBondContact N-O 3.31Å; T113-V402 PolarHBondContact O-N 3.19Å; T113-E404 WeakPolarHBondContact CB-OE1 3.38Å; T113-E404 HydrophobicContact CG2-CG 3.8Å; T113-E404 WeakPolarHBondContact CG2-OE1 3.2Å; T113-E404 VanDerWaalsContact OG1-CD 3.32Å; T113-E404 WeakPolarHBondContact OG1-CG 3.33Å; T113-E404 PolarHBondContact OG1-OE1 3.12Å
114	K	94	Very high	74.3	Confident	95 Å²	95	92.3 Å²	92.3	41%	0.413	50%	0.497	S	S	.	.	S	Bend	trans	-91.1	76.1	-179.8	-173.2	64.1	177.6	-176.7	0	109.3	D399 Y400 K401	K114-D399 IonicContact NZ-OD1 2.67Å; K114-D399 PolarHBondContact NZ-OD1 2.97Å; K114-Y400 HydrophobicContact CD-CE1 4.5Å; K114-Y400 HydrophobicContact CD-CE2 4.46Å; K114-Y400 WeakPolarHBondContact CD-O 3.45Å; K114-Y400 PolarHBondContact NZ-O 3.07Å; K114-K401 HydrophobicContact CB-CD 4.41Å; K114-K401 HydrophobicContact CD-CD 4.46Å
115	R	93.5	Very high	75.9	Confident	58 Å²	58	94.1 Å²	94.1	22%	0.219	50%	0.499	C	S	.	.	S	Bend	trans	-142.6	165.8	173.5	63.5	173	175.8	91.9	-10.6	109.6	T113 Y400 V402 E404 E407	T113-R115 PolarHBondContact O-N 2.8Å; R115-Y400 VanDerWaalsContact O-CE2 3.3Å; R115-Y400 WeakPolarHBondContact O-CE2 3.37Å; R115-V402 HydrophobicContact CG-CB 4.35Å; R115-V402 WeakPolarHBondContact O-CG2 3.5Å; R115-E404 IonicContact NE-OE1 3.75Å; R115-E407 IonicContact CZ-OE1 2.78Å; R115-E407 VanDerWaalsContact CZ-OE1 3.26Å; R115-E407 IonicContact CZ-OE2 3.94Å; R115-E407 IonicContact NH1-OE1 3.16Å; R115-E407 PolarHBondContact NH1-OE1 2.81Å; R115-E407 IonicContact NH1-OE2 3.41Å; R115-E407 PolarHBondContact NH1-OE2 3.28Å; R115-E407 IonicContact NH2-OE1 2.73Å; R115-E407 PolarHBondContact NH2-OE1 2.89Å; R115-E407 IonicContact NH2-OE2 3.87Å
116	D	91.8	Very high	76.9	Confident	41 Å²	41	90.5 Å²	90.5	22%	0.219	48%	0.483	C	S	.	.			trans	-78.2	158.7	170.6	-150.2	-1	0	0	0	111.1	G427 I428 E429	D116-G427 WeakPolarHBondContact OD1-CA 3.4Å; D116-I428 PolarHBondContact OD1-N 2.94Å; D116-I428 PolarHBondContact OD2-N 3.38Å; D116-I428 VanDerWaalsContact OD2-N 3.13Å; D116-E429 PolarHBondContact OD2-N 3.38Å
117	I	91.3	Very high	78.5	Confident	12 Å²	12	88.6 Å²	88.6	6%	0.062	48%	0.475	C	S	.	.			trans	-70	145.3	177.2	-168.9	176.5	0	0	0	110.3	P119 V402 E407 I409 N424 G427	I117-P119 WeakPolarHBondContact O-CD 3.34Å; I117-V402 HydrophobicContact CB-CG2 4.34Å; I117-E407 HydrophobicContact CD1-CB 4.48Å; I117-E407 WeakPolarHBondContact CD1-O 3.49Å; I117-E407 HydrophobicContact CG1-CB 4.16Å; I117-I409 HydrophobicContact CB-CB 4.41Å; I117-I409 HydrophobicContact CD1-CG2 4.4Å; I117-N424 VanDerWaalsContact CD1-C 3.46Å; I117-N424 WeakPolarHBondContact CD1-O 3.44Å; I117-G427 VanDerWaalsContact CG2-N 3.33Å
118	R	86.1	Confident	79.8	Confident	193 Å²	193	82.1 Å²	82.1	73%	0.728	45%	0.448	S	S	*	.			trans	-114.1	84.4	171.3	-65.6	-179.7	-176	172.7	0.8	108	D120 E407	R118-D120 PolarHBondContact O-N 3.49Å; R118-E407 PolarHBondContact N-OE2 3.38Å
119	P	74	Confident	81.2	Confident	66 Å²	66	81.2 Å²	81.2	43%	0.429	44%	0.442	S	S	.	.			trans	-67.7	127.6	-176	26.8	-30.3	0	0	0	109.5	I117 F121 A425	I117-P119 WeakPolarHBondContact O-CD 3.34Å; P119-F121 HydrophobicContact CB-CD2 3.97Å; P119-A425 VanDerWaalsContact CB-O 3.27Å; P119-A425 WeakPolarHBondContact CB-O 3.34Å; P119-A425 WeakPolarHBondContact CG-O 3.24Å
120	D	78.4	Confident	82.2	Confident	142 Å²	142	75 Å²	75	76%	0.759	41%	0.413	S	S	*	.			trans	-104.2	55.8	175.2	-170.7	21.7	0	0	0	109.7	R118	R118-D120 PolarHBondContact O-N 3.49Å
121	F	80.1	Confident	82.4	Confident	46 Å²	46	72.4 Å²	72.4	20%	0.202	40%	0.404	C	S	.	.			trans	-107	134	173.1	-65.7	-84.2	0	0	0	108.9	P119 R364 K369 N424 A425	P119-F121 HydrophobicContact CB-CD2 3.97Å; F121-R364 HydrophobicContact CZ-CG 4.16Å; F121-K369 HydrophobicContact CB-CD 4.01Å; F121-K369 HydrophobicContact CB-CG 4.25Å; F121-K369 HydrophobicContact CD1-CD 4.29Å; F121-K369 HydrophobicContact CD1-CG 3.61Å; F121-K369 HydrophobicContact CD2-CD 4.09Å; F121-K369 HydrophobicContact CD2-CG 3.68Å; F121-K369 HydrophobicContact CE1-CG 3.74Å; F121-K369 HydrophobicContact CE2-CG 3.83Å; F121-K369 HydrophobicContact CG-CD 3.87Å; F121-K369 HydrophobicContact CG-CG 3.56Å; F121-K369 HydrophobicContact CZ-CG 3.85Å; F121-N424 VanDerWaalsContact CE2-O 3.26Å; F121-N424 WeakPolarHBondContact CE2-O 3.47Å; F121-A425 HydrophobicContact CD2-CB 4.32Å; F121-A425 HydrophobicContact CE2-CB 4.01Å
122	G	69	Low	82.4	Confident	53 Å²	53	73.1 Å²	73.1	55%	0.546	41%	0.405	S	S	.	.			trans	-58.9	142.2	172.7	0	0	0	0	0	111.6
123	S	68.4	Low	82.4	Confident	130 Å²	130	75.1 Å²	75.1	91%	0.909	42%	0.418	S	S	*	.			trans	-72.1	137.7	165.1	57	0	0	0	0	109.4
124	W	72.9	Confident	82.3	Confident	67 Å²	67	73.6 Å²	73.6	25%	0.254	41%	0.409	S	S	.	.			trans	-134.8	131.6	176.6	170.5	66	0	0	0	110	A126 L262 L344 P345	W124-A126 HydrophobicContact CE3-CB 4.37Å; W124-A126 HydrophobicContact CH2-CB 3.18Å; W124-A126 HydrophobicContact CZ2-CB 3.56Å; W124-A126 HydrophobicContact CZ3-CB 3.68Å; W124-L262 HydrophobicContact CH2-CB 4.49Å; W124-L262 HydrophobicContact CH2-CD2 3.89Å; W124-L262 HydrophobicContact CH2-CG 3.66Å; W124-L262 HydrophobicContact CZ2-CD2 3.64Å; W124-L262 HydrophobicContact CZ2-CG 3.97Å; W124-L344 HydrophobicContact CD2-CD2 4.25Å; W124-L344 HydrophobicContact CG-CD2 4.47Å; W124-L344 HydrophobicContact CH2-CD1 3.97Å; W124-L344 HydrophobicContact CZ2-CD1 3.69Å; W124-L344 HydrophobicContact CZ2-CD2 4.24Å; W124-P345 HydrophobicContact CB-CG 3.53Å; W124-P345 HydrophobicContact CG-CG 4.27Å
125	T	66.9	Low	82.1	Confident	131 Å²	131	72.3 Å²	72.3	80%	0.804	40%	0.403	S	S	*	.			trans	-99.2	117.2	171.2	-3.9	0	0	0	0	107.8	S127	T125-S127 PolarHBondContact O-N 2.82Å
126	A	63.3	Low	81.9	Confident	54 Å²	54	73.6 Å²	73.6	45%	0.446	42%	0.421	S	S	.	.			trans	-70.6	97.7	179.4	0	0	0	0	0	110.9	W124 L262	W124-A126 HydrophobicContact CE3-CB 4.37Å; W124-A126 HydrophobicContact CH2-CB 3.18Å; W124-A126 HydrophobicContact CZ2-CB 3.56Å; W124-A126 HydrophobicContact CZ3-CB 3.68Å; A126-L262 WeakPolarHBondContact CB-O 3.21Å
127	S	71.6	Confident	81.8	Confident	91 Å²	91	76 Å²	76	64%	0.636	43%	0.431	S	S	*	.			trans	-85.1	126	152.3	60.5	0	0	0	0	107.2	T125 P129	T125-S127 PolarHBondContact O-N 2.82Å; S127-P129 WeakPolarHBondContact O-CD 3.15Å
128	D	84.1	Confident	81.6	Confident	19 Å²	19	83.4 Å²	83.4	10%	0.102	47%	0.466	C	S	.	.			trans	-116.5	87.6	178	-170.9	-19.1	0	0	0	109	H130 I131 E132 L262	D128-H130 PolarHBondContact O-N 2.97Å; D128-H130 VanDerWaalsContact O-N 3.16Å; D128-H130 WeakPolarHBondContact OD1-CB 3.33Å; D128-H130 PolarHBondContact OD1-N 2.83Å; D128-I131 HydrophobicContact CB-CB 4.08Å; D128-I131 HydrophobicContact CB-CG1 4.17Å; D128-I131 VanDerWaalsContact CG-CG1 3.4Å; D128-I131 PolarHBondContact O-N 2.8Å; D128-I131 VanDerWaalsContact O-N 3.12Å; D128-I131 PolarHBondContact OD1-N 2.84Å; D128-I131 VanDerWaalsContact OD1-N 3.15Å; D128-I131 WeakPolarHBondContact OD2-CG1 3.34Å; D128-E132 PolarHBondContact O-N 3.43Å; D128-E132 VanDerWaalsContact O-N 3.11Å; D128-L262 HydrophobicContact CB-CB 4.01Å; D128-L262 WeakPolarHBondContact OD2-CB 3.17Å; D128-L262 PolarHBondContact OD2-N 3.43Å
129	P	86.9	Confident	81.8	Confident	99 Å²	99	76.2 Å²	76.2	64%	0.643	44%	0.441	S	S	*	.	H	α-helix	trans	-56.9	-30.1	-179.3	-24.4	33.8	0	0	0	112.7	S127 E132 D133	S127-P129 WeakPolarHBondContact O-CD 3.15Å; P129-E132 PolarHBondContact O-N 2.92Å; P129-D133 WeakPolarHBondContact O-CB 3.44Å; P129-D133 PolarHBondContact O-N 3.26Å
130	H	90.1	Very high	82.7	Confident	51 Å²	51	75.3 Å²	75.3	24%	0.236	44%	0.437	C	S	.	.	H	α-helix	trans	-69.8	-40.2	179.6	175.6	75.3	0	0	0	111.6	D128 D133 L134 H259	D128-H130 PolarHBondContact O-N 2.97Å; D128-H130 VanDerWaalsContact O-N 3.16Å; D128-H130 WeakPolarHBondContact OD1-CB 3.33Å; D128-H130 PolarHBondContact OD1-N 2.83Å; H130-D133 PolarHBondContact O-N 3.15Å; H130-L134 VanDerWaalsContact NE2-CD1 3.31Å; H130-L134 WeakPolarHBondContact NE2-CD1 3.27Å; H130-L134 WeakPolarHBondContact O-CB 3.37Å; H130-L134 WeakPolarHBondContact O-CG 3.39Å; H130-L134 PolarHBondContact O-N 2.84Å; H130-H259 AromaticContact CE1-CE1 3.88Å; H130-H259 AromaticContact CE1-ND1 3.34Å; H130-H259 PolarHBondContact CE1-ND1 2.82Å; H130-H259 VanDerWaalsContact CE1-ND1 3.34Å; H130-H259 AromaticContact NE2-CG 3.99Å; H130-H259 AromaticContact NE2-ND1 3.27Å; H130-H259 PolarHBondContact NE2-ND1 3.11Å
131	I	91.1	Very high	83.4	Confident	9 Å²	9	69.4 Å²	69.4	5%	0.046	41%	0.406	C	S	.	.	H	α-helix	trans	-70.5	-35.6	174.9	-67.4	-70	0	0	0	111.8	D128 L134 K135 P261 L501 I504	D128-I131 HydrophobicContact CB-CB 4.08Å; D128-I131 HydrophobicContact CB-CG1 4.17Å; D128-I131 VanDerWaalsContact CG-CG1 3.4Å; D128-I131 PolarHBondContact O-N 2.8Å; D128-I131 VanDerWaalsContact O-N 3.12Å; D128-I131 PolarHBondContact OD1-N 2.84Å; D128-I131 VanDerWaalsContact OD1-N 3.15Å; D128-I131 WeakPolarHBondContact OD2-CG1 3.34Å; I131-L134 HydrophobicContact CD1-CD1 4.27Å; I131-L134 PolarHBondContact O-N 3.38Å; I131-K135 WeakPolarHBondContact O-CG 3.06Å; I131-K135 PolarHBondContact O-N 2.63Å; I131-P261 HydrophobicContact CD1-CB 4.36Å; I131-P261 HydrophobicContact CD1-CG 4.2Å; I131-L501 HydrophobicContact CD1-CD2 3.76Å; I131-I504 HydrophobicContact CG2-CG2 3.64Å
132	E	90.4	Very high	84.2	Confident	108 Å²	108	67.9 Å²	67.9	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-66.9	-39	174	-63.2	-52	136.6	0	0	112.1	D128 P129 K135 S136	D128-E132 PolarHBondContact O-N 3.43Å; D128-E132 VanDerWaalsContact O-N 3.11Å; P129-E132 PolarHBondContact O-N 2.92Å; E132-K135 WeakPolarHBondContact O-CB 3.44Å; E132-K135 PolarHBondContact O-N 2.96Å; E132-K135 IonicContact OE1-NZ 3.57Å; E132-K135 PolarHBondContact OE1-NZ 3.42Å; E132-K135 WeakPolarHBondContact OE2-CD 3.2Å; E132-K135 IonicContact OE2-NZ 2.64Å; E132-K135 PolarHBondContact OE2-NZ 2.9Å; E132-S136 PolarHBondContact O-N 3Å; E132-S136 VanDerWaalsContact O-N 3.11Å
133	D	91.8	Very high	85.4	Confident	78 Å²	78	66 Å²	66	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-48.1	171.4	-179.1	66.3	0	0	0	111.2	P129 H130 K135 S136 Q137	P129-D133 WeakPolarHBondContact O-CB 3.44Å; P129-D133 PolarHBondContact O-N 3.26Å; H130-D133 PolarHBondContact O-N 3.15Å; D133-K135 VanDerWaalsContact C-N 3.28Å; D133-K135 PolarHBondContact O-N 2.75Å; D133-S136 WeakPolarHBondContact O-CB 3.03Å; D133-S136 PolarHBondContact O-N 2.64Å; D133-S136 PolarHBondContact O-OG 3.06Å; D133-Q137 WeakPolarHBondContact O-CG 3.34Å; D133-Q137 PolarHBondContact O-N 3.37Å; D133-Q137 VanDerWaalsContact O-N 3.1Å; D133-Q137 PolarHBondContact OD2-NE2 3.12Å
134	L	91.9	Very high	86.8	Confident	3 Å²	3	60 Å²	60	2%	0.016	34%	0.339	C	S	.	.	H	α-helix	trans	-59.3	-36.4	176.6	-77.9	179.2	0	0	0	113.3	H130 I131 S136 Q137 L139 L147 L501	H130-L134 VanDerWaalsContact NE2-CD1 3.31Å; H130-L134 WeakPolarHBondContact NE2-CD1 3.27Å; H130-L134 WeakPolarHBondContact O-CB 3.37Å; H130-L134 WeakPolarHBondContact O-CG 3.39Å; H130-L134 PolarHBondContact O-N 2.84Å; I131-L134 HydrophobicContact CD1-CD1 4.27Å; I131-L134 PolarHBondContact O-N 3.38Å; L134-S136 VanDerWaalsContact C-N 3.35Å; L134-Q137 PolarHBondContact O-N 2.71Å; L134-L139 HydrophobicContact CD2-CD1 4.04Å; L134-L147 HydrophobicContact CD1-CD1 4.22Å; L134-L147 HydrophobicContact CD2-CD1 3.8Å; L134-L147 HydrophobicContact CD2-CD2 4.27Å; L134-L501 HydrophobicContact CD1-CD1 4.42Å
135	K	90.4	Very high	88	Confident	68 Å²	68	56.8 Å²	56.8	30%	0.296	33%	0.327	S	S	.	.	H	α-helix	trans	-61.2	-44.8	172.2	-78.2	168.6	-175.4	173.4	0	111.4	I131 E132 D133 Q137 E138 C505	I131-K135 WeakPolarHBondContact O-CG 3.06Å; I131-K135 PolarHBondContact O-N 2.63Å; E132-K135 WeakPolarHBondContact O-CB 3.44Å; E132-K135 PolarHBondContact O-N 2.96Å; E132-K135 IonicContact OE1-NZ 3.57Å; E132-K135 PolarHBondContact OE1-NZ 3.42Å; E132-K135 WeakPolarHBondContact OE2-CD 3.2Å; E132-K135 IonicContact OE2-NZ 2.64Å; E132-K135 PolarHBondContact OE2-NZ 2.9Å; D133-K135 VanDerWaalsContact C-N 3.28Å; D133-K135 PolarHBondContact O-N 2.75Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.71Å; K135-E138 PolarHBondContact O-N 3.16Å; K135-C505 HydrophobicContact CG-CB 3.95Å
136	S	89	Confident	89.4	Confident	85 Å²	85	53.3 Å²	53.3	59%	0.594	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-25.4	-178.7	78.6	0	0	0	0	113.8	E132 D133 L134 E138	E132-S136 PolarHBondContact O-N 3Å; E132-S136 VanDerWaalsContact O-N 3.11Å; D133-S136 WeakPolarHBondContact O-CB 3.03Å; D133-S136 PolarHBondContact O-N 2.64Å; D133-S136 PolarHBondContact O-OG 3.06Å; L134-S136 VanDerWaalsContact C-N 3.35Å; S136-E138 VanDerWaalsContact C-N 3.29Å; S136-E138 PolarHBondContact O-N 3.11Å
137	Q	89.4	Confident	91.1	Very high	90 Å²	90	52 Å²	52	42%	0.421	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-15.6	178.1	-67.5	-179.1	31	0	0	113.5	D133 L134 K135 L139	D133-Q137 WeakPolarHBondContact O-CG 3.34Å; D133-Q137 PolarHBondContact O-N 3.37Å; D133-Q137 VanDerWaalsContact O-N 3.1Å; D133-Q137 PolarHBondContact OD2-NE2 3.12Å; L134-Q137 PolarHBondContact O-N 2.71Å; K135-Q137 VanDerWaalsContact C-N 3.25Å; K135-Q137 PolarHBondContact O-N 2.71Å; Q137-L139 HydrophobicContact CB-CD2 4.05Å; Q137-L139 HydrophobicContact CB-CG 3.88Å; Q137-L139 PolarHBondContact O-N 3.11Å; Q137-L139 VanDerWaalsContact O-N 3.12Å
138	E	86.9	Confident	92.4	Very high	169 Å²	169	47.6 Å²	47.6	79%	0.79	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	42.6	179.4	-62.1	-173.6	166.9	0	0	113.5	K135 S136 S140	K135-E138 PolarHBondContact O-N 3.16Å; S136-E138 VanDerWaalsContact C-N 3.29Å; S136-E138 PolarHBondContact O-N 3.11Å; E138-S140 PolarHBondContact O-N 2.97Å
139	L	90.8	Very high	93	Very high	42 Å²	42	46.8 Å²	46.8	22%	0.22	25%	0.252	C	S	.	.			trans	-62	134	-175.1	-63.6	179.3	0	0	0	111.8	L134 Q137 L144 L147	L134-L139 HydrophobicContact CD2-CD1 4.04Å; Q137-L139 HydrophobicContact CB-CD2 4.05Å; Q137-L139 HydrophobicContact CB-CG 3.88Å; Q137-L139 PolarHBondContact O-N 3.11Å; Q137-L139 VanDerWaalsContact O-N 3.12Å; L139-L144 HydrophobicContact CB-CD2 4.03Å; L139-L144 HydrophobicContact CB-CG 3.94Å; L139-L144 HydrophobicContact CD1-CD2 4.15Å; L139-L147 HydrophobicContact CD1-CD1 4.31Å; L139-L147 HydrophobicContact CD1-CD2 4.04Å; L139-L147 HydrophobicContact CD1-CG 4.32Å
140	S	92.6	Very high	93.5	Very high	47 Å²	47	44.4 Å²	44.4	33%	0.329	23%	0.234	S	C	.	.			trans	-62.9	164.5	170.2	68.6	0	0	0	0	111.9	E138 V142 G143 L144	E138-S140 PolarHBondContact O-N 2.97Å; S140-V142 PolarHBondContact O-N 2.73Å; S140-V142 VanDerWaalsContact O-N 3.15Å; S140-V142 VanDerWaalsContact OG-CG1 3.25Å; S140-V142 WeakPolarHBondContact OG-CG1 3.48Å; S140-G143 WeakPolarHBondContact O-CA 3.36Å; S140-G143 PolarHBondContact O-N 3.01Å; S140-G143 PolarHBondContact OG-N 3.13Å; S140-L144 PolarHBondContact O-N 3.48Å
141	P	94.5	Very high	93.7	Very high	17 Å²	17	49.3 Å²	49.3	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-52.7	-37.7	176.7	-30.3	36.5	0	0	0	114.5	F145 F516 Y519 V520	P141-F145 PolarHBondContact O-N 2.95Å; P141-F145 VanDerWaalsContact O-N 3.11Å; P141-F516 HydrophobicContact CB-CD2 3.68Å; P141-F516 HydrophobicContact CB-CE2 3.46Å; P141-F516 VanDerWaalsContact CB-CE2 3.46Å; P141-F516 HydrophobicContact CB-CG 4.31Å; P141-F516 HydrophobicContact CB-CZ 3.91Å; P141-F516 HydrophobicContact CG-CD2 4.17Å; P141-F516 HydrophobicContact CG-CE2 4.17Å; P141-F516 VanDerWaalsContact O-CZ 3.29Å; P141-F516 WeakPolarHBondContact O-CZ 3.03Å; P141-Y519 HydrophobicContact CB-CD1 3.61Å; P141-Y519 HydrophobicContact CB-CE1 4.21Å; P141-Y519 HydrophobicContact CB-CG 4.11Å; P141-Y519 HydrophobicContact CG-CD1 3.86Å; P141-Y519 HydrophobicContact CG-CE1 4.23Å; P141-Y519 HydrophobicContact CG-CG 4.06Å; P141-V520 HydrophobicContact CB-CG2 4.28Å
142	V	95.3	Very high	94	Very high	14 Å²	14	50.5 Å²	50.5	9%	0.085	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-39.8	174.9	67.7	0	0	0	0	111.6	S140 L144 F145 E146 Y519 V523 Y524	S140-V142 PolarHBondContact O-N 2.73Å; S140-V142 VanDerWaalsContact O-N 3.15Å; S140-V142 VanDerWaalsContact OG-CG1 3.25Å; S140-V142 WeakPolarHBondContact OG-CG1 3.48Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.36Å; V142-F145 WeakPolarHBondContact O-CB 3.35Å; V142-F145 PolarHBondContact O-N 2.76Å; V142-F145 VanDerWaalsContact O-N 3.14Å; V142-E146 HydrophobicContact CG2-CG 4.37Å; V142-E146 WeakPolarHBondContact O-CB 3.32Å; V142-E146 WeakPolarHBondContact O-CG 3.49Å; V142-E146 PolarHBondContact O-N 3.27Å; V142-Y519 HydrophobicContact CB-CE1 4.31Å; V142-Y519 HydrophobicContact CG1-CE1 4.1Å; V142-V523 HydrophobicContact CB-CB 4.49Å; V142-V523 HydrophobicContact CB-CG1 4.39Å; V142-V523 HydrophobicContact CG1-CG1 4.17Å; V142-V523 HydrophobicContact CG2-CB 4.44Å; V142-V523 HydrophobicContact CG2-CG1 4.11Å; V142-Y524 HydrophobicContact CG2-CD1 3.92Å; V142-Y524 HydrophobicContact CG2-CE1 3.45Å; V142-Y524 VanDerWaalsContact CG2-CE1 3.45Å
143	G	95.6	Very high	94.4	Very high	15 Å²	15	45.4 Å²	45.4	16%	0.155	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-40.1	175.6	0	0	0	0	0	112.4	S140 E146 L147	S140-G143 WeakPolarHBondContact O-CA 3.36Å; S140-G143 PolarHBondContact O-N 3.01Å; S140-G143 PolarHBondContact OG-N 3.13Å; G143-E146 PolarHBondContact O-N 3.06Å; G143-L147 PolarHBondContact O-N 3.29Å
144	L	97.2	Very high	94.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-35.4	174	-70.4	171.4	0	0	0	112.9	L139 S140 V142 L147 A498 L501 H502 F516	L139-L144 HydrophobicContact CB-CD2 4.03Å; L139-L144 HydrophobicContact CB-CG 3.94Å; L139-L144 HydrophobicContact CD1-CD2 4.15Å; S140-L144 PolarHBondContact O-N 3.48Å; V142-L144 VanDerWaalsContact C-N 3.33Å; V142-L144 PolarHBondContact O-N 3.36Å; L144-L147 HydrophobicContact CD2-CD1 4.02Å; L144-L147 WeakPolarHBondContact O-CB 3.12Å; L144-L147 PolarHBondContact O-N 2.86Å; L144-A498 HydrophobicContact CB-CB 4.24Å; L144-L501 HydrophobicContact CD2-CB 4.22Å; L144-H502 HydrophobicContact CD1-CB 3.56Å; L144-F516 HydrophobicContact CB-CZ 4.4Å; L144-F516 HydrophobicContact CD1-CE2 4.43Å
145	F	98.1	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-37.8	173.4	176.7	-102.7	0	0	0	111.8	P141 V142 L147 F148 F149 I187 A494 L495 A498 V520 Y524	P141-F145 PolarHBondContact O-N 2.95Å; P141-F145 VanDerWaalsContact O-N 3.11Å; V142-F145 WeakPolarHBondContact O-CB 3.35Å; V142-F145 PolarHBondContact O-N 2.76Å; V142-F145 VanDerWaalsContact O-N 3.14Å; F145-L147 PolarHBondContact O-N 2.95Å; F145-F148 PolarHBondContact O-N 3.39Å; F145-F149 HydrophobicContact CE1-CB 3.99Å; F145-F149 AromaticContact CE1-CD2 3.9Å; F145-F149 HydrophobicContact CE1-CD2 3.9Å; F145-F149 HydrophobicContact CE1-CG 4.11Å; F145-F149 AromaticContact CE2-CD2 3.72Å; F145-F149 HydrophobicContact CE2-CD2 3.72Å; F145-F149 HydrophobicContact CE2-CE2 4.05Å; F145-F149 HydrophobicContact CZ-CB 4.29Å; F145-F149 AromaticContact CZ-CD2 3.31Å; F145-F149 HydrophobicContact CZ-CD2 3.31Å; F145-F149 AromaticContact CZ-CE2 3.78Å; F145-F149 HydrophobicContact CZ-CE2 3.78Å; F145-F149 AromaticContact CZ-CG 3.92Å; F145-F149 HydrophobicContact CZ-CG 3.92Å; F145-F149 PolarHBondContact O-N 3.22Å; F145-I187 HydrophobicContact CE1-CD1 4.32Å; F145-I187 HydrophobicContact CZ-CD1 4.06Å; F145-A494 HydrophobicContact CD2-CB 4.41Å; F145-A494 HydrophobicContact CE2-CB 3.96Å; F145-L495 HydrophobicContact CD2-CD2 3.67Å; F145-L495 HydrophobicContact CD2-CG 3.99Å; F145-L495 HydrophobicContact CE2-CD2 3.94Å; F145-L495 HydrophobicContact CE2-CG 3.84Å; F145-L495 HydrophobicContact CG-CD2 4.41Å; F145-A498 HydrophobicContact CB-CB 4.27Å; F145-V520 HydrophobicContact CB-CG1 4.19Å; F145-V520 HydrophobicContact CB-CG2 4.18Å; F145-V520 HydrophobicContact CD1-CG1 3.76Å; F145-V520 HydrophobicContact CE1-CG1 4.3Å; F145-V520 HydrophobicContact CG-CG1 3.91Å; F145-Y524 HydrophobicContact CD1-CE2 4.2Å; F145-Y524 AromaticContact CD1-CZ 3.97Å; F145-Y524 AromaticContact CE1-CE2 3.72Å; F145-Y524 HydrophobicContact CE1-CE2 3.72Å; F145-Y524 AromaticContact CE1-CZ 3.9Å
146	E	97.5	Very high	95.4	Very high	59 Å²	59	42.5 Å²	42.5	28%	0.276	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-4.7	177.7	-71.6	-174.5	155.1	0	0	113.9	V142 G143 F148 F149 D150 K180 Y524	V142-E146 HydrophobicContact CG2-CG 4.37Å; V142-E146 WeakPolarHBondContact O-CB 3.32Å; V142-E146 WeakPolarHBondContact O-CG 3.49Å; V142-E146 PolarHBondContact O-N 3.27Å; G143-E146 PolarHBondContact O-N 3.06Å; E146-F148 PolarHBondContact O-N 2.93Å; E146-F149 CarbonylContact O-C 3.54Å; E146-D150 WeakPolarHBondContact O-CA 3.31Å; E146-D150 WeakPolarHBondContact O-CB 3.49Å; E146-D150 PolarHBondContact O-N 3.03Å; E146-K180 IonicContact OE1-NZ 3.82Å; E146-K180 PolarHBondContact OE1-NZ 3.38Å; E146-Y524 HydrophobicContact CG-CE1 4.44Å; E146-Y524 VanDerWaalsContact CG-OH 3.23Å; E146-Y524 WeakPolarHBondContact CG-OH 3.15Å; E146-Y524 WeakPolarHBondContact OE1-CE1 3.48Å; E146-Y524 PolarHBondContact OE1-OH 3.14Å; E146-Y524 VanDerWaalsContact OE1-OH 3.08Å
147	L	97.8	Very high	95.8	Very high	25 Å²	25	38.5 Å²	38.5	13%	0.131	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.8	162	-62.7	178.5	0	0	0	112.1	L134 L139 G143 L144 F145 H259 L501	L134-L147 HydrophobicContact CD1-CD1 4.22Å; L134-L147 HydrophobicContact CD2-CD1 3.8Å; L134-L147 HydrophobicContact CD2-CD2 4.27Å; L139-L147 HydrophobicContact CD1-CD1 4.31Å; L139-L147 HydrophobicContact CD1-CD2 4.04Å; L139-L147 HydrophobicContact CD1-CG 4.32Å; G143-L147 PolarHBondContact O-N 3.29Å; L144-L147 HydrophobicContact CD2-CD1 4.02Å; L144-L147 WeakPolarHBondContact O-CB 3.12Å; L144-L147 PolarHBondContact O-N 2.86Å; F145-L147 PolarHBondContact O-N 2.95Å; L147-H259 PolarHBondContact O-CD2 3Å; L147-L501 HydrophobicContact CD1-CD1 3.97Å
148	F	98.3	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-44.2	-177.1	-54.6	-64.6	0	0	0	112.4	F145 E146 D150 M252 N255 F256 H259 Y305 A494 N497 A498 L501	F145-F148 PolarHBondContact O-N 3.39Å; E146-F148 PolarHBondContact O-N 2.93Å; F148-D150 VanDerWaalsContact C-N 3.3Å; F148-D150 PolarHBondContact O-N 3.12Å; F148-M252 HydrophobicContact CB-CE 4.1Å; F148-N255 HydrophobicContact CD1-CB 4.31Å; F148-N255 PolarHBondContact O-ND2 3.45Å; F148-F256 HydrophobicContact CB-CE1 4.16Å; F148-F256 AromaticContact CD1-CD1 3.41Å; F148-F256 HydrophobicContact CD1-CD1 3.41Å; F148-F256 VanDerWaalsContact CD1-CD1 3.41Å; F148-F256 AromaticContact CD1-CE1 3.7Å; F148-F256 HydrophobicContact CD1-CE1 3.7Å; F148-F256 AromaticContact CE1-CD1 3.77Å; F148-F256 HydrophobicContact CE1-CD1 3.77Å; F148-F256 HydrophobicContact CE1-CE1 4.32Å; F148-F256 HydrophobicContact CG-CD1 4.18Å; F148-F256 AromaticContact CG-CE1 3.99Å; F148-F256 HydrophobicContact CG-CE1 3.99Å; F148-H259 HydrophobicContact CE1-CB 3.97Å; F148-H259 HydrophobicContact CZ-CB 4.24Å; F148-Y305 VanDerWaalsContact CE1-OH 3.25Å; F148-Y305 WeakPolarHBondContact CE1-OH 3.25Å; F148-Y305 HydrophobicContact CZ-CE2 4.08Å; F148-Y305 WeakPolarHBondContact CZ-OH 3.4Å; F148-A494 HydrophobicContact CB-CB 3.92Å; F148-A494 HydrophobicContact CD2-CB 4.37Å; F148-A494 HydrophobicContact CG-CB 4.28Å; F148-N497 HydrophobicContact CE1-CB 4.19Å; F148-N497 HydrophobicContact CE2-CB 3.81Å; F148-N497 HydrophobicContact CZ-CB 3.59Å; F148-A498 HydrophobicContact CD2-CB 4.14Å; F148-A498 HydrophobicContact CE2-CB 3.81Å; F148-L501 HydrophobicContact CE2-CD1 4.24Å; F148-L501 HydrophobicContact CZ-CD1 3.79Å
149	F	97.5	Very high	96.8	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.175	C	C	.	.	S	Bend	trans	-97.8	60.9	168.6	-76.2	-94	0	0	0	109.1	F145 E146 T153 I154 I157 L183 M252 I487 V490 I491 A494	F145-F149 HydrophobicContact CE1-CB 3.99Å; F145-F149 AromaticContact CE1-CD2 3.9Å; F145-F149 HydrophobicContact CE1-CD2 3.9Å; F145-F149 HydrophobicContact CE1-CG 4.11Å; F145-F149 AromaticContact CE2-CD2 3.72Å; F145-F149 HydrophobicContact CE2-CD2 3.72Å; F145-F149 HydrophobicContact CE2-CE2 4.05Å; F145-F149 HydrophobicContact CZ-CB 4.29Å; F145-F149 AromaticContact CZ-CD2 3.31Å; F145-F149 HydrophobicContact CZ-CD2 3.31Å; F145-F149 AromaticContact CZ-CE2 3.78Å; F145-F149 HydrophobicContact CZ-CE2 3.78Å; F145-F149 AromaticContact CZ-CG 3.92Å; F145-F149 HydrophobicContact CZ-CG 3.92Å; F145-F149 PolarHBondContact O-N 3.22Å; E146-F149 CarbonylContact O-C 3.54Å; F149-T153 HydrophobicContact CD1-CG2 4.16Å; F149-I154 HydrophobicContact CB-CD1 4.18Å; F149-I154 HydrophobicContact CB-CG1 4.47Å; F149-I154 HydrophobicContact CD1-CD1 4.21Å; F149-I157 HydrophobicContact CD1-CD1 4.3Å; F149-I157 HydrophobicContact CE1-CD1 4.01Å; F149-L183 HydrophobicContact CD1-CD1 3.95Å; F149-L183 HydrophobicContact CE1-CD1 4.29Å; F149-L183 HydrophobicContact CE1-CD2 4.42Å; F149-M252 HydrophobicContact CD2-CE 4.46Å; F149-M252 HydrophobicContact CE2-CE 4.07Å; F149-M252 HydrophobicContact CZ-CE 4.47Å; F149-I487 HydrophobicContact CE1-CD1 4.49Å; F149-I487 HydrophobicContact CZ-CD1 4.46Å; F149-V490 HydrophobicContact CE2-CG1 4.49Å; F149-V490 HydrophobicContact CZ-CG1 4.04Å; F149-I491 HydrophobicContact CE2-CG1 4.27Å; F149-I491 HydrophobicContact CZ-CG1 3.76Å; F149-A494 HydrophobicContact CD2-CB 4.06Å; F149-A494 HydrophobicContact CE2-CB 3.71Å
150	D	96.4	Very high	97.1	Very high	50 Å²	50	30.1 Å²	30.1	27%	0.267	17%	0.169	S	C	.	.			trans	-66.5	170.2	177.3	69.7	-18.9	0	0	0	111.5	E146 F148 G152 T153 I154	E146-D150 WeakPolarHBondContact O-CA 3.31Å; E146-D150 WeakPolarHBondContact O-CB 3.49Å; E146-D150 PolarHBondContact O-N 3.03Å; F148-D150 VanDerWaalsContact C-N 3.3Å; F148-D150 PolarHBondContact O-N 3.12Å; D150-G152 PolarHBondContact O-N 2.88Å; D150-T153 PolarHBondContact O-N 2.93Å; D150-T153 WeakPolarHBondContact OD1-CB 3.19Å; D150-T153 PolarHBondContact OD1-N 2.9Å; D150-T153 PolarHBondContact OD1-OG1 3.33Å; D150-I154 WeakPolarHBondContact O-CG1 3.4Å; D150-I154 PolarHBondContact O-N 3.32Å
151	E	96.1	Very high	97.3	Very high	153 Å²	153	27.9 Å²	27.9	72%	0.715	15%	0.154	S	C	*	.	H	α-helix	trans	-54.6	-38.3	178.9	-178.5	175.2	-169.3	0	0	111.7	I154 N155	E151-I154 PolarHBondContact O-N 3.41Å; E151-N155 VanDerWaalsContact CG-ND2 3.35Å; E151-N155 WeakPolarHBondContact CG-ND2 3.42Å; E151-N155 VanDerWaalsContact O-CB 3.25Å; E151-N155 WeakPolarHBondContact O-CB 3.32Å; E151-N155 VanDerWaalsContact O-CG 3.24Å; E151-N155 PolarHBondContact O-N 2.84Å; E151-N155 PolarHBondContact O-ND2 3.35Å
152	G	97.4	Very high	97.5	Very high	35 Å²	35	29 Å²	29	36%	0.361	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-44.7	175.5	0	0	0	0	0	113.2	D150 F156	D150-G152 PolarHBondContact O-N 2.88Å; G152-F156 WeakPolarHBondContact O-CB 3.29Å; G152-F156 PolarHBondContact O-N 3.16Å
153	T	97.9	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-42	178	-57.9	0	0	0	0	111.9	F149 D150 F156 I157 L248 R251 M252 N255	F149-T153 HydrophobicContact CD1-CG2 4.16Å; D150-T153 PolarHBondContact O-N 2.93Å; D150-T153 WeakPolarHBondContact OD1-CB 3.19Å; D150-T153 PolarHBondContact OD1-N 2.9Å; D150-T153 PolarHBondContact OD1-OG1 3.33Å; T153-F156 WeakPolarHBondContact O-CB 3.42Å; T153-F156 PolarHBondContact O-N 2.7Å; T153-I157 HydrophobicContact CG2-CD1 4.16Å; T153-I157 WeakPolarHBondContact O-CG1 3.32Å; T153-I157 PolarHBondContact O-N 3.46Å; T153-L248 HydrophobicContact CG2-CD1 4.4Å; T153-R251 VanDerWaalsContact OG1-CD 3.25Å; T153-R251 WeakPolarHBondContact OG1-CD 3.37Å; T153-M252 HydrophobicContact CG2-SD 4.13Å; T153-N255 PolarHBondContact OG1-ND2 2.58Å
154	I	98.1	Very high	97.6	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.168	C	C	.	.	H	α-helix	trans	-61.4	-50.9	176.2	-68.7	-65.7	0	0	0	110.4	F149 D150 E151 F156 I157 V158 A176 L179 K180 L183	F149-I154 HydrophobicContact CB-CD1 4.18Å; F149-I154 HydrophobicContact CB-CG1 4.47Å; F149-I154 HydrophobicContact CD1-CD1 4.21Å; D150-I154 WeakPolarHBondContact O-CG1 3.4Å; D150-I154 PolarHBondContact O-N 3.32Å; E151-I154 PolarHBondContact O-N 3.41Å; I154-F156 VanDerWaalsContact C-N 3.28Å; I154-F156 PolarHBondContact O-N 3.3Å; I154-I157 PolarHBondContact O-N 3.22Å; I154-V158 WeakPolarHBondContact O-CG2 3.45Å; I154-V158 PolarHBondContact O-N 3.2Å; I154-A176 HydrophobicContact CG2-CB 3.66Å; I154-L179 HydrophobicContact CD1-CD2 4.29Å; I154-L179 HydrophobicContact CG2-CD2 4.24Å; I154-K180 HydrophobicContact CD1-CG 4.38Å; I154-L183 HydrophobicContact CD1-CD1 3.58Å
155	N	98.2	Very high	97.4	Very high	58 Å²	58	33 Å²	33	31%	0.31	17%	0.167	S	C	.	.	H	α-helix	trans	-63.7	-36.1	179.4	-72.9	-24.4	0	0	0	111.9	E151 V158 N159	E151-N155 VanDerWaalsContact CG-ND2 3.35Å; E151-N155 WeakPolarHBondContact CG-ND2 3.42Å; E151-N155 VanDerWaalsContact O-CB 3.25Å; E151-N155 WeakPolarHBondContact O-CB 3.32Å; E151-N155 VanDerWaalsContact O-CG 3.24Å; E151-N155 PolarHBondContact O-N 2.84Å; E151-N155 PolarHBondContact O-ND2 3.35Å; N155-V158 PolarHBondContact O-N 2.79Å; N155-N159 WeakPolarHBondContact O-CB 3.3Å; N155-N159 PolarHBondContact O-N 3.37Å; N155-N159 PolarHBondContact O-ND2 3.01Å
156	F	98.3	Very high	97.3	Very high	28 Å²	28	42.1 Å²	42.1	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-57.9	-52.3	172.4	168.6	-102	0	0	0	111.9	G152 T153 I154 V158 N159 E160 F230 P247 L248	G152-F156 WeakPolarHBondContact O-CB 3.29Å; G152-F156 PolarHBondContact O-N 3.16Å; T153-F156 WeakPolarHBondContact O-CB 3.42Å; T153-F156 PolarHBondContact O-N 2.7Å; I154-F156 VanDerWaalsContact C-N 3.28Å; I154-F156 PolarHBondContact O-N 3.3Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 2.86Å; F156-N159 PolarHBondContact O-N 3.27Å; F156-E160 HydrophobicContact CD2-CG 4.05Å; F156-E160 HydrophobicContact CE1-CG 4.41Å; F156-E160 HydrophobicContact CE2-CG 3.45Å; F156-E160 VanDerWaalsContact CE2-CG 3.45Å; F156-E160 HydrophobicContact CZ-CG 3.64Å; F156-E160 PolarHBondContact O-N 2.89Å; F156-F230 WeakPolarHBondContact CZ-O 3.44Å; F156-P247 HydrophobicContact CE1-CB 4.39Å; F156-P247 HydrophobicContact CE2-CB 4.19Å; F156-P247 HydrophobicContact CZ-CB 3.58Å; F156-L248 HydrophobicContact CE1-CB 4.45Å
157	I	98.1	Very high	97.1	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-40.5	179.8	-62.3	166.5	0	0	0	110.8	F149 T153 I154 T161 L179 L228 F230 L248	F149-I157 HydrophobicContact CD1-CD1 4.3Å; F149-I157 HydrophobicContact CE1-CD1 4.01Å; T153-I157 HydrophobicContact CG2-CD1 4.16Å; T153-I157 WeakPolarHBondContact O-CG1 3.32Å; T153-I157 PolarHBondContact O-N 3.46Å; I154-I157 PolarHBondContact O-N 3.22Å; I157-T161 WeakPolarHBondContact O-CB 3.44Å; I157-T161 PolarHBondContact O-N 3.35Å; I157-T161 PolarHBondContact O-OG1 3.37Å; I157-L179 HydrophobicContact CB-CD2 3.6Å; I157-L179 HydrophobicContact CG2-CD1 3.95Å; I157-L179 HydrophobicContact CG2-CD2 3.53Å; I157-L179 HydrophobicContact CG2-CG 4.42Å; I157-L228 HydrophobicContact CG2-CD1 3.85Å; I157-F230 HydrophobicContact CD1-CE1 4.45Å; I157-F230 HydrophobicContact CG1-CD1 4.11Å; I157-F230 HydrophobicContact CG1-CE1 4.24Å; I157-F230 HydrophobicContact CG2-CD1 4.2Å; I157-F230 HydrophobicContact CG2-CE1 3.9Å; I157-L248 HydrophobicContact CD1-CD1 4.29Å; I157-L248 HydrophobicContact CG1-CD1 4.42Å
158	V	98.4	Very high	96.7	Very high	9 Å²	9	44.4 Å²	44.4	6%	0.055	21%	0.211	C	C	.	.	H	α-helix	trans	-58.7	-48.4	175.4	169.6	0	0	0	0	111.1	I154 N155 F156 T161 N162 L174 A176 L179	I154-V158 WeakPolarHBondContact O-CG2 3.45Å; I154-V158 PolarHBondContact O-N 3.2Å; N155-V158 PolarHBondContact O-N 2.79Å; F156-V158 VanDerWaalsContact C-N 3.32Å; F156-V158 PolarHBondContact O-N 2.86Å; V158-T161 PolarHBondContact O-N 3.44Å; V158-N162 WeakPolarHBondContact CG1-ND2 3.45Å; V158-N162 WeakPolarHBondContact O-CB 3.47Å; V158-N162 PolarHBondContact O-N 2.92Å; V158-N162 PolarHBondContact O-ND2 2.79Å; V158-L174 HydrophobicContact CG1-CG 4.35Å; V158-L174 VanDerWaalsContact CG1-O 3.24Å; V158-L174 WeakPolarHBondContact CG1-O 3.35Å; V158-L174 HydrophobicContact CG2-CD2 4.32Å; V158-L174 HydrophobicContact CG2-CG 4.32Å; V158-A176 HydrophobicContact CG2-CB 4.48Å; V158-L179 HydrophobicContact CG2-CB 3.94Å; V158-L179 HydrophobicContact CG2-CD2 3.69Å; V158-L179 HydrophobicContact CG2-CG 4.45Å
159	N	98.1	Very high	96.5	Very high	96 Å²	96	52 Å²	52	51%	0.513	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-47.9	-177.6	-71.2	-16.8	0	0	0	111.6	N155 F156 T161 N162 R163	N155-N159 WeakPolarHBondContact O-CB 3.3Å; N155-N159 PolarHBondContact O-N 3.37Å; N155-N159 PolarHBondContact O-ND2 3.01Å; F156-N159 PolarHBondContact O-N 3.27Å; N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.13Å; N159-N162 PolarHBondContact O-N 2.78Å; N159-R163 VanDerWaalsContact O-CB 3.26Å; N159-R163 WeakPolarHBondContact O-CB 3.25Å; N159-R163 PolarHBondContact O-N 3.01Å
160	E	97.6	Very high	96.4	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.093	26%	0.263	C	S	.	.	H	α-helix	trans	-67.9	-34.2	179.6	-63.2	-45.4	134.1	0	0	112.5	F156 R163 Y164 D232	F156-E160 HydrophobicContact CD2-CG 4.05Å; F156-E160 HydrophobicContact CE1-CG 4.41Å; F156-E160 HydrophobicContact CE2-CG 3.45Å; F156-E160 VanDerWaalsContact CE2-CG 3.45Å; F156-E160 HydrophobicContact CZ-CG 3.64Å; F156-E160 PolarHBondContact O-N 2.89Å; E160-R163 PolarHBondContact O-N 2.92Å; E160-R163 IonicContact OE1-NE 3.74Å; E160-R163 IonicContact OE1-NH2 2.65Å; E160-R163 IonicContact OE2-NE 2.77Å; E160-R163 PolarHBondContact OE2-NE 3.49Å; E160-Y164 WeakPolarHBondContact O-CB 2.81Å; E160-Y164 PolarHBondContact O-N 3.31Å; E160-D232 PolarHBondContact OE2-N 3.25Å
161	T	97.4	Very high	96.2	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-44	174.9	-63.4	0	0	0	0	111.8	I157 V158 N159 Y164 A165 L172 L174 Y227 H229	I157-T161 WeakPolarHBondContact O-CB 3.44Å; I157-T161 PolarHBondContact O-N 3.35Å; I157-T161 PolarHBondContact O-OG1 3.37Å; V158-T161 PolarHBondContact O-N 3.44Å; N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.13Å; T161-Y164 PolarHBondContact O-N 3.25Å; T161-A165 PolarHBondContact O-N 3.11Å; T161-L172 HydrophobicContact CG2-CD2 3.55Å; T161-L174 HydrophobicContact CG2-CD2 3.55Å; T161-Y227 WeakPolarHBondContact CG2-O 3.27Å; T161-H229 PolarHBondContact OG1-N 2.73Å; T161-H229 VanDerWaalsContact OG1-N 3.14Å; T161-H229 PolarHBondContact OG1-O 3.38Å
162	N	97.9	Very high	96.2	Very high	39 Å²	39	50.9 Å²	50.9	21%	0.209	25%	0.252	C	S	.	.	H	α-helix	trans	-66	-40	174.3	-80.6	-38.1	0	0	0	112	V158 N159 A165 W166 S173 L174	V158-N162 WeakPolarHBondContact CG1-ND2 3.45Å; V158-N162 WeakPolarHBondContact O-CB 3.47Å; V158-N162 PolarHBondContact O-N 2.92Å; V158-N162 PolarHBondContact O-ND2 2.79Å; N159-N162 PolarHBondContact O-N 2.78Å; N162-A165 PolarHBondContact O-N 3.36Å; N162-W166 WeakPolarHBondContact O-CB 3.39Å; N162-W166 PolarHBondContact O-N 3.26Å; N162-S173 PolarHBondContact OD1-N 3.48Å; N162-L174 PolarHBondContact ND2-O 3.18Å; N162-L174 WeakPolarHBondContact OD1-CB 3.24Å; N162-L174 PolarHBondContact OD1-N 3.15Å
163	R	96.8	Very high	96.1	Very high	106 Å²	106	52.6 Å²	52.6	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-49.2	175.5	-174.1	-166.5	-61.8	-103.3	-6.2	110.7	N159 E160 A165 W166 Q167 D232	N159-R163 VanDerWaalsContact O-CB 3.26Å; N159-R163 WeakPolarHBondContact O-CB 3.25Å; N159-R163 PolarHBondContact O-N 3.01Å; E160-R163 PolarHBondContact O-N 2.92Å; E160-R163 IonicContact OE1-NE 3.74Å; E160-R163 IonicContact OE1-NH2 2.65Å; E160-R163 IonicContact OE2-NE 2.77Å; E160-R163 PolarHBondContact OE2-NE 3.49Å; R163-A165 VanDerWaalsContact C-N 3.35Å; R163-A165 PolarHBondContact O-N 3.37Å; R163-W166 WeakPolarHBondContact O-CB 3.46Å; R163-W166 PolarHBondContact O-N 3.32Å; R163-W166 VanDerWaalsContact O-N 3.17Å; R163-Q167 WeakPolarHBondContact O-CG 3.37Å; R163-Q167 PolarHBondContact O-N 3.37Å; R163-D232 VanDerWaalsContact CD-CG 3.42Å; R163-D232 WeakPolarHBondContact CD-OD2 3.36Å; R163-D232 IonicContact CZ-OD2 2.83Å; R163-D232 IonicContact NE-OD2 3.92Å; R163-D232 IonicContact NH1-OD2 2.84Å; R163-D232 PolarHBondContact NH1-OD2 2.97Å
164	Y	95.4	Very high	96.1	Very high	10 Å²	10	53 Å²	53	4%	0.039	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-41.9	177.6	177	-101.5	0	0	0	112.3	D56 E160 T161 W166 Q167 K168 Y227 H229 K481	D56-Y164 HydrophobicContact CB-CE2 4.28Å; D56-Y164 VanDerWaalsContact CB-OH 3.3Å; D56-Y164 WeakPolarHBondContact CB-OH 3.3Å; E160-Y164 WeakPolarHBondContact O-CB 2.81Å; E160-Y164 PolarHBondContact O-N 3.31Å; T161-Y164 PolarHBondContact O-N 3.25Å; Y164-W166 VanDerWaalsContact C-N 3.33Å; Y164-W166 PolarHBondContact O-N 2.99Å; Y164-Q167 PolarHBondContact O-N 3.17Å; Y164-K168 HydrophobicContact CE1-CG 4.34Å; Y164-K168 HydrophobicContact CE2-CG 4.37Å; Y164-K168 PolarHBondContact O-N 2.99Å; Y164-K168 WeakPolarHBondContact OH-CE 3.43Å; Y164-Y227 AromaticContact CD1-CD1 3.76Å; Y164-Y227 HydrophobicContact CD1-CD1 3.76Å; Y164-Y227 VanDerWaalsContact CD1-O 3.26Å; Y164-Y227 WeakPolarHBondContact CD1-O 3.15Å; Y164-Y227 AromaticContact CE1-CD1 3.69Å; Y164-Y227 HydrophobicContact CE1-CD1 3.69Å; Y164-Y227 HydrophobicContact CE1-CE1 4.34Å; Y164-H229 HydrophobicContact CD1-CB 4.13Å; Y164-H229 HydrophobicContact CD2-CB 4.46Å; Y164-H229 AromaticContact CD2-CD2 3.83Å; Y164-H229 AromaticContact CD2-CE1 3.77Å; Y164-H229 AromaticContact CD2-CG 3.83Å; Y164-H229 AromaticContact CD2-ND1 3.8Å; Y164-H229 AromaticContact CD2-NE2 3.84Å; Y164-H229 HydrophobicContact CG-CB 3.78Å; Y164-H229 AromaticContact CG-CD2 3.91Å; Y164-H229 AromaticContact CG-CG 3.64Å; Y164-H229 AromaticContact CG-ND1 3.95Å; Y164-K481 VanDerWaalsContact CE1-NZ 3.29Å
165	A	94.9	Very high	96	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-43.6	173.8	0	0	0	0	0	111.9	T161 N162 R163 Q167 K168 N169 V170 L172 Y227	T161-A165 PolarHBondContact O-N 3.11Å; N162-A165 PolarHBondContact O-N 3.36Å; R163-A165 VanDerWaalsContact C-N 3.35Å; R163-A165 PolarHBondContact O-N 3.37Å; A165-Q167 PolarHBondContact O-N 3.28Å; A165-K168 CarbonylContact O-C 3.56Å; A165-K168 WeakPolarHBondContact O-CA 3.26Å; A165-K168 PolarHBondContact O-N 3.35Å; A165-N169 PolarHBondContact O-N 3.1Å; A165-V170 CarbonylContact C-O 3.43Å; A165-V170 HydrophobicContact CB-CB 4.4Å; A165-V170 WeakPolarHBondContact CB-O 3.38Å; A165-V170 PolarHBondContact O-N 3.36Å; A165-V170 VanDerWaalsContact O-O 3.07Å; A165-L172 HydrophobicContact CB-CB 3.58Å; A165-L172 HydrophobicContact CB-CD2 4.28Å; A165-Y227 HydrophobicContact CB-CD1 3.81Å; A165-Y227 HydrophobicContact CB-CE1 4.42Å; A165-Y227 HydrophobicContact CB-CG 3.97Å
166	W	95	Very high	95.9	Very high	191 Å²	191	54.9 Å²	54.9	72%	0.723	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-41.1	177.2	-174.4	86.6	0	0	0	112.4	N162 R163 Y164 K168 N169 V170	N162-W166 WeakPolarHBondContact O-CB 3.39Å; N162-W166 PolarHBondContact O-N 3.26Å; R163-W166 WeakPolarHBondContact O-CB 3.46Å; R163-W166 PolarHBondContact O-N 3.32Å; R163-W166 VanDerWaalsContact O-N 3.17Å; Y164-W166 VanDerWaalsContact C-N 3.33Å; Y164-W166 PolarHBondContact O-N 2.99Å; W166-K168 PolarHBondContact O-N 3.11Å; W166-N169 WeakPolarHBondContact O-CA 3.29Å; W166-N169 PolarHBondContact O-N 3.28Å; W166-V170 PolarHBondContact N-O 3.43Å
167	Q	92.6	Very high	95.7	Very high	47 Å²	47	56.3 Å²	56.3	22%	0.22	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-24.5	173.3	-70.5	171.1	-6.5	0	0	112.9	R163 Y164 A165 D232 N234	R163-Q167 WeakPolarHBondContact O-CG 3.37Å; R163-Q167 PolarHBondContact O-N 3.37Å; Y164-Q167 PolarHBondContact O-N 3.17Å; A165-Q167 PolarHBondContact O-N 3.28Å; Q167-D232 PolarHBondContact NE2-OD1 2.74Å; Q167-N234 PolarHBondContact NE2-ND2 2.68Å
168	K	91.1	Very high	95.6	Very high	86 Å²	86	57.8 Å²	57.8	37%	0.374	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.2	173.4	-62	-62.9	-175.2	-177.7	0	113	Y164 A165 W166 V170 Y227	Y164-K168 HydrophobicContact CE1-CG 4.34Å; Y164-K168 HydrophobicContact CE2-CG 4.37Å; Y164-K168 PolarHBondContact O-N 2.99Å; Y164-K168 WeakPolarHBondContact OH-CE 3.43Å; A165-K168 CarbonylContact O-C 3.56Å; A165-K168 WeakPolarHBondContact O-CA 3.26Å; A165-K168 PolarHBondContact O-N 3.35Å; W166-K168 PolarHBondContact O-N 3.11Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 2.97Å; K168-Y227 HydrophobicContact CB-CE1 3.84Å; K168-Y227 HydrophobicContact CG-CE1 4.17Å
169	N	93.3	Very high	95.6	Very high	159 Å²	159	57.4 Å²	57.4	85%	0.85	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	30.7	-178.7	-57.6	-60.6	0	0	0	114.4	A165 W166	A165-N169 PolarHBondContact O-N 3.1Å; W166-N169 WeakPolarHBondContact O-CA 3.29Å; W166-N169 PolarHBondContact O-N 3.28Å
170	V	94.4	Very high	95.5	Very high	41 Å²	41	55 Å²	55	25%	0.248	27%	0.274	C	S	.	.			trans	-117	126.9	176.7	175.3	0	0	0	0	110.5	A165 W166 K168 L172 Y227	A165-V170 CarbonylContact C-O 3.43Å; A165-V170 HydrophobicContact CB-CB 4.4Å; A165-V170 WeakPolarHBondContact CB-O 3.38Å; A165-V170 PolarHBondContact O-N 3.36Å; A165-V170 VanDerWaalsContact O-O 3.07Å; W166-V170 PolarHBondContact N-O 3.43Å; K168-V170 VanDerWaalsContact C-N 3.28Å; K168-V170 PolarHBondContact O-N 2.97Å; V170-L172 PolarHBondContact O-N 2.94Å; V170-Y227 HydrophobicContact CB-CE1 4.42Å; V170-Y227 HydrophobicContact CB-CE2 4.46Å; V170-Y227 HydrophobicContact CG1-CE2 4.15Å; V170-Y227 HydrophobicContact CG2-CE1 4.44Å; V170-Y227 HydrophobicContact CG2-CE2 4.44Å; V170-Y227 VanDerWaalsContact CG2-OH 3.27Å; V170-Y227 WeakPolarHBondContact CG2-OH 3.49Å
171	N	94	Very high	95.5	Very high	137 Å²	137	54.1 Å²	54.1	73%	0.733	27%	0.27	S	S	*	.			trans	-86.1	94.7	169.3	-175.4	0.8	0	0	0	109.8	S173	N171-S173 PolarHBondContact OD1-N 2.9Å; N171-S173 PolarHBondContact OD1-OG 3.47Å
172	L	95.1	Very high	95.4	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	27%	0.27	C	S	.	.			trans	-75.5	-35	-179.1	-175.7	67.8	0	0	0	112.8	T161 A165 V170 L174 R220 L223 I224 Y227	T161-L172 HydrophobicContact CG2-CD2 3.55Å; A165-L172 HydrophobicContact CB-CB 3.58Å; A165-L172 HydrophobicContact CB-CD2 4.28Å; V170-L172 PolarHBondContact O-N 2.94Å; L172-L174 HydrophobicContact CD2-CB 3.85Å; L172-L174 HydrophobicContact CD2-CD2 4.47Å; L172-L174 HydrophobicContact CG-CB 4.06Å; L172-L174 PolarHBondContact O-N 3.17Å; L172-R220 PolarHBondContact O-NH1 2.66Å; L172-R220 PolarHBondContact O-NH2 3.42Å; L172-L223 HydrophobicContact CD1-CD2 3.97Å; L172-L223 HydrophobicContact CD1-CG 3.74Å; L172-I224 HydrophobicContact CD1-CG1 4.14Å; L172-Y227 HydrophobicContact CD1-CD2 4.46Å
173	S	95.4	Very high	95.4	Very high	71 Å²	71	52.5 Å²	52.5	50%	0.497	26%	0.261	S	S	.	.			trans	47	44	-175.5	-65.7	0	0	0	0	112.7	N162 N171 R220	N162-S173 PolarHBondContact OD1-N 3.48Å; N171-S173 PolarHBondContact OD1-N 2.9Å; N171-S173 PolarHBondContact OD1-OG 3.47Å; S173-R220 PolarHBondContact O-NH2 3.29Å
174	L	97.1	Very high	95.4	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	24%	0.242	C	C	.	.			trans	-65.9	135.1	177.2	174.9	64.1	0	0	0	110.1	V158 T161 N162 L172 E178 L179 I224	V158-L174 HydrophobicContact CG1-CG 4.35Å; V158-L174 VanDerWaalsContact CG1-O 3.24Å; V158-L174 WeakPolarHBondContact CG1-O 3.35Å; V158-L174 HydrophobicContact CG2-CD2 4.32Å; V158-L174 HydrophobicContact CG2-CG 4.32Å; T161-L174 HydrophobicContact CG2-CD2 3.55Å; N162-L174 PolarHBondContact ND2-O 3.18Å; N162-L174 WeakPolarHBondContact OD1-CB 3.24Å; N162-L174 PolarHBondContact OD1-N 3.15Å; L172-L174 HydrophobicContact CD2-CB 3.85Å; L172-L174 HydrophobicContact CD2-CD2 4.47Å; L172-L174 HydrophobicContact CG-CB 4.06Å; L172-L174 PolarHBondContact O-N 3.17Å; L174-E178 HydrophobicContact CD1-CB 3.68Å; L174-L179 HydrophobicContact CD1-CB 4.42Å; L174-L179 HydrophobicContact CD2-CB 4.46Å; L174-I224 HydrophobicContact CD1-CB 4.48Å; L174-I224 HydrophobicContact CD1-CD1 3.72Å; L174-I224 HydrophobicContact CD1-CG1 3.93Å; L174-I224 HydrophobicContact CD1-CG2 3.71Å; L174-I224 HydrophobicContact CD2-CG2 4.1Å
175	T	96.4	Very high	95.4	Very high	69 Å²	69	47 Å²	47	42%	0.423	24%	0.24	S	C	.	.			trans	-105.4	159.6	173.4	66	0	0	0	0	112	Q177 E178 L179	T175-Q177 PolarHBondContact O-N 2.78Å; T175-E178 PolarHBondContact N-OE2 2.89Å; T175-E178 PolarHBondContact O-N 2.89Å; T175-E178 WeakPolarHBondContact OG1-CG 3.41Å; T175-E178 PolarHBondContact OG1-N 2.92Å; T175-E178 PolarHBondContact OG1-OE2 3.3Å; T175-L179 PolarHBondContact O-N 3.07Å
176	A	96.4	Very high	95.5	Very high	33 Å²	33	47.1 Å²	47.1	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-39.1	173.5	0	0	0	0	0	112.4	I154 V158 L179 K180	I154-A176 HydrophobicContact CG2-CB 3.66Å; V158-A176 HydrophobicContact CG2-CB 4.48Å; A176-L179 PolarHBondContact O-N 3.45Å; A176-K180 WeakPolarHBondContact O-CG 3.35Å; A176-K180 PolarHBondContact O-N 3.22Å
177	Q	94.9	Very high	95.6	Very high	57 Å²	57	38 Å²	38	27%	0.266	21%	0.207	S	C	.	.	H	α-helix	trans	-66.6	-42.8	179.1	-172.4	60	35.7	0	0	112	T175 L179 K180 C181 S527 N528	T175-Q177 PolarHBondContact O-N 2.78Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; Q177-K180 PolarHBondContact O-N 3.5Å; Q177-C181 PolarHBondContact O-N 3.1Å; Q177-C181 VanDerWaalsContact O-N 3.12Å; Q177-C181 PolarHBondContact O-SG 2.89Å; Q177-S527 VanDerWaalsContact NE2-CB 3.35Å; Q177-S527 PolarHBondContact NE2-OG 3Å; Q177-N528 HydrophobicContact CG-CB 4.15Å; Q177-N528 VanDerWaalsContact CG-OD1 3.27Å; Q177-N528 WeakPolarHBondContact CG-OD1 3.38Å
178	E	96.1	Very high	95.8	Very high	32 Å²	32	35.8 Å²	35.8	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-64.3	-38.8	174	-75.5	-179.1	125.4	0	0	111.8	L174 T175 C181 V182 R220 I224	L174-E178 HydrophobicContact CD1-CB 3.68Å; T175-E178 PolarHBondContact N-OE2 2.89Å; T175-E178 PolarHBondContact O-N 2.89Å; T175-E178 WeakPolarHBondContact OG1-CG 3.41Å; T175-E178 PolarHBondContact OG1-N 2.92Å; T175-E178 PolarHBondContact OG1-OE2 3.3Å; E178-C181 VanDerWaalsContact O-CB 3.29Å; E178-C181 WeakPolarHBondContact O-CB 2.89Å; E178-C181 PolarHBondContact O-N 3.45Å; E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 3.27Å; E178-R220 IonicContact OE1-CZ 3.62Å; E178-R220 IonicContact OE1-NE 2.81Å; E178-R220 PolarHBondContact OE1-NE 3.22Å; E178-R220 IonicContact OE1-NH2 3.84Å; E178-R220 PolarHBondContact OE1-NH2 3.26Å; E178-R220 IonicContact OE2-CZ 3.57Å; E178-R220 IonicContact OE2-NE 2.73Å; E178-R220 IonicContact OE2-NH2 2.78Å; E178-R220 PolarHBondContact OE2-NH2 3.1Å; E178-I224 HydrophobicContact CB-CD1 4.06Å
179	L	97.4	Very high	95.9	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-43.8	175	-179.9	63.4	0	0	0	111.4	I154 I157 V158 L174 T175 A176 Q177 C181 V182 L183 L228	I154-L179 HydrophobicContact CD1-CD2 4.29Å; I154-L179 HydrophobicContact CG2-CD2 4.24Å; I157-L179 HydrophobicContact CB-CD2 3.6Å; I157-L179 HydrophobicContact CG2-CD1 3.95Å; I157-L179 HydrophobicContact CG2-CD2 3.53Å; I157-L179 HydrophobicContact CG2-CG 4.42Å; V158-L179 HydrophobicContact CG2-CB 3.94Å; V158-L179 HydrophobicContact CG2-CD2 3.69Å; V158-L179 HydrophobicContact CG2-CG 4.45Å; L174-L179 HydrophobicContact CD1-CB 4.42Å; L174-L179 HydrophobicContact CD2-CB 4.46Å; T175-L179 PolarHBondContact O-N 3.07Å; A176-L179 PolarHBondContact O-N 3.45Å; Q177-L179 VanDerWaalsContact C-N 3.34Å; L179-C181 PolarHBondContact O-N 3.47Å; L179-V182 WeakPolarHBondContact O-CB 3.27Å; L179-V182 PolarHBondContact O-N 2.95Å; L179-V182 VanDerWaalsContact O-N 3.09Å; L179-L183 WeakPolarHBondContact O-CG 3.26Å; L179-L183 PolarHBondContact O-N 2.83Å; L179-L228 HydrophobicContact CD1-CD1 4.12Å
180	K	97.1	Very high	95.9	Very high	47 Å²	47	24.5 Å²	24.5	20%	0.204	14%	0.142	C	C	.	.	H	α-helix	trans	-56.6	-37.5	173.9	-72.7	-174	-177.2	-162.9	0	111.5	E146 I154 A176 Q177 L183 G184 Y524	E146-K180 IonicContact OE1-NZ 3.82Å; E146-K180 PolarHBondContact OE1-NZ 3.38Å; I154-K180 HydrophobicContact CD1-CG 4.38Å; A176-K180 WeakPolarHBondContact O-CG 3.35Å; A176-K180 PolarHBondContact O-N 3.22Å; Q177-K180 PolarHBondContact O-N 3.5Å; K180-L183 PolarHBondContact O-N 2.79Å; K180-G184 PolarHBondContact O-N 3.14Å; K180-Y524 HydrophobicContact CB-CD2 4.07Å; K180-Y524 HydrophobicContact CB-CE2 4.23Å; K180-Y524 HydrophobicContact CB-CG 4.2Å; K180-Y524 HydrophobicContact CD-CE1 4.13Å; K180-Y524 HydrophobicContact CG-CE1 4.45Å; K180-Y524 HydrophobicContact CG-CE2 4.21Å; K180-Y524 WeakPolarHBondContact O-CB 3.19Å; K180-Y524 WeakPolarHBondContact O-CD2 3.43Å
181	C	95.7	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-47.5	173.8	-61.3	0	0	0	0	112.5	Q177 E178 L179 L183 G184 I185 N528	Q177-C181 PolarHBondContact O-N 3.1Å; Q177-C181 VanDerWaalsContact O-N 3.12Å; Q177-C181 PolarHBondContact O-SG 2.89Å; E178-C181 VanDerWaalsContact O-CB 3.29Å; E178-C181 WeakPolarHBondContact O-CB 2.89Å; E178-C181 PolarHBondContact O-N 3.45Å; L179-C181 PolarHBondContact O-N 3.47Å; C181-L183 VanDerWaalsContact C-N 3.27Å; C181-L183 PolarHBondContact O-N 2.87Å; C181-G184 WeakPolarHBondContact O-CA 3.4Å; C181-G184 PolarHBondContact O-N 3.02Å; C181-I185 WeakPolarHBondContact O-CG1 2.89Å; C181-I185 PolarHBondContact O-N 3.41Å; C181-N528 WeakPolarHBondContact SG-CB 2.98Å; C181-N528 PolarHBondContact SG-ND2 2.95Å; C181-N528 VanDerWaalsContact SG-ND2 3.41Å
182	V	96.4	Very high	95.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-56.4	-46.5	176.6	172.9	0	0	0	0	109.6	E178 L179 G184 I185 L186 F221 I224 F225	E178-V182 WeakPolarHBondContact O-CG2 3.27Å; E178-V182 PolarHBondContact O-N 3.27Å; L179-V182 WeakPolarHBondContact O-CB 3.27Å; L179-V182 PolarHBondContact O-N 2.95Å; L179-V182 VanDerWaalsContact O-N 3.09Å; V182-G184 PolarHBondContact O-N 3.01Å; V182-I185 PolarHBondContact O-N 3Å; V182-L186 HydrophobicContact CG1-CD1 4.46Å; V182-L186 WeakPolarHBondContact O-CG 3.34Å; V182-L186 PolarHBondContact O-N 3.12Å; V182-F221 HydrophobicContact CB-CE2 4.49Å; V182-F221 HydrophobicContact CG1-CE2 4.06Å; V182-F221 HydrophobicContact CG2-CD2 4.05Å; V182-F221 HydrophobicContact CG2-CE2 4.38Å; V182-I224 HydrophobicContact CG2-CB 4.32Å; V182-I224 HydrophobicContact CG2-CD1 4.43Å; V182-I224 HydrophobicContact CG2-CG2 3.84Å; V182-F225 HydrophobicContact CG1-CD2 4.19Å
183	L	97.2	Very high	95.1	Very high	4 Å²	4	24.6 Å²	24.6	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-44.3	174.2	-63.8	178.2	0	0	0	111.9	F149 I154 L179 K180 C181 I185 L186 I187 I491 Y524	F149-L183 HydrophobicContact CD1-CD1 3.95Å; F149-L183 HydrophobicContact CE1-CD1 4.29Å; F149-L183 HydrophobicContact CE1-CD2 4.42Å; I154-L183 HydrophobicContact CD1-CD1 3.58Å; L179-L183 WeakPolarHBondContact O-CG 3.26Å; L179-L183 PolarHBondContact O-N 2.83Å; K180-L183 PolarHBondContact O-N 2.79Å; C181-L183 VanDerWaalsContact C-N 3.27Å; C181-L183 PolarHBondContact O-N 2.87Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 PolarHBondContact O-N 3.39Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3Å; L183-L186 VanDerWaalsContact O-N 3.14Å; L183-I187 VanDerWaalsContact O-CG1 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 3.41Å; L183-I491 HydrophobicContact CD2-CD1 3.66Å; L183-I491 HydrophobicContact CD2-CG1 4.21Å; L183-Y524 HydrophobicContact CB-CD2 4.08Å; L183-Y524 HydrophobicContact CB-CE2 4.15Å; L183-Y524 HydrophobicContact CD1-CE2 4.31Å
184	G	97.1	Very high	94.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.3	-42.5	176.6	0	0	0	0	0	112.9	K180 C181 V182 I187 L188	K180-G184 PolarHBondContact O-N 3.14Å; C181-G184 WeakPolarHBondContact O-CA 3.4Å; C181-G184 PolarHBondContact O-N 3.02Å; V182-G184 PolarHBondContact O-N 3.01Å; G184-I187 PolarHBondContact O-N 3.42Å; G184-L188 VanDerWaalsContact O-CB 3.26Å; G184-L188 WeakPolarHBondContact O-CB 3.41Å; G184-L188 PolarHBondContact O-N 3.05Å
185	I	96.4	Very high	93.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-65.2	-43.3	175.1	-64.1	173.3	0	0	0	110.7	C181 V182 L183 I187 L188 S189 W201 V212 I216 F221 I477 L525	C181-I185 WeakPolarHBondContact O-CG1 2.89Å; C181-I185 PolarHBondContact O-N 3.41Å; V182-I185 PolarHBondContact O-N 3Å; L183-I185 VanDerWaalsContact C-N 3.32Å; L183-I185 PolarHBondContact O-N 3.39Å; I185-I187 PolarHBondContact O-N 3.29Å; I185-L188 PolarHBondContact O-N 3.11Å; I185-S189 PolarHBondContact O-N 3.03Å; I185-W201 HydrophobicContact CD1-CH2 4.02Å; I185-W201 HydrophobicContact CD1-CZ2 3.69Å; I185-W201 HydrophobicContact CG2-CH2 4.37Å; I185-V212 HydrophobicContact CD1-CG1 3.77Å; I185-V212 HydrophobicContact CG1-CG1 3.95Å; I185-V212 HydrophobicContact CG1-CG2 4.33Å; I185-I216 HydrophobicContact CD1-CG2 3.51Å; I185-F221 HydrophobicContact CB-CE2 4.08Å; I185-F221 HydrophobicContact CD1-CD2 3.56Å; I185-F221 HydrophobicContact CD1-CE2 3.9Å; I185-F221 HydrophobicContact CD1-CG 4.3Å; I185-F221 HydrophobicContact CG2-CE2 3.88Å; I185-F221 HydrophobicContact CG2-CZ 4.14Å; I185-I477 HydrophobicContact CG2-CD1 3.5Å; I185-L525 HydrophobicContact CD1-CD2 4.44Å; I185-L525 HydrophobicContact CG1-CD2 3.53Å
186	L	95.9	Very high	93.1	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-45.2	176.7	-66.1	-179.9	0	0	0	111.3	V182 L183 S189 F225 V475 I477 I491	V182-L186 HydrophobicContact CG1-CD1 4.46Å; V182-L186 WeakPolarHBondContact O-CG 3.34Å; V182-L186 PolarHBondContact O-N 3.12Å; L183-L186 WeakPolarHBondContact O-CB 3.42Å; L183-L186 PolarHBondContact O-N 3Å; L183-L186 VanDerWaalsContact O-N 3.14Å; L186-S189 WeakPolarHBondContact O-CB 3.33Å; L186-S189 PolarHBondContact O-N 3.09Å; L186-S189 PolarHBondContact O-OG 3.28Å; L186-F225 HydrophobicContact CD1-CE2 4.25Å; L186-F225 HydrophobicContact CD2-CE2 3.81Å; L186-F225 HydrophobicContact CD2-CZ 4.14Å; L186-V475 HydrophobicContact CB-CG1 4.02Å; L186-V475 HydrophobicContact CD2-CG1 4.27Å; L186-I477 HydrophobicContact CD2-CB 3.81Å; L186-I477 HydrophobicContact CD2-CG2 3.73Å; L186-I491 HydrophobicContact CB-CD1 4.18Å; L186-I491 HydrophobicContact CD1-CD1 3.7Å
187	I	97.4	Very high	92.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.9	-45.4	176.6	-62.1	169.7	0	0	0	110.5	F145 L183 G184 I185 S189 G190 I491 L495 R517 V520 A521	F145-I187 HydrophobicContact CE1-CD1 4.32Å; F145-I187 HydrophobicContact CZ-CD1 4.06Å; L183-I187 VanDerWaalsContact O-CG1 3.24Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 3.41Å; G184-I187 PolarHBondContact O-N 3.42Å; I185-I187 PolarHBondContact O-N 3.29Å; I187-S189 VanDerWaalsContact C-N 3.28Å; I187-S189 PolarHBondContact O-N 3.14Å; I187-G190 PolarHBondContact O-N 3.22Å; I187-G190 VanDerWaalsContact O-N 3.1Å; I187-I491 HydrophobicContact CD1-CG2 4.32Å; I187-I491 HydrophobicContact CG1-CG2 3.66Å; I187-L495 HydrophobicContact CB-CD1 4.48Å; I187-L495 HydrophobicContact CD1-CD1 4.37Å; I187-L495 HydrophobicContact CD1-CD2 4.46Å; I187-L495 HydrophobicContact CG1-CD1 3.98Å; I187-L495 HydrophobicContact CG2-CD1 3.86Å; I187-R517 HydrophobicContact CG2-CB 4.41Å; I187-V520 HydrophobicContact CD1-CG1 3.86Å; I187-A521 HydrophobicContact CB-CB 4.23Å; I187-A521 HydrophobicContact CG2-CB 3.92Å
188	L	96.6	Very high	92.4	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-59.9	-38.9	178.5	-174.3	131.2	0	0	0	112.2	G184 I185 G190 Y191 I192 F200 L211 V212 A521 L525	G184-L188 VanDerWaalsContact O-CB 3.26Å; G184-L188 WeakPolarHBondContact O-CB 3.41Å; G184-L188 PolarHBondContact O-N 3.05Å; I185-L188 PolarHBondContact O-N 3.11Å; L188-G190 PolarHBondContact O-N 3.44Å; L188-Y191 HydrophobicContact CB-CE1 4.44Å; L188-Y191 HydrophobicContact CD1-CE2 4.42Å; L188-Y191 WeakPolarHBondContact CD1-OH 3.44Å; L188-Y191 HydrophobicContact CG-CE2 4.19Å; L188-Y191 PolarHBondContact O-N 3.37Å; L188-Y191 VanDerWaalsContact O-N 3.14Å; L188-I192 HydrophobicContact CD1-CD1 4.42Å; L188-I192 HydrophobicContact CD2-CB 4.19Å; L188-I192 HydrophobicContact CD2-CD1 4.27Å; L188-I192 HydrophobicContact CG-CD1 4.28Å; L188-I192 PolarHBondContact O-N 2.96Å; L188-F200 HydrophobicContact CD2-CD1 3.91Å; L188-F200 HydrophobicContact CD2-CE1 3.33Å; L188-F200 HydrophobicContact CD2-CZ 4.15Å; L188-L211 HydrophobicContact CD1-CD2 3.91Å; L188-V212 HydrophobicContact CD2-CG2 3.92Å; L188-A521 HydrophobicContact CB-CB 4.22Å; L188-L525 HydrophobicContact CB-CD1 4.38Å; L188-L525 HydrophobicContact CD1-CD1 3.76Å
189	S	94.4	Very high	92.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.4	-22.5	177.6	80.8	0	0	0	0	113.8	I185 L186 I187 Y191 I192 K476 I477	I185-S189 PolarHBondContact O-N 3.03Å; L186-S189 WeakPolarHBondContact O-CB 3.33Å; L186-S189 PolarHBondContact O-N 3.09Å; L186-S189 PolarHBondContact O-OG 3.28Å; I187-S189 VanDerWaalsContact C-N 3.28Å; I187-S189 PolarHBondContact O-N 3.14Å; S189-Y191 VanDerWaalsContact C-N 3.3Å; S189-Y191 PolarHBondContact O-N 3.49Å; S189-I192 CarbonylContact C-O 3.36Å; S189-I192 WeakPolarHBondContact CA-O 3.08Å; S189-K476 VanDerWaalsContact O-CB 3.32Å; S189-K476 WeakPolarHBondContact O-CB 3.37Å; S189-K476 WeakPolarHBondContact O-CG 3.25Å; S189-K476 PolarHBondContact OG-N 3.46Å; S189-I477 PolarHBondContact OG-N 2.74Å; S189-I477 VanDerWaalsContact OG-N 3.11Å
190	G	92.4	Very high	91.8	Very high	8 Å²	8	33.1 Å²	33.1	8%	0.082	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.4	-180	0	0	0	0	0	114.7	I187 L188 Y473 K474	I187-G190 PolarHBondContact O-N 3.22Å; I187-G190 VanDerWaalsContact O-N 3.1Å; L188-G190 PolarHBondContact O-N 3.44Å; G190-Y473 CarbonylContact C-O 3.47Å; G190-Y473 WeakPolarHBondContact CA-O 3.46Å; G190-Y473 CarbonylContact O-C 3.56Å; G190-Y473 WeakPolarHBondContact O-CA 3.34Å; G190-K474 WeakPolarHBondContact CA-O 3.26Å
191	Y	93.4	Very high	91.6	Very high	51 Å²	51	32.2 Å²	32.2	20%	0.2	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-11.5	-179.9	61.2	-94.7	0	0	0	113.8	L188 S189 L514 R518 A521	L188-Y191 HydrophobicContact CB-CE1 4.44Å; L188-Y191 HydrophobicContact CD1-CE2 4.42Å; L188-Y191 WeakPolarHBondContact CD1-OH 3.44Å; L188-Y191 HydrophobicContact CG-CE2 4.19Å; L188-Y191 PolarHBondContact O-N 3.37Å; L188-Y191 VanDerWaalsContact O-N 3.14Å; S189-Y191 VanDerWaalsContact C-N 3.3Å; S189-Y191 PolarHBondContact O-N 3.49Å; Y191-L514 HydrophobicContact CD1-CD1 4.16Å; Y191-L514 HydrophobicContact CD2-CD1 4.29Å; Y191-L514 HydrophobicContact CG-CD1 3.74Å; Y191-R518 HydrophobicContact CD1-CG 4.45Å; Y191-R518 HydrophobicContact CD2-CG 4.13Å; Y191-R518 HydrophobicContact CE1-CG 4.04Å; Y191-R518 HydrophobicContact CE2-CG 3.75Å; Y191-R518 HydrophobicContact CG-CG 4.49Å; Y191-A521 HydrophobicContact CE1-CB 4.32Å; Y191-A521 WeakPolarHBondContact OH-CB 3.37Å
192	I	91.1	Very high	91.3	Very high	49 Å²	49	36.1 Å²	36.1	25%	0.251	18%	0.176	S	C	.	.	S	Bend	trans	-120.6	117.8	166.5	-65.4	174.1	0	0	0	107.2	L188 S189 Y194 F200 H209	L188-I192 HydrophobicContact CD1-CD1 4.42Å; L188-I192 HydrophobicContact CD2-CB 4.19Å; L188-I192 HydrophobicContact CD2-CD1 4.27Å; L188-I192 HydrophobicContact CG-CD1 4.28Å; L188-I192 PolarHBondContact O-N 2.96Å; S189-I192 CarbonylContact C-O 3.36Å; S189-I192 WeakPolarHBondContact CA-O 3.08Å; I192-Y194 HydrophobicContact CG2-CD2 4.49Å; I192-Y194 HydrophobicContact CG2-CE2 4Å; I192-F200 HydrophobicContact CB-CE1 4.39Å; I192-F200 HydrophobicContact CG2-CE1 3.82Å; I192-F200 HydrophobicContact CG2-CZ 4.31Å; I192-F200 WeakPolarHBondContact O-CZ 3.34Å; I192-H209 WeakPolarHBondContact CD1-NE2 3.04Å
193	S	81.5	Confident	90.9	Very high	83 Å²	83	41.8 Å²	41.8	58%	0.58	21%	0.211	S	C	*	.			trans	-122.1	124.2	179.7	-168.8	0	0	0	0	109.7
194	Y	84.6	Confident	90.3	Very high	53 Å²	53	44 Å²	44	21%	0.208	23%	0.226	C	C	.	.			trans	-99.2	156.1	166.7	-66.7	-66.3	0	0	0	110.7	I192 R196 M199 F200 S207 H209	I192-Y194 HydrophobicContact CG2-CD2 4.49Å; I192-Y194 HydrophobicContact CG2-CE2 4Å; Y194-R196 PolarHBondContact O-N 3.33Å; Y194-M199 HydrophobicContact CD1-CB 4.2Å; Y194-M199 HydrophobicContact CD1-CE 4.33Å; Y194-M199 HydrophobicContact CD2-CB 4.17Å; Y194-M199 HydrophobicContact CG-CB 3.77Å; Y194-F200 AromaticContact CD2-CD1 3.58Å; Y194-F200 HydrophobicContact CD2-CD1 3.58Å; Y194-F200 AromaticContact CD2-CD2 3.87Å; Y194-F200 HydrophobicContact CD2-CD2 3.87Å; Y194-F200 AromaticContact CD2-CE1 3.5Å; Y194-F200 HydrophobicContact CD2-CE1 3.5Å; Y194-F200 VanDerWaalsContact CD2-CE1 3.5Å; Y194-F200 AromaticContact CD2-CE2 3.79Å; Y194-F200 HydrophobicContact CD2-CE2 3.79Å; Y194-F200 AromaticContact CD2-CG 3.75Å; Y194-F200 HydrophobicContact CD2-CG 3.75Å; Y194-F200 AromaticContact CD2-CZ 3.61Å; Y194-F200 HydrophobicContact CD2-CZ 3.61Å; Y194-F200 AromaticContact CE2-CD1 3.37Å; Y194-F200 HydrophobicContact CE2-CD1 3.37Å; Y194-F200 HydrophobicContact CE2-CD2 4.47Å; Y194-F200 AromaticContact CE2-CE1 3.44Å; Y194-F200 HydrophobicContact CE2-CE1 3.44Å; Y194-F200 VanDerWaalsContact CE2-CE1 3.44Å; Y194-F200 AromaticContact CE2-CG 3.9Å; Y194-F200 HydrophobicContact CE2-CG 3.9Å; Y194-F200 HydrophobicContact CE2-CZ 4.05Å; Y194-S207 PolarHBondContact OH-O 2.98Å; Y194-H209 HydrophobicContact CE2-CB 4.41Å
195	P	80.9	Confident	89.5	Confident	108 Å²	108	50.5 Å²	50.5	70%	0.701	27%	0.269	S	S	*	.	S	Bend	trans	-56.6	-31.4	173.6	-28	34.9	0	0	0	114.3	M199	P195-M199 HydrophobicContact CB-SD 4.28Å; P195-M199 HydrophobicContact CG-SD 4.24Å
196	R	82.3	Confident	88.8	Confident	139 Å²	139	57 Å²	57	53%	0.525	30%	0.304	S	S	.	.	S	Bend	trans	-133.8	138.7	178.1	-54	173.5	-167.7	-166.6	13.7	109.1	D63 Y194 R198 M199	D63-R196 VanDerWaalsContact OD1-CD 3.26Å; D63-R196 WeakPolarHBondContact OD1-CD 3.43Å; D63-R196 IonicContact OD1-CZ 3.54Å; D63-R196 IonicContact OD1-NE 2.63Å; D63-R196 IonicContact OD1-NH1 3.78Å; D63-R196 PolarHBondContact OD1-NH1 3.33Å; Y194-R196 PolarHBondContact O-N 3.33Å; R196-R198 PolarHBondContact O-N 2.76Å; R196-M199 HydrophobicContact CB-CG 4.17Å; R196-M199 HydrophobicContact CB-SD 4.39Å; R196-M199 VanDerWaalsContact O-CB 3.29Å; R196-M199 WeakPolarHBondContact O-CB 3.38Å; R196-M199 PolarHBondContact O-N 3.41Å
197	R	86.8	Confident	88.2	Confident	31 Å²	31	57.2 Å²	57.2	12%	0.117	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-61.3	-31.3	-177.8	72.2	-178.5	-174.3	-145	-1.3	113.3	M199 F200 W201 E222 I477 R478	R197-M199 PolarHBondContact O-N 2.99Å; R197-M199 VanDerWaalsContact O-N 3.11Å; R197-F200 VanDerWaalsContact O-CD2 3.25Å; R197-F200 WeakPolarHBondContact O-CD2 3.4Å; R197-F200 PolarHBondContact O-N 2.72Å; R197-W201 WeakPolarHBondContact O-CZ3 3.48Å; R197-E222 IonicContact CZ-OE1 3.7Å; R197-E222 IonicContact CZ-OE2 3.73Å; R197-E222 IonicContact NE-OE1 2.77Å; R197-E222 PolarHBondContact NE-OE1 2.88Å; R197-E222 IonicContact NE-OE2 3.16Å; R197-E222 PolarHBondContact NE-OE2 2.78Å; R197-E222 IonicContact NH2-OE1 3Å; R197-E222 IonicContact NH2-OE2 3.9Å; R197-E222 PolarHBondContact NH2-OE2 3.34Å; R197-I477 HydrophobicContact CB-CG1 4.11Å; R197-R478 PolarHBondContact NH1-O 3.26Å; R197-R478 VanDerWaalsContact NH1-O 3.16Å
198	R	89.6	Confident	87.6	Confident	73 Å²	73	59.8 Å²	59.8	28%	0.275	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-62.7	-19.7	178.1	-67.9	-180	175.8	161	0.1	113.5	D61 D63 R196 F200 W201	D61-R198 IonicContact OD1-CZ 2.73Å; D61-R198 IonicContact OD1-NH1 3.34Å; D61-R198 IonicContact OD1-NH2 3.46Å; D61-R198 IonicContact OD2-CZ 2.56Å; D61-R198 IonicContact OD2-NH1 3.5Å; D61-R198 PolarHBondContact OD2-NH1 3.3Å; D61-R198 IonicContact OD2-NH2 2.83Å; D61-R198 PolarHBondContact OD2-NH2 3.49Å; D63-R198 IonicContact OD2-CZ 2.68Å; D63-R198 IonicContact OD2-NH1 2.91Å; D63-R198 PolarHBondContact OD2-NH1 3.13Å; R196-R198 PolarHBondContact O-N 2.76Å; R198-F200 PolarHBondContact O-N 3.47Å; R198-W201 PolarHBondContact O-N 2.88Å
199	M	89.8	Confident	87.3	Confident	42 Å²	42	61 Å²	61	21%	0.207	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-64.2	-20.7	178.5	-67.1	-177.8	70.5	0	0	114.2	Y194 P195 R196 R197 W201 E202	Y194-M199 HydrophobicContact CD1-CB 4.2Å; Y194-M199 HydrophobicContact CD1-CE 4.33Å; Y194-M199 HydrophobicContact CD2-CB 4.17Å; Y194-M199 HydrophobicContact CG-CB 3.77Å; P195-M199 HydrophobicContact CB-SD 4.28Å; P195-M199 HydrophobicContact CG-SD 4.24Å; R196-M199 HydrophobicContact CB-CG 4.17Å; R196-M199 HydrophobicContact CB-SD 4.39Å; R196-M199 VanDerWaalsContact O-CB 3.29Å; R196-M199 WeakPolarHBondContact O-CB 3.38Å; R196-M199 PolarHBondContact O-N 3.41Å; R197-M199 PolarHBondContact O-N 2.99Å; R197-M199 VanDerWaalsContact O-N 3.11Å; M199-W201 PolarHBondContact O-N 3.27Å; M199-W201 VanDerWaalsContact O-N 3.08Å; M199-E202 HydrophobicContact CB-CG 4.3Å; M199-E202 HydrophobicContact CG-CG 4.22Å; M199-E202 PolarHBondContact O-N 2.77Å; M199-E202 VanDerWaalsContact O-N 3.11Å
200	F	90.6	Very high	87	Confident	3 Å²	3	65.6 Å²	65.6	1%	0.013	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59.9	-19.5	171.3	-75.1	-74.4	0	0	0	113.2	L188 I192 Y194 R197 R198 H209 V212 I477	L188-F200 HydrophobicContact CD2-CD1 3.91Å; L188-F200 HydrophobicContact CD2-CE1 3.33Å; L188-F200 HydrophobicContact CD2-CZ 4.15Å; I192-F200 HydrophobicContact CB-CE1 4.39Å; I192-F200 HydrophobicContact CG2-CE1 3.82Å; I192-F200 HydrophobicContact CG2-CZ 4.31Å; I192-F200 WeakPolarHBondContact O-CZ 3.34Å; Y194-F200 AromaticContact CD2-CD1 3.58Å; Y194-F200 HydrophobicContact CD2-CD1 3.58Å; Y194-F200 AromaticContact CD2-CD2 3.87Å; Y194-F200 HydrophobicContact CD2-CD2 3.87Å; Y194-F200 AromaticContact CD2-CE1 3.5Å; Y194-F200 HydrophobicContact CD2-CE1 3.5Å; Y194-F200 VanDerWaalsContact CD2-CE1 3.5Å; Y194-F200 AromaticContact CD2-CE2 3.79Å; Y194-F200 HydrophobicContact CD2-CE2 3.79Å; Y194-F200 AromaticContact CD2-CG 3.75Å; Y194-F200 HydrophobicContact CD2-CG 3.75Å; Y194-F200 AromaticContact CD2-CZ 3.61Å; Y194-F200 HydrophobicContact CD2-CZ 3.61Å; Y194-F200 AromaticContact CE2-CD1 3.37Å; Y194-F200 HydrophobicContact CE2-CD1 3.37Å; Y194-F200 HydrophobicContact CE2-CD2 4.47Å; Y194-F200 AromaticContact CE2-CE1 3.44Å; Y194-F200 HydrophobicContact CE2-CE1 3.44Å; Y194-F200 VanDerWaalsContact CE2-CE1 3.44Å; Y194-F200 AromaticContact CE2-CG 3.9Å; Y194-F200 HydrophobicContact CE2-CG 3.9Å; Y194-F200 HydrophobicContact CE2-CZ 4.05Å; R197-F200 VanDerWaalsContact O-CD2 3.25Å; R197-F200 WeakPolarHBondContact O-CD2 3.4Å; R197-F200 PolarHBondContact O-N 2.72Å; R198-F200 PolarHBondContact O-N 3.47Å; F200-H209 HydrophobicContact CD1-CB 4.33Å; F200-V212 HydrophobicContact CB-CB 4.24Å; F200-V212 HydrophobicContact CB-CG1 3.79Å; F200-V212 HydrophobicContact CD1-CG2 4.02Å; F200-V212 HydrophobicContact CG-CG1 4.49Å; F200-I477 HydrophobicContact CD2-CD1 3.93Å; F200-I477 HydrophobicContact CE2-CD1 3.6Å; F200-I477 HydrophobicContact CE2-CG1 4.09Å; F200-I477 HydrophobicContact CZ-CD1 4.42Å
201	W	93.3	Very high	86.9	Confident	27 Å²	27	67.1 Å²	67.1	10%	0.102	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-112.1	4.9	178.1	-65	-91.6	0	0	0	113.8	I185 R197 R198 M199 V212 I216 R218 F221	I185-W201 HydrophobicContact CD1-CH2 4.02Å; I185-W201 HydrophobicContact CD1-CZ2 3.69Å; I185-W201 HydrophobicContact CG2-CH2 4.37Å; R197-W201 WeakPolarHBondContact O-CZ3 3.48Å; R198-W201 PolarHBondContact O-N 2.88Å; M199-W201 PolarHBondContact O-N 3.27Å; M199-W201 VanDerWaalsContact O-N 3.08Å; W201-V212 HydrophobicContact CD2-CG1 4.22Å; W201-V212 HydrophobicContact CH2-CG1 4.01Å; W201-V212 HydrophobicContact CZ2-CG1 3.51Å; W201-I216 HydrophobicContact CZ2-CG2 4.1Å; W201-I216 PolarHBondContact NE1-O 3.3Å; W201-R218 HydrophobicContact CB-CB 3.87Å; W201-R218 HydrophobicContact CB-CG 4.2Å; W201-R218 HydrophobicContact CD2-CB 3.83Å; W201-R218 HydrophobicContact CD2-CG 3.98Å; W201-R218 HydrophobicContact CE3-CB 4.4Å; W201-R218 HydrophobicContact CE3-CG 4.03Å; W201-R218 HydrophobicContact CG-CB 3.56Å; W201-R218 HydrophobicContact CG-CG 4.06Å; W201-F221 HydrophobicContact CH2-CB 3.92Å; W201-F221 AromaticContact CH2-CD1 3.33Å; W201-F221 HydrophobicContact CH2-CD1 3.33Å; W201-F221 HydrophobicContact CH2-CD2 4.03Å; W201-F221 AromaticContact CH2-CE1 3.81Å; W201-F221 HydrophobicContact CH2-CE1 3.81Å; W201-F221 HydrophobicContact CH2-CE2 4.42Å; W201-F221 AromaticContact CH2-CG 3.47Å; W201-F221 HydrophobicContact CH2-CG 3.47Å; W201-F221 VanDerWaalsContact CH2-CG 3.47Å; W201-F221 HydrophobicContact CH2-CZ 4.33Å; W201-F221 HydrophobicContact CZ2-CB 3.65Å; W201-F221 HydrophobicContact CZ2-CD1 4.01Å; W201-F221 HydrophobicContact CZ2-CD2 4.24Å; W201-F221 AromaticContact CZ2-CG 3.69Å; W201-F221 HydrophobicContact CZ2-CG 3.69Å; W201-F221 HydrophobicContact CZ3-CD1 4.03Å; W201-F221 HydrophobicContact CZ3-CE1 4.36Å
202	E	89.3	Confident	86.8	Confident	83 Å²	83	64.7 Å²	64.7	39%	0.388	34%	0.34	S	S	.	.			trans	-61.1	147.5	176.6	-82	-68.4	172.8	0	0	110.7	M199 S207 H208	M199-E202 HydrophobicContact CB-CG 4.3Å; M199-E202 HydrophobicContact CG-CG 4.22Å; M199-E202 PolarHBondContact O-N 2.77Å; M199-E202 VanDerWaalsContact O-N 3.11Å; E202-S207 WeakPolarHBondContact CB-OG 3.24Å; E202-H208 WeakPolarHBondContact O-CA 3.32Å; E202-H208 VanDerWaalsContact O-CB 3.23Å; E202-H208 WeakPolarHBondContact O-CB 3.34Å; E202-H208 VanDerWaalsContact O-CG 3.31Å; E202-H208 PolarHBondContact O-ND1 3.38Å
203	T	88	Confident	86.8	Confident	119 Å²	119	63.6 Å²	63.6	73%	0.73	34%	0.339	S	S	*	.			trans	-96.4	-6.9	-179.2	56.8	0	0	0	0	112.7
204	S	83.8	Confident	87.2	Confident	50 Å²	50	63.3 Å²	63.3	35%	0.35	33%	0.331	S	S	.	.	S	Bend	trans	-64.9	136.2	178.3	-58.4	0	0	0	0	110.9	D206 S207 H208	S204-D206 WeakPolarHBondContact CB-OD1 3.39Å; S204-D206 PolarHBondContact O-N 3.18Å; S204-S207 PolarHBondContact O-N 2.59Å; S204-S207 VanDerWaalsContact O-N 3.09Å; S204-H208 WeakPolarHBondContact O-CB 3.35Å; S204-H208 PolarHBondContact O-N 2.84Å
205	P	81.6	Confident	87.6	Confident	138 Å²	138	60.8 Å²	60.8	90%	0.896	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-22.5	-174.6	-26.6	34.6	0	0	0	115.6
206	D	81.7	Confident	88.2	Confident	137 Å²	137	56.1 Å²	56.1	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-19.5	-179.5	66.9	-36.3	0	0	0	113.7	S204	S204-D206 WeakPolarHBondContact CB-OD1 3.39Å; S204-D206 PolarHBondContact O-N 3.18Å
207	S	82.8	Confident	88.8	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.042	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-16.7	-170.7	47.2	0	0	0	0	114.3	Y194 E202 S204 H209	Y194-S207 PolarHBondContact OH-O 2.98Å; E202-S207 WeakPolarHBondContact CB-OG 3.24Å; S204-S207 PolarHBondContact O-N 2.59Å; S204-S207 VanDerWaalsContact O-N 3.09Å; S207-H209 PolarHBondContact O-N 3.12Å
208	H	85.7	Confident	89.1	Confident	54 Å²	54	63.2 Å²	63.2	25%	0.25	32%	0.317	C	S	.	.			trans	-59.6	121.1	-177.8	-173.2	65.4	0	0	0	113.1	E202 S204 H210	E202-H208 WeakPolarHBondContact O-CA 3.32Å; E202-H208 VanDerWaalsContact O-CB 3.23Å; E202-H208 WeakPolarHBondContact O-CB 3.34Å; E202-H208 VanDerWaalsContact O-CG 3.31Å; E202-H208 PolarHBondContact O-ND1 3.38Å; S204-H208 WeakPolarHBondContact O-CB 3.35Å; S204-H208 PolarHBondContact O-N 2.84Å; H208-H210 AromaticContact CD2-CD2 3.99Å; H208-H210 AromaticContact CD2-CE1 3.24Å; H208-H210 PolarHBondContact CD2-CE1 3.37Å; H208-H210 AromaticContact CD2-CG 3.86Å; H208-H210 AromaticContact CD2-ND1 3.39Å; H208-H210 PolarHBondContact CD2-ND1 3.39Å; H208-H210 AromaticContact CD2-NE2 3.65Å; H208-H210 AromaticContact NE2-CE1 3.38Å; H208-H210 PolarHBondContact NE2-CE1 2.68Å; H208-H210 AromaticContact NE2-CG 3.89Å; H208-H210 AromaticContact NE2-ND1 3.15Å; H208-H210 PolarHBondContact NE2-ND1 2.95Å; H208-H210 VanDerWaalsContact NE2-ND1 3.15Å
209	H	89.2	Confident	89.2	Confident	28 Å²	28	64.7 Å²	64.7	13%	0.13	33%	0.33	C	S	.	.			trans	-111.1	88.9	-178.9	-161.5	-67.5	0	0	0	111.4	I192 Y194 F200 S207 L211 V212 A213	I192-H209 WeakPolarHBondContact CD1-NE2 3.04Å; Y194-H209 HydrophobicContact CE2-CB 4.41Å; F200-H209 HydrophobicContact CD1-CB 4.33Å; S207-H209 PolarHBondContact O-N 3.12Å; H209-L211 VanDerWaalsContact C-N 3.28Å; H209-L211 PolarHBondContact O-N 3.1Å; H209-L211 VanDerWaalsContact O-N 3.12Å; H209-V212 PolarHBondContact O-N 2.81Å; H209-A213 PolarHBondContact O-N 3.24Å
210	H	88.1	Confident	89.4	Confident	96 Å²	96	65.5 Å²	65.5	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-46.2	-47	-175.8	-71.2	-67	0	0	0	114	H208 V212 A213 D214	H208-H210 AromaticContact CD2-CD2 3.99Å; H208-H210 AromaticContact CD2-CE1 3.24Å; H208-H210 PolarHBondContact CD2-CE1 3.37Å; H208-H210 AromaticContact CD2-CG 3.86Å; H208-H210 AromaticContact CD2-ND1 3.39Å; H208-H210 PolarHBondContact CD2-ND1 3.39Å; H208-H210 AromaticContact CD2-NE2 3.65Å; H208-H210 AromaticContact NE2-CE1 3.38Å; H208-H210 PolarHBondContact NE2-CE1 2.68Å; H208-H210 AromaticContact NE2-CG 3.89Å; H208-H210 AromaticContact NE2-ND1 3.15Å; H208-H210 PolarHBondContact NE2-ND1 2.95Å; H208-H210 VanDerWaalsContact NE2-ND1 3.15Å; H210-V212 PolarHBondContact O-N 3.17Å; H210-A213 PolarHBondContact O-N 3.27Å; H210-D214 WeakPolarHBondContact O-CB 3.43Å; H210-D214 VanDerWaalsContact O-CG 3.25Å; H210-D214 PolarHBondContact O-N 2.8Å
211	L	89.8	Confident	89.6	Confident	39 Å²	39	65.4 Å²	65.4	20%	0.204	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-29.5	-177.1	-174.8	65.5	0	0	0	113.3	L188 H209 A215 C522 L525 E526	L188-L211 HydrophobicContact CD1-CD2 3.91Å; H209-L211 VanDerWaalsContact C-N 3.28Å; H209-L211 PolarHBondContact O-N 3.1Å; H209-L211 VanDerWaalsContact O-N 3.12Å; L211-A215 VanDerWaalsContact O-CB 3.28Å; L211-A215 WeakPolarHBondContact O-CB 3.37Å; L211-C522 HydrophobicContact CD2-CB 4.47Å; L211-L525 HydrophobicContact CD1-CB 3.85Å; L211-L525 HydrophobicContact CD2-CB 4.39Å; L211-L525 HydrophobicContact CD2-CD1 3.72Å; L211-L525 HydrophobicContact CG-CB 3.77Å; L211-L525 HydrophobicContact CG-CD1 3.68Å; L211-L525 HydrophobicContact CG-CG 4.36Å; L211-E526 HydrophobicContact CD1-CG 3.73Å
212	V	93.2	Very high	89.6	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-90.6	-47.5	179	175	0	0	0	0	110.4	I185 L188 F200 W201 H209 H210 D214 A215 I216 L525	I185-V212 HydrophobicContact CD1-CG1 3.77Å; I185-V212 HydrophobicContact CG1-CG1 3.95Å; I185-V212 HydrophobicContact CG1-CG2 4.33Å; L188-V212 HydrophobicContact CD2-CG2 3.92Å; F200-V212 HydrophobicContact CB-CB 4.24Å; F200-V212 HydrophobicContact CB-CG1 3.79Å; F200-V212 HydrophobicContact CD1-CG2 4.02Å; F200-V212 HydrophobicContact CG-CG1 4.49Å; W201-V212 HydrophobicContact CD2-CG1 4.22Å; W201-V212 HydrophobicContact CH2-CG1 4.01Å; W201-V212 HydrophobicContact CZ2-CG1 3.51Å; H209-V212 PolarHBondContact O-N 2.81Å; H210-V212 PolarHBondContact O-N 3.17Å; V212-D214 VanDerWaalsContact C-N 3.29Å; V212-D214 PolarHBondContact O-N 3.32Å; V212-A215 PolarHBondContact O-N 2.92Å; V212-A215 VanDerWaalsContact O-N 3.16Å; V212-I216 PolarHBondContact O-N 3.11Å; V212-L525 HydrophobicContact CG2-CD1 4.21Å
213	A	90.9	Very high	89.8	Confident	26 Å²	26	64.6 Å²	64.6	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-35.2	-177.9	0	0	0	0	0	113	H209 H210	H209-A213 PolarHBondContact O-N 3.24Å; H210-A213 PolarHBondContact O-N 3.27Å
214	D	90.1	Very high	90.1	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-25.6	177.6	-67.3	-14.3	0	0	0	112.6	H210 V212 A529	H210-D214 WeakPolarHBondContact O-CB 3.43Å; H210-D214 VanDerWaalsContact O-CG 3.25Å; H210-D214 PolarHBondContact O-N 2.8Å; V212-D214 VanDerWaalsContact C-N 3.29Å; V212-D214 PolarHBondContact O-N 3.32Å; D214-A529 HydrophobicContact CB-CB 4.42Å
215	A	92.7	Very high	90.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-42.1	-176.6	0	0	0	0	0	112.6	L211 V212 L525 N528	L211-A215 VanDerWaalsContact O-CB 3.28Å; L211-A215 WeakPolarHBondContact O-CB 3.37Å; V212-A215 PolarHBondContact O-N 2.92Å; V212-A215 VanDerWaalsContact O-N 3.16Å; A215-L525 HydrophobicContact CB-CB 4.16Å; A215-L525 HydrophobicContact CB-CD2 4.08Å; A215-L525 VanDerWaalsContact CB-O 3.25Å; A215-L525 WeakPolarHBondContact CB-O 3.24Å; A215-N528 PolarHBondContact O-ND2 2.83Å
216	I	93.5	Very high	90.9	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.046	25%	0.252	C	S	.	.	S	Bend	trans	-152.8	144.6	-179	-166.7	169.7	0	0	0	110.3	I185 W201 V212 R220 F221 I224	I185-I216 HydrophobicContact CD1-CG2 3.51Å; W201-I216 HydrophobicContact CZ2-CG2 4.1Å; W201-I216 PolarHBondContact NE1-O 3.3Å; V212-I216 PolarHBondContact O-N 3.11Å; I216-R220 HydrophobicContact CD1-CB 4.5Å; I216-R220 HydrophobicContact CD1-CG 4.05Å; I216-R220 HydrophobicContact CG1-CB 4.15Å; I216-R220 HydrophobicContact CG1-CG 4.06Å; I216-F221 HydrophobicContact CD1-CB 4.42Å; I216-F221 HydrophobicContact CG2-CB 4.14Å; I216-I224 HydrophobicContact CD1-CD1 3.94Å
217	R	93.4	Very high	91.5	Very high	213 Å²	213	48.3 Å²	48.3	80%	0.804	23%	0.226	S	C	*	.			trans	-69.1	142.6	174.7	-69	-175.4	176.5	163.7	-0	110.8	D219 R220 F221	R217-D219 PolarHBondContact O-N 3.1Å; R217-R220 HydrophobicContact CB-CB 4.31Å; R217-R220 WeakPolarHBondContact O-CB 3.35Å; R217-R220 PolarHBondContact O-N 3.07Å; R217-F221 PolarHBondContact O-N 3.4Å
218	R	93.3	Very high	92.1	Very high	107 Å²	107	48.6 Å²	48.6	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-46.7	-56.1	177.3	-173.2	-167	65.9	-166.7	-3.2	112.4	W201 R220 F221 E222	W201-R218 HydrophobicContact CB-CB 3.87Å; W201-R218 HydrophobicContact CB-CG 4.2Å; W201-R218 HydrophobicContact CD2-CB 3.83Å; W201-R218 HydrophobicContact CD2-CG 3.98Å; W201-R218 HydrophobicContact CE3-CB 4.4Å; W201-R218 HydrophobicContact CE3-CG 4.03Å; W201-R218 HydrophobicContact CG-CB 3.56Å; W201-R218 HydrophobicContact CG-CG 4.06Å; R218-R220 PolarHBondContact O-N 3.35Å; R218-F221 WeakPolarHBondContact O-CB 3.48Å; R218-F221 PolarHBondContact O-N 2.94Å; R218-F221 VanDerWaalsContact O-N 3.12Å; R218-E222 HydrophobicContact CG-CG 4.45Å; R218-E222 WeakPolarHBondContact O-CG 3.06Å; R218-E222 PolarHBondContact O-N 2.97Å
219	D	92.6	Very high	92.5	Very high	104 Å²	104	46 Å²	46	56%	0.556	22%	0.215	S	C	*	.	H	α-helix	trans	-66.9	-28	-174.2	-56.1	-15.7	0	0	0	112	R217 L223	R217-D219 PolarHBondContact O-N 3.1Å; D219-L223 VanDerWaalsContact O-CB 3.25Å; D219-L223 WeakPolarHBondContact O-CB 3.4Å; D219-L223 PolarHBondContact O-N 3.41Å
220	R	94.8	Very high	92.8	Very high	59 Å²	59	44.8 Å²	44.8	22%	0.223	21%	0.209	C	C	.	.	H	α-helix	trans	-72.7	-42.1	174	-177.6	58.8	174.1	170.3	4.6	111.3	L172 S173 E178 I216 R217 R218 L223 I224	L172-R220 PolarHBondContact O-NH1 2.66Å; L172-R220 PolarHBondContact O-NH2 3.42Å; S173-R220 PolarHBondContact O-NH2 3.29Å; E178-R220 IonicContact OE1-CZ 3.62Å; E178-R220 IonicContact OE1-NE 2.81Å; E178-R220 PolarHBondContact OE1-NE 3.22Å; E178-R220 IonicContact OE1-NH2 3.84Å; E178-R220 PolarHBondContact OE1-NH2 3.26Å; E178-R220 IonicContact OE2-CZ 3.57Å; E178-R220 IonicContact OE2-NE 2.73Å; E178-R220 IonicContact OE2-NH2 2.78Å; E178-R220 PolarHBondContact OE2-NH2 3.1Å; I216-R220 HydrophobicContact CD1-CB 4.5Å; I216-R220 HydrophobicContact CD1-CG 4.05Å; I216-R220 HydrophobicContact CG1-CB 4.15Å; I216-R220 HydrophobicContact CG1-CG 4.06Å; R217-R220 HydrophobicContact CB-CB 4.31Å; R217-R220 WeakPolarHBondContact O-CB 3.35Å; R217-R220 PolarHBondContact O-N 3.07Å; R218-R220 PolarHBondContact O-N 3.35Å; R220-L223 PolarHBondContact O-N 3.08Å; R220-I224 HydrophobicContact CG-CD1 3.94Å; R220-I224 VanDerWaalsContact O-CG1 3.3Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 2.93Å
221	F	94.9	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-50.8	172.5	170.6	-93.3	0	0	0	111	V182 I185 W201 I216 R217 R218 L223 I224 F225 I477	V182-F221 HydrophobicContact CB-CE2 4.49Å; V182-F221 HydrophobicContact CG1-CE2 4.06Å; V182-F221 HydrophobicContact CG2-CD2 4.05Å; V182-F221 HydrophobicContact CG2-CE2 4.38Å; I185-F221 HydrophobicContact CB-CE2 4.08Å; I185-F221 HydrophobicContact CD1-CD2 3.56Å; I185-F221 HydrophobicContact CD1-CE2 3.9Å; I185-F221 HydrophobicContact CD1-CG 4.3Å; I185-F221 HydrophobicContact CG2-CE2 3.88Å; I185-F221 HydrophobicContact CG2-CZ 4.14Å; W201-F221 HydrophobicContact CH2-CB 3.92Å; W201-F221 AromaticContact CH2-CD1 3.33Å; W201-F221 HydrophobicContact CH2-CD1 3.33Å; W201-F221 HydrophobicContact CH2-CD2 4.03Å; W201-F221 AromaticContact CH2-CE1 3.81Å; W201-F221 HydrophobicContact CH2-CE1 3.81Å; W201-F221 HydrophobicContact CH2-CE2 4.42Å; W201-F221 AromaticContact CH2-CG 3.47Å; W201-F221 HydrophobicContact CH2-CG 3.47Å; W201-F221 VanDerWaalsContact CH2-CG 3.47Å; W201-F221 HydrophobicContact CH2-CZ 4.33Å; W201-F221 HydrophobicContact CZ2-CB 3.65Å; W201-F221 HydrophobicContact CZ2-CD1 4.01Å; W201-F221 HydrophobicContact CZ2-CD2 4.24Å; W201-F221 AromaticContact CZ2-CG 3.69Å; W201-F221 HydrophobicContact CZ2-CG 3.69Å; W201-F221 HydrophobicContact CZ3-CD1 4.03Å; W201-F221 HydrophobicContact CZ3-CE1 4.36Å; I216-F221 HydrophobicContact CD1-CB 4.42Å; I216-F221 HydrophobicContact CG2-CB 4.14Å; R217-F221 PolarHBondContact O-N 3.4Å; R218-F221 WeakPolarHBondContact O-CB 3.48Å; R218-F221 PolarHBondContact O-N 2.94Å; R218-F221 VanDerWaalsContact O-N 3.12Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.93Å; F221-I224 PolarHBondContact O-N 3.15Å; F221-F225 HydrophobicContact CE1-CB 4.33Å; F221-F225 HydrophobicContact CE1-CD1 4.47Å; F221-F225 HydrophobicContact CE1-CG 4.37Å; F221-F225 HydrophobicContact CZ-CB 4.32Å; F221-F225 HydrophobicContact CZ-CD1 4.48Å; F221-F225 HydrophobicContact CZ-CD2 4.29Å; F221-F225 HydrophobicContact CZ-CG 4.13Å; F221-F225 WeakPolarHBondContact O-CB 3.5Å; F221-F225 PolarHBondContact O-N 3.33Å; F221-I477 HydrophobicContact CZ-CG2 4.15Å
222	E	91.8	Very high	93.3	Very high	28 Å²	28	39.3 Å²	39.3	13%	0.131	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-44.8	178.8	-70	-68.7	160.9	0	0	111.5	R197 R218 F225 S226	R197-E222 IonicContact CZ-OE1 3.7Å; R197-E222 IonicContact CZ-OE2 3.73Å; R197-E222 IonicContact NE-OE1 2.77Å; R197-E222 PolarHBondContact NE-OE1 2.88Å; R197-E222 IonicContact NE-OE2 3.16Å; R197-E222 PolarHBondContact NE-OE2 2.78Å; R197-E222 IonicContact NH2-OE1 3Å; R197-E222 IonicContact NH2-OE2 3.9Å; R197-E222 PolarHBondContact NH2-OE2 3.34Å; R218-E222 HydrophobicContact CG-CG 4.45Å; R218-E222 WeakPolarHBondContact O-CG 3.06Å; R218-E222 PolarHBondContact O-N 2.97Å; E222-F225 PolarHBondContact O-N 2.95Å; E222-S226 WeakPolarHBondContact O-CB 3.05Å; E222-S226 PolarHBondContact O-N 2.86Å; E222-S226 PolarHBondContact O-OG 2.77Å
223	L	93.3	Very high	93.1	Very high	65 Å²	65	40.9 Å²	40.9	34%	0.34	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-53.5	175.9	-175.7	67	0	0	0	111.6	L172 D219 R220 F221 F225 S226 Y227	L172-L223 HydrophobicContact CD1-CD2 3.97Å; L172-L223 HydrophobicContact CD1-CG 3.74Å; D219-L223 VanDerWaalsContact O-CB 3.25Å; D219-L223 WeakPolarHBondContact O-CB 3.4Å; D219-L223 PolarHBondContact O-N 3.41Å; R220-L223 PolarHBondContact O-N 3.08Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 2.93Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.32Å; L223-S226 PolarHBondContact O-N 2.84Å; L223-S226 PolarHBondContact O-OG 3.21Å; L223-Y227 HydrophobicContact CD1-CD2 3.96Å; L223-Y227 HydrophobicContact CD1-CE2 3.67Å; L223-Y227 HydrophobicContact CG-CD2 4.48Å; L223-Y227 VanDerWaalsContact O-CD2 3.32Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.11Å
224	I	95.2	Very high	93	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-46	179.3	-66.1	164.3	0	0	0	110.8	L172 L174 E178 V182 I216 R220 F221 S226 Y227 L228	L172-I224 HydrophobicContact CD1-CG1 4.14Å; L174-I224 HydrophobicContact CD1-CB 4.48Å; L174-I224 HydrophobicContact CD1-CD1 3.72Å; L174-I224 HydrophobicContact CD1-CG1 3.93Å; L174-I224 HydrophobicContact CD1-CG2 3.71Å; L174-I224 HydrophobicContact CD2-CG2 4.1Å; E178-I224 HydrophobicContact CB-CD1 4.06Å; V182-I224 HydrophobicContact CG2-CB 4.32Å; V182-I224 HydrophobicContact CG2-CD1 4.43Å; V182-I224 HydrophobicContact CG2-CG2 3.84Å; I216-I224 HydrophobicContact CD1-CD1 3.94Å; R220-I224 HydrophobicContact CG-CD1 3.94Å; R220-I224 VanDerWaalsContact O-CG1 3.3Å; R220-I224 WeakPolarHBondContact O-CG1 3.4Å; R220-I224 PolarHBondContact O-N 2.93Å; F221-I224 PolarHBondContact O-N 3.15Å; I224-S226 VanDerWaalsContact C-N 3.34Å; I224-S226 PolarHBondContact O-N 3.14Å; I224-Y227 CarbonylContact O-C 3.53Å; I224-Y227 PolarHBondContact O-N 3.12Å; I224-Y227 VanDerWaalsContact O-N 3.16Å; I224-L228 PolarHBondContact O-N 3.23Å
225	F	92.6	Very high	93	Very high	14 Å²	14	49.9 Å²	49.9	6%	0.061	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-36.9	-175	-166.3	-116.4	0	0	0	112.3	V182 L186 F221 E222 L223 Y227 L228 I477 R478 G479	V182-F225 HydrophobicContact CG1-CD2 4.19Å; L186-F225 HydrophobicContact CD1-CE2 4.25Å; L186-F225 HydrophobicContact CD2-CE2 3.81Å; L186-F225 HydrophobicContact CD2-CZ 4.14Å; F221-F225 HydrophobicContact CE1-CB 4.33Å; F221-F225 HydrophobicContact CE1-CD1 4.47Å; F221-F225 HydrophobicContact CE1-CG 4.37Å; F221-F225 HydrophobicContact CZ-CB 4.32Å; F221-F225 HydrophobicContact CZ-CD1 4.48Å; F221-F225 HydrophobicContact CZ-CD2 4.29Å; F221-F225 HydrophobicContact CZ-CG 4.13Å; F221-F225 WeakPolarHBondContact O-CB 3.5Å; F221-F225 PolarHBondContact O-N 3.33Å; E222-F225 PolarHBondContact O-N 2.95Å; L223-F225 VanDerWaalsContact C-N 3.31Å; L223-F225 PolarHBondContact O-N 3.32Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.4Å; F225-L228 HydrophobicContact CD2-CD2 4.29Å; F225-L228 HydrophobicContact CE2-CD2 4.3Å; F225-L228 WeakPolarHBondContact O-CB 3.46Å; F225-L228 PolarHBondContact O-N 2.71Å; F225-I477 HydrophobicContact CE1-CG2 4.09Å; F225-I477 HydrophobicContact CZ-CG2 3.98Å; F225-R478 VanDerWaalsContact CE1-C 3.47Å; F225-G479 VanDerWaalsContact CE1-CA 3.44Å; F225-G479 VanDerWaalsContact CE1-N 3.29Å; F225-G479 VanDerWaalsContact CZ-N 3.31Å
226	S	90.5	Very high	92.9	Very high	41 Å²	41	51.2 Å²	51.2	29%	0.287	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-28.1	174.1	65.8	0	0	0	0	113.9	E222 L223 I224 K481	E222-S226 WeakPolarHBondContact O-CB 3.05Å; E222-S226 PolarHBondContact O-N 2.86Å; E222-S226 PolarHBondContact O-OG 2.77Å; L223-S226 PolarHBondContact O-N 2.84Å; L223-S226 PolarHBondContact O-OG 3.21Å; I224-S226 VanDerWaalsContact C-N 3.34Å; I224-S226 PolarHBondContact O-N 3.14Å; S226-K481 WeakPolarHBondContact O-CE 2.98Å; S226-K481 PolarHBondContact O-NZ 3.19Å
227	Y	93.7	Very high	92.6	Very high	47 Å²	47	55.9 Å²	55.9	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-96.4	-3	176.7	-73.8	-75.7	0	0	0	114.1	T161 Y164 A165 K168 V170 L172 L223 I224 F225 H229	T161-Y227 WeakPolarHBondContact CG2-O 3.27Å; Y164-Y227 AromaticContact CD1-CD1 3.76Å; Y164-Y227 HydrophobicContact CD1-CD1 3.76Å; Y164-Y227 VanDerWaalsContact CD1-O 3.26Å; Y164-Y227 WeakPolarHBondContact CD1-O 3.15Å; Y164-Y227 AromaticContact CE1-CD1 3.69Å; Y164-Y227 HydrophobicContact CE1-CD1 3.69Å; Y164-Y227 HydrophobicContact CE1-CE1 4.34Å; A165-Y227 HydrophobicContact CB-CD1 3.81Å; A165-Y227 HydrophobicContact CB-CE1 4.42Å; A165-Y227 HydrophobicContact CB-CG 3.97Å; K168-Y227 HydrophobicContact CB-CE1 3.84Å; K168-Y227 HydrophobicContact CG-CE1 4.17Å; V170-Y227 HydrophobicContact CB-CE1 4.42Å; V170-Y227 HydrophobicContact CB-CE2 4.46Å; V170-Y227 HydrophobicContact CG1-CE2 4.15Å; V170-Y227 HydrophobicContact CG2-CE1 4.44Å; V170-Y227 HydrophobicContact CG2-CE2 4.44Å; V170-Y227 VanDerWaalsContact CG2-OH 3.27Å; V170-Y227 WeakPolarHBondContact CG2-OH 3.49Å; L172-Y227 HydrophobicContact CD1-CD2 4.46Å; L223-Y227 HydrophobicContact CD1-CD2 3.96Å; L223-Y227 HydrophobicContact CD1-CE2 3.67Å; L223-Y227 HydrophobicContact CG-CD2 4.48Å; L223-Y227 VanDerWaalsContact O-CD2 3.32Å; L223-Y227 WeakPolarHBondContact O-CD2 3.27Å; L223-Y227 PolarHBondContact O-N 3.11Å; I224-Y227 CarbonylContact O-C 3.53Å; I224-Y227 PolarHBondContact O-N 3.12Å; I224-Y227 VanDerWaalsContact O-N 3.16Å; F225-Y227 VanDerWaalsContact C-N 3.31Å; F225-Y227 PolarHBondContact O-N 3.4Å; Y227-H229 PolarHBondContact O-N 2.95Å
228	L	94.2	Very high	92.1	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	26%	0.255	C	S	.	.			trans	-53	126.3	-179.8	-171.6	67.9	0	0	0	111.1	I157 L179 I224 F225 F230 I487	I157-L228 HydrophobicContact CG2-CD1 3.85Å; L179-L228 HydrophobicContact CD1-CD1 4.12Å; I224-L228 PolarHBondContact O-N 3.23Å; F225-L228 HydrophobicContact CD2-CD2 4.29Å; F225-L228 HydrophobicContact CE2-CD2 4.3Å; F225-L228 WeakPolarHBondContact O-CB 3.46Å; F225-L228 PolarHBondContact O-N 2.71Å; L228-F230 HydrophobicContact CD1-CE1 4.28Å; L228-F230 HydrophobicContact CD1-CZ 4.26Å; L228-F230 HydrophobicContact CD2-CZ 3.8Å; L228-F230 HydrophobicContact CG-CE1 4.21Å; L228-F230 HydrophobicContact CG-CE2 4.36Å; L228-F230 HydrophobicContact CG-CZ 3.7Å; L228-I487 HydrophobicContact CD2-CG2 4.38Å
229	H	94.5	Very high	91.6	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.265	C	S	.	.			trans	-152	160.6	-171.8	-153	68	0	0	0	112.3	D56 T161 Y164 Y227 A231 N233 Y483	D56-H229 IonicContact OD1-CE1 3.67Å; T161-H229 PolarHBondContact OG1-N 2.73Å; T161-H229 VanDerWaalsContact OG1-N 3.14Å; T161-H229 PolarHBondContact OG1-O 3.38Å; Y164-H229 HydrophobicContact CD1-CB 4.13Å; Y164-H229 HydrophobicContact CD2-CB 4.46Å; Y164-H229 AromaticContact CD2-CD2 3.83Å; Y164-H229 AromaticContact CD2-CE1 3.77Å; Y164-H229 AromaticContact CD2-CG 3.83Å; Y164-H229 AromaticContact CD2-ND1 3.8Å; Y164-H229 AromaticContact CD2-NE2 3.84Å; Y164-H229 HydrophobicContact CG-CB 3.78Å; Y164-H229 AromaticContact CG-CD2 3.91Å; Y164-H229 AromaticContact CG-CG 3.64Å; Y164-H229 AromaticContact CG-ND1 3.95Å; Y227-H229 PolarHBondContact O-N 2.95Å; H229-A231 PolarHBondContact CD2-O 2.9Å; H229-A231 PolarHBondContact NE2-O 3.09Å; H229-A231 VanDerWaalsContact NE2-O 3.16Å; H229-N233 PolarHBondContact CE1-OD1 3.33Å; H229-N233 PolarHBondContact NE2-OD1 3.33Å; H229-Y483 PolarHBondContact CE1-OH 3.11Å; H229-Y483 AromaticContact ND1-CZ 3.59Å; H229-Y483 PolarHBondContact ND1-OH 3.02Å
230	F	95.8	Very high	91.3	Very high	1 Å²	1	42.7 Å²	42.7	0%	0.004	24%	0.242	C	C	.	.			trans	-141.8	15.1	-167.5	-47	-75.3	0	0	0	115.2	F156 I157 L228 K244 V245 L248 Y483 I487	F156-F230 WeakPolarHBondContact CZ-O 3.44Å; I157-F230 HydrophobicContact CD1-CE1 4.45Å; I157-F230 HydrophobicContact CG1-CD1 4.11Å; I157-F230 HydrophobicContact CG1-CE1 4.24Å; I157-F230 HydrophobicContact CG2-CD1 4.2Å; I157-F230 HydrophobicContact CG2-CE1 3.9Å; L228-F230 HydrophobicContact CD1-CE1 4.28Å; L228-F230 HydrophobicContact CD1-CZ 4.26Å; L228-F230 HydrophobicContact CD2-CZ 3.8Å; L228-F230 HydrophobicContact CG-CE1 4.21Å; L228-F230 HydrophobicContact CG-CE2 4.36Å; L228-F230 HydrophobicContact CG-CZ 3.7Å; F230-K244 CarbonylContact C-O 3.52Å; F230-K244 WeakPolarHBondContact CB-O 3.45Å; F230-V245 HydrophobicContact CD2-CG1 4.09Å; F230-L248 HydrophobicContact CB-CB 4.17Å; F230-L248 HydrophobicContact CD1-CD2 3.8Å; F230-L248 HydrophobicContact CE1-CD2 4.04Å; F230-L248 HydrophobicContact CG-CD2 4.1Å; F230-Y483 HydrophobicContact CD2-CD2 4.06Å; F230-Y483 HydrophobicContact CD2-CE2 4.43Å; F230-Y483 AromaticContact CE2-CD2 3.96Å; F230-Y483 HydrophobicContact CE2-CD2 3.96Å; F230-Y483 HydrophobicContact CE2-CE2 4.39Å; F230-I487 HydrophobicContact CE1-CD1 3.95Å; F230-I487 HydrophobicContact CE1-CG1 4.25Å; F230-I487 HydrophobicContact CE2-CB 4.14Å; F230-I487 HydrophobicContact CE2-CG2 4.42Å; F230-I487 HydrophobicContact CZ-CB 3.66Å; F230-I487 HydrophobicContact CZ-CD1 3.95Å; F230-I487 HydrophobicContact CZ-CG1 3.76Å; F230-I487 HydrophobicContact CZ-CG2 4.1Å
231	A	95.1	Very high	90.9	Very high	3 Å²	3	40.3 Å²	40.3	3%	0.025	23%	0.233	C	C	.	.	S	Bend	trans	-158.5	162.5	177.3	0	0	0	0	0	110.4	H229 L236 P247	H229-A231 PolarHBondContact CD2-O 2.9Å; H229-A231 PolarHBondContact NE2-O 3.09Å; H229-A231 VanDerWaalsContact NE2-O 3.16Å; A231-L236 HydrophobicContact CB-CD2 3.71Å; A231-P247 HydrophobicContact CB-CG 3.92Å
232	D	93.3	Very high	90.6	Very high	17 Å²	17	40.3 Å²	40.3	9%	0.091	23%	0.233	C	C	.	.			trans	-82.7	117.1	166	-169	-16.9	0	0	0	109.4	E160 R163 Q167 N234 E235	E160-D232 PolarHBondContact OE2-N 3.25Å; R163-D232 VanDerWaalsContact CD-CG 3.42Å; R163-D232 WeakPolarHBondContact CD-OD2 3.36Å; R163-D232 IonicContact CZ-OD2 2.83Å; R163-D232 IonicContact NE-OD2 3.92Å; R163-D232 IonicContact NH1-OD2 2.84Å; R163-D232 PolarHBondContact NH1-OD2 2.97Å; Q167-D232 PolarHBondContact NE2-OD1 2.74Å; D232-N234 PolarHBondContact O-N 3.44Å; D232-N234 VanDerWaalsContact O-N 3.1Å; D232-N234 WeakPolarHBondContact OD1-CB 3.49Å; D232-N234 PolarHBondContact OD1-N 3.15Å; D232-N234 PolarHBondContact OD1-ND2 3.27Å; D232-E235 HydrophobicContact CB-CB 4.33Å; D232-E235 HydrophobicContact CB-CG 4.35Å; D232-E235 PolarHBondContact O-N 3.21Å
233	N	89.4	Confident	90.6	Very high	34 Å²	34	39.2 Å²	39.2	18%	0.182	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-56.7	-23.2	176.2	-86.7	-16.5	0	0	0	113.6	D56 H229 E235	D56-N233 PolarHBondContact OD2-ND2 3.34Å; H229-N233 PolarHBondContact CE1-OD1 3.33Å; H229-N233 PolarHBondContact NE2-OD1 3.33Å; N233-E235 VanDerWaalsContact C-N 3.35Å
234	N	89.1	Confident	90.5	Very high	131 Å²	131	36.2 Å²	36.2	70%	0.701	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-79.5	-15.7	177.7	-61.8	-42.8	0	0	0	113.6	Q167 D232	Q167-N234 PolarHBondContact NE2-ND2 2.68Å; D232-N234 PolarHBondContact O-N 3.44Å; D232-N234 VanDerWaalsContact O-N 3.1Å; D232-N234 WeakPolarHBondContact OD1-CB 3.49Å; D232-N234 PolarHBondContact OD1-N 3.15Å; D232-N234 PolarHBondContact OD1-ND2 3.27Å
235	E	89.9	Confident	90.4	Very high	161 Å²	161	36.2 Å²	36.2	75%	0.752	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-118.2	17.8	-173.7	-59.7	-173.2	175.4	0	0	112.6	D232 N233 D237	D232-E235 HydrophobicContact CB-CB 4.33Å; D232-E235 HydrophobicContact CB-CG 4.35Å; D232-E235 PolarHBondContact O-N 3.21Å; N233-E235 VanDerWaalsContact C-N 3.35Å; E235-D237 PolarHBondContact O-N 2.88Å
236	L	90.2	Very high	90.5	Very high	29 Å²	29	37.4 Å²	37.4	15%	0.152	22%	0.217	C	C	.	.			trans	-70.1	131.3	-178.1	-61.7	177.6	0	0	0	112	A51 A231 A238 A243 K244	A51-L236 HydrophobicContact CB-CB 4.38Å; A51-L236 HydrophobicContact CB-CD1 4.22Å; A231-L236 HydrophobicContact CB-CD2 3.71Å; L236-A238 PolarHBondContact O-N 3.43Å; L236-A243 HydrophobicContact CB-CB 4.12Å; L236-A243 HydrophobicContact CD2-CB 3.93Å; L236-K244 HydrophobicContact CD1-CG 4.07Å; L236-K244 HydrophobicContact CD2-CG 4.38Å
237	D	87.3	Confident	90.8	Very high	106 Å²	106	37.6 Å²	37.6	57%	0.567	22%	0.217	S	C	*	.			trans	-72.6	111	169.5	-179	7.9	0	0	0	110.3	E235 G239 D240	E235-D237 PolarHBondContact O-N 2.88Å; D237-G239 PolarHBondContact O-N 3.11Å; D237-G239 VanDerWaalsContact O-N 3.14Å; D237-G239 WeakPolarHBondContact OD1-CA 3.37Å; D237-G239 PolarHBondContact OD1-N 3.1Å; D237-D240 HydrophobicContact CB-CB 4.24Å; D237-D240 PolarHBondContact O-N 2.89Å
238	A	83.1	Confident	91	Very high	75 Å²	75	35.4 Å²	35.4	62%	0.62	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	176.5	0	0	0	0	0	113.3	L236	L236-A238 PolarHBondContact O-N 3.43Å
239	G	82.9	Confident	91.1	Very high	60 Å²	60	34.8 Å²	34.8	62%	0.619	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-14.7	174.4	0	0	0	0	0	114.6	D237	D237-G239 PolarHBondContact O-N 3.11Å; D237-G239 VanDerWaalsContact O-N 3.14Å; D237-G239 WeakPolarHBondContact OD1-CA 3.37Å; D237-G239 PolarHBondContact OD1-N 3.1Å
240	D	86.4	Confident	91.2	Very high	13 Å²	13	39.4 Å²	39.4	7%	0.07	23%	0.229	C	C	.	.			trans	-109.3	111.8	-179.3	-178.6	14.5	0	0	0	111.5	D237 F242 A243 R246 Q313	D237-D240 HydrophobicContact CB-CB 4.24Å; D237-D240 PolarHBondContact O-N 2.89Å; D240-F242 PolarHBondContact O-N 3.18Å; D240-F242 VanDerWaalsContact O-N 3.17Å; D240-F242 PolarHBondContact OD1-N 3.3Å; D240-A243 HydrophobicContact CB-CB 4.29Å; D240-A243 WeakPolarHBondContact O-CB 3.38Å; D240-A243 PolarHBondContact O-N 3.14Å; D240-R246 IonicContact OD1-CZ 3.18Å; D240-R246 IonicContact OD1-NE 3.81Å; D240-R246 IonicContact OD1-NH2 2.7Å; D240-R246 PolarHBondContact OD1-NH2 3.42Å; D240-R246 VanDerWaalsContact OD1-NH2 3.13Å; D240-R246 WeakPolarHBondContact OD2-CB 3.48Å; D240-R246 WeakPolarHBondContact OD2-CG 3.5Å; D240-R246 IonicContact OD2-CZ 2.75Å; D240-R246 IonicContact OD2-NE 2.68Å; D240-R246 PolarHBondContact OD2-NE 3.47Å; D240-R246 IonicContact OD2-NH2 3.11Å; D240-R246 PolarHBondContact OD2-NH2 2.98Å; D240-Q313 PolarHBondContact OD1-NE2 3.44Å; D240-Q313 PolarHBondContact OD1-OE1 3.37Å
241	R	85.2	Confident	91.2	Very high	9 Å²	9	43.9 Å²	43.9	3%	0.034	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.7	-179.3	-53.4	171.6	63.1	165.6	15.3	113.1	A45 P46 D48 Q313 F317	A45-R241 VanDerWaalsContact CB-NH2 3.27Å; P46-R241 HydrophobicContact CG-CB 3.62Å; P46-R241 WeakPolarHBondContact CG-O 2.82Å; P46-R241 PolarHBondContact O-NE 3.02Å; P46-R241 PolarHBondContact O-NH2 2.78Å; D48-R241 IonicContact OD1-CZ 3.57Å; D48-R241 VanDerWaalsContact OD1-CZ 3.28Å; D48-R241 IonicContact OD1-NE 3.79Å; D48-R241 IonicContact OD1-NH1 2.85Å; D48-R241 IonicContact OD1-NH2 2.72Å; D48-R241 PolarHBondContact OD1-NH2 2.9Å; R241-Q313 VanDerWaalsContact N-OE1 3.13Å; R241-Q313 PolarHBondContact NH1-O 2.84Å; R241-F317 VanDerWaalsContact NH1-CD2 3.26Å
242	F	89.1	Confident	91.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	14.5	172.6	-75.1	-86.6	0	0	0	112.9	P46 D240 K244 V245 R246 I249 Y294 P311 Q313 W482	P46-F242 HydrophobicContact CB-CE1 4.27Å; P46-F242 HydrophobicContact CB-CE2 4.49Å; P46-F242 HydrophobicContact CB-CZ 4.21Å; P46-F242 VanDerWaalsContact CD-CE2 3.4Å; P46-F242 HydrophobicContact CG-CD1 4.18Å; P46-F242 HydrophobicContact CG-CD2 3.67Å; P46-F242 HydrophobicContact CG-CE1 3.9Å; P46-F242 HydrophobicContact CG-CE2 3.34Å; P46-F242 HydrophobicContact CG-CG 4.07Å; P46-F242 HydrophobicContact CG-CZ 3.46Å; P46-F242 VanDerWaalsContact CG-CZ 3.46Å; D240-F242 PolarHBondContact O-N 3.18Å; D240-F242 VanDerWaalsContact O-N 3.17Å; D240-F242 PolarHBondContact OD1-N 3.3Å; F242-K244 PolarHBondContact O-N 2.68Å; F242-V245 HydrophobicContact CB-CG2 3.99Å; F242-V245 HydrophobicContact CD1-CG2 3.78Å; F242-V245 HydrophobicContact CG-CG2 4.38Å; F242-V245 CarbonylContact O-C 3.37Å; F242-V245 VanDerWaalsContact O-CG2 3.3Å; F242-V245 WeakPolarHBondContact O-CG2 3.46Å; F242-V245 PolarHBondContact O-N 3.14Å; F242-R246 PolarHBondContact O-N 3.08Å; F242-I249 HydrophobicContact CB-CD1 4.4Å; F242-Y294 HydrophobicContact CE1-CD1 4.43Å; F242-Y294 HydrophobicContact CE1-CG 4.49Å; F242-Y294 HydrophobicContact CZ-CD1 4.14Å; F242-Y294 HydrophobicContact CZ-CG 4.41Å; F242-P311 HydrophobicContact CB-CG 4.32Å; F242-P311 HydrophobicContact CD1-CB 4.09Å; F242-P311 HydrophobicContact CD1-CG 3.8Å; F242-P311 HydrophobicContact CD2-CB 3.98Å; F242-P311 HydrophobicContact CD2-CG 3.69Å; F242-P311 HydrophobicContact CE1-CB 3.71Å; F242-P311 HydrophobicContact CE1-CG 3.98Å; F242-P311 HydrophobicContact CE2-CB 3.59Å; F242-P311 HydrophobicContact CE2-CG 3.86Å; F242-P311 HydrophobicContact CG-CB 4.22Å; F242-P311 HydrophobicContact CG-CG 3.67Å; F242-P311 HydrophobicContact CZ-CB 3.46Å; F242-P311 VanDerWaalsContact CZ-CB 3.46Å; F242-P311 HydrophobicContact CZ-CG 4.02Å; F242-Q313 HydrophobicContact CD2-CG 4.01Å; F242-Q313 HydrophobicContact CE2-CG 4.38Å; F242-W482 AromaticContact CD1-CH2 3.88Å; F242-W482 HydrophobicContact CD1-CH2 3.88Å; F242-W482 AromaticContact CD1-CZ3 3.79Å; F242-W482 HydrophobicContact CD1-CZ3 3.79Å; F242-W482 HydrophobicContact CE1-CH2 4.41Å; F242-W482 AromaticContact CE1-CZ3 3.89Å; F242-W482 HydrophobicContact CE1-CZ3 3.89Å
243	A	91.1	Very high	91.5	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.1	-174.5	0	0	0	0	0	114	A50 L236 D240 V245 R246 P247	A50-A243 HydrophobicContact CB-CB 4.09Å; L236-A243 HydrophobicContact CB-CB 4.12Å; L236-A243 HydrophobicContact CD2-CB 3.93Å; D240-A243 HydrophobicContact CB-CB 4.29Å; D240-A243 WeakPolarHBondContact O-CB 3.38Å; D240-A243 PolarHBondContact O-N 3.14Å; A243-V245 PolarHBondContact O-N 3.38Å; A243-R246 PolarHBondContact O-N 2.87Å; A243-P247 WeakPolarHBondContact O-CD 3.46Å
244	K	91.8	Very high	91.8	Very high	1 Å²	1	45 Å²	45	0%	0.004	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.6	178.6	-66.9	-158.8	175.5	-165.5	0	115.5	A50 T55 D56 F230 L236 F242 W482 Y483	A50-K244 WeakPolarHBondContact O-CE 3.18Å; T55-K244 WeakPolarHBondContact OG1-CE 3.09Å; T55-K244 PolarHBondContact OG1-NZ 2.99Å; D56-K244 IonicContact OD1-NZ 2.7Å; D56-K244 PolarHBondContact OD1-NZ 2.9Å; D56-K244 IonicContact OD2-NZ 3.26Å; D56-K244 PolarHBondContact OD2-NZ 3.02Å; F230-K244 CarbonylContact C-O 3.52Å; F230-K244 WeakPolarHBondContact CB-O 3.45Å; L236-K244 HydrophobicContact CD1-CG 4.07Å; L236-K244 HydrophobicContact CD2-CG 4.38Å; F242-K244 PolarHBondContact O-N 2.68Å; K244-W482 HydrophobicContact CB-CZ2 4.08Å; K244-Y483 HydrophobicContact CB-CD1 4.22Å; K244-Y483 HydrophobicContact CB-CE1 4.48Å; K244-Y483 HydrophobicContact CD-CD1 3.96Å; K244-Y483 HydrophobicContact CD-CE1 3.59Å
245	V	93.8	Very high	92.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-5.2	176.3	-65.6	0	0	0	0	112.5	F230 F242 A243 L248 I249 W482 Y483 F486	F230-V245 HydrophobicContact CD2-CG1 4.09Å; F242-V245 HydrophobicContact CB-CG2 3.99Å; F242-V245 HydrophobicContact CD1-CG2 3.78Å; F242-V245 HydrophobicContact CG-CG2 4.38Å; F242-V245 CarbonylContact O-C 3.37Å; F242-V245 VanDerWaalsContact O-CG2 3.3Å; F242-V245 WeakPolarHBondContact O-CG2 3.46Å; F242-V245 PolarHBondContact O-N 3.14Å; A243-V245 PolarHBondContact O-N 3.38Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 3.14Å; V245-I249 HydrophobicContact CG2-CD1 3.86Å; V245-I249 HydrophobicContact CG2-CG1 4.47Å; V245-I249 WeakPolarHBondContact O-CG1 3.27Å; V245-I249 PolarHBondContact O-N 3.39Å; V245-W482 HydrophobicContact CG2-CH2 4.2Å; V245-Y483 VanDerWaalsContact CG1-CB 3.49Å; V245-Y483 HydrophobicContact CG1-CG 4.32Å; V245-F486 HydrophobicContact CB-CD1 3.91Å; V245-F486 HydrophobicContact CB-CE1 4.13Å; V245-F486 HydrophobicContact CG1-CB 4.48Å; V245-F486 HydrophobicContact CG1-CD1 4.06Å; V245-F486 HydrophobicContact CG1-CG 4.48Å; V245-F486 HydrophobicContact CG2-CD1 4Å; V245-F486 HydrophobicContact CG2-CE1 4.07Å; V245-F486 HydrophobicContact CG2-CG 4.34Å; V245-F486 HydrophobicContact CG2-CZ 4.45Å
246	R	95	Very high	92.6	Very high	40 Å²	40	31.8 Å²	31.8	15%	0.151	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-45.1	-177.5	178.8	59.6	60.6	-172.7	3.3	113	D240 F242 A243 L248 I249 I250 E310	D240-R246 IonicContact OD1-CZ 3.18Å; D240-R246 IonicContact OD1-NE 3.81Å; D240-R246 IonicContact OD1-NH2 2.7Å; D240-R246 PolarHBondContact OD1-NH2 3.42Å; D240-R246 VanDerWaalsContact OD1-NH2 3.13Å; D240-R246 WeakPolarHBondContact OD2-CB 3.48Å; D240-R246 WeakPolarHBondContact OD2-CG 3.5Å; D240-R246 IonicContact OD2-CZ 2.75Å; D240-R246 IonicContact OD2-NE 2.68Å; D240-R246 PolarHBondContact OD2-NE 3.47Å; D240-R246 IonicContact OD2-NH2 3.11Å; D240-R246 PolarHBondContact OD2-NH2 2.98Å; F242-R246 PolarHBondContact O-N 3.08Å; A243-R246 PolarHBondContact O-N 2.87Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 2.9Å; R246-I249 WeakPolarHBondContact O-CB 3.23Å; R246-I249 PolarHBondContact O-N 3.24Å; R246-I250 HydrophobicContact CG-CD1 3.96Å; R246-I250 WeakPolarHBondContact O-CG1 3.37Å; R246-I250 PolarHBondContact O-N 2.67Å; R246-E310 IonicContact CZ-OE1 2.83Å; R246-E310 VanDerWaalsContact CZ-OE1 3.26Å; R246-E310 IonicContact CZ-OE2 3.2Å; R246-E310 IonicContact NH1-OE1 3.4Å; R246-E310 PolarHBondContact NH1-OE1 3.3Å; R246-E310 IonicContact NH1-OE2 3.28Å; R246-E310 PolarHBondContact NH1-OE2 3.45Å; R246-E310 IonicContact NH2-OE1 3.75Å; R246-E310 PolarHBondContact NH2-OE1 3.03Å
247	P	96.6	Very high	92.8	Very high	45 Å²	45	31.1 Å²	31.1	29%	0.292	19%	0.186	S	C	.	.	H	α-helix	trans	-61	-39.1	177.2	-25.7	36.9	0	0	0	112.8	F156 A231 A243 R251	F156-P247 HydrophobicContact CE1-CB 4.39Å; F156-P247 HydrophobicContact CE2-CB 4.19Å; F156-P247 HydrophobicContact CZ-CB 3.58Å; A231-P247 HydrophobicContact CB-CG 3.92Å; A243-P247 WeakPolarHBondContact O-CD 3.46Å; P247-R251 PolarHBondContact O-N 3.16Å
248	L	96.9	Very high	93.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-65	-44.9	174.4	-178.7	66.2	0	0	0	111.2	T153 F156 I157 F230 V245 R246 I250 R251 M252 I487	T153-L248 HydrophobicContact CG2-CD1 4.4Å; F156-L248 HydrophobicContact CE1-CB 4.45Å; I157-L248 HydrophobicContact CD1-CD1 4.29Å; I157-L248 HydrophobicContact CG1-CD1 4.42Å; F230-L248 HydrophobicContact CB-CB 4.17Å; F230-L248 HydrophobicContact CD1-CD2 3.8Å; F230-L248 HydrophobicContact CE1-CD2 4.04Å; F230-L248 HydrophobicContact CG-CD2 4.1Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 3.14Å; R246-L248 VanDerWaalsContact C-N 3.3Å; R246-L248 PolarHBondContact O-N 2.9Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 3Å; L248-R251 PolarHBondContact O-N 3.29Å; L248-M252 HydrophobicContact CD1-CG 3.92Å; L248-M252 HydrophobicContact CD1-SD 4.23Å; L248-M252 HydrophobicContact CG-CG 4.1Å; L248-M252 WeakPolarHBondContact O-CB 3.41Å; L248-M252 WeakPolarHBondContact O-CG 3.5Å; L248-M252 PolarHBondContact O-N 2.91Å; L248-I487 HydrophobicContact CD2-CD1 4.01Å
249	I	96.3	Very high	93.7	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-55.4	-49.1	177.9	-67.1	169.1	0	0	0	111.1	F242 V245 R246 R251 M252 N253 F309 P311 F486	F242-I249 HydrophobicContact CB-CD1 4.4Å; V245-I249 HydrophobicContact CG2-CD1 3.86Å; V245-I249 HydrophobicContact CG2-CG1 4.47Å; V245-I249 WeakPolarHBondContact O-CG1 3.27Å; V245-I249 PolarHBondContact O-N 3.39Å; R246-I249 WeakPolarHBondContact O-CB 3.23Å; R246-I249 PolarHBondContact O-N 3.24Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3.23Å; I249-M252 PolarHBondContact O-N 3.49Å; I249-N253 WeakPolarHBondContact O-CB 3.15Å; I249-N253 PolarHBondContact O-N 3.37Å; I249-F309 HydrophobicContact CG1-CE2 4.33Å; I249-F309 HydrophobicContact CG2-CE2 4.33Å; I249-F309 HydrophobicContact CG2-CZ 4.36Å; I249-P311 HydrophobicContact CD1-CG 3.71Å; I249-F486 HydrophobicContact CD1-CE1 3.8Å; I249-F486 HydrophobicContact CD1-CE2 4.38Å; I249-F486 HydrophobicContact CD1-CZ 3.45Å; I249-F486 VanDerWaalsContact CD1-CZ 3.45Å; I249-F486 HydrophobicContact CG1-CE1 3.37Å; I249-F486 HydrophobicContact CG1-CZ 3.39Å
250	I	96.2	Very high	94.3	Very high	96 Å²	96	26.2 Å²	26.2	49%	0.492	13%	0.129	S	C	.	.	H	α-helix	trans	-58.6	-49.6	-179.4	-67.9	166.4	0	0	0	109.8	R246 L248 M252 N253 C254	R246-I250 HydrophobicContact CG-CD1 3.96Å; R246-I250 WeakPolarHBondContact O-CG1 3.37Å; R246-I250 PolarHBondContact O-N 2.67Å; L248-I250 VanDerWaalsContact C-N 3.33Å; L248-I250 PolarHBondContact O-N 3Å; I250-M252 PolarHBondContact O-N 2.63Å; I250-N253 PolarHBondContact O-N 2.85Å; I250-C254 PolarHBondContact O-N 3Å; I250-C254 PolarHBondContact O-SG 3.28Å
251	R	97.1	Very high	94.6	Very high	96 Å²	96	25.9 Å²	25.9	36%	0.362	13%	0.128	S	C	.	.	H	α-helix	trans	-62.2	-43.5	-179.6	-170.2	170.2	-65.5	-84.2	-1.8	112.5	T153 P247 L248 I249 C254 N255	T153-R251 VanDerWaalsContact OG1-CD 3.25Å; T153-R251 WeakPolarHBondContact OG1-CD 3.37Å; P247-R251 PolarHBondContact O-N 3.16Å; L248-R251 PolarHBondContact O-N 3.29Å; I249-R251 VanDerWaalsContact C-N 3.34Å; I249-R251 PolarHBondContact O-N 3.23Å; R251-C254 WeakPolarHBondContact O-CB 3.36Å; R251-C254 PolarHBondContact O-N 3.41Å; R251-N255 PolarHBondContact O-N 3.21Å
252	M	97.8	Very high	94.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-39.2	178.8	-65	-55.8	-54.3	0	0	112.1	F148 F149 T153 L248 I249 I250 N255 F256 F309 V490 A494	F148-M252 HydrophobicContact CB-CE 4.1Å; F149-M252 HydrophobicContact CD2-CE 4.46Å; F149-M252 HydrophobicContact CE2-CE 4.07Å; F149-M252 HydrophobicContact CZ-CE 4.47Å; T153-M252 HydrophobicContact CG2-SD 4.13Å; L248-M252 HydrophobicContact CD1-CG 3.92Å; L248-M252 HydrophobicContact CD1-SD 4.23Å; L248-M252 HydrophobicContact CG-CG 4.1Å; L248-M252 WeakPolarHBondContact O-CB 3.41Å; L248-M252 WeakPolarHBondContact O-CG 3.5Å; L248-M252 PolarHBondContact O-N 2.91Å; I249-M252 PolarHBondContact O-N 3.49Å; I250-M252 PolarHBondContact O-N 2.63Å; M252-N255 PolarHBondContact O-N 2.75Å; M252-F256 HydrophobicContact CB-CE2 4.36Å; M252-F256 HydrophobicContact CB-CZ 4.45Å; M252-F256 HydrophobicContact CE-CD1 4.31Å; M252-F256 HydrophobicContact CE-CE1 3.43Å; M252-F256 VanDerWaalsContact CE-CE1 3.43Å; M252-F256 HydrophobicContact CE-CE2 4.47Å; M252-F256 HydrophobicContact CE-CZ 3.52Å; M252-F256 VanDerWaalsContact O-CB 3.25Å; M252-F256 WeakPolarHBondContact O-CB 3.49Å; M252-F256 WeakPolarHBondContact O-CD1 3.49Å; M252-F256 WeakPolarHBondContact O-CG 3.27Å; M252-F256 PolarHBondContact O-N 2.78Å; M252-F309 HydrophobicContact CB-CE1 4.15Å; M252-F309 HydrophobicContact CB-CZ 4.26Å; M252-V490 HydrophobicContact CB-CG1 4.46Å; M252-V490 HydrophobicContact CE-CG1 3.71Å; M252-V490 HydrophobicContact CG-CG1 3.57Å; M252-V490 HydrophobicContact SD-CG1 3.88Å; M252-A494 HydrophobicContact CE-CB 4.24Å
253	N	97.2	Very high	94.8	Very high	12 Å²	12	29 Å²	29	6%	0.064	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-45.4	172.6	-84.6	-30	0	0	0	111.2	I249 I250 N255 F256 Q257 W308 F309	I249-N253 WeakPolarHBondContact O-CB 3.15Å; I249-N253 PolarHBondContact O-N 3.37Å; I250-N253 PolarHBondContact O-N 2.85Å; N253-N255 VanDerWaalsContact C-N 3.35Å; N253-N255 PolarHBondContact O-N 2.85Å; N253-F256 PolarHBondContact O-N 2.7Å; N253-Q257 WeakPolarHBondContact O-CB 3.39Å; N253-Q257 VanDerWaalsContact O-CG 3.25Å; N253-Q257 WeakPolarHBondContact O-CG 3.44Å; N253-Q257 PolarHBondContact O-N 3Å; N253-Q257 PolarHBondContact O-OE1 3.47Å; N253-Q257 VanDerWaalsContact O-OE1 3.1Å; N253-W308 WeakPolarHBondContact OD1-CA 3.48Å; N253-F309 PolarHBondContact ND2-O 2.93Å; N253-F309 WeakPolarHBondContact OD1-CD1 3.48Å; N253-F309 WeakPolarHBondContact OD1-CE1 3.44Å; N253-F309 PolarHBondContact OD1-N 2.93Å; N253-F309 PolarHBondContact OD1-O 3.34Å
254	C	95.9	Very high	94.8	Very high	66 Å²	66	31.7 Å²	31.7	45%	0.446	16%	0.155	S	C	.	.	H	α-helix	trans	-56.4	-48.1	175.2	-66	0	0	0	0	111.8	I250 R251 K258	I250-C254 PolarHBondContact O-N 3Å; I250-C254 PolarHBondContact O-SG 3.28Å; R251-C254 WeakPolarHBondContact O-CB 3.36Å; R251-C254 PolarHBondContact O-N 3.41Å; C254-K258 WeakPolarHBondContact O-CB 3.5Å; C254-K258 PolarHBondContact O-N 3.24Å
255	N	96.9	Very high	94.9	Very high	13 Å²	13	33.6 Å²	33.6	7%	0.07	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-41.6	179.8	-69.8	-6.3	0	0	0	111.9	F148 T153 R251 M252 N253 K258 H259	F148-N255 HydrophobicContact CD1-CB 4.31Å; F148-N255 PolarHBondContact O-ND2 3.45Å; T153-N255 PolarHBondContact OG1-ND2 2.58Å; R251-N255 PolarHBondContact O-N 3.21Å; M252-N255 PolarHBondContact O-N 2.75Å; N253-N255 VanDerWaalsContact C-N 3.35Å; N253-N255 PolarHBondContact O-N 2.85Å; N255-K258 PolarHBondContact O-N 3.45Å; N255-H259 PolarHBondContact O-CD2 3.5Å; N255-H259 VanDerWaalsContact O-CD2 3.28Å; N255-H259 PolarHBondContact O-N 2.94Å; N255-H259 VanDerWaalsContact O-N 3.15Å
256	F	97.6	Very high	95.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-43.5	177.3	-70.7	-7.9	0	0	0	112.1	F148 M252 N253 A260 Y305 L306 F309 A493 A494 N497	F148-F256 HydrophobicContact CB-CE1 4.16Å; F148-F256 AromaticContact CD1-CD1 3.41Å; F148-F256 HydrophobicContact CD1-CD1 3.41Å; F148-F256 VanDerWaalsContact CD1-CD1 3.41Å; F148-F256 AromaticContact CD1-CE1 3.7Å; F148-F256 HydrophobicContact CD1-CE1 3.7Å; F148-F256 AromaticContact CE1-CD1 3.77Å; F148-F256 HydrophobicContact CE1-CD1 3.77Å; F148-F256 HydrophobicContact CE1-CE1 4.32Å; F148-F256 HydrophobicContact CG-CD1 4.18Å; F148-F256 AromaticContact CG-CE1 3.99Å; F148-F256 HydrophobicContact CG-CE1 3.99Å; M252-F256 HydrophobicContact CB-CE2 4.36Å; M252-F256 HydrophobicContact CB-CZ 4.45Å; M252-F256 HydrophobicContact CE-CD1 4.31Å; M252-F256 HydrophobicContact CE-CE1 3.43Å; M252-F256 VanDerWaalsContact CE-CE1 3.43Å; M252-F256 HydrophobicContact CE-CE2 4.47Å; M252-F256 HydrophobicContact CE-CZ 3.52Å; M252-F256 VanDerWaalsContact O-CB 3.25Å; M252-F256 WeakPolarHBondContact O-CB 3.49Å; M252-F256 WeakPolarHBondContact O-CD1 3.49Å; M252-F256 WeakPolarHBondContact O-CG 3.27Å; M252-F256 PolarHBondContact O-N 2.78Å; N253-F256 PolarHBondContact O-N 2.7Å; F256-A260 VanDerWaalsContact O-CB 3.31Å; F256-A260 WeakPolarHBondContact O-CB 3.4Å; F256-A260 PolarHBondContact O-N 3.43Å; F256-A260 VanDerWaalsContact O-N 3.14Å; F256-Y305 WeakPolarHBondContact O-CE1 3.31Å; F256-Y305 PolarHBondContact O-OH 3.28Å; F256-L306 HydrophobicContact CD2-CD2 3.97Å; F256-L306 HydrophobicContact CD2-CG 4.11Å; F256-L306 HydrophobicContact CE2-CD2 3.72Å; F256-L306 HydrophobicContact CE2-CG 4.34Å; F256-F309 HydrophobicContact CD2-CD1 4.04Å; F256-F309 AromaticContact CD2-CE1 3.82Å; F256-F309 HydrophobicContact CD2-CE1 3.82Å; F256-F309 HydrophobicContact CE2-CD1 4.07Å; F256-F309 AromaticContact CE2-CE1 3.62Å; F256-F309 HydrophobicContact CE2-CE1 3.62Å; F256-A493 HydrophobicContact CE2-CB 4.27Å; F256-A493 HydrophobicContact CZ-CB 4.16Å; F256-A494 HydrophobicContact CE1-CB 3.98Å; F256-A494 HydrophobicContact CZ-CB 4.16Å; F256-N497 WeakPolarHBondContact CD1-ND2 3.33Å
257	Q	94.9	Very high	95.1	Very high	15 Å²	15	31.8 Å²	31.8	7%	0.07	16%	0.157	C	C	.	.	H	α-helix	trans	-66.7	-46.2	175.4	-70.5	168.5	-77.7	0	0	111.9	N253 H259 A260 V307 A337 E340 R341	N253-Q257 WeakPolarHBondContact O-CB 3.39Å; N253-Q257 VanDerWaalsContact O-CG 3.25Å; N253-Q257 WeakPolarHBondContact O-CG 3.44Å; N253-Q257 PolarHBondContact O-N 3Å; N253-Q257 PolarHBondContact O-OE1 3.47Å; N253-Q257 VanDerWaalsContact O-OE1 3.1Å; Q257-H259 VanDerWaalsContact C-N 3.29Å; Q257-H259 PolarHBondContact O-N 3.43Å; Q257-A260 WeakPolarHBondContact O-CB 3.09Å; Q257-A260 PolarHBondContact O-N 3.37Å; Q257-V307 HydrophobicContact CG-CG1 4.24Å; Q257-V307 WeakPolarHBondContact CG-O 3.31Å; Q257-A337 PolarHBondContact NE2-O 2.68Å; Q257-E340 PolarHBondContact NE2-OE2 2.8Å; Q257-E340 VanDerWaalsContact NE2-OE2 3.13Å; Q257-R341 PolarHBondContact O-NE 3.2Å
258	K	94	Very high	95.1	Very high	126 Å²	126	29.8 Å²	29.8	55%	0.548	14%	0.144	S	C	.	.	H	α-helix	trans	-56.5	-44	-177.8	179.9	-178.2	175.8	-168.8	0	111.9	C254 N255	C254-K258 WeakPolarHBondContact O-CB 3.5Å; C254-K258 PolarHBondContact O-N 3.24Å; N255-K258 PolarHBondContact O-N 3.45Å
259	H	95.4	Very high	95	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	5.3	-176.9	-60.3	-74.8	0	0	0	114.1	H130 L147 F148 N255 Q257 Y305 L501	H130-H259 AromaticContact CE1-CE1 3.88Å; H130-H259 AromaticContact CE1-ND1 3.34Å; H130-H259 PolarHBondContact CE1-ND1 2.82Å; H130-H259 VanDerWaalsContact CE1-ND1 3.34Å; H130-H259 AromaticContact NE2-CG 3.99Å; H130-H259 AromaticContact NE2-ND1 3.27Å; H130-H259 PolarHBondContact NE2-ND1 3.11Å; L147-H259 PolarHBondContact O-CD2 3Å; F148-H259 HydrophobicContact CE1-CB 3.97Å; F148-H259 HydrophobicContact CZ-CB 4.24Å; N255-H259 PolarHBondContact O-CD2 3.5Å; N255-H259 VanDerWaalsContact O-CD2 3.28Å; N255-H259 PolarHBondContact O-N 2.94Å; N255-H259 VanDerWaalsContact O-N 3.15Å; Q257-H259 VanDerWaalsContact C-N 3.29Å; Q257-H259 PolarHBondContact O-N 3.43Å; H259-Y305 VanDerWaalsContact C-OH 3.26Å; H259-Y305 PolarHBondContact O-OH 3.15Å; H259-L501 HydrophobicContact CB-CD1 4.17Å
260	A	94.6	Very high	94.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-67.3	134.8	179.7	0	0	0	0	0	111.6	F256 Q257 L262 Y305 V307 R341	F256-A260 VanDerWaalsContact O-CB 3.31Å; F256-A260 WeakPolarHBondContact O-CB 3.4Å; F256-A260 PolarHBondContact O-N 3.43Å; F256-A260 VanDerWaalsContact O-N 3.14Å; Q257-A260 WeakPolarHBondContact O-CB 3.09Å; Q257-A260 PolarHBondContact O-N 3.37Å; A260-L262 PolarHBondContact O-N 3.41Å; A260-Y305 VanDerWaalsContact CA-CE1 3.48Å; A260-Y305 HydrophobicContact CB-CD1 4.09Å; A260-Y305 HydrophobicContact CB-CE1 3.5Å; A260-Y305 PolarHBondContact N-OH 3.42Å; A260-V307 HydrophobicContact CB-CG1 4.14Å; A260-V307 HydrophobicContact CB-CG2 4.1Å; A260-R341 PolarHBondContact O-NH1 3.5Å; A260-R341 PolarHBondContact O-NH2 3.39Å
261	P	92.4	Very high	94.5	Very high	7 Å²	7	28.2 Å²	28.2	5%	0.045	14%	0.136	C	C	.	.			trans	-56.5	133.6	169	-23.6	33.7	0	0	0	111.1	I131 E263 Y266 L501 I504	I131-P261 HydrophobicContact CD1-CB 4.36Å; I131-P261 HydrophobicContact CD1-CG 4.2Å; P261-E263 HydrophobicContact CB-CG 4.22Å; P261-E263 PolarHBondContact O-N 3.11Å; P261-E263 VanDerWaalsContact O-N 3.13Å; P261-Y266 PolarHBondContact O-OH 3.45Å; P261-L501 HydrophobicContact CG-CD2 4.01Å; P261-I504 HydrophobicContact CB-CD1 4.19Å; P261-I504 HydrophobicContact CG-CD1 3.51Å
262	L	90.4	Very high	93.9	Very high	27 Å²	27	25.1 Å²	25.1	14%	0.141	13%	0.126	C	C	.	.			trans	-80.9	91	178	-161.2	67.6	0	0	0	109.1	W124 A126 D128 A260 L344 Y346	W124-L262 HydrophobicContact CH2-CB 4.49Å; W124-L262 HydrophobicContact CH2-CD2 3.89Å; W124-L262 HydrophobicContact CH2-CG 3.66Å; W124-L262 HydrophobicContact CZ2-CD2 3.64Å; W124-L262 HydrophobicContact CZ2-CG 3.97Å; A126-L262 WeakPolarHBondContact CB-O 3.21Å; D128-L262 HydrophobicContact CB-CB 4.01Å; D128-L262 WeakPolarHBondContact OD2-CB 3.17Å; D128-L262 PolarHBondContact OD2-N 3.43Å; A260-L262 PolarHBondContact O-N 3.41Å; L262-L344 HydrophobicContact CD1-CD1 3.79Å; L262-L344 HydrophobicContact CD2-CD1 3.83Å; L262-L344 HydrophobicContact CG-CD1 4.01Å; L262-Y346 HydrophobicContact CD1-CE1 4.34Å
263	E	89.6	Confident	93.4	Very high	47 Å²	47	25.2 Å²	25.2	22%	0.22	13%	0.127	C	C	.	.			trans	-109.4	165.2	179.8	-64.5	-175.2	-174.3	0	0	111.8	P261 Y266	P261-E263 HydrophobicContact CB-CG 4.22Å; P261-E263 PolarHBondContact O-N 3.11Å; P261-E263 VanDerWaalsContact O-N 3.13Å; E263-Y266 PolarHBondContact N-OH 3.32Å; E263-Y266 WeakPolarHBondContact O-CE2 3.31Å; E263-Y266 PolarHBondContact O-OH 3.18Å
264	E	91.1	Very high	92.3	Very high	62 Å²	62	26.2 Å²	26.2	29%	0.29	13%	0.131	S	C	.	.	S	Bend	trans	-76.3	-38.4	170.5	-177.7	-179.3	177.8	0	0	111.7	H347 K369	E264-H347 HydrophobicContact CG-CB 4.32Å; E264-H347 PolarHBondContact O-N 3.26Å; E264-K369 IonicContact OE1-NZ 3.63Å; E264-K369 PolarHBondContact OE1-NZ 3.27Å
265	F	94.3	Very high	91	Very high	41 Å²	41	23.5 Å²	23.5	18%	0.18	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.1	-163.4	-55.2	-67	0	0	0	113.4	S302 H347 F349 L455 K459	F265-S302 VanDerWaalsContact CB-OG 3.25Å; F265-S302 WeakPolarHBondContact CB-OG 3.42Å; F265-S302 PolarHBondContact O-N 2.81Å; F265-S302 PolarHBondContact O-OG 3.41Å; F265-H347 WeakPolarHBondContact CA-O 3.18Å; F265-H347 HydrophobicContact CD1-CB 3.9Å; F265-H347 HydrophobicContact CE1-CB 4.29Å; F265-H347 AromaticContact CE1-ND1 3.93Å; F265-F349 HydrophobicContact CB-CE2 4.01Å; F265-F349 AromaticContact CD1-CE2 3.66Å; F265-F349 HydrophobicContact CD1-CE2 3.66Å; F265-F349 AromaticContact CD1-CZ 3.9Å; F265-F349 HydrophobicContact CD1-CZ 3.9Å; F265-F349 HydrophobicContact CE1-CZ 4.47Å; F265-F349 HydrophobicContact CG-CE2 4.25Å; F265-L455 HydrophobicContact CE1-CD1 4.14Å; F265-L455 HydrophobicContact CE1-CD2 4.4Å; F265-L455 HydrophobicContact CZ-CD1 4.38Å; F265-K459 HydrophobicContact CB-CB 4.47Å; F265-K459 HydrophobicContact CB-CD 3.86Å; F265-K459 HydrophobicContact CB-CG 4.19Å; F265-K459 HydrophobicContact CD1-CD 4.45Å; F265-K459 HydrophobicContact CD1-CG 4.26Å; F265-K459 HydrophobicContact CD2-CD 4Å; F265-K459 VanDerWaalsContact CD2-CE 3.47Å; F265-K459 HydrophobicContact CG-CD 3.84Å; F265-K459 HydrophobicContact CG-CG 4.12Å
266	Y	96.3	Very high	88.9	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.6	178.2	-63.7	-91.9	0	0	0	111.9	P261 E263 T300 T301 V307 F334 L338 Y346 H347 I348 F349	P261-Y266 PolarHBondContact O-OH 3.45Å; E263-Y266 PolarHBondContact N-OH 3.32Å; E263-Y266 WeakPolarHBondContact O-CE2 3.31Å; E263-Y266 PolarHBondContact O-OH 3.18Å; Y266-T300 CarbonylContact C-O 3.43Å; Y266-T300 VanDerWaalsContact CA-O 3.24Å; Y266-T300 WeakPolarHBondContact CA-O 3.44Å; Y266-T300 WeakPolarHBondContact CB-O 3.29Å; Y266-T301 HydrophobicContact CD1-CG2 4.29Å; Y266-T301 HydrophobicContact CE1-CG2 3.92Å; Y266-V307 HydrophobicContact CD1-CG2 4.08Å; Y266-V307 HydrophobicContact CE1-CG2 3.88Å; Y266-F334 HydrophobicContact CD1-CZ 4.19Å; Y266-F334 HydrophobicContact CG-CZ 4.35Å; Y266-L338 HydrophobicContact CD1-CD1 4.46Å; Y266-L338 HydrophobicContact CD1-CD2 4.22Å; Y266-L338 HydrophobicContact CD2-CD1 4.11Å; Y266-L338 HydrophobicContact CE1-CD2 3.9Å; Y266-L338 HydrophobicContact CE2-CD1 4.43Å; Y266-L338 HydrophobicContact CE2-CD2 4.43Å; Y266-L338 HydrophobicContact CG-CD1 4.13Å; Y266-Y346 HydrophobicContact CD2-CD1 4.26Å; Y266-Y346 AromaticContact CE2-CD1 3.54Å; Y266-Y346 HydrophobicContact CE2-CD1 3.54Å; Y266-Y346 AromaticContact CE2-CE1 3.99Å; Y266-Y346 HydrophobicContact CE2-CE1 3.99Å; Y266-Y346 HydrophobicContact CE2-CG 4.24Å; Y266-H347 PolarHBondContact N-O 2.84Å; Y266-I348 CarbonylContact O-C 3.59Å; Y266-I348 WeakPolarHBondContact O-CA 3.49Å; Y266-F349 VanDerWaalsContact O-CD2 3.32Å; Y266-F349 WeakPolarHBondContact O-CD2 3.47Å; Y266-F349 PolarHBondContact O-N 3.46Å
267	S	96.6	Very high	86.6	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.014	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.7	172.5	-173.2	0	0	0	0	110.1	G299 T300 F349 V460	S267-G299 CarbonylContact O-C 3.5Å; S267-G299 WeakPolarHBondContact O-CA 3.22Å; S267-T300 PolarHBondContact N-O 3.07Å; S267-T300 PolarHBondContact O-N 3.23Å; S267-T300 PolarHBondContact O-OG1 2.92Å; S267-F349 CarbonylContact C-O 3.58Å; S267-F349 WeakPolarHBondContact CA-O 3.47Å; S267-V460 PolarHBondContact OG-O 3.37Å
268	F	96.7	Very high	83.8	Confident	3 Å²	3	32 Å²	32	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.7	172.2	-176.7	-87.2	0	0	0	110.1	W297 C298 W308 M330 V331 F334 I348 F349 F350 F354	F268-W297 HydrophobicContact CZ-CB 4.01Å; F268-C298 WeakPolarHBondContact CA-O 3.5Å; F268-C298 WeakPolarHBondContact CD2-O 3.36Å; F268-W308 HydrophobicContact CE2-CE3 4.28Å; F268-W308 AromaticContact CE2-CZ3 3.81Å; F268-W308 HydrophobicContact CE2-CZ3 3.81Å; F268-W308 HydrophobicContact CZ-CZ3 4.45Å; F268-M330 HydrophobicContact CE1-CB 4.49Å; F268-M330 HydrophobicContact CZ-CB 3.8Å; F268-V331 HydrophobicContact CD1-CG2 3.55Å; F268-V331 HydrophobicContact CE1-CG2 3.67Å; F268-V331 HydrophobicContact CG-CG2 4.13Å; F268-V331 HydrophobicContact CZ-CG2 4.32Å; F268-F334 HydrophobicContact CB-CD1 4.21Å; F268-F334 HydrophobicContact CB-CE1 4.47Å; F268-F334 HydrophobicContact CD2-CB 3.75Å; F268-F334 AromaticContact CD2-CD1 3.59Å; F268-F334 HydrophobicContact CD2-CD1 3.59Å; F268-F334 HydrophobicContact CD2-CE1 4.42Å; F268-F334 AromaticContact CD2-CG 3.81Å; F268-F334 HydrophobicContact CD2-CG 3.81Å; F268-F334 HydrophobicContact CE2-CB 3.74Å; F268-F334 HydrophobicContact CE2-CD1 4.44Å; F268-F334 HydrophobicContact CE2-CG 4.26Å; F268-F334 HydrophobicContact CG-CD1 4.32Å; F268-I348 HydrophobicContact CB-CG2 4.07Å; F268-F349 PolarHBondContact N-O 3.07Å; F268-F350 HydrophobicContact CB-CB 4.23Å; F268-F350 WeakPolarHBondContact O-CB 3.23Å; F268-F354 HydrophobicContact CD1-CD1 4.19Å; F268-F354 HydrophobicContact CD1-CD2 4.13Å; F268-F354 HydrophobicContact CD1-CE1 4.37Å; F268-F354 HydrophobicContact CD1-CE2 4.33Å; F268-F354 HydrophobicContact CD1-CG 4.08Å; F268-F354 HydrophobicContact CD1-CZ 4.43Å; F268-F354 AromaticContact CE1-CD1 3.69Å; F268-F354 HydrophobicContact CE1-CD1 3.69Å; F268-F354 HydrophobicContact CE1-CD2 4.35Å; F268-F354 AromaticContact CE1-CE1 3.65Å; F268-F354 HydrophobicContact CE1-CE1 3.65Å; F268-F354 HydrophobicContact CE1-CE2 4.32Å; F268-F354 HydrophobicContact CE1-CG 4.06Å; F268-F354 AromaticContact CE1-CZ 3.97Å; F268-F354 HydrophobicContact CE1-CZ 3.97Å
269	G	93.4	Very high	81.4	Confident	6 Å²	6	34.1 Å²	34.1	6%	0.062	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-157.1	-177.6	0	0	0	0	0	113.6	W297 C298	G269-W297 WeakPolarHBondContact O-CA 3.29Å; G269-C298 PolarHBondContact N-O 3.43Å; G269-C298 PolarHBondContact O-N 3.39Å
270	E	90.8	Very high	78.7	Confident	51 Å²	51	34 Å²	34	24%	0.238	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.6	-172.8	-53.1	-176.9	147.7	0	0	109.3	K295 I296 F354 V463	E270-K295 WeakPolarHBondContact OE1-CE 3.45Å; E270-K295 IonicContact OE1-NZ 3.24Å; E270-K295 PolarHBondContact OE1-NZ 3.29Å; E270-K295 VanDerWaalsContact OE2-CE 3.25Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 3.28Å; E270-K295 PolarHBondContact OE2-NZ 2.91Å; E270-I296 CarbonylContact C-O 3.59Å; E270-I296 WeakPolarHBondContact CA-O 3.33Å; E270-F354 HydrophobicContact CG-CE2 3.87Å; E270-F354 HydrophobicContact CG-CZ 3.45Å; E270-F354 VanDerWaalsContact CG-CZ 3.45Å; E270-F354 VanDerWaalsContact OE1-CZ 3.3Å; E270-F354 WeakPolarHBondContact OE1-CZ 3.48Å; E270-V463 WeakPolarHBondContact O-CG1 3.48Å
271	S	90.9	Very high	76.2	Confident	6 Å²	6	37.4 Å²	37.4	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	169.1	170.4	179.4	0	0	0	0	108.6	I296 D467	S271-I296 PolarHBondContact N-O 3.3Å; S271-I296 PolarHBondContact O-N 3.23Å; S271-D467 WeakPolarHBondContact CB-OD1 3.19Å; S271-D467 PolarHBondContact OG-OD1 2.99Å
272	M	85.9	Confident	73.9	Confident	32 Å²	32	39.4 Å²	39.4	16%	0.158	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	119.1	-178.8	-173.3	177.2	-66.6	0	0	111.4	E41 F43 E274 R291	E41-M272 HydrophobicContact CB-CE 4.09Å; E41-M272 HydrophobicContact CG-CE 4.4Å; F43-M272 HydrophobicContact CD1-CE 4.05Å; F43-M272 HydrophobicContact CE1-CE 3.51Å; F43-M272 HydrophobicContact CZ-CE 4.24Å; M272-E274 HydrophobicContact CG-CG 4.41Å; M272-E274 PolarHBondContact O-N 3Å; M272-E274 HydrophobicContact SD-CG 4.4Å; M272-R291 HydrophobicContact SD-CB 4.29Å
273	C	85.9	Confident	71.4	Confident	1 Å²	1	45 Å²	45	1%	0.007	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	89.3	161.7	172.1	0	0	0	0	108.2	Y275 G293 Y294 I296 S485 Y489	C273-Y275 PolarHBondContact O-N 2.92Å; C273-G293 CarbonylContact O-C 3.47Å; C273-G293 VanDerWaalsContact O-CA 3.31Å; C273-G293 WeakPolarHBondContact O-CA 3.43Å; C273-Y294 PolarHBondContact N-O 3.47Å; C273-Y294 PolarHBondContact O-N 3.27Å; C273-I296 HydrophobicContact CB-CD1 3.46Å; C273-I296 VanDerWaalsContact CB-CD1 3.46Å; C273-I296 HydrophobicContact CB-CG1 4.22Å; C273-S485 PolarHBondContact SG-O 2.97Å; C273-Y489 HydrophobicContact CB-CD2 4Å; C273-Y489 HydrophobicContact CB-CG 4.03Å
274	E	74.8	Confident	69.3	Low	34 Å²	34	45 Å²	45	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	136.2	177	-51.6	167.4	143.2	0	0	110.5	M272 F276 R291 L292 K474	M272-E274 HydrophobicContact CG-CG 4.41Å; M272-E274 PolarHBondContact O-N 3Å; M272-E274 HydrophobicContact SD-CG 4.4Å; E274-F276 HydrophobicContact CB-CD2 3.96Å; E274-F276 HydrophobicContact CB-CE2 3.34Å; E274-F276 HydrophobicContact CB-CZ 4.04Å; E274-F276 HydrophobicContact CG-CE2 4.22Å; E274-F276 WeakPolarHBondContact OE2-CE2 3.03Å; E274-F276 VanDerWaalsContact OE2-CZ 3.24Å; E274-F276 WeakPolarHBondContact OE2-CZ 3.44Å; E274-R291 IonicContact OE1-CZ 3.55Å; E274-R291 IonicContact OE1-NE 2.59Å; E274-L292 CarbonylContact C-O 3.51Å; E274-L292 WeakPolarHBondContact CA-O 3.27Å; E274-K474 VanDerWaalsContact CB-NZ 3.28Å; E274-K474 IonicContact OE2-NZ 3.67Å; E274-K474 PolarHBondContact OE2-NZ 3.4Å
275	Y	68	Low	67.1	Low	9 Å²	9	51 Å²	51	4%	0.035	25%	0.247	C	C	.	.			trans	-110	133.7	176	170.9	-97.1	0	0	0	108.4	I44 L70 P71 V74 C273 L292 Y294	I44-Y275 HydrophobicContact CD1-CD1 4.07Å; L70-Y275 HydrophobicContact CD2-CD1 4.32Å; L70-Y275 HydrophobicContact CD2-CE1 3.26Å; L70-Y275 WeakPolarHBondContact CD2-OH 3.37Å; L70-Y275 HydrophobicContact CG-CE1 4.46Å; P71-Y275 VanDerWaalsContact CD-OH 3.32Å; P71-Y275 WeakPolarHBondContact CD-OH 3.42Å; V74-Y275 HydrophobicContact CB-CE1 3.84Å; V74-Y275 HydrophobicContact CB-CE2 4.44Å; V74-Y275 WeakPolarHBondContact CB-OH 3.33Å; V74-Y275 HydrophobicContact CG1-CD1 3.79Å; V74-Y275 HydrophobicContact CG1-CE1 3.13Å; V74-Y275 HydrophobicContact CG1-CE2 4.23Å; V74-Y275 VanDerWaalsContact CG1-CZ 3.41Å; V74-Y275 HydrophobicContact CG2-CE1 4.22Å; V74-Y275 HydrophobicContact CG2-CE2 3.91Å; V74-Y275 WeakPolarHBondContact CG2-OH 3.11Å; C273-Y275 PolarHBondContact O-N 2.92Å; Y275-L292 PolarHBondContact N-O 2.8Å; Y275-Y294 HydrophobicContact CD2-CE2 4.04Å; Y275-Y294 HydrophobicContact CG-CE2 4.36Å
276	F	54.2	Low	64.7	Low	60 Å²	60	55.9 Å²	55.9	26%	0.263	26%	0.264	S	S	.	.			trans	-127	124.5	-173.4	-70.5	-110	0	0	0	111.4	E274 R478	E274-F276 HydrophobicContact CB-CD2 3.96Å; E274-F276 HydrophobicContact CB-CE2 3.34Å; E274-F276 HydrophobicContact CB-CZ 4.04Å; E274-F276 HydrophobicContact CG-CE2 4.22Å; E274-F276 WeakPolarHBondContact OE2-CE2 3.03Å; E274-F276 VanDerWaalsContact OE2-CZ 3.24Å; E274-F276 WeakPolarHBondContact OE2-CZ 3.44Å; F276-R478 VanDerWaalsContact CD2-CZ 3.49Å
277	G	49.4	Very low	62	Low	15 Å²	15	57.6 Å²	57.6	16%	0.155	28%	0.282	C	S	.	.	S	Bend	trans	-83.6	174	144	0	0	0	0	0	109.5	H69 R279 G280	H69-G277 WeakPolarHBondContact O-CA 3.2Å; G277-R279 CarbonylContact O-C 3.05Å; G277-R279 PolarHBondContact O-N 2.94Å; G277-G280 PolarHBondContact O-N 2.98Å
278	H	36.5	Very low	59.6	Low	130 Å²	130	61.3 Å²	61.3	60%	0.602	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-6	-178.5	-159.4	-30.9	0	0	0	114.6	H69	H69-H278 HydrophobicContact CB-CB 4.28Å; H69-H278 AromaticContact CD2-CD2 3.96Å
279	R	42.4	Very low	57.1	Low	171 Å²	171	63.4 Å²	63.4	65%	0.645	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	48.7	168	-52.6	-175.8	-168.8	-145.5	3.6	112.8	G277 S281 K282	G277-R279 CarbonylContact O-C 3.05Å; G277-R279 PolarHBondContact O-N 2.94Å; R279-S281 CarbonylContact O-C 3.55Å; R279-S281 PolarHBondContact O-N 2.72Å; R279-K282 HydrophobicContact CB-CG 3.67Å; R279-K282 HydrophobicContact CG-CG 4.46Å; R279-K282 PolarHBondContact O-N 2.68Å
280	G	38.1	Very low	55.1	Low	11 Å²	11	63.8 Å²	63.8	11%	0.113	31%	0.313	C	S	.	.	S	Bend	trans	-72.6	7.9	179.6	0	0	0	0	0	114.9	G277	G277-G280 PolarHBondContact O-N 2.98Å
281	S	43.2	Very low	53.7	Low	71 Å²	71	66.5 Å²	66.5	50%	0.497	32%	0.321	S	S	.	.	S	Bend	trans	-125	99.2	135.5	50.8	0	0	0	0	106.8	R279 Q283	R279-S281 CarbonylContact O-C 3.55Å; R279-S281 PolarHBondContact O-N 2.72Å; S281-Q283 PolarHBondContact O-N 2.64Å
282	K	42.6	Very low	52.7	Low	48 Å²	48	67 Å²	67	21%	0.209	32%	0.324	C	S	.	.			trans	-66.6	110.3	162.4	-90.8	-170.7	177	-176.7	0	103.1	E31 R279 L284	E31-K282 IonicContact OE1-NZ 3.96Å; E31-K282 PolarHBondContact OE1-NZ 3.31Å; R279-K282 HydrophobicContact CB-CG 3.67Å; R279-K282 HydrophobicContact CG-CG 4.46Å; R279-K282 PolarHBondContact O-N 2.68Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 2.9Å; K282-L284 VanDerWaalsContact O-N 3.09Å
283	Q	38.2	Very low	52.4	Low	145 Å²	145	65.5 Å²	65.5	68%	0.678	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-60.6	111.7	148.9	-80	-175.3	7.6	0	0	103.9	S281 K288	S281-Q283 PolarHBondContact O-N 2.64Å; Q283-K288 WeakPolarHBondContact CA-O 3.49Å
284	L	45.5	Very low	52.2	Low	46 Å²	46	65.5 Å²	65.5	24%	0.241	32%	0.316	C	S	.	.			trans	-48.6	159.5	157.1	-139.4	77.2	0	0	0	107.2	M30 K282 R286 G287	M30-L284 HydrophobicContact CB-CD1 4.45Å; K282-L284 VanDerWaalsContact C-N 3.3Å; K282-L284 PolarHBondContact O-N 2.9Å; K282-L284 VanDerWaalsContact O-N 3.09Å; L284-R286 CarbonylContact O-C 3.57Å; L284-R286 PolarHBondContact O-N 3.34Å; L284-G287 PolarHBondContact O-N 3.14Å
285	H	44.7	Very low	52.8	Low	190 Å²	190	64.6 Å²	64.6	88%	0.88	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-15.5	176.4	-64.5	94.6	0	0	0	113.7
286	R	44.6	Very low	53.9	Low	142 Å²	142	64.1 Å²	64.1	54%	0.536	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	14.5	175	-58.6	-173.6	178.3	-174.4	4.3	116.8	E34 L284 K288	E34-R286 PolarHBondContact O-NH1 3.34Å; E34-R286 PolarHBondContact O-NH2 2.86Å; E34-R286 IonicContact OE1-NH2 2.67Å; E34-R286 PolarHBondContact OE1-NH2 3.31Å; L284-R286 CarbonylContact O-C 3.57Å; L284-R286 PolarHBondContact O-N 3.34Å; R286-K288 PolarHBondContact O-N 3.44Å
287	G	39.7	Very low	55.8	Low	37 Å²	37	61.9 Å²	61.9	38%	0.381	30%	0.299	S	S	.	.			trans	78.4	10.2	169.5	0	0	0	0	0	117.5	L284	L284-G287 PolarHBondContact O-N 3.14Å
288	K	45.8	Very low	58	Low	79 Å²	79	61.2 Å²	61.2	34%	0.343	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-90.1	131.5	-177.7	-66.9	178	-178.4	168.5	0	112.4	N36 Q283 R286	N36-K288 PolarHBondContact O-NZ 3.11Å; Q283-K288 WeakPolarHBondContact CA-O 3.49Å; R286-K288 PolarHBondContact O-N 3.44Å
289	P	45	Very low	60.9	Low	48 Å²	48	55 Å²	55	31%	0.312	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-82.8	120.6	175.2	31	-30.8	0	0	0	111.2
290	V	52	Low	63.6	Low	14 Å²	14	46.9 Å²	46.9	9%	0.085	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-93.7	132.1	167.2	179.5	0	0	0	0	108.5	M30 E40 I42 L292	M30-V290 HydrophobicContact CE-CG1 4.16Å; M30-V290 HydrophobicContact CE-CG2 3.6Å; E40-V290 WeakPolarHBondContact O-CG1 3.49Å; I42-V290 HydrophobicContact CD1-CG1 3.58Å; I42-V290 HydrophobicContact CG1-CG1 3.9Å; V290-L292 HydrophobicContact CB-CD1 4.45Å; V290-L292 HydrophobicContact CG1-CD1 3.91Å; V290-L292 HydrophobicContact CG1-CG 4.39Å
291	R	61.2	Low	66.3	Low	108 Å²	108	46.4 Å²	46.4	41%	0.408	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123	174.3	-77.4	-177.6	171.1	177.6	-6	109.7	E40 E41 I42 M272 E274	E40-R291 PolarHBondContact O-N 3.42Å; E41-R291 WeakPolarHBondContact CA-O 3.32Å; E41-R291 HydrophobicContact CG-CB 4.4Å; I42-R291 PolarHBondContact N-O 3.48Å; M272-R291 HydrophobicContact SD-CB 4.29Å; E274-R291 IonicContact OE1-CZ 3.55Å; E274-R291 IonicContact OE1-NE 2.59Å
292	L	70.1	Confident	68.6	Low	17 Å²	17	43.5 Å²	43.5	9%	0.089	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137	174.5	-67.3	101.9	0	0	0	109.5	L23 L27 I42 I44 E274 Y275 V290	L23-L292 HydrophobicContact CD1-CD2 3.53Å; L23-L292 HydrophobicContact CD2-CD2 4.43Å; L27-L292 HydrophobicContact CD2-CD2 4.37Å; I42-L292 HydrophobicContact CB-CD2 4.32Å; I42-L292 HydrophobicContact CB-CG 4.17Å; I42-L292 HydrophobicContact CD1-CD2 4.4Å; I42-L292 HydrophobicContact CD1-CG 4.5Å; I42-L292 HydrophobicContact CG2-CD2 4.37Å; I42-L292 WeakPolarHBondContact O-CA 3.37Å; I44-L292 HydrophobicContact CD1-CB 3.88Å; I44-L292 HydrophobicContact CD1-CD2 3.87Å; I44-L292 HydrophobicContact CD1-CG 4.48Å; E274-L292 CarbonylContact C-O 3.51Å; E274-L292 WeakPolarHBondContact CA-O 3.27Å; Y275-L292 PolarHBondContact N-O 2.8Å; V290-L292 HydrophobicContact CB-CD1 4.45Å; V290-L292 HydrophobicContact CG1-CD1 3.91Å; V290-L292 HydrophobicContact CG1-CG 4.39Å
293	G	77.7	Confident	71	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.4	169.5	-179.6	0	0	0	0	0	116.3	I42 I44 C273	I42-G293 PolarHBondContact O-N 2.85Å; I44-G293 PolarHBondContact N-O 2.85Å; C273-G293 CarbonylContact O-C 3.47Å; C273-G293 VanDerWaalsContact O-CA 3.31Å; C273-G293 WeakPolarHBondContact O-CA 3.43Å
294	Y	83.4	Confident	73.7	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	129.2	168.6	-53.7	-67.5	0	0	0	109.3	I44 P46 F242 C273 Y275 W482	I44-Y294 VanDerWaalsContact O-CD1 3.28Å; I44-Y294 WeakPolarHBondContact O-CD1 3.36Å; P46-Y294 HydrophobicContact CB-CE1 4.2Å; F242-Y294 HydrophobicContact CE1-CD1 4.43Å; F242-Y294 HydrophobicContact CE1-CG 4.49Å; F242-Y294 HydrophobicContact CZ-CD1 4.14Å; F242-Y294 HydrophobicContact CZ-CG 4.41Å; C273-Y294 PolarHBondContact N-O 3.47Å; C273-Y294 PolarHBondContact O-N 3.27Å; Y275-Y294 HydrophobicContact CD2-CE2 4.04Å; Y275-Y294 HydrophobicContact CG-CE2 4.36Å; Y294-W482 HydrophobicContact CE2-CE3 4.46Å; Y294-W482 AromaticContact CZ-CE3 3.97Å; Y294-W482 PolarHBondContact OH-O 3.09Å
295	K	86.5	Confident	76.2	Confident	14 Å²	14	36.8 Å²	36.8	6%	0.061	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	133.7	173.3	-173.5	165.1	175.6	153.5	0	110.3	F43 E82 E270 S312	F43-K295 HydrophobicContact CD1-CB 3.68Å; F43-K295 HydrophobicContact CD1-CD 3.97Å; F43-K295 HydrophobicContact CD1-CG 4.17Å; F43-K295 HydrophobicContact CE1-CB 4.1Å; F43-K295 HydrophobicContact CE1-CD 3.88Å; F43-K295 HydrophobicContact CE1-CG 4.11Å; F43-K295 HydrophobicContact CG-CB 4.47Å; F43-K295 HydrophobicContact CG-CD 4.43Å; F43-K295 HydrophobicContact CZ-CD 4.31Å; E82-K295 IonicContact OE1-NZ 3.53Å; E82-K295 PolarHBondContact OE1-NZ 3.08Å; E82-K295 IonicContact OE2-NZ 2.69Å; E270-K295 WeakPolarHBondContact OE1-CE 3.45Å; E270-K295 IonicContact OE1-NZ 3.24Å; E270-K295 PolarHBondContact OE1-NZ 3.29Å; E270-K295 VanDerWaalsContact OE2-CE 3.25Å; E270-K295 WeakPolarHBondContact OE2-CE 3.44Å; E270-K295 IonicContact OE2-NZ 3.28Å; E270-K295 PolarHBondContact OE2-NZ 2.91Å; K295-S312 PolarHBondContact O-N 3.02Å
296	I	91.4	Very high	78.7	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.8	179.4	-60.7	-175.5	0	0	0	109	E270 S271 C273 F309 P311 F486 Y489	E270-I296 CarbonylContact C-O 3.59Å; E270-I296 WeakPolarHBondContact CA-O 3.33Å; S271-I296 PolarHBondContact N-O 3.3Å; S271-I296 PolarHBondContact O-N 3.23Å; C273-I296 HydrophobicContact CB-CD1 3.46Å; C273-I296 VanDerWaalsContact CB-CD1 3.46Å; C273-I296 HydrophobicContact CB-CG1 4.22Å; I296-F309 HydrophobicContact CG2-CB 3.77Å; I296-F309 HydrophobicContact CG2-CD2 4.07Å; I296-F309 HydrophobicContact CG2-CG 4.4Å; I296-P311 HydrophobicContact CG1-CB 4.46Å; I296-F486 HydrophobicContact CD1-CE2 4.33Å; I296-Y489 HydrophobicContact CD1-CD1 3.65Å; I296-Y489 HydrophobicContact CD1-CD2 4.04Å; I296-Y489 HydrophobicContact CD1-CE1 3.4Å; I296-Y489 VanDerWaalsContact CD1-CE1 3.4Å; I296-Y489 HydrophobicContact CD1-CE2 3.79Å; I296-Y489 HydrophobicContact CD1-CG 3.97Å; I296-Y489 VanDerWaalsContact CD1-CZ 3.48Å; I296-Y489 HydrophobicContact CG2-CE1 4.48Å
297	W	93.7	Very high	81.3	Confident	13 Å²	13	21 Å²	21	5%	0.049	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	135.6	165.9	-61.5	-51.8	0	0	0	109	F268 G269 W308 F309 E310 S312 L326 M330	F268-W297 HydrophobicContact CZ-CB 4.01Å; G269-W297 WeakPolarHBondContact O-CA 3.29Å; W297-W308 HydrophobicContact CB-CZ3 4.46Å; W297-F309 CarbonylContact O-C 3.56Å; W297-F309 WeakPolarHBondContact O-CA 3.37Å; W297-E310 HydrophobicContact CE3-CG 4.37Å; W297-E310 PolarHBondContact N-O 3.2Å; W297-E310 PolarHBondContact O-N 3.36Å; W297-S312 WeakPolarHBondContact CH2-OG 3.33Å; W297-S312 VanDerWaalsContact CZ2-OG 3.27Å; W297-S312 WeakPolarHBondContact CZ2-OG 3.11Å; W297-L326 HydrophobicContact CH2-CD1 3.97Å; W297-L326 HydrophobicContact CH2-CD2 3.74Å; W297-L326 HydrophobicContact CH2-CG 3.88Å; W297-L326 HydrophobicContact CZ2-CD2 3.91Å; W297-L326 HydrophobicContact CZ2-CG 4.09Å; W297-M330 HydrophobicContact CD2-CB 4.43Å; W297-M330 HydrophobicContact CD2-CG 3.82Å; W297-M330 HydrophobicContact CD2-SD 4.46Å; W297-M330 HydrophobicContact CE3-CB 4.37Å; W297-M330 HydrophobicContact CE3-CG 3.45Å; W297-M330 VanDerWaalsContact CE3-CG 3.45Å; W297-M330 HydrophobicContact CE3-SD 3.53Å; W297-M330 VanDerWaalsContact CE3-SD 3.53Å; W297-M330 HydrophobicContact CH2-CG 4.09Å; W297-M330 HydrophobicContact CH2-SD 4.45Å; W297-M330 HydrophobicContact CZ2-CG 4.43Å; W297-M330 HydrophobicContact CZ3-CG 3.59Å; W297-M330 HydrophobicContact CZ3-SD 3.51Å; W297-M330 VanDerWaalsContact CZ3-SD 3.51Å
298	C	96.4	Very high	84	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.6	-177.6	59.3	0	0	0	0	113.5	F268 G269 L306 W308 F309	F268-C298 WeakPolarHBondContact CA-O 3.5Å; F268-C298 WeakPolarHBondContact CD2-O 3.36Å; G269-C298 PolarHBondContact N-O 3.43Å; G269-C298 PolarHBondContact O-N 3.39Å; C298-L306 HydrophobicContact CB-CD1 3.54Å; C298-W308 CarbonylContact C-O 3.52Å; C298-W308 VanDerWaalsContact CA-O 3.24Å; C298-W308 WeakPolarHBondContact CA-O 3.14Å; C298-W308 WeakPolarHBondContact CB-O 3.44Å; C298-F309 HydrophobicContact CB-CB 4.03Å
299	G	97.3	Very high	86.4	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.5	170.5	0	0	0	0	0	110.3	S267 V307 W308	S267-G299 CarbonylContact O-C 3.5Å; S267-G299 WeakPolarHBondContact O-CA 3.22Å; G299-V307 PolarHBondContact O-N 3.29Å; G299-W308 PolarHBondContact N-O 3.1Å; G299-W308 PolarHBondContact O-N 2.81Å
300	T	97.7	Very high	88.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	157.2	-176.9	58.8	0	0	0	0	111.2	Y266 S267 Y305 L306 G462 V463 M466	Y266-T300 CarbonylContact C-O 3.43Å; Y266-T300 VanDerWaalsContact CA-O 3.24Å; Y266-T300 WeakPolarHBondContact CA-O 3.44Å; Y266-T300 WeakPolarHBondContact CB-O 3.29Å; S267-T300 PolarHBondContact N-O 3.07Å; S267-T300 PolarHBondContact O-N 3.23Å; S267-T300 PolarHBondContact O-OG1 2.92Å; T300-Y305 CarbonylContact C-O 3.49Å; T300-Y305 WeakPolarHBondContact CA-O 3.32Å; T300-Y305 VanDerWaalsContact CB-O 3.29Å; T300-Y305 WeakPolarHBondContact CB-O 3.06Å; T300-L306 HydrophobicContact CG2-CD1 4.16Å; T300-G462 VanDerWaalsContact OG1-C 3.22Å; T300-G462 WeakPolarHBondContact OG1-CA 3.44Å; T300-V463 HydrophobicContact CG2-CG2 3.99Å; T300-V463 PolarHBondContact OG1-N 3.22Å; T300-V463 VanDerWaalsContact OG1-N 3.17Å; T300-M466 HydrophobicContact CG2-CB 4.47Å; T300-M466 HydrophobicContact CG2-SD 3.95Å
301	T	95.8	Very high	90.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	164.5	160.9	70.7	0	0	0	0	109.9	Y266 R303 G304 Y305 V307 G462	Y266-T301 HydrophobicContact CD1-CG2 4.29Å; Y266-T301 HydrophobicContact CE1-CG2 3.92Å; T301-R303 PolarHBondContact O-N 2.89Å; T301-R303 PolarHBondContact OG1-N 3.47Å; T301-G304 PolarHBondContact O-N 2.8Å; T301-Y305 HydrophobicContact CG2-CD1 4.45Å; T301-Y305 PolarHBondContact N-O 3.48Å; T301-Y305 WeakPolarHBondContact OG1-CB 3.39Å; T301-Y305 PolarHBondContact OG1-N 3.26Å; T301-V307 HydrophobicContact CG2-CG2 4.1Å; T301-G462 WeakPolarHBondContact O-CA 3.22Å
302	S	92.2	Very high	91.7	Very high	10 Å²	10	9.9 Å²	9.9	7%	0.07	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.1	176.9	-65	0	0	0	0	113.2	F265 K459 R465	F265-S302 VanDerWaalsContact CB-OG 3.25Å; F265-S302 WeakPolarHBondContact CB-OG 3.42Å; F265-S302 PolarHBondContact O-N 2.81Å; F265-S302 PolarHBondContact O-OG 3.41Å; S302-K459 WeakPolarHBondContact OG-CD 3.4Å; S302-R465 PolarHBondContact O-NH1 3.21Å
303	R	91.8	Very high	92.2	Very high	96 Å²	96	10.5 Å²	10.5	36%	0.362	5%	0.046	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.3	178.8	-64.8	-175.4	60.8	161.3	-2.7	114.1	T301 Q500 R503	T301-R303 PolarHBondContact O-N 2.89Å; T301-R303 PolarHBondContact OG1-N 3.47Å; R303-Q500 PolarHBondContact O-NE2 2.8Å; R303-R503 VanDerWaalsContact NH2-CZ 3.32Å
304	G	95.4	Very high	91.6	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.046	C	C	.	.			trans	86.9	25.9	178.8	0	0	0	0	0	114.4	T301 G462 M466 N496	T301-G304 PolarHBondContact O-N 2.8Å; G304-G462 VanDerWaalsContact CA-O 3.23Å; G304-G462 WeakPolarHBondContact CA-O 3.29Å; G304-M466 WeakPolarHBondContact O-CB 3.43Å; G304-N496 PolarHBondContact O-ND2 2.89Å
305	Y	97.8	Very high	90.5	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.008	8%	0.076	C	C	.	.			trans	-75.1	128.2	162.8	179.4	-75.2	0	0	0	108.2	F148 F256 H259 A260 T300 T301 V307 N497 Q500 L501	F148-Y305 VanDerWaalsContact CE1-OH 3.25Å; F148-Y305 WeakPolarHBondContact CE1-OH 3.25Å; F148-Y305 HydrophobicContact CZ-CE2 4.08Å; F148-Y305 WeakPolarHBondContact CZ-OH 3.4Å; F256-Y305 WeakPolarHBondContact O-CE1 3.31Å; F256-Y305 PolarHBondContact O-OH 3.28Å; H259-Y305 VanDerWaalsContact C-OH 3.26Å; H259-Y305 PolarHBondContact O-OH 3.15Å; A260-Y305 VanDerWaalsContact CA-CE1 3.48Å; A260-Y305 HydrophobicContact CB-CD1 4.09Å; A260-Y305 HydrophobicContact CB-CE1 3.5Å; A260-Y305 PolarHBondContact N-OH 3.42Å; T300-Y305 CarbonylContact C-O 3.49Å; T300-Y305 WeakPolarHBondContact CA-O 3.32Å; T300-Y305 VanDerWaalsContact CB-O 3.29Å; T300-Y305 WeakPolarHBondContact CB-O 3.06Å; T301-Y305 HydrophobicContact CG2-CD1 4.45Å; T301-Y305 PolarHBondContact N-O 3.48Å; T301-Y305 WeakPolarHBondContact OG1-CB 3.39Å; T301-Y305 PolarHBondContact OG1-N 3.26Å; Y305-V307 HydrophobicContact CD1-CG2 3.98Å; Y305-V307 HydrophobicContact CE1-CG2 4.4Å; Y305-N497 HydrophobicContact CD2-CB 3.84Å; Y305-N497 HydrophobicContact CE2-CB 3.49Å; Y305-N497 VanDerWaalsContact CE2-CB 3.49Å; Y305-Q500 HydrophobicContact CD2-CB 4.17Å; Y305-L501 HydrophobicContact CD2-CG 4.49Å; Y305-L501 HydrophobicContact CE2-CD1 4.25Å; Y305-L501 HydrophobicContact CE2-CD2 4.11Å; Y305-L501 HydrophobicContact CE2-CG 3.94Å
306	L	98.3	Very high	88.9	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.3	177.5	-177.7	60.4	0	0	0	110.7	F256 C298 T300 W308 F309 M466 A493 N497	F256-L306 HydrophobicContact CD2-CD2 3.97Å; F256-L306 HydrophobicContact CD2-CG 4.11Å; F256-L306 HydrophobicContact CE2-CD2 3.72Å; F256-L306 HydrophobicContact CE2-CG 4.34Å; C298-L306 HydrophobicContact CB-CD1 3.54Å; T300-L306 HydrophobicContact CG2-CD1 4.16Å; L306-W308 WeakPolarHBondContact CD1-O 3.42Å; L306-F309 HydrophobicContact CD1-CB 4.26Å; L306-F309 HydrophobicContact CD2-CB 4.37Å; L306-F309 HydrophobicContact CD2-CD1 3.91Å; L306-F309 HydrophobicContact CD2-CG 4.28Å; L306-M466 HydrophobicContact CB-SD 3.68Å; L306-M466 HydrophobicContact CD1-SD 3.77Å; L306-M466 HydrophobicContact CD2-SD 4.15Å; L306-M466 HydrophobicContact CG-SD 4.07Å; L306-A493 HydrophobicContact CD2-CB 3.75Å; L306-N497 PolarHBondContact N-OD1 2.86Å; L306-N497 PolarHBondContact O-ND2 3.3Å
307	V	97.3	Very high	87.1	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-40.5	-179.2	-176.3	0	0	0	0	111.1	Q257 A260 Y266 G299 T301 Y305 F334 L338	Q257-V307 HydrophobicContact CG-CG1 4.24Å; Q257-V307 WeakPolarHBondContact CG-O 3.31Å; A260-V307 HydrophobicContact CB-CG1 4.14Å; A260-V307 HydrophobicContact CB-CG2 4.1Å; Y266-V307 HydrophobicContact CD1-CG2 4.08Å; Y266-V307 HydrophobicContact CE1-CG2 3.88Å; G299-V307 PolarHBondContact O-N 3.29Å; T301-V307 HydrophobicContact CG2-CG2 4.1Å; Y305-V307 HydrophobicContact CD1-CG2 3.98Å; Y305-V307 HydrophobicContact CE1-CG2 4.4Å; V307-F334 HydrophobicContact CB-CE2 4.17Å; V307-F334 HydrophobicContact CG1-CE2 4.24Å; V307-L338 HydrophobicContact CG1-CD2 3.84Å
308	W	97.3	Very high	85.5	Confident	20 Å²	20	25.9 Å²	25.9	8%	0.076	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	145.6	-174.4	177.2	89.4	0	0	0	110.1	N253 F268 W297 C298 G299 L306 E310 K333 F334 A337	N253-W308 WeakPolarHBondContact OD1-CA 3.48Å; F268-W308 HydrophobicContact CE2-CE3 4.28Å; F268-W308 AromaticContact CE2-CZ3 3.81Å; F268-W308 HydrophobicContact CE2-CZ3 3.81Å; F268-W308 HydrophobicContact CZ-CZ3 4.45Å; W297-W308 HydrophobicContact CB-CZ3 4.46Å; C298-W308 CarbonylContact C-O 3.52Å; C298-W308 VanDerWaalsContact CA-O 3.24Å; C298-W308 WeakPolarHBondContact CA-O 3.14Å; C298-W308 WeakPolarHBondContact CB-O 3.44Å; G299-W308 PolarHBondContact N-O 3.1Å; G299-W308 PolarHBondContact O-N 2.81Å; L306-W308 WeakPolarHBondContact CD1-O 3.42Å; W308-E310 HydrophobicContact CH2-CB 3.29Å; W308-E310 HydrophobicContact CH2-CG 4.29Å; W308-E310 HydrophobicContact CZ2-CB 3.59Å; W308-E310 HydrophobicContact CZ2-CG 4.47Å; W308-E310 HydrophobicContact CZ3-CB 3.97Å; W308-K333 HydrophobicContact CH2-CB 4.36Å; W308-K333 HydrophobicContact CZ2-CB 4.14Å; W308-F334 HydrophobicContact CB-CD2 3.67Å; W308-F334 HydrophobicContact CB-CE2 4Å; W308-F334 HydrophobicContact CD2-CB 4.4Å; W308-F334 HydrophobicContact CD2-CD2 4.3Å; W308-F334 HydrophobicContact CE3-CB 3.98Å; W308-F334 HydrophobicContact CE3-CD2 4.21Å; W308-F334 HydrophobicContact CE3-CG 4.42Å; W308-F334 HydrophobicContact CG-CD2 4.13Å; W308-F334 HydrophobicContact CZ3-CB 4.28Å; W308-A337 HydrophobicContact CG-CB 4.3Å
309	F	96.9	Very high	83.8	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	152.3	172.6	68.9	-72.8	0	0	0	113.1	I249 M252 N253 F256 I296 W297 C298 L306 F486 Y489 V490	I249-F309 HydrophobicContact CG1-CE2 4.33Å; I249-F309 HydrophobicContact CG2-CE2 4.33Å; I249-F309 HydrophobicContact CG2-CZ 4.36Å; M252-F309 HydrophobicContact CB-CE1 4.15Å; M252-F309 HydrophobicContact CB-CZ 4.26Å; N253-F309 PolarHBondContact ND2-O 2.93Å; N253-F309 WeakPolarHBondContact OD1-CD1 3.48Å; N253-F309 WeakPolarHBondContact OD1-CE1 3.44Å; N253-F309 PolarHBondContact OD1-N 2.93Å; N253-F309 PolarHBondContact OD1-O 3.34Å; F256-F309 HydrophobicContact CD2-CD1 4.04Å; F256-F309 AromaticContact CD2-CE1 3.82Å; F256-F309 HydrophobicContact CD2-CE1 3.82Å; F256-F309 HydrophobicContact CE2-CD1 4.07Å; F256-F309 AromaticContact CE2-CE1 3.62Å; F256-F309 HydrophobicContact CE2-CE1 3.62Å; I296-F309 HydrophobicContact CG2-CB 3.77Å; I296-F309 HydrophobicContact CG2-CD2 4.07Å; I296-F309 HydrophobicContact CG2-CG 4.4Å; W297-F309 CarbonylContact O-C 3.56Å; W297-F309 WeakPolarHBondContact O-CA 3.37Å; C298-F309 HydrophobicContact CB-CB 4.03Å; L306-F309 HydrophobicContact CD1-CB 4.26Å; L306-F309 HydrophobicContact CD2-CB 4.37Å; L306-F309 HydrophobicContact CD2-CD1 3.91Å; L306-F309 HydrophobicContact CD2-CG 4.28Å; F309-F486 HydrophobicContact CD2-CZ 4.46Å; F309-F486 HydrophobicContact CE2-CE1 4.22Å; F309-F486 HydrophobicContact CE2-CE2 4.43Å; F309-F486 AromaticContact CE2-CZ 3.63Å; F309-F486 HydrophobicContact CE2-CZ 3.63Å; F309-Y489 HydrophobicContact CD2-CE1 4.13Å; F309-Y489 HydrophobicContact CE2-CE1 4.3Å; F309-V490 HydrophobicContact CZ-CG2 4.22Å
310	E	93.4	Very high	82.2	Confident	24 Å²	24	38.5 Å²	38.5	11%	0.112	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	121	174.6	178.7	63.2	-138.9	0	0	109.2	R246 W297 W308	R246-E310 IonicContact CZ-OE1 2.83Å; R246-E310 VanDerWaalsContact CZ-OE1 3.26Å; R246-E310 IonicContact CZ-OE2 3.2Å; R246-E310 IonicContact NH1-OE1 3.4Å; R246-E310 PolarHBondContact NH1-OE1 3.3Å; R246-E310 IonicContact NH1-OE2 3.28Å; R246-E310 PolarHBondContact NH1-OE2 3.45Å; R246-E310 IonicContact NH2-OE1 3.75Å; R246-E310 PolarHBondContact NH2-OE1 3.03Å; W297-E310 HydrophobicContact CE3-CG 4.37Å; W297-E310 PolarHBondContact N-O 3.2Å; W297-E310 PolarHBondContact O-N 3.36Å; W308-E310 HydrophobicContact CH2-CB 3.29Å; W308-E310 HydrophobicContact CH2-CG 4.29Å; W308-E310 HydrophobicContact CZ2-CB 3.59Å; W308-E310 HydrophobicContact CZ2-CG 4.47Å; W308-E310 HydrophobicContact CZ3-CB 3.97Å
311	P	90.4	Very high	80.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.6	174.3	31.7	-35.7	0	0	0	111.2	F242 I249 I296 Q313 F486	F242-P311 HydrophobicContact CB-CG 4.32Å; F242-P311 HydrophobicContact CD1-CB 4.09Å; F242-P311 HydrophobicContact CD1-CG 3.8Å; F242-P311 HydrophobicContact CD2-CB 3.98Å; F242-P311 HydrophobicContact CD2-CG 3.69Å; F242-P311 HydrophobicContact CE1-CB 3.71Å; F242-P311 HydrophobicContact CE1-CG 3.98Å; F242-P311 HydrophobicContact CE2-CB 3.59Å; F242-P311 HydrophobicContact CE2-CG 3.86Å; F242-P311 HydrophobicContact CG-CB 4.22Å; F242-P311 HydrophobicContact CG-CG 3.67Å; F242-P311 HydrophobicContact CZ-CB 3.46Å; F242-P311 VanDerWaalsContact CZ-CB 3.46Å; F242-P311 HydrophobicContact CZ-CG 4.02Å; I249-P311 HydrophobicContact CD1-CG 3.71Å; I296-P311 HydrophobicContact CG1-CB 4.46Å; P311-Q313 PolarHBondContact O-N 3.08Å; P311-F486 HydrophobicContact CB-CE2 4.21Å; P311-F486 HydrophobicContact CG-CE2 4.24Å; P311-F486 HydrophobicContact CG-CZ 4.39Å
312	S	85.6	Confident	78.9	Confident	9 Å²	9	55.2 Å²	55.2	6%	0.063	26%	0.261	C	S	.	.			trans	-73.7	124	-179.3	-167.8	0	0	0	0	110.9	K295 W297 G314	K295-S312 PolarHBondContact O-N 3.02Å; W297-S312 WeakPolarHBondContact CH2-OG 3.33Å; W297-S312 VanDerWaalsContact CZ2-OG 3.27Å; W297-S312 WeakPolarHBondContact CZ2-OG 3.11Å; S312-G314 PolarHBondContact O-N 3.41Å; S312-G314 PolarHBondContact OG-N 3.26Å
313	Q	78.9	Confident	77.9	Confident	30 Å²	30	56.8 Å²	56.8	14%	0.14	27%	0.272	C	S	.	.			trans	-81.8	-2.3	172.4	-59.5	-166.5	51.6	0	0	112.9	D240 R241 F242 P311 F317	D240-Q313 PolarHBondContact OD1-NE2 3.44Å; D240-Q313 PolarHBondContact OD1-OE1 3.37Å; R241-Q313 VanDerWaalsContact N-OE1 3.13Å; R241-Q313 PolarHBondContact NH1-O 2.84Å; F242-Q313 HydrophobicContact CD2-CG 4.01Å; F242-Q313 HydrophobicContact CE2-CG 4.38Å; P311-Q313 PolarHBondContact O-N 3.08Å; Q313-F317 HydrophobicContact CB-CB 4.35Å; Q313-F317 VanDerWaalsContact O-CD2 3.25Å; Q313-F317 WeakPolarHBondContact O-CD2 3.49Å
314	G	66.9	Low	77.3	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.259	C	S	.	.			trans	92	151.6	-170.1	0	0	0	0	0	113.4	L80 S312 L316 F317 T318	L80-G314 VanDerWaalsContact CD1-CA 3.41Å; S312-G314 PolarHBondContact O-N 3.41Å; S312-G314 PolarHBondContact OG-N 3.26Å; G314-L316 VanDerWaalsContact C-N 3.26Å; G314-L316 PolarHBondContact O-N 3.04Å; G314-F317 PolarHBondContact O-N 2.63Å; G314-F317 VanDerWaalsContact O-N 3.16Å; G314-T318 PolarHBondContact O-N 2.89Å; G314-T318 VanDerWaalsContact O-N 3.11Å; G314-T318 PolarHBondContact O-OG1 3.13Å
315	T	60.5	Low	76.7	Confident	104 Å²	104	55.6 Å²	55.6	64%	0.638	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.4	-177.8	48.5	0	0	0	0	113.1	F317 L326	T315-F317 VanDerWaalsContact C-N 3.25Å; T315-F317 PolarHBondContact O-N 2.83Å; T315-L326 HydrophobicContact CG2-CD2 3.69Å
316	L	51.5	Low	76	Confident	126 Å²	126	56.7 Å²	56.7	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.3	178.1	-66.1	171.9	0	0	0	113.2	G314	G314-L316 VanDerWaalsContact C-N 3.26Å; G314-L316 PolarHBondContact O-N 3.04Å
317	F	54.2	Low	75.4	Confident	99 Å²	99	57.2 Å²	57.2	43%	0.434	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-14.8	-169.4	-55	-78.2	0	0	0	112.7	R241 Q313 G314 T315	R241-F317 VanDerWaalsContact NH1-CD2 3.26Å; Q313-F317 HydrophobicContact CB-CB 4.35Å; Q313-F317 VanDerWaalsContact O-CD2 3.25Å; Q313-F317 WeakPolarHBondContact O-CD2 3.49Å; G314-F317 PolarHBondContact O-N 2.63Å; G314-F317 VanDerWaalsContact O-N 3.16Å; T315-F317 VanDerWaalsContact C-N 3.25Å; T315-F317 PolarHBondContact O-N 2.83Å
318	T	60.4	Low	74.9	Confident	22 Å²	22	57.1 Å²	57.1	14%	0.135	28%	0.283	C	S	.	.			trans	-100.3	110	176.8	-42.6	0	0	0	0	109.9	G314 P320 L326 M330	G314-T318 PolarHBondContact O-N 2.89Å; G314-T318 VanDerWaalsContact O-N 3.11Å; G314-T318 PolarHBondContact O-OG1 3.13Å; T318-P320 WeakPolarHBondContact O-CD 3.47Å; T318-L326 HydrophobicContact CG2-CD1 3.34Å; T318-M330 HydrophobicContact CG2-CE 4.1Å
319	K	60.3	Low	74.5	Confident	199 Å²	199	56.7 Å²	56.7	87%	0.865	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-74	117.8	175.2	-68.4	179.9	-176.5	170.8	0	109.2
320	P	62.9	Low	74.3	Confident	66 Å²	66	56.9 Å²	56.9	43%	0.429	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-67.3	157.2	172.8	29.9	-33.9	0	0	0	109.9	T318 L324	T318-P320 WeakPolarHBondContact O-CD 3.47Å; P320-L324 WeakPolarHBondContact CB-O 3.36Å
321	D	64.4	Low	74.3	Confident	96 Å²	96	55.7 Å²	55.7	51%	0.513	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-60.7	143.7	165.4	176.6	34	0	0	0	109.2	S323 L324 S329	D321-S323 PolarHBondContact O-N 3.39Å; D321-S323 PolarHBondContact OD2-OG 2.63Å; D321-L324 PolarHBondContact O-N 2.91Å; D321-L324 VanDerWaalsContact O-O 3.1Å; D321-S329 PolarHBondContact N-OG 2.68Å; D321-S329 VanDerWaalsContact N-OG 3.13Å
322	R	60.8	Low	74.4	Confident	256 Å²	256	56.9 Å²	56.9	97%	0.966	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-14.9	-171.6	-65.5	-175.5	178.7	-168.7	0.9	113.2
323	S	72	Confident	74.8	Confident	43 Å²	43	61.2 Å²	61.2	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-18.9	-178.5	77.5	0	0	0	0	115	D321 K358	D321-S323 PolarHBondContact O-N 3.39Å; D321-S323 PolarHBondContact OD2-OG 2.63Å; S323-K358 WeakPolarHBondContact O-CD 3.47Å; S323-K358 WeakPolarHBondContact O-CE 3.29Å; S323-K358 PolarHBondContact O-NZ 3.11Å
324	L	79.1	Confident	75.6	Confident	19 Å²	19	59.8 Å²	59.8	10%	0.099	30%	0.296	C	S	.	.	S	Bend	trans	-127.8	166.1	-172.5	-77.6	171.4	0	0	0	111.9	P320 D321 I332 K358 L359 I362	P320-L324 WeakPolarHBondContact CB-O 3.36Å; D321-L324 PolarHBondContact O-N 2.91Å; D321-L324 VanDerWaalsContact O-O 3.1Å; L324-I332 HydrophobicContact CD1-CD1 4.46Å; L324-I332 HydrophobicContact CD1-CG1 3.7Å; L324-K358 HydrophobicContact CD2-CD 4.48Å; L324-K358 HydrophobicContact CD2-CG 4.32Å; L324-L359 HydrophobicContact CD1-CD1 3.99Å; L324-L359 HydrophobicContact CD2-CB 4.2Å; L324-L359 HydrophobicContact CD2-CD1 4.46Å; L324-I362 HydrophobicContact CD1-CD1 3.69Å; L324-I362 HydrophobicContact CD2-CD1 3.88Å; L324-I362 HydrophobicContact CG-CD1 3.74Å
325	D	82.4	Confident	76.9	Confident	51 Å²	51	59.8 Å²	59.8	27%	0.273	30%	0.296	S	S	.	.			trans	-76.3	174.8	164.2	61.4	8.7	0	0	0	110.4	G327 G328 S329 R378	D325-G327 VanDerWaalsContact C-N 3.31Å; D325-G327 PolarHBondContact O-N 3.07Å; D325-G328 PolarHBondContact O-N 3.39Å; D325-G328 PolarHBondContact OD1-N 2.97Å; D325-S329 WeakPolarHBondContact O-CB 3.47Å; D325-S329 PolarHBondContact O-N 3.14Å; D325-S329 PolarHBondContact O-OG 3.19Å; D325-R378 IonicContact OD2-CZ 2.89Å; D325-R378 IonicContact OD2-NE 2.77Å; D325-R378 IonicContact OD2-NH1 3.94Å; D325-R378 IonicContact OD2-NH2 2.83Å; D325-R378 PolarHBondContact OD2-NH2 2.68Å
326	L	82.7	Confident	78.5	Confident	25 Å²	25	57.9 Å²	57.9	13%	0.131	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-45.1	-179.5	178.7	58.9	0	0	0	111.6	W297 T315 T318 S329 M330	W297-L326 HydrophobicContact CH2-CD1 3.97Å; W297-L326 HydrophobicContact CH2-CD2 3.74Å; W297-L326 HydrophobicContact CH2-CG 3.88Å; W297-L326 HydrophobicContact CZ2-CD2 3.91Å; W297-L326 HydrophobicContact CZ2-CG 4.09Å; T315-L326 HydrophobicContact CG2-CD2 3.69Å; T318-L326 HydrophobicContact CG2-CD1 3.34Å; L326-S329 WeakPolarHBondContact O-CB 3.45Å; L326-S329 PolarHBondContact O-N 3.03Å; L326-M330 HydrophobicContact CD1-CE 4.09Å; L326-M330 HydrophobicContact CD1-CG 4.42Å; L326-M330 WeakPolarHBondContact O-CG 3.21Å; L326-M330 PolarHBondContact O-N 3.44Å
327	G	84.5	Confident	80.5	Confident	11 Å²	11	52.3 Å²	52.3	11%	0.113	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-50.8	178.8	0	0	0	0	0	112.4	D325 S329 M330 V331	D325-G327 VanDerWaalsContact C-N 3.31Å; D325-G327 PolarHBondContact O-N 3.07Å; G327-S329 VanDerWaalsContact C-N 3.29Å; G327-S329 PolarHBondContact O-N 2.68Å; G327-M330 PolarHBondContact O-N 3.42Å; G327-V331 PolarHBondContact O-N 3.1Å; G327-V331 VanDerWaalsContact O-N 3.08Å
328	G	88.3	Confident	82.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-39.4	175.6	0	0	0	0	0	112.5	D325 M330 V331 I332	D325-G328 PolarHBondContact O-N 3.39Å; D325-G328 PolarHBondContact OD1-N 2.97Å; G328-M330 VanDerWaalsContact C-N 3.33Å; G328-M330 PolarHBondContact O-N 3.44Å; G328-V331 PolarHBondContact O-N 3.34Å; G328-I332 WeakPolarHBondContact O-CG1 3.19Å; G328-I332 PolarHBondContact O-N 2.72Å
329	S	89.3	Confident	83.7	Confident	11 Å²	11	47.3 Å²	47.3	8%	0.077	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-39	177	-57.2	0	0	0	0	112.2	D321 D325 L326 G327 I332 K333	D321-S329 PolarHBondContact N-OG 2.68Å; D321-S329 VanDerWaalsContact N-OG 3.13Å; D325-S329 WeakPolarHBondContact O-CB 3.47Å; D325-S329 PolarHBondContact O-N 3.14Å; D325-S329 PolarHBondContact O-OG 3.19Å; L326-S329 WeakPolarHBondContact O-CB 3.45Å; L326-S329 PolarHBondContact O-N 3.03Å; G327-S329 VanDerWaalsContact C-N 3.29Å; G327-S329 PolarHBondContact O-N 2.68Å; S329-I332 PolarHBondContact O-N 2.7Å; S329-K333 PolarHBondContact O-N 3.49Å; S329-K333 VanDerWaalsContact O-N 3.08Å
330	M	90.9	Very high	85.1	Confident	3 Å²	3	44.9 Å²	44.9	2%	0.015	22%	0.222	C	C	.	.	H	α-helix	trans	-72.1	-35.3	177.2	-64.4	-59.9	109	0	0	112.7	F268 W297 T318 L326 G327 G328 I332 K333 F334	F268-M330 HydrophobicContact CE1-CB 4.49Å; F268-M330 HydrophobicContact CZ-CB 3.8Å; W297-M330 HydrophobicContact CD2-CB 4.43Å; W297-M330 HydrophobicContact CD2-CG 3.82Å; W297-M330 HydrophobicContact CD2-SD 4.46Å; W297-M330 HydrophobicContact CE3-CB 4.37Å; W297-M330 HydrophobicContact CE3-CG 3.45Å; W297-M330 VanDerWaalsContact CE3-CG 3.45Å; W297-M330 HydrophobicContact CE3-SD 3.53Å; W297-M330 VanDerWaalsContact CE3-SD 3.53Å; W297-M330 HydrophobicContact CH2-CG 4.09Å; W297-M330 HydrophobicContact CH2-SD 4.45Å; W297-M330 HydrophobicContact CZ2-CG 4.43Å; W297-M330 HydrophobicContact CZ3-CG 3.59Å; W297-M330 HydrophobicContact CZ3-SD 3.51Å; W297-M330 VanDerWaalsContact CZ3-SD 3.51Å; T318-M330 HydrophobicContact CG2-CE 4.1Å; L326-M330 HydrophobicContact CD1-CE 4.09Å; L326-M330 HydrophobicContact CD1-CG 4.42Å; L326-M330 WeakPolarHBondContact O-CG 3.21Å; L326-M330 PolarHBondContact O-N 3.44Å; G327-M330 PolarHBondContact O-N 3.42Å; G328-M330 VanDerWaalsContact C-N 3.33Å; G328-M330 PolarHBondContact O-N 3.44Å; M330-I332 VanDerWaalsContact C-N 3.28Å; M330-I332 PolarHBondContact O-N 3.12Å; M330-K333 HydrophobicContact CE-CD 3.76Å; M330-K333 PolarHBondContact O-N 2.86Å; M330-K333 HydrophobicContact SD-CD 4.02Å; M330-F334 PolarHBondContact O-N 3.33Å
331	V	94.1	Very high	86	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.7	-42.5	170.7	175.1	0	0	0	0	110.4	F268 G327 G328 F334 V335 F350 F354 L359 L363	F268-V331 HydrophobicContact CD1-CG2 3.55Å; F268-V331 HydrophobicContact CE1-CG2 3.67Å; F268-V331 HydrophobicContact CG-CG2 4.13Å; F268-V331 HydrophobicContact CZ-CG2 4.32Å; G327-V331 PolarHBondContact O-N 3.1Å; G327-V331 VanDerWaalsContact O-N 3.08Å; G328-V331 PolarHBondContact O-N 3.34Å; V331-F334 PolarHBondContact O-N 3.32Å; V331-V335 HydrophobicContact CG1-CG2 4.3Å; V331-V335 WeakPolarHBondContact O-CG2 3.46Å; V331-V335 PolarHBondContact O-N 2.97Å; V331-F350 HydrophobicContact CG1-CD1 4.25Å; V331-F350 HydrophobicContact CG1-CE1 3.99Å; V331-F350 HydrophobicContact CG2-CD1 4.44Å; V331-F354 HydrophobicContact CG2-CB 3.94Å; V331-F354 HydrophobicContact CG2-CD1 4.33Å; V331-F354 HydrophobicContact CG2-CG 4.3Å; V331-L359 HydrophobicContact CB-CD1 4.45Å; V331-L359 HydrophobicContact CB-CD2 4.18Å; V331-L359 HydrophobicContact CG1-CD1 4.39Å; V331-L359 HydrophobicContact CG1-CD2 4.18Å; V331-L359 HydrophobicContact CG2-CD2 4.22Å; V331-L363 HydrophobicContact CG1-CD1 4.24Å; V331-L363 HydrophobicContact CG1-CD2 4.41Å
332	I	93.8	Very high	86.9	Confident	24 Å²	24	41.5 Å²	41.5	12%	0.123	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-44.1	176.3	-64.6	-60.1	0	0	0	111.4	L324 G328 S329 M330 F334 V335 D336 L359 I362 L363 K366	L324-I332 HydrophobicContact CD1-CD1 4.46Å; L324-I332 HydrophobicContact CD1-CG1 3.7Å; G328-I332 WeakPolarHBondContact O-CG1 3.19Å; G328-I332 PolarHBondContact O-N 2.72Å; S329-I332 PolarHBondContact O-N 2.7Å; M330-I332 VanDerWaalsContact C-N 3.28Å; M330-I332 PolarHBondContact O-N 3.12Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.89Å; I332-V335 WeakPolarHBondContact O-CB 3.44Å; I332-V335 PolarHBondContact O-N 3.37Å; I332-V335 VanDerWaalsContact O-N 3.1Å; I332-D336 VanDerWaalsContact O-CG 3.22Å; I332-D336 PolarHBondContact O-N 3.47Å; I332-L359 HydrophobicContact CD1-CD1 3.94Å; I332-L359 HydrophobicContact CG1-CD1 4.12Å; I332-I362 HydrophobicContact CD1-CG2 3.64Å; I332-L363 HydrophobicContact CD1-CD2 3.75Å; I332-L363 HydrophobicContact CD1-CG 4.46Å; I332-K366 HydrophobicContact CD1-CD 4.31Å
333	K	93.2	Very high	88.1	Confident	100 Å²	100	37.6 Å²	37.6	44%	0.435	19%	0.192	S	C	.	.	H	α-helix	trans	-57.6	-43	175	-72.6	-171	177.7	-172.3	0	112.6	W308 S329 M330 D336 A337	W308-K333 HydrophobicContact CH2-CB 4.36Å; W308-K333 HydrophobicContact CZ2-CB 4.14Å; S329-K333 PolarHBondContact O-N 3.49Å; S329-K333 VanDerWaalsContact O-N 3.08Å; M330-K333 HydrophobicContact CE-CD 3.76Å; M330-K333 PolarHBondContact O-N 2.86Å; M330-K333 HydrophobicContact SD-CD 4.02Å; K333-D336 PolarHBondContact O-N 3.39Å; K333-A337 WeakPolarHBondContact O-CB 3.45Å; K333-A337 PolarHBondContact O-N 3.33Å
334	F	95.3	Very high	88.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-40.5	175.4	172	-125.8	0	0	0	112.2	Y266 F268 V307 W308 M330 V331 I332 A337 L338 I348	Y266-F334 HydrophobicContact CD1-CZ 4.19Å; Y266-F334 HydrophobicContact CG-CZ 4.35Å; F268-F334 HydrophobicContact CB-CD1 4.21Å; F268-F334 HydrophobicContact CB-CE1 4.47Å; F268-F334 HydrophobicContact CD2-CB 3.75Å; F268-F334 AromaticContact CD2-CD1 3.59Å; F268-F334 HydrophobicContact CD2-CD1 3.59Å; F268-F334 HydrophobicContact CD2-CE1 4.42Å; F268-F334 AromaticContact CD2-CG 3.81Å; F268-F334 HydrophobicContact CD2-CG 3.81Å; F268-F334 HydrophobicContact CE2-CB 3.74Å; F268-F334 HydrophobicContact CE2-CD1 4.44Å; F268-F334 HydrophobicContact CE2-CG 4.26Å; F268-F334 HydrophobicContact CG-CD1 4.32Å; V307-F334 HydrophobicContact CB-CE2 4.17Å; V307-F334 HydrophobicContact CG1-CE2 4.24Å; W308-F334 HydrophobicContact CB-CD2 3.67Å; W308-F334 HydrophobicContact CB-CE2 4Å; W308-F334 HydrophobicContact CD2-CB 4.4Å; W308-F334 HydrophobicContact CD2-CD2 4.3Å; W308-F334 HydrophobicContact CE3-CB 3.98Å; W308-F334 HydrophobicContact CE3-CD2 4.21Å; W308-F334 HydrophobicContact CE3-CG 4.42Å; W308-F334 HydrophobicContact CG-CD2 4.13Å; W308-F334 HydrophobicContact CZ3-CB 4.28Å; M330-F334 PolarHBondContact O-N 3.33Å; V331-F334 PolarHBondContact O-N 3.32Å; I332-F334 VanDerWaalsContact C-N 3.31Å; I332-F334 PolarHBondContact O-N 2.89Å; F334-A337 WeakPolarHBondContact O-CB 3.42Å; F334-A337 PolarHBondContact O-N 2.92Å; F334-L338 HydrophobicContact CD1-CD1 4.31Å; F334-L338 HydrophobicContact CD2-CG 4.22Å; F334-L338 HydrophobicContact CE1-CD1 3.67Å; F334-L338 HydrophobicContact CE1-CG 4.35Å; F334-L338 HydrophobicContact CE2-CD1 3.91Å; F334-L338 HydrophobicContact CE2-CD2 3.95Å; F334-L338 HydrophobicContact CE2-CG 3.67Å; F334-L338 HydrophobicContact CZ-CD1 3.44Å; F334-L338 VanDerWaalsContact CZ-CD1 3.44Å; F334-L338 HydrophobicContact CZ-CD2 4.04Å; F334-L338 HydrophobicContact CZ-CG 3.76Å; F334-L338 PolarHBondContact O-N 3.46Å; F334-I348 HydrophobicContact CD1-CD1 4.24Å; F334-I348 HydrophobicContact CD1-CG2 4.41Å; F334-I348 HydrophobicContact CE1-CD1 4.2Å; F334-I348 HydrophobicContact CE1-CG2 4.12Å
335	V	95.1	Very high	89.2	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-45.5	175.7	171.8	0	0	0	0	111.1	V331 I332 A337 L338 Q339 I348 L363 K366 V368	V331-V335 HydrophobicContact CG1-CG2 4.3Å; V331-V335 WeakPolarHBondContact O-CG2 3.46Å; V331-V335 PolarHBondContact O-N 2.97Å; I332-V335 WeakPolarHBondContact O-CB 3.44Å; I332-V335 PolarHBondContact O-N 3.37Å; I332-V335 VanDerWaalsContact O-N 3.1Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 2.9Å; V335-L338 WeakPolarHBondContact O-CB 3.37Å; V335-L338 PolarHBondContact O-N 3.23Å; V335-L338 VanDerWaalsContact O-N 3.1Å; V335-Q339 HydrophobicContact CG1-CG 4.26Å; V335-Q339 WeakPolarHBondContact O-CB 3.38Å; V335-Q339 WeakPolarHBondContact O-CG 3.41Å; V335-Q339 PolarHBondContact O-N 2.95Å; V335-I348 HydrophobicContact CB-CD1 4.44Å; V335-I348 HydrophobicContact CG2-CD1 3.29Å; V335-L363 HydrophobicContact CB-CD2 4.4Å; V335-L363 HydrophobicContact CG1-CD2 4.42Å; V335-L363 HydrophobicContact CG2-CD2 3.5Å; V335-K366 HydrophobicContact CG1-CD 4.22Å; V335-V368 HydrophobicContact CG1-CG2 3.76Å
336	D	93.6	Very high	89.7	Confident	64 Å²	64	35 Å²	35	34%	0.342	18%	0.176	S	C	.	.	H	α-helix	trans	-60	-43.9	178.2	-65.4	-23.9	0	0	0	110.1	I332 K333 L338 Q339 E340 K366	I332-D336 VanDerWaalsContact O-CG 3.22Å; I332-D336 PolarHBondContact O-N 3.47Å; K333-D336 PolarHBondContact O-N 3.39Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 2.56Å; D336-Q339 PolarHBondContact O-N 3.43Å; D336-Q339 VanDerWaalsContact O-N 3.11Å; D336-E340 PolarHBondContact O-N 2.86Å; D336-E340 VanDerWaalsContact O-N 3.11Å; D336-K366 IonicContact OD1-NZ 2.84Å; D336-K366 PolarHBondContact OD1-NZ 2.68Å
337	A	92.6	Very high	90.3	Very high	8 Å²	8	33.9 Å²	33.9	7%	0.066	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-34.8	174.2	0	0	0	0	0	113.3	Q257 W308 K333 F334 V335	Q257-A337 PolarHBondContact NE2-O 2.68Å; W308-A337 HydrophobicContact CG-CB 4.3Å; K333-A337 WeakPolarHBondContact O-CB 3.45Å; K333-A337 PolarHBondContact O-N 3.33Å; F334-A337 WeakPolarHBondContact O-CB 3.42Å; F334-A337 PolarHBondContact O-N 2.92Å; V335-A337 VanDerWaalsContact C-N 3.29Å; V335-A337 PolarHBondContact O-N 2.9Å
338	L	92.1	Very high	90.9	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-71.8	-37	172.4	-76.3	178.2	0	0	0	112.2	Y266 V307 F334 V335 D336 E340 R341 Y346 I348	Y266-L338 HydrophobicContact CD1-CD1 4.46Å; Y266-L338 HydrophobicContact CD1-CD2 4.22Å; Y266-L338 HydrophobicContact CD2-CD1 4.11Å; Y266-L338 HydrophobicContact CE1-CD2 3.9Å; Y266-L338 HydrophobicContact CE2-CD1 4.43Å; Y266-L338 HydrophobicContact CE2-CD2 4.43Å; Y266-L338 HydrophobicContact CG-CD1 4.13Å; V307-L338 HydrophobicContact CG1-CD2 3.84Å; F334-L338 HydrophobicContact CD1-CD1 4.31Å; F334-L338 HydrophobicContact CD2-CG 4.22Å; F334-L338 HydrophobicContact CE1-CD1 3.67Å; F334-L338 HydrophobicContact CE1-CG 4.35Å; F334-L338 HydrophobicContact CE2-CD1 3.91Å; F334-L338 HydrophobicContact CE2-CD2 3.95Å; F334-L338 HydrophobicContact CE2-CG 3.67Å; F334-L338 HydrophobicContact CZ-CD1 3.44Å; F334-L338 VanDerWaalsContact CZ-CD1 3.44Å; F334-L338 HydrophobicContact CZ-CD2 4.04Å; F334-L338 HydrophobicContact CZ-CG 3.76Å; F334-L338 PolarHBondContact O-N 3.46Å; V335-L338 WeakPolarHBondContact O-CB 3.37Å; V335-L338 PolarHBondContact O-N 3.23Å; V335-L338 VanDerWaalsContact O-N 3.1Å; D336-L338 VanDerWaalsContact C-N 3.33Å; D336-L338 PolarHBondContact O-N 2.56Å; L338-E340 VanDerWaalsContact C-N 3.28Å; L338-E340 PolarHBondContact O-N 2.8Å; L338-R341 WeakPolarHBondContact O-CB 3.25Å; L338-R341 PolarHBondContact O-N 2.97Å; L338-R341 VanDerWaalsContact O-N 3.15Å; L338-Y346 HydrophobicContact CB-CD2 4.06Å; L338-Y346 HydrophobicContact CB-CE2 3.83Å; L338-Y346 HydrophobicContact CD1-CD2 4.43Å; L338-Y346 WeakPolarHBondContact O-CE2 3.49Å; L338-Y346 PolarHBondContact O-OH 3.16Å; L338-I348 HydrophobicContact CD1-CD1 4.09Å
339	Q	90.9	Very high	91.3	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.075	17%	0.165	C	C	.	.	H	α-helix	trans	-73	-18.9	-177.5	-73.4	-174.7	-36.5	0	0	113.3	V335 D336 R341 G342 F343 K366	V335-Q339 HydrophobicContact CG1-CG 4.26Å; V335-Q339 WeakPolarHBondContact O-CB 3.38Å; V335-Q339 WeakPolarHBondContact O-CG 3.41Å; V335-Q339 PolarHBondContact O-N 2.95Å; D336-Q339 PolarHBondContact O-N 3.43Å; D336-Q339 VanDerWaalsContact O-N 3.11Å; Q339-R341 PolarHBondContact O-N 2.83Å; Q339-G342 CarbonylContact O-C 3.55Å; Q339-G342 WeakPolarHBondContact O-CA 3.19Å; Q339-G342 PolarHBondContact O-N 3.37Å; Q339-F343 HydrophobicContact CB-CD1 4.43Å; Q339-F343 HydrophobicContact CB-CE1 4.28Å; Q339-F343 HydrophobicContact CG-CD1 4.27Å; Q339-F343 HydrophobicContact CG-CE1 4.43Å; Q339-K366 PolarHBondContact NE2-O 2.9Å
340	E	88.7	Confident	91.5	Very high	148 Å²	148	32.9 Å²	32.9	69%	0.692	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.6	166.5	-71.7	171.9	176	0	0	112.5	Q257 D336 L338 G342	Q257-E340 PolarHBondContact NE2-OE2 2.8Å; Q257-E340 VanDerWaalsContact NE2-OE2 3.13Å; D336-E340 PolarHBondContact O-N 2.86Å; D336-E340 VanDerWaalsContact O-N 3.11Å; L338-E340 VanDerWaalsContact C-N 3.28Å; L338-E340 PolarHBondContact O-N 2.8Å; E340-G342 VanDerWaalsContact C-N 3.33Å
341	R	82.2	Confident	91.5	Very high	65 Å²	65	35 Å²	35	25%	0.245	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.1	175.9	-55.6	-177.6	66.1	-160.5	4.4	113.5	Q257 A260 L338 Q339	Q257-R341 PolarHBondContact O-NE 3.2Å; A260-R341 PolarHBondContact O-NH1 3.5Å; A260-R341 PolarHBondContact O-NH2 3.39Å; L338-R341 WeakPolarHBondContact O-CB 3.25Å; L338-R341 PolarHBondContact O-N 2.97Å; L338-R341 VanDerWaalsContact O-N 3.15Å; Q339-R341 PolarHBondContact O-N 2.83Å
342	G	84.6	Confident	91.2	Very high	26 Å²	26	40.5 Å²	40.5	27%	0.268	20%	0.196	S	C	.	.			trans	127.3	151.3	-178.8	0	0	0	0	0	113.3	Q339 E340 L344 Y346	Q339-G342 CarbonylContact O-C 3.55Å; Q339-G342 WeakPolarHBondContact O-CA 3.19Å; Q339-G342 PolarHBondContact O-N 3.37Å; E340-G342 VanDerWaalsContact C-N 3.33Å; G342-L344 PolarHBondContact O-N 3.37Å; G342-Y346 WeakPolarHBondContact O-CE2 3.48Å
343	F	85.1	Confident	90.8	Very high	173 Å²	173	41.8 Å²	41.8	76%	0.759	21%	0.205	S	C	*	.			trans	-79.8	67.9	175.1	-66.6	-85.7	0	0	0	110.9	Q339	Q339-F343 HydrophobicContact CB-CD1 4.43Å; Q339-F343 HydrophobicContact CB-CE1 4.28Å; Q339-F343 HydrophobicContact CG-CD1 4.27Å; Q339-F343 HydrophobicContact CG-CE1 4.43Å
344	L	87.1	Confident	90.6	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.188	19%	0.185	C	C	.	.			trans	-91.4	156.4	178.5	-64.3	172.9	0	0	0	111.1	W124 L262 G342 Y346	W124-L344 HydrophobicContact CD2-CD2 4.25Å; W124-L344 HydrophobicContact CG-CD2 4.47Å; W124-L344 HydrophobicContact CH2-CD1 3.97Å; W124-L344 HydrophobicContact CZ2-CD1 3.69Å; W124-L344 HydrophobicContact CZ2-CD2 4.24Å; L262-L344 HydrophobicContact CD1-CD1 3.79Å; L262-L344 HydrophobicContact CD2-CD1 3.83Å; L262-L344 HydrophobicContact CG-CD1 4.01Å; G342-L344 PolarHBondContact O-N 3.37Å; L344-Y346 HydrophobicContact CB-CD1 4.18Å; L344-Y346 HydrophobicContact CB-CD2 4.49Å; L344-Y346 HydrophobicContact CB-CE1 3.79Å; L344-Y346 HydrophobicContact CB-CE2 4.11Å; L344-Y346 HydrophobicContact CD1-CE1 4.06Å; L344-Y346 WeakPolarHBondContact O-CD2 3.41Å; L344-Y346 PolarHBondContact O-N 3.19Å
345	P	87.4	Confident	90.4	Very high	22 Å²	22	37.1 Å²	37.1	14%	0.143	19%	0.185	C	C	.	.			trans	-76.8	64.5	179.2	34	-36.6	0	0	0	110.3	W124 K369	W124-P345 HydrophobicContact CB-CG 3.53Å; W124-P345 HydrophobicContact CG-CG 4.27Å; P345-K369 WeakPolarHBondContact O-CE 2.97Å; P345-K369 PolarHBondContact O-NZ 3.39Å
346	Y	92.9	Very high	90.3	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	19%	0.189	C	C	.	.			trans	-62.8	147.5	174.5	-58	-54.6	0	0	0	110.7	L262 Y266 L338 G342 L344 K369	L262-Y346 HydrophobicContact CD1-CE1 4.34Å; Y266-Y346 HydrophobicContact CD2-CD1 4.26Å; Y266-Y346 AromaticContact CE2-CD1 3.54Å; Y266-Y346 HydrophobicContact CE2-CD1 3.54Å; Y266-Y346 AromaticContact CE2-CE1 3.99Å; Y266-Y346 HydrophobicContact CE2-CE1 3.99Å; Y266-Y346 HydrophobicContact CE2-CG 4.24Å; L338-Y346 HydrophobicContact CB-CD2 4.06Å; L338-Y346 HydrophobicContact CB-CE2 3.83Å; L338-Y346 HydrophobicContact CD1-CD2 4.43Å; L338-Y346 WeakPolarHBondContact O-CE2 3.49Å; L338-Y346 PolarHBondContact O-OH 3.16Å; G342-Y346 WeakPolarHBondContact O-CE2 3.48Å; L344-Y346 HydrophobicContact CB-CD1 4.18Å; L344-Y346 HydrophobicContact CB-CD2 4.49Å; L344-Y346 HydrophobicContact CB-CE1 3.79Å; L344-Y346 HydrophobicContact CB-CE2 4.11Å; L344-Y346 HydrophobicContact CD1-CE1 4.06Å; L344-Y346 WeakPolarHBondContact O-CD2 3.41Å; L344-Y346 PolarHBondContact O-N 3.19Å; Y346-K369 WeakPolarHBondContact O-CA 3.44Å; Y346-K369 VanDerWaalsContact O-CB 3.3Å; Y346-K369 WeakPolarHBondContact O-CB 3.4Å; Y346-K369 PolarHBondContact O-N 3.45Å
347	H	95.1	Very high	90.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	109.1	174.8	-165.8	168.9	0	0	0	110.7	E264 F265 Y266 F349 K369 T371	E264-H347 HydrophobicContact CG-CB 4.32Å; E264-H347 PolarHBondContact O-N 3.26Å; F265-H347 WeakPolarHBondContact CA-O 3.18Å; F265-H347 HydrophobicContact CD1-CB 3.9Å; F265-H347 HydrophobicContact CE1-CB 4.29Å; F265-H347 AromaticContact CE1-ND1 3.93Å; Y266-H347 PolarHBondContact N-O 2.84Å; H347-F349 HydrophobicContact CB-CE2 4.34Å; H347-F349 AromaticContact CD2-CE2 3.96Å; H347-F349 AromaticContact CD2-CZ 3.66Å; H347-F349 AromaticContact CE1-CE1 3.84Å; H347-F349 AromaticContact CE1-CZ 3.54Å; H347-F349 AromaticContact CG-CE2 3.93Å; H347-F349 AromaticContact CG-CZ 3.7Å; H347-F349 AromaticContact ND1-CZ 3.63Å; H347-F349 AromaticContact NE2-CE1 3.62Å; H347-F349 AromaticContact NE2-CZ 3.56Å; H347-K369 CarbonylContact C-O 3.44Å; H347-K369 VanDerWaalsContact CA-O 3.27Å; H347-K369 WeakPolarHBondContact CA-O 3.41Å; H347-K369 HydrophobicContact CB-CB 3.76Å; H347-T371 PolarHBondContact CE1-OG1 3.1Å; H347-T371 PolarHBondContact NE2-OG1 3.33Å
348	I	96.8	Very high	90.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.2	-175.5	-45.4	-177.8	0	0	0	111.1	Y266 F268 F334 V335 L338 F350 V368 K369 A370 T371	Y266-I348 CarbonylContact O-C 3.59Å; Y266-I348 WeakPolarHBondContact O-CA 3.49Å; F268-I348 HydrophobicContact CB-CG2 4.07Å; F334-I348 HydrophobicContact CD1-CD1 4.24Å; F334-I348 HydrophobicContact CD1-CG2 4.41Å; F334-I348 HydrophobicContact CE1-CD1 4.2Å; F334-I348 HydrophobicContact CE1-CG2 4.12Å; V335-I348 HydrophobicContact CB-CD1 4.44Å; V335-I348 HydrophobicContact CG2-CD1 3.29Å; L338-I348 HydrophobicContact CD1-CD1 4.09Å; I348-F350 HydrophobicContact CB-CD1 4.38Å; I348-F350 HydrophobicContact CB-CE1 4.28Å; I348-F350 HydrophobicContact CG2-CD1 3.84Å; I348-F350 HydrophobicContact CG2-CE1 4.2Å; I348-V368 HydrophobicContact CD1-CG1 3.82Å; I348-V368 HydrophobicContact CG1-CG1 3.92Å; I348-K369 PolarHBondContact N-O 3.49Å; I348-A370 VanDerWaalsContact O-CA 3.24Å; I348-A370 WeakPolarHBondContact O-CA 3.39Å; I348-T371 PolarHBondContact O-N 3.31Å
349	F	97.1	Very high	90.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.2	175.5	-56	-90.4	0	0	0	110.6	F265 Y266 S267 F268 H347 T371 L455 Y456 K459 V460	F265-F349 HydrophobicContact CB-CE2 4.01Å; F265-F349 AromaticContact CD1-CE2 3.66Å; F265-F349 HydrophobicContact CD1-CE2 3.66Å; F265-F349 AromaticContact CD1-CZ 3.9Å; F265-F349 HydrophobicContact CD1-CZ 3.9Å; F265-F349 HydrophobicContact CE1-CZ 4.47Å; F265-F349 HydrophobicContact CG-CE2 4.25Å; Y266-F349 VanDerWaalsContact O-CD2 3.32Å; Y266-F349 WeakPolarHBondContact O-CD2 3.47Å; Y266-F349 PolarHBondContact O-N 3.46Å; S267-F349 CarbonylContact C-O 3.58Å; S267-F349 WeakPolarHBondContact CA-O 3.47Å; F268-F349 PolarHBondContact N-O 3.07Å; H347-F349 HydrophobicContact CB-CE2 4.34Å; H347-F349 AromaticContact CD2-CE2 3.96Å; H347-F349 AromaticContact CD2-CZ 3.66Å; H347-F349 AromaticContact CE1-CE1 3.84Å; H347-F349 AromaticContact CE1-CZ 3.54Å; H347-F349 AromaticContact CG-CE2 3.93Å; H347-F349 AromaticContact CG-CZ 3.7Å; H347-F349 AromaticContact ND1-CZ 3.63Å; H347-F349 AromaticContact NE2-CE1 3.62Å; H347-F349 AromaticContact NE2-CZ 3.56Å; F349-T371 VanDerWaalsContact CA-O 3.26Å; F349-T371 WeakPolarHBondContact CA-O 3.44Å; F349-T371 HydrophobicContact CD1-CG2 4.38Å; F349-T371 HydrophobicContact CE1-CG2 4.41Å; F349-L455 HydrophobicContact CE1-CD2 4.11Å; F349-L455 HydrophobicContact CE1-CG 3.86Å; F349-L455 HydrophobicContact CZ-CD1 4.4Å; F349-L455 HydrophobicContact CZ-CD2 3.87Å; F349-L455 HydrophobicContact CZ-CG 3.74Å; F349-Y456 HydrophobicContact CD1-CD2 4.03Å; F349-K459 HydrophobicContact CD1-CB 4.21Å; F349-K459 HydrophobicContact CD2-CB 3.38Å; F349-K459 HydrophobicContact CD2-CG 4.33Å; F349-K459 HydrophobicContact CE1-CB 4.12Å; F349-K459 HydrophobicContact CE2-CB 3.3Å; F349-K459 HydrophobicContact CE2-CG 3.75Å; F349-K459 HydrophobicContact CG-CB 3.87Å; F349-K459 HydrophobicContact CZ-CB 3.69Å; F349-K459 HydrophobicContact CZ-CG 3.84Å; F349-V460 HydrophobicContact CB-CB 4.15Å; F349-V460 HydrophobicContact CB-CG2 4.28Å
350	F	93.9	Very high	90.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	163.9	177	39.8	-96.6	0	0	0	111.5	F268 V331 I348 F354 T355 L359 M360 L363 A370 T371 G372 Y456	F268-F350 HydrophobicContact CB-CB 4.23Å; F268-F350 WeakPolarHBondContact O-CB 3.23Å; V331-F350 HydrophobicContact CG1-CD1 4.25Å; V331-F350 HydrophobicContact CG1-CE1 3.99Å; V331-F350 HydrophobicContact CG2-CD1 4.44Å; I348-F350 HydrophobicContact CB-CD1 4.38Å; I348-F350 HydrophobicContact CB-CE1 4.28Å; I348-F350 HydrophobicContact CG2-CD1 3.84Å; I348-F350 HydrophobicContact CG2-CE1 4.2Å; F350-F354 HydrophobicContact CB-CB 4.09Å; F350-F354 HydrophobicContact CB-CD2 4.23Å; F350-F354 HydrophobicContact CD2-CB 3.88Å; F350-F354 HydrophobicContact CG-CB 4.19Å; F350-T355 WeakPolarHBondContact CD2-OG1 3.33Å; F350-T355 HydrophobicContact CE2-CG2 4.11Å; F350-T355 WeakPolarHBondContact CE2-OG1 3.44Å; F350-L359 HydrophobicContact CE2-CD2 3.85Å; F350-L359 HydrophobicContact CZ-CD2 3.85Å; F350-L359 HydrophobicContact CZ-CG 4.5Å; F350-M360 HydrophobicContact CE2-CE 3.79Å; F350-M360 HydrophobicContact CZ-CE 3.76Å; F350-M360 HydrophobicContact CZ-SD 4.47Å; F350-L363 HydrophobicContact CE1-CD1 3.94Å; F350-L363 HydrophobicContact CZ-CD1 3.83Å; F350-A370 HydrophobicContact CE1-CB 4Å; F350-A370 HydrophobicContact CZ-CB 3.94Å; F350-T371 PolarHBondContact N-O 3.01Å; F350-G372 WeakPolarHBondContact O-CA 3.49Å; F350-Y456 WeakPolarHBondContact O-CE2 3.29Å; F350-Y456 PolarHBondContact O-OH 3.02Å
351	D	90.6	Very high	90.8	Very high	47 Å²	47	30.6 Å²	30.6	25%	0.251	15%	0.152	S	C	.	.			trans	-83.1	-173.9	-174.6	73.4	19.3	0	0	0	113.7	V353 F354 T355 T373	D351-V353 PolarHBondContact O-N 3.43Å; D351-V353 WeakPolarHBondContact OD1-CA 3.29Å; D351-V353 WeakPolarHBondContact OD1-CB 3.35Å; D351-V353 PolarHBondContact OD1-N 2.89Å; D351-F354 PolarHBondContact O-N 3.33Å; D351-F354 WeakPolarHBondContact OD1-CD2 3.32Å; D351-F354 WeakPolarHBondContact OD1-CE2 3.25Å; D351-F354 PolarHBondContact OD1-N 2.93Å; D351-T355 WeakPolarHBondContact O-CB 3.45Å; D351-T355 PolarHBondContact O-N 2.94Å; D351-T355 VanDerWaalsContact O-N 3.1Å; D351-T355 PolarHBondContact O-OG1 2.86Å; D351-T373 CarbonylContact C-O 3.56Å
352	K	87.1	Confident	91.4	Very high	116 Å²	116	29.6 Å²	29.6	50%	0.504	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.3	179.4	68.5	-179.5	177.9	179.5	0	114.9	T373 R375	K352-T373 WeakPolarHBondContact CA-O 3.49Å; K352-T373 PolarHBondContact N-O 3.45Å; K352-T373 PolarHBondContact N-OG1 3.13Å; K352-R375 HydrophobicContact CB-CG 4.07Å
353	V	84.7	Confident	91.8	Very high	50 Å²	50	28.4 Å²	28.4	30%	0.303	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-33.2	177.7	-175.4	0	0	0	0	110.1	D351 R378	D351-V353 PolarHBondContact O-N 3.43Å; D351-V353 WeakPolarHBondContact OD1-CA 3.29Å; D351-V353 WeakPolarHBondContact OD1-CB 3.35Å; D351-V353 PolarHBondContact OD1-N 2.89Å; V353-R378 PolarHBondContact O-NH1 3.32Å
354	F	89	Confident	92.2	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-26	-178.5	-54.6	-70.1	0	0	0	114.1	F268 E270 V331 F350 D351 L359	F268-F354 HydrophobicContact CD1-CD1 4.19Å; F268-F354 HydrophobicContact CD1-CD2 4.13Å; F268-F354 HydrophobicContact CD1-CE1 4.37Å; F268-F354 HydrophobicContact CD1-CE2 4.33Å; F268-F354 HydrophobicContact CD1-CG 4.08Å; F268-F354 HydrophobicContact CD1-CZ 4.43Å; F268-F354 AromaticContact CE1-CD1 3.69Å; F268-F354 HydrophobicContact CE1-CD1 3.69Å; F268-F354 HydrophobicContact CE1-CD2 4.35Å; F268-F354 AromaticContact CE1-CE1 3.65Å; F268-F354 HydrophobicContact CE1-CE1 3.65Å; F268-F354 HydrophobicContact CE1-CE2 4.32Å; F268-F354 HydrophobicContact CE1-CG 4.06Å; F268-F354 AromaticContact CE1-CZ 3.97Å; F268-F354 HydrophobicContact CE1-CZ 3.97Å; E270-F354 HydrophobicContact CG-CE2 3.87Å; E270-F354 HydrophobicContact CG-CZ 3.45Å; E270-F354 VanDerWaalsContact CG-CZ 3.45Å; E270-F354 VanDerWaalsContact OE1-CZ 3.3Å; E270-F354 WeakPolarHBondContact OE1-CZ 3.48Å; V331-F354 HydrophobicContact CG2-CB 3.94Å; V331-F354 HydrophobicContact CG2-CD1 4.33Å; V331-F354 HydrophobicContact CG2-CG 4.3Å; F350-F354 HydrophobicContact CB-CB 4.09Å; F350-F354 HydrophobicContact CB-CD2 4.23Å; F350-F354 HydrophobicContact CD2-CB 3.88Å; F350-F354 HydrophobicContact CG-CB 4.19Å; D351-F354 PolarHBondContact O-N 3.33Å; D351-F354 WeakPolarHBondContact OD1-CD2 3.32Å; D351-F354 WeakPolarHBondContact OD1-CE2 3.25Å; D351-F354 PolarHBondContact OD1-N 2.93Å; F354-L359 VanDerWaalsContact O-CD2 3.29Å; F354-L359 WeakPolarHBondContact O-CD2 3.44Å
355	T	92.1	Very high	92.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.			trans	-76.8	133.3	-169.5	-54.1	0	0	0	0	113.9	F350 D351 M360 G372 T373 V374 R378 C422	F350-T355 WeakPolarHBondContact CD2-OG1 3.33Å; F350-T355 HydrophobicContact CE2-CG2 4.11Å; F350-T355 WeakPolarHBondContact CE2-OG1 3.44Å; D351-T355 WeakPolarHBondContact O-CB 3.45Å; D351-T355 PolarHBondContact O-N 2.94Å; D351-T355 VanDerWaalsContact O-N 3.1Å; D351-T355 PolarHBondContact O-OG1 2.86Å; T355-M360 HydrophobicContact CG2-CE 3.74Å; T355-G372 WeakPolarHBondContact OG1-CA 3.48Å; T355-T373 WeakPolarHBondContact CB-O 3.24Å; T355-T373 PolarHBondContact OG1-O 3.28Å; T355-V374 HydrophobicContact CG2-CB 3.7Å; T355-V374 HydrophobicContact CG2-CG2 3.92Å; T355-R378 WeakPolarHBondContact O-CD 3.38Å; T355-C422 HydrophobicContact CG2-CB 4.02Å
356	S	93.3	Very high	92.6	Very high	14 Å²	14	31 Å²	31	10%	0.098	14%	0.144	C	C	.	.			trans	-148.2	154.9	164.1	66.6	0	0	0	0	111.2	K358 L359 M360	S356-K358 PolarHBondContact O-N 2.96Å; S356-L359 PolarHBondContact O-N 3.3Å; S356-L359 WeakPolarHBondContact OG-CB 3.48Å; S356-L359 PolarHBondContact OG-N 2.79Å; S356-L359 VanDerWaalsContact OG-N 3.08Å; S356-M360 WeakPolarHBondContact O-CG 3.24Å; S356-M360 PolarHBondContact O-N 2.86Å; S356-M360 VanDerWaalsContact O-N 3.11Å
357	V	93.5	Very high	92.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.5	-34.8	173.9	168.5	0	0	0	0	111.3	W112 M360 S361 R378 E380 I408 V410	W112-V357 HydrophobicContact CH2-CG1 4.47Å; W112-V357 HydrophobicContact CH2-CG2 4.42Å; V357-M360 WeakPolarHBondContact O-CB 3.1Å; V357-M360 PolarHBondContact O-N 3.16Å; V357-S361 PolarHBondContact O-N 3.23Å; V357-S361 VanDerWaalsContact O-N 3.11Å; V357-R378 PolarHBondContact N-O 3.4Å; V357-R378 VanDerWaalsContact N-O 3.1Å; V357-E380 HydrophobicContact CB-CB 4.39Å; V357-E380 HydrophobicContact CB-CG 3.88Å; V357-E380 HydrophobicContact CG1-CB 4.31Å; V357-E380 HydrophobicContact CG1-CG 3.99Å; V357-I408 HydrophobicContact CG1-CD1 4.39Å; V357-I408 HydrophobicContact CG1-CG2 4.46Å; V357-V410 HydrophobicContact CG2-CG2 3.94Å
358	K	92.4	Very high	92.5	Very high	81 Å²	81	32.6 Å²	32.6	35%	0.352	16%	0.16	S	C	.	.	H	α-helix	trans	-62	-44.4	175.4	-170.3	175.2	-172.7	179.5	0	112.4	S323 L324 S356 M360 S361 I362	S323-K358 WeakPolarHBondContact O-CD 3.47Å; S323-K358 WeakPolarHBondContact O-CE 3.29Å; S323-K358 PolarHBondContact O-NZ 3.11Å; L324-K358 HydrophobicContact CD2-CD 4.48Å; L324-K358 HydrophobicContact CD2-CG 4.32Å; S356-K358 PolarHBondContact O-N 2.96Å; K358-M360 VanDerWaalsContact C-N 3.34Å; K358-S361 PolarHBondContact O-N 2.91Å; K358-I362 HydrophobicContact CG-CD1 4.45Å; K358-I362 WeakPolarHBondContact O-CG1 3.45Å; K358-I362 PolarHBondContact O-N 3Å
359	L	93.8	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-42.9	175.3	178.2	62.8	0	0	0	111.2	L324 V331 I332 F350 F354 S356 S361 I362 L363	L324-L359 HydrophobicContact CD1-CD1 3.99Å; L324-L359 HydrophobicContact CD2-CB 4.2Å; L324-L359 HydrophobicContact CD2-CD1 4.46Å; V331-L359 HydrophobicContact CB-CD1 4.45Å; V331-L359 HydrophobicContact CB-CD2 4.18Å; V331-L359 HydrophobicContact CG1-CD1 4.39Å; V331-L359 HydrophobicContact CG1-CD2 4.18Å; V331-L359 HydrophobicContact CG2-CD2 4.22Å; I332-L359 HydrophobicContact CD1-CD1 3.94Å; I332-L359 HydrophobicContact CG1-CD1 4.12Å; F350-L359 HydrophobicContact CE2-CD2 3.85Å; F350-L359 HydrophobicContact CZ-CD2 3.85Å; F350-L359 HydrophobicContact CZ-CG 4.5Å; F354-L359 VanDerWaalsContact O-CD2 3.29Å; F354-L359 WeakPolarHBondContact O-CD2 3.44Å; S356-L359 PolarHBondContact O-N 3.3Å; S356-L359 WeakPolarHBondContact OG-CB 3.48Å; S356-L359 PolarHBondContact OG-N 2.79Å; S356-L359 VanDerWaalsContact OG-N 3.08Å; L359-S361 VanDerWaalsContact C-N 3.32Å; L359-S361 PolarHBondContact O-N 3Å; L359-I362 PolarHBondContact O-N 3.5Å; L359-I362 VanDerWaalsContact O-N 3.09Å; L359-L363 HydrophobicContact CD1-CD1 4.14Å; L359-L363 HydrophobicContact CD1-CD2 4.5Å; L359-L363 HydrophobicContact CD1-CG 4.07Å; L359-L363 HydrophobicContact CD2-CD1 4.46Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CG 3.36Å; L359-L363 PolarHBondContact O-N 3.27Å
360	M	94.9	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-41.1	177.7	-67.1	-70.1	175.6	0	0	112.7	F350 T355 S356 V357 K358 R364 A370 I408 C422 N424	F350-M360 HydrophobicContact CE2-CE 3.79Å; F350-M360 HydrophobicContact CZ-CE 3.76Å; F350-M360 HydrophobicContact CZ-SD 4.47Å; T355-M360 HydrophobicContact CG2-CE 3.74Å; S356-M360 WeakPolarHBondContact O-CG 3.24Å; S356-M360 PolarHBondContact O-N 2.86Å; S356-M360 VanDerWaalsContact O-N 3.11Å; V357-M360 WeakPolarHBondContact O-CB 3.1Å; V357-M360 PolarHBondContact O-N 3.16Å; K358-M360 VanDerWaalsContact C-N 3.34Å; M360-R364 WeakPolarHBondContact O-CB 3.4Å; M360-R364 PolarHBondContact O-N 2.91Å; M360-A370 HydrophobicContact CE-CB 4.1Å; M360-A370 HydrophobicContact SD-CB 3.48Å; M360-A370 WeakPolarHBondContact SD-CB 3.42Å; M360-I408 HydrophobicContact CB-CD1 3.91Å; M360-I408 HydrophobicContact CB-CG1 4.3Å; M360-I408 HydrophobicContact CB-CG2 4.14Å; M360-C422 HydrophobicContact CE-CB 4.3Å; M360-C422 WeakPolarHBondContact CE-O 3.47Å; M360-N424 HydrophobicContact CB-CB 4.42Å; M360-N424 PolarHBondContact O-ND2 3.39Å
361	S	93.7	Very high	92.6	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-61.2	-43.2	173.1	-78.6	0	0	0	0	112.4	R110 V357 K358 L359 R364 K365 E406 I408	R110-S361 PolarHBondContact NH1-OG 2.87Å; R110-S361 PolarHBondContact NH2-OG 3.08Å; V357-S361 PolarHBondContact O-N 3.23Å; V357-S361 VanDerWaalsContact O-N 3.11Å; K358-S361 PolarHBondContact O-N 2.91Å; L359-S361 VanDerWaalsContact C-N 3.32Å; L359-S361 PolarHBondContact O-N 3Å; S361-R364 PolarHBondContact O-N 2.83Å; S361-K365 WeakPolarHBondContact O-CG 3.25Å; S361-K365 PolarHBondContact O-N 2.87Å; S361-K365 VanDerWaalsContact O-N 3.1Å; S361-E406 PolarHBondContact OG-OE2 3.2Å; S361-I408 WeakPolarHBondContact OG-CD1 3.34Å
362	I	93.4	Very high	92.9	Very high	44 Å²	44	31.1 Å²	31.1	23%	0.226	15%	0.152	C	C	.	.	H	α-helix	trans	-67.3	-44.4	-179.7	-65.9	167.4	0	0	0	110.6	L324 I332 K358 L359 R364 K365 K366	L324-I362 HydrophobicContact CD1-CD1 3.69Å; L324-I362 HydrophobicContact CD2-CD1 3.88Å; L324-I362 HydrophobicContact CG-CD1 3.74Å; I332-I362 HydrophobicContact CD1-CG2 3.64Å; K358-I362 HydrophobicContact CG-CD1 4.45Å; K358-I362 WeakPolarHBondContact O-CG1 3.45Å; K358-I362 PolarHBondContact O-N 3Å; L359-I362 PolarHBondContact O-N 3.5Å; L359-I362 VanDerWaalsContact O-N 3.09Å; I362-R364 VanDerWaalsContact C-N 3.32Å; I362-R364 PolarHBondContact O-N 3.46Å; I362-K365 PolarHBondContact O-N 2.92Å; I362-K366 PolarHBondContact O-N 3.41Å; I362-K366 VanDerWaalsContact O-N 3.07Å
363	L	94.2	Very high	93.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-40	177.4	-67.2	175.6	0	0	0	111.6	V331 I332 V335 F350 L359 K365 K366 G367 V368 A370	V331-L363 HydrophobicContact CG1-CD1 4.24Å; V331-L363 HydrophobicContact CG1-CD2 4.41Å; I332-L363 HydrophobicContact CD1-CD2 3.75Å; I332-L363 HydrophobicContact CD1-CG 4.46Å; V335-L363 HydrophobicContact CB-CD2 4.4Å; V335-L363 HydrophobicContact CG1-CD2 4.42Å; V335-L363 HydrophobicContact CG2-CD2 3.5Å; F350-L363 HydrophobicContact CE1-CD1 3.94Å; F350-L363 HydrophobicContact CZ-CD1 3.83Å; L359-L363 HydrophobicContact CD1-CD1 4.14Å; L359-L363 HydrophobicContact CD1-CD2 4.5Å; L359-L363 HydrophobicContact CD1-CG 4.07Å; L359-L363 HydrophobicContact CD2-CD1 4.46Å; L359-L363 HydrophobicContact CG-CD1 3.88Å; L359-L363 HydrophobicContact CG-CG 4.25Å; L359-L363 WeakPolarHBondContact O-CG 3.36Å; L359-L363 PolarHBondContact O-N 3.27Å; L363-K365 VanDerWaalsContact C-N 3.35Å; L363-K365 PolarHBondContact O-N 3.43Å; L363-K366 CarbonylContact O-C 3.53Å; L363-K366 WeakPolarHBondContact O-CA 3.47Å; L363-K366 WeakPolarHBondContact O-CB 3.5Å; L363-K366 PolarHBondContact O-N 2.78Å; L363-K366 VanDerWaalsContact O-N 3.1Å; L363-G367 PolarHBondContact O-N 2.73Å; L363-V368 CarbonylContact C-O 3.5Å; L363-V368 HydrophobicContact CB-CB 4.45Å; L363-V368 PolarHBondContact O-N 3.18Å; L363-A370 HydrophobicContact CB-CB 4.44Å; L363-A370 HydrophobicContact CD1-CB 3.52Å
364	R	92.3	Very high	93.7	Very high	70 Å²	70	24.5 Å²	24.5	26%	0.264	12%	0.121	S	C	.	.	H	α-helix	trans	-60.7	-44.1	174.8	-170.4	175.6	-172.4	-97.2	-0.5	111.7	F121 M360 S361 I362 K366 G367 E406 N424	F121-R364 HydrophobicContact CZ-CG 4.16Å; M360-R364 WeakPolarHBondContact O-CB 3.4Å; M360-R364 PolarHBondContact O-N 2.91Å; S361-R364 PolarHBondContact O-N 2.83Å; I362-R364 VanDerWaalsContact C-N 3.32Å; I362-R364 PolarHBondContact O-N 3.46Å; R364-K366 PolarHBondContact O-N 2.84Å; R364-G367 PolarHBondContact O-N 3.45Å; R364-E406 WeakPolarHBondContact CD-O 3.12Å; R364-E406 PolarHBondContact NE-O 3.14Å; R364-E406 VanDerWaalsContact NE-O 3.11Å; R364-N424 HydrophobicContact CB-CB 4.34Å; R364-N424 PolarHBondContact N-ND2 3.35Å
365	K	91.8	Very high	93.7	Very high	149 Å²	149	27.6 Å²	27.6	65%	0.648	13%	0.133	S	C	*	.	H	α-helix	trans	-63.7	-26.3	176.2	-71.4	172.6	-172.2	179.7	0	112.9	S361 I362 L363 G367 E406	S361-K365 WeakPolarHBondContact O-CG 3.25Å; S361-K365 PolarHBondContact O-N 2.87Å; S361-K365 VanDerWaalsContact O-N 3.1Å; I362-K365 PolarHBondContact O-N 2.92Å; L363-K365 VanDerWaalsContact C-N 3.35Å; L363-K365 PolarHBondContact O-N 3.43Å; K365-G367 VanDerWaalsContact C-N 3.29Å; K365-E406 VanDerWaalsContact CE-OE1 3.27Å; K365-E406 WeakPolarHBondContact CE-OE1 3.25Å; K365-E406 VanDerWaalsContact CE-OE2 3.23Å; K365-E406 WeakPolarHBondContact CE-OE2 3.2Å; K365-E406 IonicContact NZ-OE1 2.59Å; K365-E406 PolarHBondContact NZ-OE1 3.01Å; K365-E406 IonicContact NZ-OE2 3.61Å
366	K	91.8	Very high	93.6	Very high	68 Å²	68	31.5 Å²	31.5	30%	0.296	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	0.7	171.2	-76.9	-179.1	162.7	-83.6	0	114	I332 V335 D336 Q339 I362 L363 R364 V368	I332-K366 HydrophobicContact CD1-CD 4.31Å; V335-K366 HydrophobicContact CG1-CD 4.22Å; D336-K366 IonicContact OD1-NZ 2.84Å; D336-K366 PolarHBondContact OD1-NZ 2.68Å; Q339-K366 PolarHBondContact NE2-O 2.9Å; I362-K366 PolarHBondContact O-N 3.41Å; I362-K366 VanDerWaalsContact O-N 3.07Å; L363-K366 CarbonylContact O-C 3.53Å; L363-K366 WeakPolarHBondContact O-CA 3.47Å; L363-K366 WeakPolarHBondContact O-CB 3.5Å; L363-K366 PolarHBondContact O-N 2.78Å; L363-K366 VanDerWaalsContact O-N 3.1Å; R364-K366 PolarHBondContact O-N 2.84Å; K366-V368 VanDerWaalsContact C-N 3.29Å; K366-V368 HydrophobicContact CB-CG2 4.35Å; K366-V368 PolarHBondContact O-N 2.89Å
367	G	91.8	Very high	93.3	Very high	35 Å²	35	38 Å²	38	36%	0.361	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	16.4	-176.2	0	0	0	0	0	114.2	L363 R364 K365	L363-G367 PolarHBondContact O-N 2.73Å; R364-G367 PolarHBondContact O-N 3.45Å; K365-G367 VanDerWaalsContact C-N 3.29Å
368	V	94.1	Very high	93.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.183	C	C	.	.			trans	-105.3	128.5	-175.8	179	0	0	0	0	111	V335 I348 L363 K366 N424	V335-V368 HydrophobicContact CG1-CG2 3.76Å; I348-V368 HydrophobicContact CD1-CG1 3.82Å; I348-V368 HydrophobicContact CG1-CG1 3.92Å; L363-V368 CarbonylContact C-O 3.5Å; L363-V368 HydrophobicContact CB-CB 4.45Å; L363-V368 PolarHBondContact O-N 3.18Å; K366-V368 VanDerWaalsContact C-N 3.29Å; K366-V368 HydrophobicContact CB-CG2 4.35Å; K366-V368 PolarHBondContact O-N 2.89Å; V368-N424 PolarHBondContact O-ND2 3.42Å
369	K	95.6	Very high	92.9	Very high	17 Å²	17	36.5 Å²	36.5	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	143.7	172.5	-65	175.2	-74.7	-170.7	0	109.6	F121 E264 P345 Y346 H347 I348 N424 A425	F121-K369 HydrophobicContact CB-CD 4.01Å; F121-K369 HydrophobicContact CB-CG 4.25Å; F121-K369 HydrophobicContact CD1-CD 4.29Å; F121-K369 HydrophobicContact CD1-CG 3.61Å; F121-K369 HydrophobicContact CD2-CD 4.09Å; F121-K369 HydrophobicContact CD2-CG 3.68Å; F121-K369 HydrophobicContact CE1-CG 3.74Å; F121-K369 HydrophobicContact CE2-CG 3.83Å; F121-K369 HydrophobicContact CG-CD 3.87Å; F121-K369 HydrophobicContact CG-CG 3.56Å; F121-K369 HydrophobicContact CZ-CG 3.85Å; E264-K369 IonicContact OE1-NZ 3.63Å; E264-K369 PolarHBondContact OE1-NZ 3.27Å; P345-K369 WeakPolarHBondContact O-CE 2.97Å; P345-K369 PolarHBondContact O-NZ 3.39Å; Y346-K369 WeakPolarHBondContact O-CA 3.44Å; Y346-K369 VanDerWaalsContact O-CB 3.3Å; Y346-K369 WeakPolarHBondContact O-CB 3.4Å; Y346-K369 PolarHBondContact O-N 3.45Å; H347-K369 CarbonylContact C-O 3.44Å; H347-K369 VanDerWaalsContact CA-O 3.27Å; H347-K369 WeakPolarHBondContact CA-O 3.41Å; H347-K369 HydrophobicContact CB-CB 3.76Å; I348-K369 PolarHBondContact N-O 3.49Å; K369-N424 WeakPolarHBondContact CA-OD1 3.38Å; K369-A425 HydrophobicContact CB-CB 3.48Å; K369-A425 VanDerWaalsContact CB-CB 3.48Å; K369-A425 HydrophobicContact CD-CB 3.94Å; K369-A425 HydrophobicContact CG-CB 3.51Å
370	A	96.6	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	144.4	-179.4	0	0	0	0	0	112.1	I348 F350 M360 L363 S423 N424	I348-A370 VanDerWaalsContact O-CA 3.24Å; I348-A370 WeakPolarHBondContact O-CA 3.39Å; F350-A370 HydrophobicContact CE1-CB 4Å; F350-A370 HydrophobicContact CZ-CB 3.94Å; M360-A370 HydrophobicContact CE-CB 4.1Å; M360-A370 HydrophobicContact SD-CB 3.48Å; M360-A370 WeakPolarHBondContact SD-CB 3.42Å; L363-A370 HydrophobicContact CB-CB 4.44Å; L363-A370 HydrophobicContact CD1-CB 3.52Å; A370-S423 VanDerWaalsContact O-CA 3.27Å; A370-S423 WeakPolarHBondContact O-CA 3.44Å; A370-S423 PolarHBondContact O-OG 2.81Å; A370-N424 PolarHBondContact N-OD1 2.9Å; A370-N424 PolarHBondContact O-N 3.33Å; A370-N424 VanDerWaalsContact O-N 3.15Å; A370-N424 PolarHBondContact O-OD1 3.03Å
371	T	97.4	Very high	92.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	129	174	-56.7	0	0	0	0	109.7	H347 I348 F349 F350 I421 C422 S423 Y456	H347-T371 PolarHBondContact CE1-OG1 3.1Å; H347-T371 PolarHBondContact NE2-OG1 3.33Å; I348-T371 PolarHBondContact O-N 3.31Å; F349-T371 VanDerWaalsContact CA-O 3.26Å; F349-T371 WeakPolarHBondContact CA-O 3.44Å; F349-T371 HydrophobicContact CD1-CG2 4.38Å; F349-T371 HydrophobicContact CE1-CG2 4.41Å; F350-T371 PolarHBondContact N-O 3.01Å; T371-I421 HydrophobicContact CG2-CG2 3.81Å; T371-C422 WeakPolarHBondContact CA-O 3.18Å; T371-S423 PolarHBondContact OG1-OG 2.89Å; T371-Y456 HydrophobicContact CG2-CD2 4.07Å; T371-Y456 HydrophobicContact CG2-CG 4.49Å
372	G	96.5	Very high	92	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	151.7	178.9	0	0	0	0	0	112.9	F350 T355 I421 C422	F350-G372 WeakPolarHBondContact O-CA 3.49Å; T355-G372 WeakPolarHBondContact OG1-CA 3.48Å; G372-I421 WeakPolarHBondContact O-CA 3.11Å; G372-C422 PolarHBondContact N-O 3.45Å; G372-C422 PolarHBondContact O-N 3.18Å
373	T	95	Very high	91.9	Very high	21 Å²	21	52.9 Å²	52.9	13%	0.129	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.3	167.1	52.3	0	0	0	0	108.8	D351 K352 T355 V419 N420 I421 Y456	D351-T373 CarbonylContact C-O 3.56Å; K352-T373 WeakPolarHBondContact CA-O 3.49Å; K352-T373 PolarHBondContact N-O 3.45Å; K352-T373 PolarHBondContact N-OG1 3.13Å; T355-T373 WeakPolarHBondContact CB-O 3.24Å; T355-T373 PolarHBondContact OG1-O 3.28Å; T373-V419 HydrophobicContact CG2-CG1 3.83Å; T373-N420 CarbonylContact C-O 3.56Å; T373-N420 VanDerWaalsContact CA-O 3.26Å; T373-N420 WeakPolarHBondContact CA-O 3.33Å; T373-I421 HydrophobicContact CG2-CG1 4.06Å; T373-Y456 HydrophobicContact CG2-CD1 4.28Å; T373-Y456 HydrophobicContact CG2-CE1 3.51Å; T373-Y456 HydrophobicContact CG2-CE2 4.47Å; T373-Y456 PolarHBondContact OG1-OH 3.33Å
374	V	94.1	Very high	91.8	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	24%	0.243	C	C	.	.			trans	-124.2	143.7	-174.3	67	0	0	0	0	111.4	T355 R378 T379 V410 N420 C422	T355-V374 HydrophobicContact CG2-CB 3.7Å; T355-V374 HydrophobicContact CG2-CG2 3.92Å; V374-R378 HydrophobicContact CG2-CB 3.9Å; V374-T379 HydrophobicContact CG1-CG2 3.83Å; V374-T379 HydrophobicContact CG2-CG2 4.26Å; V374-V410 HydrophobicContact CG1-CG1 4.24Å; V374-N420 HydrophobicContact CG1-CB 3.64Å; V374-N420 PolarHBondContact N-O 3.46Å; V374-N420 WeakPolarHBondContact O-CB 3.44Å; V374-C422 HydrophobicContact CB-CB 3.95Å; V374-C422 HydrophobicContact CG1-CB 3.85Å; V374-C422 HydrophobicContact CG2-CB 4.5Å
375	R	90.2	Very high	91.7	Very high	67 Å²	67	54.9 Å²	54.9	25%	0.253	25%	0.25	S	C	.	.			trans	-78.5	148.2	171.2	-63.2	-175.8	180	-173.1	-3.2	110.3	K352 Y377 R378	K352-R375 HydrophobicContact CB-CG 4.07Å; R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 HydrophobicContact CB-CD1 3.94Å; R375-Y377 HydrophobicContact CB-CE1 3.57Å; R375-Y377 VanDerWaalsContact CD-CE1 3.45Å; R375-Y377 WeakPolarHBondContact CD-OH 3.07Å; R375-Y377 HydrophobicContact CG-CE1 4.16Å; R375-Y377 PolarHBondContact NH1-OH 3.05Å; R375-Y377 PolarHBondContact O-N 2.81Å; R375-R378 HydrophobicContact CB-CG 4.5Å; R375-R378 WeakPolarHBondContact O-CA 3.36Å; R375-R378 WeakPolarHBondContact O-CB 3.41Å; R375-R378 PolarHBondContact O-N 3.01Å
376	E	88.9	Confident	91.7	Very high	82 Å²	82	51.3 Å²	51.3	38%	0.383	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-51.6	-49.6	-175	-169	64.7	-171	0	0	113.5	R378 T379 R412 N420	E376-R378 PolarHBondContact O-N 2.79Å; E376-T379 WeakPolarHBondContact O-CB 3.49Å; E376-T379 WeakPolarHBondContact O-CG2 3.33Å; E376-T379 PolarHBondContact O-N 2.91Å; E376-T379 VanDerWaalsContact O-N 3.11Å; E376-T379 PolarHBondContact O-OG1 3.44Å; E376-R412 IonicContact OE1-CZ 3.96Å; E376-R412 IonicContact OE1-NH1 3.26Å; E376-R412 IonicContact OE1-NH2 3Å; E376-R412 PolarHBondContact OE1-NH2 3.12Å; E376-R412 IonicContact OE2-CZ 3.05Å; E376-R412 IonicContact OE2-NH2 3.96Å; E376-R412 PolarHBondContact OE2-NH2 3.44Å; E376-N420 PolarHBondContact OE2-ND2 3.11Å
377	Y	88.2	Confident	91.5	Very high	151 Å²	151	50.2 Å²	50.2	59%	0.592	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-66.9	-10.4	-178.7	66.6	-94	0	0	0	113.9	R375	R375-Y377 VanDerWaalsContact C-N 3.34Å; R375-Y377 HydrophobicContact CB-CD1 3.94Å; R375-Y377 HydrophobicContact CB-CE1 3.57Å; R375-Y377 VanDerWaalsContact CD-CE1 3.45Å; R375-Y377 WeakPolarHBondContact CD-OH 3.07Å; R375-Y377 HydrophobicContact CG-CE1 4.16Å; R375-Y377 PolarHBondContact NH1-OH 3.05Å; R375-Y377 PolarHBondContact O-N 2.81Å
378	R	87.8	Confident	91.4	Very high	48 Å²	48	54.4 Å²	54.4	18%	0.181	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-101.6	8.5	177.7	-61.9	-169.1	167.8	173.6	-4.6	113.6	D325 V353 T355 V357 V374 R375 E376 E380	D325-R378 IonicContact OD2-CZ 2.89Å; D325-R378 IonicContact OD2-NE 2.77Å; D325-R378 IonicContact OD2-NH1 3.94Å; D325-R378 IonicContact OD2-NH2 2.83Å; D325-R378 PolarHBondContact OD2-NH2 2.68Å; V353-R378 PolarHBondContact O-NH1 3.32Å; T355-R378 WeakPolarHBondContact O-CD 3.38Å; V357-R378 PolarHBondContact N-O 3.4Å; V357-R378 VanDerWaalsContact N-O 3.1Å; V374-R378 HydrophobicContact CG2-CB 3.9Å; R375-R378 HydrophobicContact CB-CG 4.5Å; R375-R378 WeakPolarHBondContact O-CA 3.36Å; R375-R378 WeakPolarHBondContact O-CB 3.41Å; R375-R378 PolarHBondContact O-N 3.01Å; E376-R378 PolarHBondContact O-N 2.79Å; R378-E380 VanDerWaalsContact C-N 3.34Å
379	T	87.9	Confident	91.2	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	27%	0.271	C	S	.	.	S	Bend	trans	-87.4	2.9	177.7	65.5	0	0	0	0	113.9	W112 V374 E376 R381 C382 V410	W112-T379 WeakPolarHBondContact CZ2-O 3.46Å; V374-T379 HydrophobicContact CG1-CG2 3.83Å; V374-T379 HydrophobicContact CG2-CG2 4.26Å; E376-T379 WeakPolarHBondContact O-CB 3.49Å; E376-T379 WeakPolarHBondContact O-CG2 3.33Å; E376-T379 PolarHBondContact O-N 2.91Å; E376-T379 VanDerWaalsContact O-N 3.11Å; E376-T379 PolarHBondContact O-OG1 3.44Å; T379-R381 PolarHBondContact O-N 2.72Å; T379-C382 PolarHBondContact O-N 3.09Å; T379-V410 HydrophobicContact CG2-CG1 3.97Å
380	E	87.7	Confident	90.9	Very high	79 Å²	79	59 Å²	59	37%	0.369	27%	0.267	S	S	.	.	S	Bend	trans	54.6	40.2	-175.4	-63.1	-75.3	177.7	0	0	112.4	V357 R378 C382	V357-E380 HydrophobicContact CB-CB 4.39Å; V357-E380 HydrophobicContact CB-CG 3.88Å; V357-E380 HydrophobicContact CG1-CB 4.31Å; V357-E380 HydrophobicContact CG1-CG 3.99Å; R378-E380 VanDerWaalsContact C-N 3.34Å; E380-C382 PolarHBondContact O-N 3.05Å
381	R	86.6	Confident	90.5	Very high	238 Å²	238	65.1 Å²	65.1	90%	0.898	29%	0.294	S	S	*	.	S	Bend	trans	58.8	41.8	179.3	-54.4	-178.5	-178	-161.6	-2.2	113.4	T379	T379-R381 PolarHBondContact O-N 2.72Å
382	C	89.3	Confident	90.2	Very high	7 Å²	7	73.9 Å²	73.9	5%	0.047	33%	0.332	C	S	.	.			trans	-57.8	125	171.9	-173.4	0	0	0	0	110.5	W112 T379 E380 L384 V410	W112-C382 HydrophobicContact CD2-CB 4.21Å; W112-C382 HydrophobicContact CE3-CB 4.39Å; W112-C382 HydrophobicContact CH2-CB 3.98Å; W112-C382 HydrophobicContact CZ2-CB 3.75Å; W112-C382 HydrophobicContact CZ3-CB 4.28Å; T379-C382 PolarHBondContact O-N 3.09Å; E380-C382 PolarHBondContact O-N 3.05Å; C382-L384 VanDerWaalsContact C-N 3.3Å; C382-L384 HydrophobicContact CB-CD1 4.45Å; C382-L384 HydrophobicContact CB-CG 4.44Å; C382-L384 PolarHBondContact O-N 3.09Å; C382-V410 HydrophobicContact CB-CB 4.43Å; C382-V410 HydrophobicContact CB-CG2 4.38Å
383	P	92.1	Very high	89.9	Confident	70 Å²	70	77.6 Å²	77.6	46%	0.455	35%	0.351	S	S	.	.			trans	-79.8	75.8	-174.2	32.5	-35.3	0	0	0	111.4	W112 K401	W112-P383 HydrophobicContact CB-CG 3.81Å; W112-P383 VanDerWaalsContact CD1-CD 3.47Å; W112-P383 VanDerWaalsContact CG-CD 3.44Å; W112-P383 HydrophobicContact CG-CG 4.19Å; P383-K401 HydrophobicContact CG-CG 4.36Å; P383-K401 WeakPolarHBondContact O-CE 3.35Å
384	L	91.9	Very high	89.6	Confident	22 Å²	22	83.4 Å²	83.4	12%	0.115	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-94.7	152.8	176.5	-63.8	167.6	0	0	0	111.2	C382 D399 K401 V410 R412	C382-L384 VanDerWaalsContact C-N 3.3Å; C382-L384 HydrophobicContact CB-CD1 4.45Å; C382-L384 HydrophobicContact CB-CG 4.44Å; C382-L384 PolarHBondContact O-N 3.09Å; L384-D399 WeakPolarHBondContact CA-OD2 3.21Å; L384-K401 HydrophobicContact CD2-CG 4.02Å; L384-V410 HydrophobicContact CD1-CB 4.34Å; L384-V410 HydrophobicContact CD1-CG1 3.7Å; L384-R412 HydrophobicContact CD1-CB 4.27Å
385	K	91.6	Very high	89.4	Confident	91 Å²	91	86.4 Å²	86.4	40%	0.396	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-50.6	138.9	170.8	-77.4	-172.9	178.7	-166.8	0	112	D399 R412	K385-D399 HydrophobicContact CB-CB 4.07Å; K385-D399 HydrophobicContact CD-CB 4.18Å; K385-D399 HydrophobicContact CG-CB 4.08Å; K385-D399 WeakPolarHBondContact CG-OD2 3.44Å; K385-D399 PolarHBondContact N-OD2 3.03Å; K385-R412 PolarHBondContact O-NH1 3.16Å
386	D	90.2	Very high	89.3	Confident	73 Å²	73	83.2 Å²	83.2	39%	0.39	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-54.2	139.4	-179.1	-178.4	-89.8	0	0	0	112.1	K388 E389 L390	D386-K388 VanDerWaalsContact C-N 3.26Å; D386-K388 PolarHBondContact O-N 3.02Å; D386-K388 WeakPolarHBondContact OD1-CA 3.21Å; D386-K388 WeakPolarHBondContact OD1-CB 3.47Å; D386-K388 WeakPolarHBondContact OD1-CG 3.4Å; D386-K388 PolarHBondContact OD1-N 3.38Å; D386-E389 HydrophobicContact CB-CB 4.27Å; D386-E389 HydrophobicContact CB-CG 4.01Å; D386-E389 PolarHBondContact O-N 3.24Å; D386-E389 PolarHBondContact OD1-N 3.24Å; D386-L390 PolarHBondContact O-N 2.82Å
387	P	88.3	Confident	89.4	Confident	45 Å²	45	80.1 Å²	80.1	29%	0.292	36%	0.36	S	S	.	.	H	α-helix	trans	-58.6	-34.6	-179.4	-22.9	33.8	0	0	0	113.5	L390 K391 R412 V418	P387-L390 PolarHBondContact O-N 3.06Å; P387-K391 WeakPolarHBondContact O-CB 3.26Å; P387-K391 WeakPolarHBondContact O-CG 3.45Å; P387-K391 PolarHBondContact O-N 2.87Å; P387-R412 VanDerWaalsContact CD-NH1 3.31Å; P387-V418 HydrophobicContact CB-CG1 4.4Å
388	K	89.3	Confident	89.8	Confident	124 Å²	124	75.6 Å²	75.6	54%	0.539	34%	0.344	S	S	.	.	H	α-helix	trans	-70.7	-37.8	178.9	-55.7	174.5	178.9	172.1	0	110.7	D386 K392	D386-K388 VanDerWaalsContact C-N 3.26Å; D386-K388 PolarHBondContact O-N 3.02Å; D386-K388 WeakPolarHBondContact OD1-CA 3.21Å; D386-K388 WeakPolarHBondContact OD1-CB 3.47Å; D386-K388 WeakPolarHBondContact OD1-CG 3.4Å; D386-K388 PolarHBondContact OD1-N 3.38Å; K388-K392 WeakPolarHBondContact O-CG 3.15Å; K388-K392 PolarHBondContact O-N 3.07Å
389	E	90	Very high	90.2	Very high	113 Å²	113	74 Å²	74	53%	0.528	34%	0.338	S	S	.	.	H	α-helix	trans	-64	-45.6	173	-69.2	-175.9	169.2	0	0	111.4	D386 K391 K392 M393	D386-E389 HydrophobicContact CB-CB 4.27Å; D386-E389 HydrophobicContact CB-CG 4.01Å; D386-E389 PolarHBondContact O-N 3.24Å; D386-E389 PolarHBondContact OD1-N 3.24Å; E389-K391 PolarHBondContact O-N 3.25Å; E389-K392 WeakPolarHBondContact O-CB 2.92Å; E389-K392 PolarHBondContact O-N 3.12Å; E389-M393 PolarHBondContact O-N 2.93Å
390	L	89.3	Confident	90.6	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.2	-35.3	-179.5	-163.3	74.2	0	0	0	112.4	D386 P387 K392 M393 R412 H414 V418	D386-L390 PolarHBondContact O-N 2.82Å; P387-L390 PolarHBondContact O-N 3.06Å; L390-K392 PolarHBondContact O-N 3.42Å; L390-M393 HydrophobicContact CD1-SD 3.88Å; L390-M393 WeakPolarHBondContact O-CB 3.3Å; L390-M393 PolarHBondContact O-N 3.18Å; L390-R412 HydrophobicContact CD2-CB 4.24Å; L390-R412 HydrophobicContact CD2-CG 3.51Å; L390-H414 HydrophobicContact CD2-CB 4.05Å; L390-H414 HydrophobicContact CG-CB 4.01Å; L390-H414 PolarHBondContact O-ND1 2.99Å; L390-V418 HydrophobicContact CD2-CG1 4.3Å; L390-V418 HydrophobicContact CD2-CG2 4.44Å
391	K	88.8	Confident	91	Very high	128 Å²	128	74.1 Å²	74.1	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-60.7	-29.6	173.4	-80.1	-178.1	-177.8	-176	0	113.2	P387 E389 M393 H414 V418	P387-K391 WeakPolarHBondContact O-CB 3.26Å; P387-K391 WeakPolarHBondContact O-CG 3.45Å; P387-K391 PolarHBondContact O-N 2.87Å; E389-K391 PolarHBondContact O-N 3.25Å; K391-M393 VanDerWaalsContact C-N 3.3Å; K391-H414 PolarHBondContact O-CE1 3.34Å; K391-V418 HydrophobicContact CD-CG2 4.42Å; K391-V418 HydrophobicContact CG-CG2 3.47Å; K391-V418 VanDerWaalsContact CG-CG2 3.47Å
392	K	90.3	Very high	91.4	Very high	184 Å²	184	62.8 Å²	62.8	80%	0.8	29%	0.294	S	S	*	.	H	α-helix	trans	-76	-19.1	175.3	-66.8	172.1	-176.4	179.4	0	112.7	K388 E389 L390	K388-K392 WeakPolarHBondContact O-CG 3.15Å; K388-K392 PolarHBondContact O-N 3.07Å; E389-K392 WeakPolarHBondContact O-CB 2.92Å; E389-K392 PolarHBondContact O-N 3.12Å; L390-K392 PolarHBondContact O-N 3.42Å
393	M	90.2	Very high	91.7	Very high	79 Å²	79	62.5 Å²	62.5	39%	0.389	29%	0.292	S	S	.	.	S	Bend	trans	-78.8	163.9	177	-55.6	-171.5	79.7	0	0	111.2	E389 L390 K391 H414	E389-M393 PolarHBondContact O-N 2.93Å; L390-M393 HydrophobicContact CD1-SD 3.88Å; L390-M393 WeakPolarHBondContact O-CB 3.3Å; L390-M393 PolarHBondContact O-N 3.18Å; K391-M393 VanDerWaalsContact C-N 3.3Å; M393-H414 PolarHBondContact O-CE1 2.95Å; M393-H414 PolarHBondContact O-ND1 3.01Å; M393-H414 VanDerWaalsContact O-ND1 3.16Å
394	K	89.1	Confident	91.5	Very high	143 Å²	143	63.1 Å²	63.1	62%	0.622	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-55.7	143.7	177.3	65	176.6	-178.7	177.2	0	111.5	G396 S397	K394-G396 PolarHBondContact O-N 2.9Å; K394-S397 WeakPolarHBondContact CG-OG 3.46Å; K394-S397 VanDerWaalsContact O-CB 3.22Å; K394-S397 WeakPolarHBondContact O-CB 3.5Å; K394-S397 PolarHBondContact O-N 3.38Å; K394-S397 PolarHBondContact O-OG 3.34Å; K394-S397 VanDerWaalsContact O-OG 3.09Å
395	R	89.1	Confident	91.2	Very high	68 Å²	68	65.9 Å²	65.9	26%	0.257	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	131.9	169.9	-175.5	172.8	179.6	-178.9	8.3	109.5	D415 V447	R395-D415 WeakPolarHBondContact CG-O 3.2Å; R395-D415 IonicContact CZ-OD1 3.96Å; R395-D415 IonicContact CZ-OD2 3.47Å; R395-D415 IonicContact NE-OD1 3.13Å; R395-D415 PolarHBondContact NE-OD1 2.73Å; R395-D415 IonicContact NH2-OD1 3.02Å; R395-D415 PolarHBondContact NH2-OD1 3.11Å; R395-D415 IonicContact NH2-OD2 3.93Å; R395-D415 PolarHBondContact NH2-OD2 3.31Å; R395-V447 HydrophobicContact CG-CG1 4.11Å; R395-V447 HydrophobicContact CG-CG2 3.99Å
396	G	88.4	Confident	91.1	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.01	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.8	-4.4	-172.8	0	0	0	0	0	114.6	K394 F398 H414 H448	K394-G396 PolarHBondContact O-N 2.9Å; G396-F398 WeakPolarHBondContact O-CD1 3.49Å; G396-H414 WeakPolarHBondContact CA-O 3.12Å; G396-H414 PolarHBondContact N-O 2.99Å; G396-H448 WeakPolarHBondContact CA-O 3.31Å
397	S	92.4	Very high	91.2	Very high	16 Å²	16	61.1 Å²	61.1	11%	0.112	29%	0.287	C	S	.	.			trans	-65.9	143.2	169	-75.6	0	0	0	0	111.2	K394 H414	K394-S397 WeakPolarHBondContact CG-OG 3.46Å; K394-S397 VanDerWaalsContact O-CB 3.22Å; K394-S397 WeakPolarHBondContact O-CB 3.5Å; K394-S397 PolarHBondContact O-N 3.38Å; K394-S397 PolarHBondContact O-OG 3.34Å; K394-S397 VanDerWaalsContact O-OG 3.09Å; S397-H414 PolarHBondContact O-N 2.84Å
398	F	95	Very high	91.5	Very high	57 Å²	57	59 Å²	59	25%	0.25	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.5	175.9	50.5	-89.8	0	0	0	111.9	G396 Y400 R412 W413 I428 V431 H448 P450	G396-F398 WeakPolarHBondContact O-CD1 3.49Å; F398-Y400 AromaticContact CD2-CD1 3.85Å; F398-Y400 HydrophobicContact CD2-CD1 3.85Å; F398-Y400 HydrophobicContact CD2-CE1 4.12Å; F398-Y400 HydrophobicContact CE2-CD1 4.1Å; F398-Y400 AromaticContact CE2-CE1 3.9Å; F398-Y400 HydrophobicContact CE2-CE1 3.9Å; F398-R412 CarbonylContact C-O 3.47Å; F398-R412 WeakPolarHBondContact CA-O 3.11Å; F398-R412 VanDerWaalsContact CB-O 3.26Å; F398-R412 WeakPolarHBondContact CB-O 3.46Å; F398-W413 HydrophobicContact CB-CB 4.26Å; F398-I428 HydrophobicContact CD2-CD1 4.29Å; F398-I428 HydrophobicContact CD2-CG2 4.37Å; F398-I428 HydrophobicContact CE2-CD1 4.47Å; F398-I428 HydrophobicContact CE2-CG2 3.56Å; F398-I428 HydrophobicContact CZ-CG2 3.91Å; F398-V431 HydrophobicContact CE1-CG1 4.25Å; F398-V431 HydrophobicContact CE1-CG2 4.4Å; F398-V431 HydrophobicContact CZ-CG1 4.45Å; F398-V431 HydrophobicContact CZ-CG2 3.86Å; F398-H448 HydrophobicContact CE1-CB 4.47Å; F398-P450 HydrophobicContact CB-CG 4.35Å; F398-P450 HydrophobicContact CD1-CG 3.65Å; F398-P450 HydrophobicContact CD2-CG 4.28Å; F398-P450 HydrophobicContact CE1-CG 3.98Å; F398-P450 HydrophobicContact CG-CG 3.83Å; F398-P450 HydrophobicContact CZ-CG 4.43Å
399	D	96.2	Very high	91.8	Very high	13 Å²	13	53 Å²	53	7%	0.07	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	154.5	164.6	-170.2	31.1	0	0	0	109.5	K114 L384 K385 C411 R412	K114-D399 IonicContact NZ-OD1 2.67Å; K114-D399 PolarHBondContact NZ-OD1 2.97Å; L384-D399 WeakPolarHBondContact CA-OD2 3.21Å; K385-D399 HydrophobicContact CB-CB 4.07Å; K385-D399 HydrophobicContact CD-CB 4.18Å; K385-D399 HydrophobicContact CG-CB 4.08Å; K385-D399 WeakPolarHBondContact CG-OD2 3.44Å; K385-D399 PolarHBondContact N-OD2 3.03Å; D399-C411 CarbonylContact O-C 3.51Å; D399-C411 WeakPolarHBondContact O-CA 3.34Å; D399-R412 PolarHBondContact N-O 3.47Å; D399-R412 PolarHBondContact O-N 2.63Å
400	Y	96.6	Very high	92.2	Very high	38 Å²	38	47.7 Å²	47.7	15%	0.149	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	152.9	-176	64.2	-81.7	0	0	0	111.2	K114 R115 F398 I409 V410 I428	K114-Y400 HydrophobicContact CD-CE1 4.5Å; K114-Y400 HydrophobicContact CD-CE2 4.46Å; K114-Y400 WeakPolarHBondContact CD-O 3.45Å; K114-Y400 PolarHBondContact NZ-O 3.07Å; R115-Y400 VanDerWaalsContact O-CE2 3.3Å; R115-Y400 WeakPolarHBondContact O-CE2 3.37Å; F398-Y400 AromaticContact CD2-CD1 3.85Å; F398-Y400 HydrophobicContact CD2-CD1 3.85Å; F398-Y400 HydrophobicContact CD2-CE1 4.12Å; F398-Y400 HydrophobicContact CE2-CD1 4.1Å; F398-Y400 AromaticContact CE2-CE1 3.9Å; F398-Y400 HydrophobicContact CE2-CE1 3.9Å; Y400-I409 HydrophobicContact CD2-CD1 3.93Å; Y400-I409 HydrophobicContact CG-CD1 4.45Å; Y400-V410 CarbonylContact C-O 3.57Å; Y400-V410 WeakPolarHBondContact CA-O 3.25Å; Y400-V410 WeakPolarHBondContact CB-O 3.32Å; Y400-I428 HydrophobicContact CD1-CD1 3.78Å; Y400-I428 HydrophobicContact CD1-CG1 3.7Å; Y400-I428 HydrophobicContact CD2-CD1 4.25Å; Y400-I428 HydrophobicContact CD2-CG1 3.65Å; Y400-I428 HydrophobicContact CE1-CD1 4.35Å; Y400-I428 HydrophobicContact CE1-CG1 3.85Å; Y400-I428 HydrophobicContact CE1-CG2 4.37Å; Y400-I428 HydrophobicContact CE2-CG1 3.76Å; Y400-I428 HydrophobicContact CG-CD1 3.73Å; Y400-I428 HydrophobicContact CG-CG1 3.61Å
401	K	96.4	Very high	92.5	Very high	47 Å²	47	47.7 Å²	47.7	20%	0.204	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	151.1	172.4	-59	-72	-178.3	167.5	0	109.5	W112 T113 K114 P383 L384 I409 V410	W112-K401 HydrophobicContact CB-CB 4.21Å; W112-K401 HydrophobicContact CD2-CB 4.47Å; W112-K401 HydrophobicContact CE3-CB 3.8Å; T113-K401 WeakPolarHBondContact O-CA 3.24Å; K114-K401 HydrophobicContact CB-CD 4.41Å; K114-K401 HydrophobicContact CD-CD 4.46Å; P383-K401 HydrophobicContact CG-CG 4.36Å; P383-K401 WeakPolarHBondContact O-CE 3.35Å; L384-K401 HydrophobicContact CD2-CG 4.02Å; K401-I409 WeakPolarHBondContact O-CA 3.37Å; K401-V410 PolarHBondContact N-O 3.47Å; K401-V410 PolarHBondContact O-N 3.45Å
402	V	96	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.8	174.4	175.4	0	0	0	0	109	W112 T113 R115 I117 E404 I408 I409	W112-V402 CarbonylContact C-O 3.49Å; W112-V402 WeakPolarHBondContact CA-O 3.46Å; T113-V402 PolarHBondContact N-O 3.31Å; T113-V402 PolarHBondContact O-N 3.19Å; R115-V402 HydrophobicContact CG-CB 4.35Å; R115-V402 WeakPolarHBondContact O-CG2 3.5Å; I117-V402 HydrophobicContact CB-CG2 4.34Å; V402-E404 PolarHBondContact O-N 2.85Å; V402-I408 CarbonylContact C-O 3.56Å; V402-I408 WeakPolarHBondContact CA-O 3.27Å; V402-I409 HydrophobicContact CG2-CB 3.86Å; V402-I409 HydrophobicContact CG2-CD1 4.04Å; V402-I409 HydrophobicContact CG2-CG1 3.82Å
403	D	93.9	Very high	93.1	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	115.7	165.2	178.6	2.6	0	0	0	109.2	R110 I111 W112 S405 E407 I408	R110-D403 VanDerWaalsContact CD-OD2 3.24Å; R110-D403 WeakPolarHBondContact CD-OD2 3.34Å; R110-D403 WeakPolarHBondContact CG-OD2 3.36Å; R110-D403 IonicContact CZ-OD2 2.7Å; R110-D403 IonicContact NE-OD2 2.76Å; R110-D403 IonicContact NH1-OD2 3.49Å; R110-D403 PolarHBondContact NH1-OD2 3.38Å; I111-D403 WeakPolarHBondContact O-CA 3.43Å; W112-D403 HydrophobicContact CE3-CB 4.16Å; W112-D403 HydrophobicContact CH2-CB 4.24Å; W112-D403 HydrophobicContact CZ3-CB 3.96Å; D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 PolarHBondContact O-N 3.37Å; D403-S405 PolarHBondContact OD1-N 3.33Å; D403-E407 VanDerWaalsContact O-CA 3.29Å; D403-E407 WeakPolarHBondContact O-CA 3.23Å; D403-E407 PolarHBondContact O-N 3.5Å; D403-I408 HydrophobicContact CB-CB 4.43Å; D403-I408 PolarHBondContact N-O 3.44Å
404	E	87.8	Confident	93.2	Very high	82 Å²	82	30.6 Å²	30.6	38%	0.383	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-29.1	-175.6	-60.9	-162.6	138.4	0	0	114	I111 T113 R115 V402	I111-E404 HydrophobicContact CG2-CG 4.46Å; I111-E404 PolarHBondContact O-N 3Å; T113-E404 WeakPolarHBondContact CB-OE1 3.38Å; T113-E404 HydrophobicContact CG2-CG 3.8Å; T113-E404 WeakPolarHBondContact CG2-OE1 3.2Å; T113-E404 VanDerWaalsContact OG1-CD 3.32Å; T113-E404 WeakPolarHBondContact OG1-CG 3.33Å; T113-E404 PolarHBondContact OG1-OE1 3.12Å; R115-E404 IonicContact NE-OE1 3.75Å; V402-E404 PolarHBondContact O-N 2.85Å
405	S	86.6	Confident	93.1	Very high	80 Å²	80	24.9 Å²	24.9	56%	0.559	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-36.2	-175.4	-60.9	0	0	0	0	111.8	D403	D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 PolarHBondContact O-N 3.37Å; D403-S405 PolarHBondContact OD1-N 3.33Å
406	E	88.8	Confident	92.8	Very high	38 Å²	38	26.3 Å²	26.3	18%	0.178	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	3.2	-169.4	-64.6	-90.8	163.2	0	0	112.5	S361 R364 K365 I408	S361-E406 PolarHBondContact OG-OE2 3.2Å; R364-E406 WeakPolarHBondContact CD-O 3.12Å; R364-E406 PolarHBondContact NE-O 3.14Å; R364-E406 VanDerWaalsContact NE-O 3.11Å; K365-E406 VanDerWaalsContact CE-OE1 3.27Å; K365-E406 WeakPolarHBondContact CE-OE1 3.25Å; K365-E406 VanDerWaalsContact CE-OE2 3.23Å; K365-E406 WeakPolarHBondContact CE-OE2 3.2Å; K365-E406 IonicContact NZ-OE1 2.59Å; K365-E406 PolarHBondContact NZ-OE1 3.01Å; K365-E406 IonicContact NZ-OE2 3.61Å; E406-I408 HydrophobicContact CB-CD1 3.94Å; E406-I408 HydrophobicContact CB-CG1 4.19Å; E406-I408 PolarHBondContact O-N 2.9Å
407	E	92.4	Very high	92.7	Very high	26 Å²	26	29.2 Å²	29.2	12%	0.121	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	55.6	-176	-69.1	-68.1	139	0	0	112	R115 I117 R118 D403	R115-E407 IonicContact CZ-OE1 2.78Å; R115-E407 VanDerWaalsContact CZ-OE1 3.26Å; R115-E407 IonicContact CZ-OE2 3.94Å; R115-E407 IonicContact NH1-OE1 3.16Å; R115-E407 PolarHBondContact NH1-OE1 2.81Å; R115-E407 IonicContact NH1-OE2 3.41Å; R115-E407 PolarHBondContact NH1-OE2 3.28Å; R115-E407 IonicContact NH2-OE1 2.73Å; R115-E407 PolarHBondContact NH2-OE1 2.89Å; R115-E407 IonicContact NH2-OE2 3.87Å; I117-E407 HydrophobicContact CD1-CB 4.48Å; I117-E407 WeakPolarHBondContact CD1-O 3.49Å; I117-E407 HydrophobicContact CG1-CB 4.16Å; R118-E407 PolarHBondContact N-OE2 3.38Å; D403-E407 VanDerWaalsContact O-CA 3.29Å; D403-E407 WeakPolarHBondContact O-CA 3.23Å; D403-E407 PolarHBondContact O-N 3.5Å
408	I	95.2	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.3	176.7	-62.5	169.2	0	0	0	108.7	V357 M360 S361 V402 D403 E406 N424	V357-I408 HydrophobicContact CG1-CD1 4.39Å; V357-I408 HydrophobicContact CG1-CG2 4.46Å; M360-I408 HydrophobicContact CB-CD1 3.91Å; M360-I408 HydrophobicContact CB-CG1 4.3Å; M360-I408 HydrophobicContact CB-CG2 4.14Å; S361-I408 WeakPolarHBondContact OG-CD1 3.34Å; V402-I408 CarbonylContact C-O 3.56Å; V402-I408 WeakPolarHBondContact CA-O 3.27Å; D403-I408 HydrophobicContact CB-CB 4.43Å; D403-I408 PolarHBondContact N-O 3.44Å; E406-I408 HydrophobicContact CB-CD1 3.94Å; E406-I408 HydrophobicContact CB-CG1 4.19Å; E406-I408 PolarHBondContact O-N 2.9Å; I408-N424 HydrophobicContact CG1-CB 4.25Å
409	I	96.4	Very high	92.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.5	175.9	-168.8	167.4	0	0	0	110.9	I117 Y400 K401 V402 C422 S423 V426 I428 L452	I117-I409 HydrophobicContact CB-CB 4.41Å; I117-I409 HydrophobicContact CD1-CG2 4.4Å; Y400-I409 HydrophobicContact CD2-CD1 3.93Å; Y400-I409 HydrophobicContact CG-CD1 4.45Å; K401-I409 WeakPolarHBondContact O-CA 3.37Å; V402-I409 HydrophobicContact CG2-CB 3.86Å; V402-I409 HydrophobicContact CG2-CD1 4.04Å; V402-I409 HydrophobicContact CG2-CG1 3.82Å; I409-C422 CarbonylContact O-C 3.51Å; I409-C422 VanDerWaalsContact O-CA 3.32Å; I409-C422 WeakPolarHBondContact O-CA 3.37Å; I409-S423 WeakPolarHBondContact CG2-O 3.44Å; I409-S423 PolarHBondContact N-O 3.07Å; I409-S423 PolarHBondContact O-N 3.28Å; I409-V426 WeakPolarHBondContact CG2-O 3.49Å; I409-I428 HydrophobicContact CD1-CD1 4.13Å; I409-I428 HydrophobicContact CD1-CG1 3.79Å; I409-L452 HydrophobicContact CD1-CD2 4.23Å; I409-L452 HydrophobicContact CG2-CD2 4.47Å
410	V	97	Very high	92.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.2	163.8	-170.3	0	0	0	0	107.7	W112 V357 V374 T379 C382 L384 Y400 K401 I421	W112-V410 HydrophobicContact CH2-CG2 3.68Å; W112-V410 HydrophobicContact CZ3-CG2 3.86Å; V357-V410 HydrophobicContact CG2-CG2 3.94Å; V374-V410 HydrophobicContact CG1-CG1 4.24Å; T379-V410 HydrophobicContact CG2-CG1 3.97Å; C382-V410 HydrophobicContact CB-CB 4.43Å; C382-V410 HydrophobicContact CB-CG2 4.38Å; L384-V410 HydrophobicContact CD1-CB 4.34Å; L384-V410 HydrophobicContact CD1-CG1 3.7Å; Y400-V410 CarbonylContact C-O 3.57Å; Y400-V410 WeakPolarHBondContact CA-O 3.25Å; Y400-V410 WeakPolarHBondContact CB-O 3.32Å; K401-V410 PolarHBondContact N-O 3.47Å; K401-V410 PolarHBondContact O-N 3.45Å; V410-I421 WeakPolarHBondContact CA-O 3.41Å
411	C	96.6	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.3	179.1	177.1	0	0	0	0	110.3	D399 N420 I421 I428 L452	D399-C411 CarbonylContact O-C 3.51Å; D399-C411 WeakPolarHBondContact O-CA 3.34Å; C411-N420 CarbonylContact O-C 3.55Å; C411-N420 VanDerWaalsContact O-CA 3.32Å; C411-N420 WeakPolarHBondContact O-CA 3.4Å; C411-I421 PolarHBondContact N-O 3.12Å; C411-I421 PolarHBondContact O-N 2.87Å; C411-I428 HydrophobicContact CB-CD1 3.98Å; C411-I428 VanDerWaalsContact SG-CD1 3.58Å; C411-L452 HydrophobicContact CB-CD1 4.11Å; C411-L452 HydrophobicContact CB-CD2 3.77Å
412	R	96.1	Very high	92.4	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.2	168.5	-175	174.3	-72.2	154.7	20	108.9	E376 L384 K385 P387 L390 F398 D399 V418 V419 N420	E376-R412 IonicContact OE1-CZ 3.96Å; E376-R412 IonicContact OE1-NH1 3.26Å; E376-R412 IonicContact OE1-NH2 3Å; E376-R412 PolarHBondContact OE1-NH2 3.12Å; E376-R412 IonicContact OE2-CZ 3.05Å; E376-R412 IonicContact OE2-NH2 3.96Å; E376-R412 PolarHBondContact OE2-NH2 3.44Å; L384-R412 HydrophobicContact CD1-CB 4.27Å; K385-R412 PolarHBondContact O-NH1 3.16Å; P387-R412 VanDerWaalsContact CD-NH1 3.31Å; L390-R412 HydrophobicContact CD2-CB 4.24Å; L390-R412 HydrophobicContact CD2-CG 3.51Å; F398-R412 CarbonylContact C-O 3.47Å; F398-R412 WeakPolarHBondContact CA-O 3.11Å; F398-R412 VanDerWaalsContact CB-O 3.26Å; F398-R412 WeakPolarHBondContact CB-O 3.46Å; D399-R412 PolarHBondContact N-O 3.47Å; D399-R412 PolarHBondContact O-N 2.63Å; R412-V418 HydrophobicContact CG-CG1 3.4Å; R412-V418 VanDerWaalsContact CG-CG1 3.4Å; R412-V419 WeakPolarHBondContact CA-O 3.44Å; R412-N420 WeakPolarHBondContact CB-OD1 3.15Å; R412-N420 VanDerWaalsContact CG-OD1 3.31Å; R412-N420 WeakPolarHBondContact CG-OD1 3.46Å; R412-N420 PolarHBondContact NE-OD1 3.49Å; R412-N420 PolarHBondContact NH2-OD1 3.21Å
413	W	95.1	Very high	92.5	Very high	6 Å²	6	25.8 Å²	25.8	2%	0.023	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136	-178.3	178.8	61.7	0	0	0	110.7	F398 D415 V418 V419 V447 H448 Q449 V453	F398-W413 HydrophobicContact CB-CB 4.26Å; W413-D415 HydrophobicContact CD2-CB 4.37Å; W413-D415 HydrophobicContact CE3-CB 3.9Å; W413-D415 HydrophobicContact CH2-CB 3.54Å; W413-D415 HydrophobicContact CZ2-CB 4.03Å; W413-D415 HydrophobicContact CZ3-CB 3.46Å; W413-D415 VanDerWaalsContact CZ3-CB 3.46Å; W413-V418 WeakPolarHBondContact O-CA 3.41Å; W413-V419 PolarHBondContact N-O 3.42Å; W413-V419 PolarHBondContact O-N 3.1Å; W413-V447 HydrophobicContact CZ2-CG1 3.87Å; W413-H448 PolarHBondContact NE1-O 3.18Å; W413-Q449 HydrophobicContact CZ2-CB 4.46Å; W413-Q449 HydrophobicContact CZ2-CG 4.38Å; W413-V453 HydrophobicContact CB-CG2 4.38Å; W413-V453 HydrophobicContact CD2-CG1 4.12Å; W413-V453 HydrophobicContact CD2-CG2 4.31Å; W413-V453 HydrophobicContact CE3-CG1 3.54Å; W413-V453 HydrophobicContact CE3-CG2 4.38Å; W413-V453 HydrophobicContact CG-CG2 4.35Å; W413-V453 HydrophobicContact CH2-CG1 4.11Å; W413-V453 HydrophobicContact CZ3-CG1 3.53Å
414	H	92.3	Very high	92.5	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.111	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	111.4	177.2	179	-155	0	0	0	110.2	L390 K391 M393 G396 S397 V418	L390-H414 HydrophobicContact CD2-CB 4.05Å; L390-H414 HydrophobicContact CG-CB 4.01Å; L390-H414 PolarHBondContact O-ND1 2.99Å; K391-H414 PolarHBondContact O-CE1 3.34Å; M393-H414 PolarHBondContact O-CE1 2.95Å; M393-H414 PolarHBondContact O-ND1 3.01Å; M393-H414 VanDerWaalsContact O-ND1 3.16Å; G396-H414 WeakPolarHBondContact CA-O 3.12Å; G396-H414 PolarHBondContact N-O 2.99Å; S397-H414 PolarHBondContact O-N 2.84Å; H414-V418 HydrophobicContact CB-CG2 4.2Å
415	D	86	Confident	92.8	Very high	22 Å²	22	22.2 Å²	22.2	12%	0.118	14%	0.138	C	C	.	.	S	Bend	trans	-111	-117.9	169.7	-173.1	49.4	0	0	0	110.8	R395 W413 S417	R395-D415 WeakPolarHBondContact CG-O 3.2Å; R395-D415 IonicContact CZ-OD1 3.96Å; R395-D415 IonicContact CZ-OD2 3.47Å; R395-D415 IonicContact NE-OD1 3.13Å; R395-D415 PolarHBondContact NE-OD1 2.73Å; R395-D415 IonicContact NH2-OD1 3.02Å; R395-D415 PolarHBondContact NH2-OD1 3.11Å; R395-D415 IonicContact NH2-OD2 3.93Å; R395-D415 PolarHBondContact NH2-OD2 3.31Å; W413-D415 HydrophobicContact CD2-CB 4.37Å; W413-D415 HydrophobicContact CE3-CB 3.9Å; W413-D415 HydrophobicContact CH2-CB 3.54Å; W413-D415 HydrophobicContact CZ2-CB 4.03Å; W413-D415 HydrophobicContact CZ3-CB 3.46Å; W413-D415 VanDerWaalsContact CZ3-CB 3.46Å; D415-S417 VanDerWaalsContact C-N 3.31Å; D415-S417 PolarHBondContact N-O 2.99Å
416	S	83.5	Confident	93.2	Very high	99 Å²	99	19.6 Å²	19.6	69%	0.692	12%	0.118	S	C	*	.	S	Bend	trans	-72	-30.8	164.7	49.4	0	0	0	0	111.6
417	S	86.8	Confident	93.4	Very high	62 Å²	62	18.1 Å²	18.1	43%	0.434	11%	0.113	S	C	.	.	S	Bend	trans	-133.2	167.4	171.2	64.4	0	0	0	0	109.8	D415	D415-S417 VanDerWaalsContact C-N 3.31Å; D415-S417 PolarHBondContact N-O 2.99Å
418	V	89.6	Confident	93.6	Very high	32 Å²	32	16.9 Å²	16.9	19%	0.194	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	125.1	174.7	172.2	0	0	0	0	109	P387 L390 K391 R412 W413 H414	P387-V418 HydrophobicContact CB-CG1 4.4Å; L390-V418 HydrophobicContact CD2-CG1 4.3Å; L390-V418 HydrophobicContact CD2-CG2 4.44Å; K391-V418 HydrophobicContact CD-CG2 4.42Å; K391-V418 HydrophobicContact CG-CG2 3.47Å; K391-V418 VanDerWaalsContact CG-CG2 3.47Å; R412-V418 HydrophobicContact CG-CG1 3.4Å; R412-V418 VanDerWaalsContact CG-CG1 3.4Å; W413-V418 WeakPolarHBondContact O-CA 3.41Å; H414-V418 HydrophobicContact CB-CG2 4.2Å
419	V	92.7	Very high	93.4	Very high	45 Å²	45	22.4 Å²	22.4	27%	0.273	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	136.5	-178.6	-177.5	0	0	0	0	109.2	T373 R412 W413 I421	T373-V419 HydrophobicContact CG2-CG1 3.83Å; R412-V419 WeakPolarHBondContact CA-O 3.44Å; W413-V419 PolarHBondContact N-O 3.42Å; W413-V419 PolarHBondContact O-N 3.1Å; V419-I421 HydrophobicContact CG1-CG1 4.17Å
420	N	94.9	Very high	93.2	Very high	18 Å²	18	25.6 Å²	25.6	10%	0.096	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	136.4	168.5	-54.8	-47.8	0	0	0	109.6	T373 V374 E376 C411 R412	T373-N420 CarbonylContact C-O 3.56Å; T373-N420 VanDerWaalsContact CA-O 3.26Å; T373-N420 WeakPolarHBondContact CA-O 3.33Å; V374-N420 HydrophobicContact CG1-CB 3.64Å; V374-N420 PolarHBondContact N-O 3.46Å; V374-N420 WeakPolarHBondContact O-CB 3.44Å; E376-N420 PolarHBondContact OE2-ND2 3.11Å; C411-N420 CarbonylContact O-C 3.55Å; C411-N420 VanDerWaalsContact O-CA 3.32Å; C411-N420 WeakPolarHBondContact O-CA 3.4Å; R412-N420 WeakPolarHBondContact CB-OD1 3.15Å; R412-N420 VanDerWaalsContact CG-OD1 3.31Å; R412-N420 WeakPolarHBondContact CG-OD1 3.46Å; R412-N420 PolarHBondContact NE-OD1 3.49Å; R412-N420 PolarHBondContact NH2-OD1 3.21Å
421	I	96.4	Very high	93	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.9	174.8	-60.5	160.9	0	0	0	108	T371 G372 T373 V410 C411 V419 L452 V453	T371-I421 HydrophobicContact CG2-CG2 3.81Å; G372-I421 WeakPolarHBondContact O-CA 3.11Å; T373-I421 HydrophobicContact CG2-CG1 4.06Å; V410-I421 WeakPolarHBondContact CA-O 3.41Å; C411-I421 PolarHBondContact N-O 3.12Å; C411-I421 PolarHBondContact O-N 2.87Å; V419-I421 HydrophobicContact CG1-CG1 4.17Å; I421-L452 HydrophobicContact CB-CD1 3.53Å; I421-L452 HydrophobicContact CD1-CD1 4.11Å; I421-L452 HydrophobicContact CG1-CD1 4.42Å; I421-L452 HydrophobicContact CG2-CD1 3.32Å; I421-V453 HydrophobicContact CD1-CB 4.03Å; I421-V453 HydrophobicContact CD1-CG1 3.91Å; I421-V453 HydrophobicContact CD1-CG2 3.59Å
422	C	96.6	Very high	92.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	178.5	-169.1	0	0	0	0	109	T355 M360 T371 G372 V374 I409	T355-C422 HydrophobicContact CG2-CB 4.02Å; M360-C422 HydrophobicContact CE-CB 4.3Å; M360-C422 WeakPolarHBondContact CE-O 3.47Å; T371-C422 WeakPolarHBondContact CA-O 3.18Å; G372-C422 PolarHBondContact N-O 3.45Å; G372-C422 PolarHBondContact O-N 3.18Å; V374-C422 HydrophobicContact CB-CB 3.95Å; V374-C422 HydrophobicContact CG1-CB 3.85Å; V374-C422 HydrophobicContact CG2-CB 4.5Å; I409-C422 CarbonylContact O-C 3.51Å; I409-C422 VanDerWaalsContact O-CA 3.32Å; I409-C422 WeakPolarHBondContact O-CA 3.37Å
423	S	97	Very high	92	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.1	174	-170.5	0	0	0	0	111.3	A370 T371 I409 A425 V426	A370-S423 VanDerWaalsContact O-CA 3.27Å; A370-S423 WeakPolarHBondContact O-CA 3.44Å; A370-S423 PolarHBondContact O-OG 2.81Å; T371-S423 PolarHBondContact OG1-OG 2.89Å; I409-S423 WeakPolarHBondContact CG2-O 3.44Å; I409-S423 PolarHBondContact N-O 3.07Å; I409-S423 PolarHBondContact O-N 3.28Å; S423-A425 PolarHBondContact OG-N 3.46Å; S423-A425 VanDerWaalsContact OG-N 3.11Å; S423-V426 PolarHBondContact OG-N 3.27Å; S423-V426 VanDerWaalsContact OG-N 3.12Å
424	N	95.6	Very high	91.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-101.4	1.7	167.7	70.4	-2.2	0	0	0	112.8	I117 F121 M360 R364 V368 K369 A370 I408	I117-N424 VanDerWaalsContact CD1-C 3.46Å; I117-N424 WeakPolarHBondContact CD1-O 3.44Å; F121-N424 VanDerWaalsContact CE2-O 3.26Å; F121-N424 WeakPolarHBondContact CE2-O 3.47Å; M360-N424 HydrophobicContact CB-CB 4.42Å; M360-N424 PolarHBondContact O-ND2 3.39Å; R364-N424 HydrophobicContact CB-CB 4.34Å; R364-N424 PolarHBondContact N-ND2 3.35Å; V368-N424 PolarHBondContact O-ND2 3.42Å; K369-N424 WeakPolarHBondContact CA-OD1 3.38Å; A370-N424 PolarHBondContact N-OD1 2.9Å; A370-N424 PolarHBondContact O-N 3.33Å; A370-N424 VanDerWaalsContact O-N 3.15Å; A370-N424 PolarHBondContact O-OD1 3.03Å; I408-N424 HydrophobicContact CG1-CB 4.25Å
425	A	93.8	Very high	90.6	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	23%	0.234	C	C	.	.	S	Bend	trans	-134.1	-30.8	-165.9	0	0	0	0	0	114.9	P119 F121 K369 S423	P119-A425 VanDerWaalsContact CB-O 3.27Å; P119-A425 WeakPolarHBondContact CB-O 3.34Å; P119-A425 WeakPolarHBondContact CG-O 3.24Å; F121-A425 HydrophobicContact CD2-CB 4.32Å; F121-A425 HydrophobicContact CE2-CB 4.01Å; K369-A425 HydrophobicContact CB-CB 3.48Å; K369-A425 VanDerWaalsContact CB-CB 3.48Å; K369-A425 HydrophobicContact CD-CB 3.94Å; K369-A425 HydrophobicContact CG-CB 3.51Å; S423-A425 PolarHBondContact OG-N 3.46Å; S423-A425 VanDerWaalsContact OG-N 3.11Å
426	V	93.8	Very high	89.9	Confident	25 Å²	25	43.3 Å²	43.3	15%	0.152	24%	0.24	C	C	.	.			trans	-128	132.7	-173.8	-178.5	0	0	0	0	110.8	I409 S423 L452 L455	I409-V426 WeakPolarHBondContact CG2-O 3.49Å; S423-V426 PolarHBondContact OG-N 3.27Å; S423-V426 VanDerWaalsContact OG-N 3.12Å; V426-L452 HydrophobicContact CB-CB 4.32Å; V426-L452 HydrophobicContact CG1-CB 4.01Å; V426-L452 WeakPolarHBondContact O-CB 3.48Å; V426-L455 HydrophobicContact CB-CD2 4.41Å; V426-L455 HydrophobicContact CG1-CD2 4.39Å; V426-L455 HydrophobicContact CG2-CD2 3.68Å
427	G	93.8	Very high	88.8	Confident	7 Å²	7	44.4 Å²	44.4	7%	0.072	23%	0.234	C	C	.	.			trans	-97.7	-161.3	-175.2	0	0	0	0	0	115.1	D116 I117 L452	D116-G427 WeakPolarHBondContact OD1-CA 3.4Å; I117-G427 VanDerWaalsContact CG2-N 3.33Å; G427-L452 WeakPolarHBondContact O-CB 3.28Å; G427-L452 WeakPolarHBondContact O-CD2 3.22Å; G427-L452 PolarHBondContact O-N 3.35Å
428	I	95.5	Very high	87.3	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-79.1	-44.3	-179.6	-61	-64.7	0	0	0	110.9	D116 F398 Y400 I409 C411 V431 P450 S451 L452	D116-I428 PolarHBondContact OD1-N 2.94Å; D116-I428 PolarHBondContact OD2-N 3.38Å; D116-I428 VanDerWaalsContact OD2-N 3.13Å; F398-I428 HydrophobicContact CD2-CD1 4.29Å; F398-I428 HydrophobicContact CD2-CG2 4.37Å; F398-I428 HydrophobicContact CE2-CD1 4.47Å; F398-I428 HydrophobicContact CE2-CG2 3.56Å; F398-I428 HydrophobicContact CZ-CG2 3.91Å; Y400-I428 HydrophobicContact CD1-CD1 3.78Å; Y400-I428 HydrophobicContact CD1-CG1 3.7Å; Y400-I428 HydrophobicContact CD2-CD1 4.25Å; Y400-I428 HydrophobicContact CD2-CG1 3.65Å; Y400-I428 HydrophobicContact CE1-CD1 4.35Å; Y400-I428 HydrophobicContact CE1-CG1 3.85Å; Y400-I428 HydrophobicContact CE1-CG2 4.37Å; Y400-I428 HydrophobicContact CE2-CG1 3.76Å; Y400-I428 HydrophobicContact CG-CD1 3.73Å; Y400-I428 HydrophobicContact CG-CG1 3.61Å; I409-I428 HydrophobicContact CD1-CD1 4.13Å; I409-I428 HydrophobicContact CD1-CG1 3.79Å; C411-I428 HydrophobicContact CB-CD1 3.98Å; C411-I428 VanDerWaalsContact SG-CD1 3.58Å; I428-V431 HydrophobicContact CG2-CG2 3.62Å; I428-P450 HydrophobicContact CD1-CB 3.93Å; I428-P450 HydrophobicContact CD1-CG 4.34Å; I428-P450 HydrophobicContact CG2-CB 4.22Å; I428-S451 PolarHBondContact O-N 2.58Å; I428-L452 HydrophobicContact CD1-CD2 3.64Å; I428-L452 HydrophobicContact CG1-CD2 4.46Å
429	E	92.3	Very high	85.5	Confident	116 Å²	116	44.6 Å²	44.6	54%	0.542	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-83	148.8	-174.4	-64.2	-60.1	161.8	0	0	113	D116 V431 S451	D116-E429 PolarHBondContact OD2-N 3.38Å; E429-V431 PolarHBondContact OE2-N 3.46Å; E429-S451 VanDerWaalsContact O-CB 3.25Å; E429-S451 WeakPolarHBondContact O-CB 3.33Å
430	P	91.9	Very high	83.6	Confident	67 Å²	67	47.1 Å²	47.1	44%	0.435	28%	0.276	S	S	.	.	S	Bend	cis	-76.2	133.2	-8.3	30.9	-33.4	0	0	0	112	R432	P430-R432 PolarHBondContact O-N 2.82Å
431	V	91.8	Very high	81.7	Confident	39 Å²	39	50.2 Å²	50.2	24%	0.236	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-73	126.6	171	-178.6	0	0	0	0	109.9	F398 I428 E429 H448	F398-V431 HydrophobicContact CE1-CG1 4.25Å; F398-V431 HydrophobicContact CE1-CG2 4.4Å; F398-V431 HydrophobicContact CZ-CG1 4.45Å; F398-V431 HydrophobicContact CZ-CG2 3.86Å; I428-V431 HydrophobicContact CG2-CG2 3.62Å; E429-V431 PolarHBondContact OE2-N 3.46Å; V431-H448 HydrophobicContact CG1-CB 3.9Å
432	R	88.2	Confident	79.8	Confident	136 Å²	136	58.8 Å²	58.8	51%	0.513	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	148.2	-179.6	-61.3	-172.7	-172.4	-179.2	6.7	111.8	P430 Q449 K454	P430-R432 PolarHBondContact O-N 2.82Å; R432-Q449 PolarHBondContact N-O 3.39Å; R432-Q449 PolarHBondContact O-N 3.41Å; R432-K454 VanDerWaalsContact NH1-NZ 3.11Å
433	L	84.7	Confident	77.9	Confident	107 Å²	107	62.3 Å²	62.3	56%	0.56	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.3	168.4	-72.4	166.7	0	0	0	109.1	Q446	L433-Q446 HydrophobicContact CD2-CB 4.34Å
434	T	79.4	Confident	76.4	Confident	36 Å²	36	71 Å²	71	22%	0.221	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.1	176.5	-165.9	0	0	0	0	111.1	R436 Q446 V447 Q449	T434-R436 HydrophobicContact CG2-CG 4.15Å; T434-R436 PolarHBondContact O-N 3.4Å; T434-Q446 WeakPolarHBondContact O-CA 3.49Å; T434-V447 HydrophobicContact CG2-CB 4.37Å; T434-V447 PolarHBondContact N-O 3.04Å; T434-V447 PolarHBondContact O-N 3.38Å; T434-Q449 HydrophobicContact CG2-CB 3.87Å
435	S	77.8	Confident	75.3	Confident	43 Å²	43	73.4 Å²	73.4	30%	0.301	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.1	177.7	-175.1	0	0	0	0	109.9	R444	S435-R444 WeakPolarHBondContact OG-CB 3.32Å; S435-R444 PolarHBondContact OG-NE 2.89Å
436	R	72.1	Confident	74.7	Confident	65 Å²	65	78.9 Å²	78.9	25%	0.245	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.8	175.1	-67.9	-69.6	176.8	-176.8	-5.7	111.1	T434 R444 T445 V447	T434-R436 HydrophobicContact CG2-CG 4.15Å; T434-R436 PolarHBondContact O-N 3.4Å; R436-R444 WeakPolarHBondContact O-CA 3.02Å; R436-T445 PolarHBondContact N-O 3.18Å; R436-T445 PolarHBondContact O-N 3.49Å; R436-T445 PolarHBondContact O-OG1 3.03Å; R436-V447 HydrophobicContact CB-CG2 4.08Å; R436-V447 HydrophobicContact CG-CB 4.34Å; R436-V447 HydrophobicContact CG-CG2 4.01Å
437	H	60	Low	74.4	Confident	122 Å²	122	77.7 Å²	77.7	57%	0.565	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	126.2	171.2	-140.5	107.6	0	0	0	108.9
438	S	55.8	Low	74.1	Confident	20 Å²	20	80.9 Å²	80.9	14%	0.14	43%	0.431	C	S	.	.			trans	-93.2	113.3	170.6	172.5	0	0	0	0	108.5	A440 T441 K442 T443	S438-A440 PolarHBondContact O-N 3.42Å; S438-T441 VanDerWaalsContact CB-OG1 3.22Å; S438-T441 WeakPolarHBondContact CB-OG1 3.21Å; S438-T441 PolarHBondContact O-N 2.8Å; S438-T441 PolarHBondContact OG-OG1 2.86Å; S438-K442 PolarHBondContact O-N 2.81Å; S438-T443 PolarHBondContact N-O 2.72Å; S438-T443 VanDerWaalsContact N-O 3.09Å
439	G	51.7	Low	74	Confident	79 Å²	79	81.2 Å²	81.2	81%	0.814	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.2	177.6	0	0	0	0	0	113.1
440	A	53.3	Low	74.1	Confident	98 Å²	98	75.7 Å²	75.7	81%	0.81	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-27	-179.3	0	0	0	0	0	113.8	S438	S438-A440 PolarHBondContact O-N 3.42Å
441	T	54.6	Low	74.3	Confident	82 Å²	82	74 Å²	74	50%	0.503	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-4.4	-172.3	48	0	0	0	0	114.2	S438 T443	S438-T441 VanDerWaalsContact CB-OG1 3.22Å; S438-T441 WeakPolarHBondContact CB-OG1 3.21Å; S438-T441 PolarHBondContact O-N 2.8Å; S438-T441 PolarHBondContact OG-OG1 2.86Å; T441-T443 VanDerWaalsContact CB-OG1 3.23Å; T441-T443 WeakPolarHBondContact CB-OG1 3.21Å; T441-T443 WeakPolarHBondContact O-CG2 3.42Å; T441-T443 PolarHBondContact O-N 2.83Å; T441-T443 PolarHBondContact OG1-OG1 3.39Å
442	K	56.5	Low	74.4	Confident	184 Å²	184	72.1 Å²	72.1	80%	0.8	39%	0.385	S	S	*	.	S	Bend	trans	48.8	22.9	-170.7	-66.4	-177.2	178.7	177.2	0	113.4	S438	S438-K442 PolarHBondContact O-N 2.81Å
443	T	56.7	Low	74.8	Confident	74 Å²	74	65.7 Å²	65.7	45%	0.454	36%	0.361	S	S	.	.	S	Bend	trans	-110.5	151.7	178.4	51.1	0	0	0	0	110.3	S438 T441	S438-T443 PolarHBondContact N-O 2.72Å; S438-T443 VanDerWaalsContact N-O 3.09Å; T441-T443 VanDerWaalsContact CB-OG1 3.23Å; T441-T443 WeakPolarHBondContact CB-OG1 3.21Å; T441-T443 WeakPolarHBondContact O-CG2 3.42Å; T441-T443 PolarHBondContact O-N 2.83Å; T441-T443 PolarHBondContact OG1-OG1 3.39Å
444	R	64.9	Low	75.2	Confident	184 Å²	184	63.3 Å²	63.3	69%	0.694	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.3	176.8	-65.5	-177.2	97.8	118.2	0	109.3	S435 R436	S435-R444 WeakPolarHBondContact OG-CB 3.32Å; S435-R444 PolarHBondContact OG-NE 2.89Å; R436-R444 WeakPolarHBondContact O-CA 3.02Å
445	T	72.4	Confident	75.9	Confident	50 Å²	50	63 Å²	63	31%	0.307	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	138	176	47.1	0	0	0	0	110.8	R436	R436-T445 PolarHBondContact N-O 3.18Å; R436-T445 PolarHBondContact O-N 3.49Å; R436-T445 PolarHBondContact O-OG1 3.03Å
446	Q	82.1	Confident	76.8	Confident	121 Å²	121	62.2 Å²	62.2	57%	0.565	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.3	171.4	-67	-65.4	-22	0	0	109.5	L433 T434	L433-Q446 HydrophobicContact CD2-CB 4.34Å; T434-Q446 WeakPolarHBondContact O-CA 3.49Å
447	V	86.1	Confident	77.7	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.006	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.6	-174.3	-176	0	0	0	0	108.7	R395 W413 T434 R436 Q449	R395-V447 HydrophobicContact CG-CG1 4.11Å; R395-V447 HydrophobicContact CG-CG2 3.99Å; W413-V447 HydrophobicContact CZ2-CG1 3.87Å; T434-V447 HydrophobicContact CG2-CB 4.37Å; T434-V447 PolarHBondContact N-O 3.04Å; T434-V447 PolarHBondContact O-N 3.38Å; R436-V447 HydrophobicContact CB-CG2 4.08Å; R436-V447 HydrophobicContact CG-CB 4.34Å; R436-V447 HydrophobicContact CG-CG2 4.01Å; V447-Q449 PolarHBondContact O-N 2.83Å
448	H	88.6	Confident	79.3	Confident	74 Å²	74	61.3 Å²	61.3	34%	0.343	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.8	170.7	-69.4	-84.6	0	0	0	109.5	G396 F398 W413 V431	G396-H448 WeakPolarHBondContact CA-O 3.31Å; F398-H448 HydrophobicContact CE1-CB 4.47Å; W413-H448 PolarHBondContact NE1-O 3.18Å; V431-H448 HydrophobicContact CG1-CB 3.9Å
449	Q	93.3	Very high	81.1	Confident	8 Å²	8	62.7 Å²	62.7	4%	0.037	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	118	-178.3	-174.9	173.2	27.6	0	0	109.6	W413 R432 T434 V447 V453 K454	W413-Q449 HydrophobicContact CZ2-CB 4.46Å; W413-Q449 HydrophobicContact CZ2-CG 4.38Å; R432-Q449 PolarHBondContact N-O 3.39Å; R432-Q449 PolarHBondContact O-N 3.41Å; T434-Q449 HydrophobicContact CG2-CB 3.87Å; V447-Q449 PolarHBondContact O-N 2.83Å; Q449-V453 HydrophobicContact CG-CB 4.05Å; Q449-V453 HydrophobicContact CG-CG1 4.2Å; Q449-K454 HydrophobicContact CG-CB 4.22Å
450	P	95.3	Very high	83	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.308	C	S	.	.			trans	-64	151	171.7	-18.4	29.4	0	0	0	112.2	F398 I428 L452 V453 K454	F398-P450 HydrophobicContact CB-CG 4.35Å; F398-P450 HydrophobicContact CD1-CG 3.65Å; F398-P450 HydrophobicContact CD2-CG 4.28Å; F398-P450 HydrophobicContact CE1-CG 3.98Å; F398-P450 HydrophobicContact CG-CG 3.83Å; F398-P450 HydrophobicContact CZ-CG 4.43Å; I428-P450 HydrophobicContact CD1-CB 3.93Å; I428-P450 HydrophobicContact CD1-CG 4.34Å; I428-P450 HydrophobicContact CG2-CB 4.22Å; P450-L452 HydrophobicContact CB-CG 4.4Å; P450-L452 PolarHBondContact O-N 2.88Å; P450-V453 HydrophobicContact CB-CG2 4.01Å; P450-V453 HydrophobicContact CG-CG2 3.95Å; P450-V453 WeakPolarHBondContact O-CB 3.47Å; P450-V453 PolarHBondContact O-N 3.46Å; P450-V453 VanDerWaalsContact O-N 3.07Å; P450-K454 PolarHBondContact O-N 3.02Å; P450-K454 VanDerWaalsContact O-N 3.13Å
451	S	94.8	Very high	84.8	Confident	30 Å²	30	57.2 Å²	57.2	21%	0.21	28%	0.282	C	S	.	.	H	α-helix	trans	-55.7	-46.2	-177.7	-173.7	0	0	0	0	112.6	I428 E429 V453 K454 L455	I428-S451 PolarHBondContact O-N 2.58Å; E429-S451 VanDerWaalsContact O-CB 3.25Å; E429-S451 WeakPolarHBondContact O-CB 3.33Å; S451-V453 VanDerWaalsContact C-N 3.28Å; S451-V453 PolarHBondContact O-N 3.25Å; S451-K454 WeakPolarHBondContact O-CB 3.48Å; S451-K454 PolarHBondContact O-N 3.18Å; S451-K454 VanDerWaalsContact O-N 3.17Å; S451-L455 PolarHBondContact O-N 2.93Å
452	L	95.3	Very high	86.7	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.9	-36.3	176.8	69.8	99	0	0	0	113.6	I409 C411 I421 V426 G427 I428 P450 Y456	I409-L452 HydrophobicContact CD1-CD2 4.23Å; I409-L452 HydrophobicContact CG2-CD2 4.47Å; C411-L452 HydrophobicContact CB-CD1 4.11Å; C411-L452 HydrophobicContact CB-CD2 3.77Å; I421-L452 HydrophobicContact CB-CD1 3.53Å; I421-L452 HydrophobicContact CD1-CD1 4.11Å; I421-L452 HydrophobicContact CG1-CD1 4.42Å; I421-L452 HydrophobicContact CG2-CD1 3.32Å; V426-L452 HydrophobicContact CB-CB 4.32Å; V426-L452 HydrophobicContact CG1-CB 4.01Å; V426-L452 WeakPolarHBondContact O-CB 3.48Å; G427-L452 WeakPolarHBondContact O-CB 3.28Å; G427-L452 WeakPolarHBondContact O-CD2 3.22Å; G427-L452 PolarHBondContact O-N 3.35Å; I428-L452 HydrophobicContact CD1-CD2 3.64Å; I428-L452 HydrophobicContact CG1-CD2 4.46Å; P450-L452 HydrophobicContact CB-CG 4.4Å; P450-L452 PolarHBondContact O-N 2.88Å; L452-Y456 VanDerWaalsContact O-CB 3.29Å; L452-Y456 WeakPolarHBondContact O-CB 3.16Å; L452-Y456 PolarHBondContact O-N 3.26Å
453	V	94.8	Very high	88.5	Confident	1 Å²	1	45 Å²	45	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-71.2	-43.8	179	-175	0	0	0	0	110.3	W413 I421 Q449 P450 S451 Y456 Q457	W413-V453 HydrophobicContact CB-CG2 4.38Å; W413-V453 HydrophobicContact CD2-CG1 4.12Å; W413-V453 HydrophobicContact CD2-CG2 4.31Å; W413-V453 HydrophobicContact CE3-CG1 3.54Å; W413-V453 HydrophobicContact CE3-CG2 4.38Å; W413-V453 HydrophobicContact CG-CG2 4.35Å; W413-V453 HydrophobicContact CH2-CG1 4.11Å; W413-V453 HydrophobicContact CZ3-CG1 3.53Å; I421-V453 HydrophobicContact CD1-CB 4.03Å; I421-V453 HydrophobicContact CD1-CG1 3.91Å; I421-V453 HydrophobicContact CD1-CG2 3.59Å; Q449-V453 HydrophobicContact CG-CB 4.05Å; Q449-V453 HydrophobicContact CG-CG1 4.2Å; P450-V453 HydrophobicContact CB-CG2 4.01Å; P450-V453 HydrophobicContact CG-CG2 3.95Å; P450-V453 WeakPolarHBondContact O-CB 3.47Å; P450-V453 PolarHBondContact O-N 3.46Å; P450-V453 VanDerWaalsContact O-N 3.07Å; S451-V453 VanDerWaalsContact C-N 3.28Å; S451-V453 PolarHBondContact O-N 3.25Å; V453-Y456 PolarHBondContact O-N 3.17Å; V453-Q457 WeakPolarHBondContact O-CG 3.33Å; V453-Q457 PolarHBondContact O-N 3.39Å; V453-Q457 VanDerWaalsContact O-N 3.14Å
454	K	93.9	Very high	90.2	Very high	58 Å²	58	43 Å²	43	25%	0.252	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-52.7	178.3	178.6	-179.4	170.1	179.1	0	110.3	R432 Q449 P450 S451 Y456 Q457 E458	R432-K454 VanDerWaalsContact NH1-NZ 3.11Å; Q449-K454 HydrophobicContact CG-CB 4.22Å; P450-K454 PolarHBondContact O-N 3.02Å; P450-K454 VanDerWaalsContact O-N 3.13Å; S451-K454 WeakPolarHBondContact O-CB 3.48Å; S451-K454 PolarHBondContact O-N 3.18Å; S451-K454 VanDerWaalsContact O-N 3.17Å; K454-Y456 VanDerWaalsContact C-N 3.34Å; K454-Y456 PolarHBondContact O-N 2.84Å; K454-Q457 PolarHBondContact O-N 3.38Å; K454-E458 WeakPolarHBondContact CE-OE1 3.48Å; K454-E458 IonicContact NZ-OE1 3.8Å; K454-E458 WeakPolarHBondContact O-CG 3.42Å; K454-E458 PolarHBondContact O-N 2.68Å; K454-E458 VanDerWaalsContact O-N 3.14Å
455	L	94.8	Very high	91.6	Very high	29 Å²	29	39 Å²	39	15%	0.152	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-43	-178.1	-174.8	66.1	0	0	0	111.7	F265 F349 V426 S451 Q457 E458 K459	F265-L455 HydrophobicContact CE1-CD1 4.14Å; F265-L455 HydrophobicContact CE1-CD2 4.4Å; F265-L455 HydrophobicContact CZ-CD1 4.38Å; F349-L455 HydrophobicContact CE1-CD2 4.11Å; F349-L455 HydrophobicContact CE1-CG 3.86Å; F349-L455 HydrophobicContact CZ-CD1 4.4Å; F349-L455 HydrophobicContact CZ-CD2 3.87Å; F349-L455 HydrophobicContact CZ-CG 3.74Å; V426-L455 HydrophobicContact CB-CD2 4.41Å; V426-L455 HydrophobicContact CG1-CD2 4.39Å; V426-L455 HydrophobicContact CG2-CD2 3.68Å; S451-L455 PolarHBondContact O-N 2.93Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; L455-Q457 PolarHBondContact O-N 2.9Å; L455-E458 PolarHBondContact O-N 2.83Å; L455-K459 HydrophobicContact CD1-CG 3.82Å; L455-K459 HydrophobicContact CG-CG 4.33Å; L455-K459 WeakPolarHBondContact O-CG 3.45Å; L455-K459 PolarHBondContact O-N 3.41Å; L455-K459 VanDerWaalsContact O-N 3.12Å
456	Y	95.4	Very high	92.8	Very high	26 Å²	26	36.6 Å²	36.6	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-54.6	-49.6	176.4	178.5	-99.4	0	0	0	112	F349 F350 T371 T373 L452 V453 K454 E458 K459 V460	F349-Y456 HydrophobicContact CD1-CD2 4.03Å; F350-Y456 WeakPolarHBondContact O-CE2 3.29Å; F350-Y456 PolarHBondContact O-OH 3.02Å; T371-Y456 HydrophobicContact CG2-CD2 4.07Å; T371-Y456 HydrophobicContact CG2-CG 4.49Å; T373-Y456 HydrophobicContact CG2-CD1 4.28Å; T373-Y456 HydrophobicContact CG2-CE1 3.51Å; T373-Y456 HydrophobicContact CG2-CE2 4.47Å; T373-Y456 PolarHBondContact OG1-OH 3.33Å; L452-Y456 VanDerWaalsContact O-CB 3.29Å; L452-Y456 WeakPolarHBondContact O-CB 3.16Å; L452-Y456 PolarHBondContact O-N 3.26Å; V453-Y456 PolarHBondContact O-N 3.17Å; K454-Y456 VanDerWaalsContact C-N 3.34Å; K454-Y456 PolarHBondContact O-N 2.84Å; Y456-E458 VanDerWaalsContact C-N 3.31Å; Y456-E458 PolarHBondContact O-N 2.92Å; Y456-K459 PolarHBondContact O-N 3.3Å; Y456-V460 HydrophobicContact CD1-CG1 4.39Å; Y456-V460 HydrophobicContact CD2-CB 4.37Å; Y456-V460 HydrophobicContact CE1-CB 4.35Å; Y456-V460 HydrophobicContact CE1-CG1 4.02Å; Y456-V460 HydrophobicContact CE1-CG2 4.44Å; Y456-V460 HydrophobicContact CE2-CB 3.98Å; Y456-V460 HydrophobicContact CE2-CG2 3.76Å; Y456-V460 VanDerWaalsContact O-CB 3.3Å; Y456-V460 WeakPolarHBondContact O-CB 3.47Å; Y456-V460 VanDerWaalsContact O-CG1 3.27Å; Y456-V460 WeakPolarHBondContact O-CG1 3.21Å; Y456-V460 PolarHBondContact O-N 3.02Å
457	Q	92.3	Very high	93.3	Very high	77 Å²	77	33.2 Å²	33.2	36%	0.36	17%	0.172	S	C	.	.	H	α-helix	trans	-66.5	-31.2	-178.5	-70.9	173.4	-8.8	0	0	113.5	V453 K454 L455	V453-Q457 WeakPolarHBondContact O-CG 3.33Å; V453-Q457 PolarHBondContact O-N 3.39Å; V453-Q457 VanDerWaalsContact O-N 3.14Å; K454-Q457 PolarHBondContact O-N 3.38Å; L455-Q457 VanDerWaalsContact C-N 3.34Å; L455-Q457 PolarHBondContact O-N 2.9Å
458	E	92.9	Very high	93.6	Very high	91 Å²	91	39.3 Å²	39.3	43%	0.425	20%	0.201	S	C	.	.	H	α-helix	trans	-70.9	-37.7	177.3	-72.9	174.7	176.6	0	0	111.9	K454 L455 Y456	K454-E458 WeakPolarHBondContact CE-OE1 3.48Å; K454-E458 IonicContact NZ-OE1 3.8Å; K454-E458 WeakPolarHBondContact O-CG 3.42Å; K454-E458 PolarHBondContact O-N 2.68Å; K454-E458 VanDerWaalsContact O-N 3.14Å; L455-E458 PolarHBondContact O-N 2.83Å; Y456-E458 VanDerWaalsContact C-N 3.31Å; Y456-E458 PolarHBondContact O-N 2.92Å
459	K	94	Very high	93.8	Very high	49 Å²	49	36.8 Å²	36.8	21%	0.213	19%	0.19	C	C	.	.	H	α-helix	trans	-105.1	-25.5	-165.2	-56.5	-59.4	-177.3	173.7	0	115.4	F265 S302 F349 L455 Y456 G461	F265-K459 HydrophobicContact CB-CB 4.47Å; F265-K459 HydrophobicContact CB-CD 3.86Å; F265-K459 HydrophobicContact CB-CG 4.19Å; F265-K459 HydrophobicContact CD1-CD 4.45Å; F265-K459 HydrophobicContact CD1-CG 4.26Å; F265-K459 HydrophobicContact CD2-CD 4Å; F265-K459 VanDerWaalsContact CD2-CE 3.47Å; F265-K459 HydrophobicContact CG-CD 3.84Å; F265-K459 HydrophobicContact CG-CG 4.12Å; S302-K459 WeakPolarHBondContact OG-CD 3.4Å; F349-K459 HydrophobicContact CD1-CB 4.21Å; F349-K459 HydrophobicContact CD2-CB 3.38Å; F349-K459 HydrophobicContact CD2-CG 4.33Å; F349-K459 HydrophobicContact CE1-CB 4.12Å; F349-K459 HydrophobicContact CE2-CB 3.3Å; F349-K459 HydrophobicContact CE2-CG 3.75Å; F349-K459 HydrophobicContact CG-CB 3.87Å; F349-K459 HydrophobicContact CZ-CB 3.69Å; F349-K459 HydrophobicContact CZ-CG 3.84Å; L455-K459 HydrophobicContact CD1-CG 3.82Å; L455-K459 HydrophobicContact CG-CG 4.33Å; L455-K459 WeakPolarHBondContact O-CG 3.45Å; L455-K459 PolarHBondContact O-N 3.41Å; L455-K459 VanDerWaalsContact O-N 3.12Å; Y456-K459 PolarHBondContact O-N 3.3Å; K459-G461 PolarHBondContact O-N 3.15Å; K459-G461 VanDerWaalsContact O-N 3.13Å
460	V	91.4	Very high	93.8	Very high	39 Å²	39	37 Å²	37	24%	0.236	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-14	-179.1	76	0	0	0	0	114.3	S267 F349 Y456 G462	S267-V460 PolarHBondContact OG-O 3.37Å; F349-V460 HydrophobicContact CB-CB 4.15Å; F349-V460 HydrophobicContact CB-CG2 4.28Å; Y456-V460 HydrophobicContact CD1-CG1 4.39Å; Y456-V460 HydrophobicContact CD2-CB 4.37Å; Y456-V460 HydrophobicContact CE1-CB 4.35Å; Y456-V460 HydrophobicContact CE1-CG1 4.02Å; Y456-V460 HydrophobicContact CE1-CG2 4.44Å; Y456-V460 HydrophobicContact CE2-CB 3.98Å; Y456-V460 HydrophobicContact CE2-CG2 3.76Å; Y456-V460 VanDerWaalsContact O-CB 3.3Å; Y456-V460 WeakPolarHBondContact O-CB 3.47Å; Y456-V460 VanDerWaalsContact O-CG1 3.27Å; Y456-V460 WeakPolarHBondContact O-CG1 3.21Å; Y456-V460 PolarHBondContact O-N 3.02Å; V460-G462 PolarHBondContact O-N 3.11Å; V460-G462 VanDerWaalsContact O-N 3.12Å
461	G	90.3	Very high	93.6	Very high	24 Å²	24	40.1 Å²	40.1	25%	0.247	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	3.4	-173.9	0	0	0	0	0	116.1	K459 G464 R465	K459-G461 PolarHBondContact O-N 3.15Å; K459-G461 VanDerWaalsContact O-N 3.13Å; G461-G464 PolarHBondContact O-N 2.69Å; G461-R465 VanDerWaalsContact O-CG 3.27Å; G461-R465 WeakPolarHBondContact O-CG 3.32Å; G461-R465 PolarHBondContact O-N 3.39Å
462	G	94.6	Very high	93.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.7	-53	-173.3	0	0	0	0	0	113.5	T300 T301 G304 V460 G464 R465 M466	T300-G462 VanDerWaalsContact OG1-C 3.22Å; T300-G462 WeakPolarHBondContact OG1-CA 3.44Å; T301-G462 WeakPolarHBondContact O-CA 3.22Å; G304-G462 VanDerWaalsContact CA-O 3.23Å; G304-G462 WeakPolarHBondContact CA-O 3.29Å; V460-G462 PolarHBondContact O-N 3.11Å; V460-G462 VanDerWaalsContact O-N 3.12Å; G462-G464 PolarHBondContact O-N 3.08Å; G462-R465 PolarHBondContact O-N 3.06Å; G462-M466 PolarHBondContact O-N 3.27Å; G462-M466 VanDerWaalsContact O-N 3.09Å
463	V	94.6	Very high	93.2	Very high	10 Å²	10	47.9 Å²	47.9	6%	0.061	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-47.2	-179.5	178.9	0	0	0	0	111.1	E270 T300 R465 M466 D467	E270-V463 WeakPolarHBondContact O-CG1 3.48Å; T300-V463 HydrophobicContact CG2-CG2 3.99Å; T300-V463 PolarHBondContact OG1-N 3.22Å; T300-V463 VanDerWaalsContact OG1-N 3.17Å; V463-R465 VanDerWaalsContact C-N 3.28Å; V463-R465 PolarHBondContact O-N 3.11Å; V463-M466 HydrophobicContact CG1-CE 4.5Å; V463-M466 WeakPolarHBondContact O-CB 3.38Å; V463-M466 PolarHBondContact O-N 2.8Å; V463-M466 VanDerWaalsContact O-N 3.14Å; V463-D467 PolarHBondContact O-N 3.26Å
464	G	93.3	Very high	92.9	Very high	32 Å²	32	48.8 Å²	48.8	33%	0.33	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-33.8	178	0	0	0	0	0	113.6	G461 G462 Q468	G461-G464 PolarHBondContact O-N 2.69Å; G462-G464 PolarHBondContact O-N 3.08Å; G464-Q468 WeakPolarHBondContact O-CB 3.44Å; G464-Q468 WeakPolarHBondContact O-CG 3.46Å; G464-Q468 PolarHBondContact O-N 3.01Å
465	R	94.6	Very high	92.8	Very high	99 Å²	99	46.1 Å²	46.1	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-68	-43.1	174.4	-74.4	172	-175.6	115	4.9	111.9	S302 G461 G462 V463 Q468 N469	S302-R465 PolarHBondContact O-NH1 3.21Å; G461-R465 VanDerWaalsContact O-CG 3.27Å; G461-R465 WeakPolarHBondContact O-CG 3.32Å; G461-R465 PolarHBondContact O-N 3.39Å; G462-R465 PolarHBondContact O-N 3.06Å; V463-R465 VanDerWaalsContact C-N 3.28Å; V463-R465 PolarHBondContact O-N 3.11Å; R465-Q468 PolarHBondContact O-N 3.14Å; R465-N469 VanDerWaalsContact O-CG 3.26Å; R465-N469 PolarHBondContact O-N 3.27Å; R465-N469 PolarHBondContact O-ND2 3.35Å
466	M	96.1	Very high	92.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.5	-51	174.8	179.3	-166.3	73.1	0	0	110.7	T300 G304 L306 G462 V463 Q468 N469 I470	T300-M466 HydrophobicContact CG2-CB 4.47Å; T300-M466 HydrophobicContact CG2-SD 3.95Å; G304-M466 WeakPolarHBondContact O-CB 3.43Å; L306-M466 HydrophobicContact CB-SD 3.68Å; L306-M466 HydrophobicContact CD1-SD 3.77Å; L306-M466 HydrophobicContact CD2-SD 4.15Å; L306-M466 HydrophobicContact CG-SD 4.07Å; G462-M466 PolarHBondContact O-N 3.27Å; G462-M466 VanDerWaalsContact O-N 3.09Å; V463-M466 HydrophobicContact CG1-CE 4.5Å; V463-M466 WeakPolarHBondContact O-CB 3.38Å; V463-M466 PolarHBondContact O-N 2.8Å; V463-M466 VanDerWaalsContact O-N 3.14Å; M466-Q468 VanDerWaalsContact C-N 3.32Å; M466-Q468 PolarHBondContact O-N 3.01Å; M466-N469 WeakPolarHBondContact O-CB 3.13Å; M466-N469 PolarHBondContact O-N 3.16Å; M466-N469 VanDerWaalsContact O-N 3.11Å; M466-I470 HydrophobicContact CG-CD1 3.85Å; M466-I470 WeakPolarHBondContact O-CG1 3.25Å; M466-I470 PolarHBondContact O-N 2.75Å; M466-I470 HydrophobicContact SD-CD1 4.44Å
467	D	93.5	Very high	92	Very high	50 Å²	50	49 Å²	49	27%	0.267	25%	0.251	S	S	.	.	H	α-helix	trans	-60.5	-41.6	-179.8	-74.7	-11.5	0	0	0	112	S271 V463 N469 I470 A471	S271-D467 WeakPolarHBondContact CB-OD1 3.19Å; S271-D467 PolarHBondContact OG-OD1 2.99Å; V463-D467 PolarHBondContact O-N 3.26Å; D467-N469 VanDerWaalsContact C-N 3.33Å; D467-N469 PolarHBondContact O-N 3.39Å; D467-I470 PolarHBondContact O-N 2.75Å; D467-A471 WeakPolarHBondContact O-CB 3Å; D467-A471 PolarHBondContact O-N 3.46Å
468	Q	91.9	Very high	91.3	Very high	128 Å²	128	47 Å²	47	60%	0.598	24%	0.239	S	C	*	.	H	α-helix	trans	-61.5	-39.8	175.3	-76.2	169.8	26.4	0	0	112.5	G464 R465 M466	G464-Q468 WeakPolarHBondContact O-CB 3.44Å; G464-Q468 WeakPolarHBondContact O-CG 3.46Å; G464-Q468 PolarHBondContact O-N 3.01Å; R465-Q468 PolarHBondContact O-N 3.14Å; M466-Q468 VanDerWaalsContact C-N 3.32Å; M466-Q468 PolarHBondContact O-N 3.01Å
469	N	93.4	Very high	90.4	Very high	22 Å²	22	43.1 Å²	43.1	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-68.5	-46.7	177.7	-69.8	-19.6	0	0	0	111.4	R465 M466 D467 A471 K472 N496 L513	R465-N469 VanDerWaalsContact O-CG 3.26Å; R465-N469 PolarHBondContact O-N 3.27Å; R465-N469 PolarHBondContact O-ND2 3.35Å; M466-N469 WeakPolarHBondContact O-CB 3.13Å; M466-N469 PolarHBondContact O-N 3.16Å; M466-N469 VanDerWaalsContact O-N 3.11Å; D467-N469 VanDerWaalsContact C-N 3.33Å; D467-N469 PolarHBondContact O-N 3.39Å; N469-A471 VanDerWaalsContact C-N 3.34Å; N469-A471 PolarHBondContact O-N 3.4Å; N469-K472 PolarHBondContact O-N 3.43Å; N469-N496 WeakPolarHBondContact CB-OD1 3.25Å; N469-N496 PolarHBondContact ND2-OD1 3.32Å; N469-L513 HydrophobicContact CB-CD2 4Å
470	I	93.1	Very high	89.4	Confident	11 Å²	11	41.7 Å²	41.7	6%	0.056	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-45.1	177.9	-71.8	175.2	0	0	0	110.4	M466 D467 K472 Y473 K474 D492 A493 N496	M466-I470 HydrophobicContact CG-CD1 3.85Å; M466-I470 WeakPolarHBondContact O-CG1 3.25Å; M466-I470 PolarHBondContact O-N 2.75Å; M466-I470 HydrophobicContact SD-CD1 4.44Å; D467-I470 PolarHBondContact O-N 2.75Å; I470-K472 PolarHBondContact O-N 3.38Å; I470-K472 VanDerWaalsContact O-N 3.14Å; I470-Y473 PolarHBondContact O-N 2.93Å; I470-K474 WeakPolarHBondContact O-CA 3.38Å; I470-K474 WeakPolarHBondContact O-CB 3.35Å; I470-K474 PolarHBondContact O-N 2.77Å; I470-K474 VanDerWaalsContact O-N 3.08Å; I470-D492 HydrophobicContact CG1-CB 4.21Å; I470-D492 HydrophobicContact CG2-CB 3.82Å; I470-A493 HydrophobicContact CD1-CB 4.32Å; I470-N496 HydrophobicContact CG1-CB 4.39Å
471	A	89.9	Confident	88.9	Confident	66 Å²	66	40.4 Å²	40.4	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-26.5	-176.3	0	0	0	0	0	114.2	D467 N469	D467-A471 WeakPolarHBondContact O-CB 3Å; D467-A471 PolarHBondContact O-N 3.46Å; N469-A471 VanDerWaalsContact C-N 3.34Å; N469-A471 PolarHBondContact O-N 3.4Å
472	K	90.3	Very high	88.5	Confident	137 Å²	137	39.3 Å²	39.3	60%	0.596	20%	0.198	S	C	*	.	H	α-helix	trans	-65.4	-41.8	-178.3	-75.1	178.9	-179.5	-179.5	0	113.3	N469 I470	N469-K472 PolarHBondContact O-N 3.43Å; I470-K472 PolarHBondContact O-N 3.38Å; I470-K472 VanDerWaalsContact O-N 3.14Å
473	Y	91.3	Very high	88	Confident	57 Å²	57	39.5 Å²	39.5	22%	0.224	20%	0.199	C	C	.	.	H	α-helix	trans	-131.4	25.6	-171	-54.7	-58.5	0	0	0	112.5	G190 I470 V475 L513 L514 R517	G190-Y473 CarbonylContact C-O 3.47Å; G190-Y473 WeakPolarHBondContact CA-O 3.46Å; G190-Y473 CarbonylContact O-C 3.56Å; G190-Y473 WeakPolarHBondContact O-CA 3.34Å; I470-Y473 PolarHBondContact O-N 2.93Å; Y473-V475 PolarHBondContact O-N 3.47Å; Y473-L513 HydrophobicContact CD2-CD2 3.97Å; Y473-L513 HydrophobicContact CD2-CG 3.98Å; Y473-L513 HydrophobicContact CE2-CB 4.24Å; Y473-L513 HydrophobicContact CE2-CD2 4.21Å; Y473-L513 HydrophobicContact CE2-CG 4.15Å; Y473-L514 HydrophobicContact CD1-CD1 4Å; Y473-L514 HydrophobicContact CE1-CB 4.2Å; Y473-L514 HydrophobicContact CE1-CD1 3.81Å; Y473-L514 HydrophobicContact CE1-CD2 4.2Å; Y473-L514 HydrophobicContact CE1-CG 4.28Å; Y473-L514 HydrophobicContact CE2-CB 3.8Å; Y473-L514 HydrophobicContact CG-CD1 4.48Å; Y473-R517 VanDerWaalsContact C-NH1 3.3Å; Y473-R517 VanDerWaalsContact CB-NH1 3.35Å; Y473-R517 PolarHBondContact O-NH1 3.27Å
474	K	90.1	Very high	87.5	Confident	19 Å²	19	39.6 Å²	39.6	8%	0.083	20%	0.201	C	C	.	.			trans	-50.6	134.7	-175.8	-177.4	174.5	-178	170	0	112.4	G190 E274 I470 K476 D492	G190-K474 WeakPolarHBondContact CA-O 3.26Å; E274-K474 VanDerWaalsContact CB-NZ 3.28Å; E274-K474 IonicContact OE2-NZ 3.67Å; E274-K474 PolarHBondContact OE2-NZ 3.4Å; I470-K474 WeakPolarHBondContact O-CA 3.38Å; I470-K474 WeakPolarHBondContact O-CB 3.35Å; I470-K474 PolarHBondContact O-N 2.77Å; I470-K474 VanDerWaalsContact O-N 3.08Å; K474-K476 WeakPolarHBondContact O-CD 3.23Å; K474-K476 WeakPolarHBondContact O-CE 3.25Å; K474-K476 WeakPolarHBondContact O-CG 3.44Å; K474-K476 PolarHBondContact O-N 2.87Å; K474-D492 WeakPolarHBondContact CA-OD2 3.19Å; K474-D492 WeakPolarHBondContact CG-OD2 3.19Å
475	V	91.4	Very high	87	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	19%	0.187	C	C	.	.			trans	-49.4	128.8	175.9	174.2	0	0	0	0	110.9	L186 Y473 I477 R478 I491 D492	L186-V475 HydrophobicContact CB-CG1 4.02Å; L186-V475 HydrophobicContact CD2-CG1 4.27Å; Y473-V475 PolarHBondContact O-N 3.47Å; V475-I477 WeakPolarHBondContact CG1-O 3.29Å; V475-R478 PolarHBondContact O-NE 3.41Å; V475-R478 PolarHBondContact O-NH2 2.9Å; V475-I491 HydrophobicContact CG2-CB 4.48Å; V475-I491 HydrophobicContact CG2-CG2 4.16Å; V475-D492 PolarHBondContact N-OD2 3.4Å
476	K	87.1	Confident	86.7	Confident	104 Å²	104	33.7 Å²	33.7	45%	0.452	17%	0.169	S	C	.	.			trans	-104.5	-36.6	-173.9	-60.8	-63.4	-178.1	176.5	0	113.4	S189 K474 R478	S189-K476 VanDerWaalsContact O-CB 3.32Å; S189-K476 WeakPolarHBondContact O-CB 3.37Å; S189-K476 WeakPolarHBondContact O-CG 3.25Å; S189-K476 PolarHBondContact OG-N 3.46Å; K474-K476 WeakPolarHBondContact O-CD 3.23Å; K474-K476 WeakPolarHBondContact O-CE 3.25Å; K474-K476 WeakPolarHBondContact O-CG 3.44Å; K474-K476 PolarHBondContact O-N 2.87Å; K476-R478 PolarHBondContact O-N 2.95Å
477	I	86.1	Confident	86.5	Confident	13 Å²	13	33.9 Å²	33.9	7%	0.067	17%	0.17	C	C	.	.			trans	-69.7	128.9	173.3	-68	166.6	0	0	0	108.7	I185 L186 S189 R197 F200 F221 F225 V475	I185-I477 HydrophobicContact CG2-CD1 3.5Å; L186-I477 HydrophobicContact CD2-CB 3.81Å; L186-I477 HydrophobicContact CD2-CG2 3.73Å; S189-I477 PolarHBondContact OG-N 2.74Å; S189-I477 VanDerWaalsContact OG-N 3.11Å; R197-I477 HydrophobicContact CB-CG1 4.11Å; F200-I477 HydrophobicContact CD2-CD1 3.93Å; F200-I477 HydrophobicContact CE2-CD1 3.6Å; F200-I477 HydrophobicContact CE2-CG1 4.09Å; F200-I477 HydrophobicContact CZ-CD1 4.42Å; F221-I477 HydrophobicContact CZ-CG2 4.15Å; F225-I477 HydrophobicContact CE1-CG2 4.09Å; F225-I477 HydrophobicContact CZ-CG2 3.98Å; V475-I477 WeakPolarHBondContact CG1-O 3.29Å
478	R	77.2	Confident	86.5	Confident	33 Å²	33	31.8 Å²	31.8	13%	0.125	16%	0.16	C	C	.	.			trans	-138.2	150.2	-179.7	-62.3	178.7	-170	140.3	-3	109.9	R197 F225 F276 V475 K476	R197-R478 PolarHBondContact NH1-O 3.26Å; R197-R478 VanDerWaalsContact NH1-O 3.16Å; F225-R478 VanDerWaalsContact CE1-C 3.47Å; F276-R478 VanDerWaalsContact CD2-CZ 3.49Å; V475-R478 PolarHBondContact O-NE 3.41Å; V475-R478 PolarHBondContact O-NH2 2.9Å; K476-R478 PolarHBondContact O-N 2.95Å
479	G	74.6	Confident	86.6	Confident	11 Å²	11	26 Å²	26	11%	0.113	13%	0.133	C	C	.	.			trans	-83.2	168	171.2	0	0	0	0	0	109.2	F225 S484	F225-G479 VanDerWaalsContact CE1-CA 3.44Å; F225-G479 VanDerWaalsContact CE1-N 3.29Å; F225-G479 VanDerWaalsContact CZ-N 3.31Å; G479-S484 PolarHBondContact N-OG 3.26Å; G479-S484 PolarHBondContact O-OG 3.34Å
480	M	71.9	Confident	86.7	Confident	19 Å²	19	24.9 Å²	24.9	9%	0.094	13%	0.127	C	C	.	.	S	Bend	trans	-80.8	-27.2	174.3	-64.5	-61.9	101.5	0	0	111.6	D58 S59 E62 P71 W482	D58-M480 HydrophobicContact CB-CB 4.43Å; D58-M480 WeakPolarHBondContact OD1-CB 3.38Å; D58-M480 WeakPolarHBondContact OD1-CG 3.2Å; S59-M480 WeakPolarHBondContact OG-CB 3.02Å; S59-M480 VanDerWaalsContact OG-CG 3.27Å; S59-M480 WeakPolarHBondContact OG-CG 3.28Å; S59-M480 PolarHBondContact OG-SD 3.32Å; E62-M480 HydrophobicContact CG-CE 4.37Å; P71-M480 WeakPolarHBondContact CD-O 3.36Å; P71-M480 HydrophobicContact CG-CB 4.48Å; P71-M480 WeakPolarHBondContact CG-O 3.47Å; M480-W482 PolarHBondContact O-N 3.04Å
481	K	82.5	Confident	86.9	Confident	12 Å²	12	24.4 Å²	24.4	5%	0.052	13%	0.125	C	C	.	.	S	Bend	trans	-56.2	140.6	176.9	-53.6	-171.4	-166	164.6	0	111.6	D56 Y164 S226 Y483 S484	D56-K481 WeakPolarHBondContact O-CE 3.46Å; Y164-K481 VanDerWaalsContact CE1-NZ 3.29Å; S226-K481 WeakPolarHBondContact O-CE 2.98Å; S226-K481 PolarHBondContact O-NZ 3.19Å; K481-Y483 HydrophobicContact CB-CD1 4.3Å; K481-Y483 HydrophobicContact CB-CD2 4.45Å; K481-Y483 HydrophobicContact CB-CE1 3.97Å; K481-Y483 HydrophobicContact CB-CE2 4.15Å; K481-Y483 HydrophobicContact CD-CE1 4Å; K481-Y483 HydrophobicContact CD-CE2 3.88Å; K481-Y483 WeakPolarHBondContact CD-OH 3.29Å; K481-Y483 PolarHBondContact NZ-OH 3.16Å; K481-Y483 PolarHBondContact O-N 3.41Å; K481-Y483 VanDerWaalsContact O-N 3.13Å; K481-S484 WeakPolarHBondContact O-CB 3.49Å; K481-S484 PolarHBondContact O-N 3.34Å; K481-S484 PolarHBondContact O-OG 2.94Å
482	W	80.6	Confident	87.3	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-36.2	-172.4	73.6	-98.7	0	0	0	113.2	P46 P47 V74 F242 K244 V245 Y294 M480 S484	P46-W482 HydrophobicContact CB-CD2 4.35Å; P46-W482 HydrophobicContact CB-CE3 3.89Å; P46-W482 HydrophobicContact CB-CH2 3.9Å; P46-W482 HydrophobicContact CB-CZ2 4.33Å; P46-W482 HydrophobicContact CB-CZ3 3.66Å; P47-W482 HydrophobicContact CG-CG 4.18Å; V74-W482 HydrophobicContact CG2-CB 3.54Å; F242-W482 AromaticContact CD1-CH2 3.88Å; F242-W482 HydrophobicContact CD1-CH2 3.88Å; F242-W482 AromaticContact CD1-CZ3 3.79Å; F242-W482 HydrophobicContact CD1-CZ3 3.79Å; F242-W482 HydrophobicContact CE1-CH2 4.41Å; F242-W482 AromaticContact CE1-CZ3 3.89Å; F242-W482 HydrophobicContact CE1-CZ3 3.89Å; K244-W482 HydrophobicContact CB-CZ2 4.08Å; V245-W482 HydrophobicContact CG2-CH2 4.2Å; Y294-W482 HydrophobicContact CE2-CE3 4.46Å; Y294-W482 AromaticContact CZ-CE3 3.97Å; Y294-W482 PolarHBondContact OH-O 3.09Å; M480-W482 PolarHBondContact O-N 3.04Å; W482-S484 VanDerWaalsContact C-N 3.28Å; W482-S484 PolarHBondContact O-N 3Å
483	Y	85.7	Confident	87.6	Confident	4 Å²	4	14.7 Å²	14.7	2%	0.016	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.9	-179.8	51.7	-98.7	0	0	0	114.4	D56 H229 F230 K244 V245 K481 S485 F486 I487	D56-Y483 PolarHBondContact OD1-OH 3.13Å; H229-Y483 PolarHBondContact CE1-OH 3.11Å; H229-Y483 AromaticContact ND1-CZ 3.59Å; H229-Y483 PolarHBondContact ND1-OH 3.02Å; F230-Y483 HydrophobicContact CD2-CD2 4.06Å; F230-Y483 HydrophobicContact CD2-CE2 4.43Å; F230-Y483 AromaticContact CE2-CD2 3.96Å; F230-Y483 HydrophobicContact CE2-CD2 3.96Å; F230-Y483 HydrophobicContact CE2-CE2 4.39Å; K244-Y483 HydrophobicContact CB-CD1 4.22Å; K244-Y483 HydrophobicContact CB-CE1 4.48Å; K244-Y483 HydrophobicContact CD-CD1 3.96Å; K244-Y483 HydrophobicContact CD-CE1 3.59Å; V245-Y483 VanDerWaalsContact CG1-CB 3.49Å; V245-Y483 HydrophobicContact CG1-CG 4.32Å; K481-Y483 HydrophobicContact CB-CD1 4.3Å; K481-Y483 HydrophobicContact CB-CD2 4.45Å; K481-Y483 HydrophobicContact CB-CE1 3.97Å; K481-Y483 HydrophobicContact CB-CE2 4.15Å; K481-Y483 HydrophobicContact CD-CE1 4Å; K481-Y483 HydrophobicContact CD-CE2 3.88Å; K481-Y483 WeakPolarHBondContact CD-OH 3.29Å; K481-Y483 PolarHBondContact NZ-OH 3.16Å; K481-Y483 PolarHBondContact O-N 3.41Å; K481-Y483 VanDerWaalsContact O-N 3.13Å; Y483-S485 VanDerWaalsContact C-N 3.31Å; Y483-S485 PolarHBondContact O-N 3.32Å; Y483-F486 VanDerWaalsContact O-CB 3.24Å; Y483-F486 WeakPolarHBondContact O-CB 3.24Å; Y483-F486 PolarHBondContact O-N 3.07Å; Y483-F486 VanDerWaalsContact O-N 3.13Å; Y483-I487 PolarHBondContact O-N 2.91Å
484	S	83.9	Confident	88	Confident	13 Å²	13	12 Å²	12	9%	0.091	6%	0.06	C	C	.	.	H	α-helix	trans	-67.2	-31	177.5	71.8	0	0	0	0	113	G479 K481 W482 F486 I487 G488	G479-S484 PolarHBondContact N-OG 3.26Å; G479-S484 PolarHBondContact O-OG 3.34Å; K481-S484 WeakPolarHBondContact O-CB 3.49Å; K481-S484 PolarHBondContact O-N 3.34Å; K481-S484 PolarHBondContact O-OG 2.94Å; W482-S484 VanDerWaalsContact C-N 3.28Å; W482-S484 PolarHBondContact O-N 3Å; S484-F486 PolarHBondContact O-N 3.1Å; S484-I487 WeakPolarHBondContact O-CG2 3.46Å; S484-G488 PolarHBondContact O-N 3.22Å
485	S	82.6	Confident	88.4	Confident	6 Å²	6	11.1 Å²	11.1	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-67.2	-30.1	174.5	-65.3	0	0	0	0	111	C273 Y483 G488 Y489	C273-S485 PolarHBondContact SG-O 2.97Å; Y483-S485 VanDerWaalsContact C-N 3.31Å; Y483-S485 PolarHBondContact O-N 3.32Å; S485-G488 PolarHBondContact O-N 3.32Å; S485-Y489 PolarHBondContact O-N 3.01Å; S485-Y489 VanDerWaalsContact O-N 3.12Å
486	F	88.6	Confident	88.7	Confident	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69.5	-43.3	-180	-162.3	-97.3	0	0	0	112.5	V245 I249 I296 F309 P311 Y483 S484 G488 Y489 V490	V245-F486 HydrophobicContact CB-CD1 3.91Å; V245-F486 HydrophobicContact CB-CE1 4.13Å; V245-F486 HydrophobicContact CG1-CB 4.48Å; V245-F486 HydrophobicContact CG1-CD1 4.06Å; V245-F486 HydrophobicContact CG1-CG 4.48Å; V245-F486 HydrophobicContact CG2-CD1 4Å; V245-F486 HydrophobicContact CG2-CE1 4.07Å; V245-F486 HydrophobicContact CG2-CG 4.34Å; V245-F486 HydrophobicContact CG2-CZ 4.45Å; I249-F486 HydrophobicContact CD1-CE1 3.8Å; I249-F486 HydrophobicContact CD1-CE2 4.38Å; I249-F486 HydrophobicContact CD1-CZ 3.45Å; I249-F486 VanDerWaalsContact CD1-CZ 3.45Å; I249-F486 HydrophobicContact CG1-CE1 3.37Å; I249-F486 HydrophobicContact CG1-CZ 3.39Å; I296-F486 HydrophobicContact CD1-CE2 4.33Å; F309-F486 HydrophobicContact CD2-CZ 4.46Å; F309-F486 HydrophobicContact CE2-CE1 4.22Å; F309-F486 HydrophobicContact CE2-CE2 4.43Å; F309-F486 AromaticContact CE2-CZ 3.63Å; F309-F486 HydrophobicContact CE2-CZ 3.63Å; P311-F486 HydrophobicContact CB-CE2 4.21Å; P311-F486 HydrophobicContact CG-CE2 4.24Å; P311-F486 HydrophobicContact CG-CZ 4.39Å; Y483-F486 VanDerWaalsContact O-CB 3.24Å; Y483-F486 WeakPolarHBondContact O-CB 3.24Å; Y483-F486 PolarHBondContact O-N 3.07Å; Y483-F486 VanDerWaalsContact O-N 3.13Å; S484-F486 PolarHBondContact O-N 3.1Å; F486-G488 VanDerWaalsContact C-N 3.27Å; F486-G488 PolarHBondContact O-N 3.21Å; F486-Y489 WeakPolarHBondContact O-CB 3.25Å; F486-Y489 PolarHBondContact O-N 3.5Å; F486-Y489 VanDerWaalsContact O-N 3.16Å; F486-V490 HydrophobicContact CD1-CG2 3.91Å; F486-V490 HydrophobicContact CE1-CG2 3.75Å; F486-V490 WeakPolarHBondContact O-CG2 3.41Å; F486-V490 PolarHBondContact O-N 3.13Å
487	I	91.7	Very high	89.2	Confident	4 Å²	4	6.1 Å²	6.1	2%	0.021	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-38.3	175.3	-178.8	62.3	0	0	0	111.3	F149 L228 F230 L248 Y483 S484 Y489 V490 I491	F149-I487 HydrophobicContact CE1-CD1 4.49Å; F149-I487 HydrophobicContact CZ-CD1 4.46Å; L228-I487 HydrophobicContact CD2-CG2 4.38Å; F230-I487 HydrophobicContact CE1-CD1 3.95Å; F230-I487 HydrophobicContact CE1-CG1 4.25Å; F230-I487 HydrophobicContact CE2-CB 4.14Å; F230-I487 HydrophobicContact CE2-CG2 4.42Å; F230-I487 HydrophobicContact CZ-CB 3.66Å; F230-I487 HydrophobicContact CZ-CD1 3.95Å; F230-I487 HydrophobicContact CZ-CG1 3.76Å; F230-I487 HydrophobicContact CZ-CG2 4.1Å; L248-I487 HydrophobicContact CD2-CD1 4.01Å; Y483-I487 PolarHBondContact O-N 2.91Å; S484-I487 WeakPolarHBondContact O-CG2 3.46Å; I487-Y489 PolarHBondContact O-N 3.23Å; I487-V490 PolarHBondContact O-N 3.41Å; I487-I491 HydrophobicContact CD1-CD1 4.26Å; I487-I491 HydrophobicContact CD1-CG1 4.21Å; I487-I491 HydrophobicContact CG1-CD1 3.91Å; I487-I491 HydrophobicContact CG1-CG1 4.35Å; I487-I491 VanDerWaalsContact O-CG1 3.29Å; I487-I491 WeakPolarHBondContact O-CG1 3.33Å; I487-I491 PolarHBondContact O-N 2.99Å
488	G	92.7	Very high	89.8	Confident	6 Å²	6	5.5 Å²	5.5	6%	0.062	3%	0.031	C	C	.	.	H	α-helix	trans	-57.9	-47.4	172.8	0	0	0	0	0	112.3	S484 S485 F486 V490 I491 D492	S484-G488 PolarHBondContact O-N 3.22Å; S485-G488 PolarHBondContact O-N 3.32Å; F486-G488 VanDerWaalsContact C-N 3.27Å; F486-G488 PolarHBondContact O-N 3.21Å; G488-V490 PolarHBondContact O-N 2.87Å; G488-I491 PolarHBondContact O-N 2.86Å; G488-D492 WeakPolarHBondContact O-CB 3.45Å; G488-D492 PolarHBondContact O-N 3.31Å
489	Y	94.1	Very high	90.8	Very high	6 Å²	6	5.3 Å²	5.3	2%	0.024	3%	0.03	C	C	.	.	H	α-helix	trans	-59.1	-44.7	175.4	174.2	-91.3	0	0	0	112.5	C273 I296 F309 S485 F486 I487 D492 A493	C273-Y489 HydrophobicContact CB-CD2 4Å; C273-Y489 HydrophobicContact CB-CG 4.03Å; I296-Y489 HydrophobicContact CD1-CD1 3.65Å; I296-Y489 HydrophobicContact CD1-CD2 4.04Å; I296-Y489 HydrophobicContact CD1-CE1 3.4Å; I296-Y489 VanDerWaalsContact CD1-CE1 3.4Å; I296-Y489 HydrophobicContact CD1-CE2 3.79Å; I296-Y489 HydrophobicContact CD1-CG 3.97Å; I296-Y489 VanDerWaalsContact CD1-CZ 3.48Å; I296-Y489 HydrophobicContact CG2-CE1 4.48Å; F309-Y489 HydrophobicContact CD2-CE1 4.13Å; F309-Y489 HydrophobicContact CE2-CE1 4.3Å; S485-Y489 PolarHBondContact O-N 3.01Å; S485-Y489 VanDerWaalsContact O-N 3.12Å; F486-Y489 WeakPolarHBondContact O-CB 3.25Å; F486-Y489 PolarHBondContact O-N 3.5Å; F486-Y489 VanDerWaalsContact O-N 3.16Å; I487-Y489 PolarHBondContact O-N 3.23Å; Y489-D492 PolarHBondContact O-N 3.17Å; Y489-A493 WeakPolarHBondContact O-CB 3.41Å; Y489-A493 PolarHBondContact O-N 3.41Å
490	V	96.5	Very high	91.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-63	-43.8	179.1	170.8	0	0	0	0	111.6	F149 M252 F309 F486 I487 G488 A493 A494	F149-V490 HydrophobicContact CE2-CG1 4.49Å; F149-V490 HydrophobicContact CZ-CG1 4.04Å; M252-V490 HydrophobicContact CB-CG1 4.46Å; M252-V490 HydrophobicContact CE-CG1 3.71Å; M252-V490 HydrophobicContact CG-CG1 3.57Å; M252-V490 HydrophobicContact SD-CG1 3.88Å; F309-V490 HydrophobicContact CZ-CG2 4.22Å; F486-V490 HydrophobicContact CD1-CG2 3.91Å; F486-V490 HydrophobicContact CE1-CG2 3.75Å; F486-V490 WeakPolarHBondContact O-CG2 3.41Å; F486-V490 PolarHBondContact O-N 3.13Å; I487-V490 PolarHBondContact O-N 3.41Å; G488-V490 PolarHBondContact O-N 2.87Å; V490-A493 PolarHBondContact O-N 2.95Å; V490-A494 WeakPolarHBondContact O-CB 3.27Å; V490-A494 PolarHBondContact O-N 2.99Å
491	I	97.4	Very high	92.9	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.8	-47.5	175.4	-68.8	165.8	0	0	0	110.3	F149 L183 L186 I187 V475 I487 G488 A493 A494 L495	F149-I491 HydrophobicContact CE2-CG1 4.27Å; F149-I491 HydrophobicContact CZ-CG1 3.76Å; L183-I491 HydrophobicContact CD2-CD1 3.66Å; L183-I491 HydrophobicContact CD2-CG1 4.21Å; L186-I491 HydrophobicContact CB-CD1 4.18Å; L186-I491 HydrophobicContact CD1-CD1 3.7Å; I187-I491 HydrophobicContact CD1-CG2 4.32Å; I187-I491 HydrophobicContact CG1-CG2 3.66Å; V475-I491 HydrophobicContact CG2-CB 4.48Å; V475-I491 HydrophobicContact CG2-CG2 4.16Å; I487-I491 HydrophobicContact CD1-CD1 4.26Å; I487-I491 HydrophobicContact CD1-CG1 4.21Å; I487-I491 HydrophobicContact CG1-CD1 3.91Å; I487-I491 HydrophobicContact CG1-CG1 4.35Å; I487-I491 VanDerWaalsContact O-CG1 3.29Å; I487-I491 WeakPolarHBondContact O-CG1 3.33Å; I487-I491 PolarHBondContact O-N 2.99Å; G488-I491 PolarHBondContact O-N 2.86Å; I491-A493 VanDerWaalsContact C-N 3.34Å; I491-A493 PolarHBondContact O-N 3.21Å; I491-A494 PolarHBondContact O-N 3.23Å; I491-L495 HydrophobicContact CG2-CD1 4Å; I491-L495 WeakPolarHBondContact O-CB 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.33Å; I491-L495 PolarHBondContact O-N 3.37Å
492	D	97	Very high	93.5	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-179.8	-83	-46.5	0	0	0	112.7	I470 K474 V475 G488 Y489 N496 R517	I470-D492 HydrophobicContact CG1-CB 4.21Å; I470-D492 HydrophobicContact CG2-CB 3.82Å; K474-D492 WeakPolarHBondContact CA-OD2 3.19Å; K474-D492 WeakPolarHBondContact CG-OD2 3.19Å; V475-D492 PolarHBondContact N-OD2 3.4Å; G488-D492 WeakPolarHBondContact O-CB 3.45Å; G488-D492 PolarHBondContact O-N 3.31Å; Y489-D492 PolarHBondContact O-N 3.17Å; D492-N496 PolarHBondContact O-N 2.89Å; D492-R517 PolarHBondContact O-NH2 3.34Å; D492-R517 IonicContact OD1-CZ 2.64Å; D492-R517 VanDerWaalsContact OD1-CZ 3.28Å; D492-R517 IonicContact OD1-NH1 3.8Å; D492-R517 PolarHBondContact OD1-NH1 3.13Å; D492-R517 IonicContact OD1-NH2 3.58Å; D492-R517 PolarHBondContact OD1-NH2 3.04Å
493	A	97.8	Very high	94.1	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-66.3	-44.6	175.6	0	0	0	0	0	112	F256 L306 I470 Y489 V490 I491 L495 N496 N497	F256-A493 HydrophobicContact CE2-CB 4.27Å; F256-A493 HydrophobicContact CZ-CB 4.16Å; L306-A493 HydrophobicContact CD2-CB 3.75Å; I470-A493 HydrophobicContact CD1-CB 4.32Å; Y489-A493 WeakPolarHBondContact O-CB 3.41Å; Y489-A493 PolarHBondContact O-N 3.41Å; V490-A493 PolarHBondContact O-N 2.95Å; I491-A493 VanDerWaalsContact C-N 3.34Å; I491-A493 PolarHBondContact O-N 3.21Å; A493-L495 VanDerWaalsContact C-N 3.35Å; A493-L495 PolarHBondContact O-N 2.96Å; A493-N496 PolarHBondContact O-N 3.27Å; A493-N497 PolarHBondContact O-N 3.37Å
494	A	98.4	Very high	94.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.4	-41.7	175.6	0	0	0	0	0	111.9	F145 F148 F149 M252 F256 V490 I491 N497 A498	F145-A494 HydrophobicContact CD2-CB 4.41Å; F145-A494 HydrophobicContact CE2-CB 3.96Å; F148-A494 HydrophobicContact CB-CB 3.92Å; F148-A494 HydrophobicContact CD2-CB 4.37Å; F148-A494 HydrophobicContact CG-CB 4.28Å; F149-A494 HydrophobicContact CD2-CB 4.06Å; F149-A494 HydrophobicContact CE2-CB 3.71Å; M252-A494 HydrophobicContact CE-CB 4.24Å; F256-A494 HydrophobicContact CE1-CB 3.98Å; F256-A494 HydrophobicContact CZ-CB 4.16Å; V490-A494 WeakPolarHBondContact O-CB 3.27Å; V490-A494 PolarHBondContact O-N 2.99Å; I491-A494 PolarHBondContact O-N 3.23Å; A494-N497 PolarHBondContact O-N 2.7Å; A494-A498 WeakPolarHBondContact O-CB 3.34Å; A494-A498 PolarHBondContact O-N 3.02Å
495	L	98.4	Very high	94.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.2	-41.8	174.1	-77.9	167.4	0	0	0	112.6	F145 I187 I491 A493 N497 W499 F516 R517 V520	F145-L495 HydrophobicContact CD2-CD2 3.67Å; F145-L495 HydrophobicContact CD2-CG 3.99Å; F145-L495 HydrophobicContact CE2-CD2 3.94Å; F145-L495 HydrophobicContact CE2-CG 3.84Å; F145-L495 HydrophobicContact CG-CD2 4.41Å; I187-L495 HydrophobicContact CB-CD1 4.48Å; I187-L495 HydrophobicContact CD1-CD1 4.37Å; I187-L495 HydrophobicContact CD1-CD2 4.46Å; I187-L495 HydrophobicContact CG1-CD1 3.98Å; I187-L495 HydrophobicContact CG2-CD1 3.86Å; I491-L495 HydrophobicContact CG2-CD1 4Å; I491-L495 WeakPolarHBondContact O-CB 3.3Å; I491-L495 WeakPolarHBondContact O-CG 3.33Å; I491-L495 PolarHBondContact O-N 3.37Å; A493-L495 VanDerWaalsContact C-N 3.35Å; A493-L495 PolarHBondContact O-N 2.96Å; L495-N497 VanDerWaalsContact C-N 3.35Å; L495-W499 VanDerWaalsContact O-CB 3.31Å; L495-W499 WeakPolarHBondContact O-CB 3.21Å; L495-W499 PolarHBondContact O-N 2.76Å; L495-F516 HydrophobicContact CD2-CE1 4.29Å; L495-R517 HydrophobicContact CD1-CG 4.09Å; L495-R517 HydrophobicContact CD2-CG 4.2Å; L495-V520 HydrophobicContact CD2-CB 4.42Å; L495-V520 HydrophobicContact CD2-CG1 4.37Å; L495-V520 HydrophobicContact CD2-CG2 4.34Å
496	N	97.8	Very high	94.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.05	C	C	.	.	H	α-helix	trans	-60.8	-46.1	174.2	167.9	81.7	0	0	0	110.8	G304 N469 I470 D492 A493 W499 Q500	G304-N496 PolarHBondContact O-ND2 2.89Å; N469-N496 WeakPolarHBondContact CB-OD1 3.25Å; N469-N496 PolarHBondContact ND2-OD1 3.32Å; I470-N496 HydrophobicContact CG1-CB 4.39Å; D492-N496 PolarHBondContact O-N 2.89Å; A493-N496 PolarHBondContact O-N 3.27Å; N496-W499 PolarHBondContact O-N 2.67Å; N496-Q500 WeakPolarHBondContact O-CG 3.34Å; N496-Q500 PolarHBondContact O-N 3.39Å
497	N	98.4	Very high	94.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.3	-48	178.8	-77.3	6.2	0	0	0	112.2	F148 F256 Y305 L306 A493 A494 L495 W499 Q500 L501	F148-N497 HydrophobicContact CE1-CB 4.19Å; F148-N497 HydrophobicContact CE2-CB 3.81Å; F148-N497 HydrophobicContact CZ-CB 3.59Å; F256-N497 WeakPolarHBondContact CD1-ND2 3.33Å; Y305-N497 HydrophobicContact CD2-CB 3.84Å; Y305-N497 HydrophobicContact CE2-CB 3.49Å; Y305-N497 VanDerWaalsContact CE2-CB 3.49Å; L306-N497 PolarHBondContact N-OD1 2.86Å; L306-N497 PolarHBondContact O-ND2 3.3Å; A493-N497 PolarHBondContact O-N 3.37Å; A494-N497 PolarHBondContact O-N 2.7Å; L495-N497 VanDerWaalsContact C-N 3.35Å; N497-W499 VanDerWaalsContact C-N 3.31Å; N497-W499 PolarHBondContact O-N 2.86Å; N497-Q500 PolarHBondContact O-N 3.03Å; N497-Q500 VanDerWaalsContact O-N 3.12Å; N497-L501 PolarHBondContact O-N 3.16Å
498	A	97.9	Very high	93.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.5	-41.8	177.5	0	0	0	0	0	111.9	L144 F145 F148 A494 L501 H502 F516	L144-A498 HydrophobicContact CB-CB 4.24Å; F145-A498 HydrophobicContact CB-CB 4.27Å; F148-A498 HydrophobicContact CD2-CB 4.14Å; F148-A498 HydrophobicContact CE2-CB 3.81Å; A494-A498 WeakPolarHBondContact O-CB 3.34Å; A494-A498 PolarHBondContact O-N 3.02Å; A498-L501 PolarHBondContact O-N 3.18Å; A498-H502 PolarHBondContact O-N 3.34Å; A498-F516 HydrophobicContact CB-CE1 3.83Å; A498-F516 HydrophobicContact CB-CZ 3.63Å
499	W	97.4	Very high	92.2	Very high	29 Å²	29	27.7 Å²	27.7	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-36.5	175.3	178.6	70.6	0	0	0	112.9	L495 N496 N497 H502 R503 V511 L513 F516	L495-W499 VanDerWaalsContact O-CB 3.31Å; L495-W499 WeakPolarHBondContact O-CB 3.21Å; L495-W499 PolarHBondContact O-N 2.76Å; N496-W499 PolarHBondContact O-N 2.67Å; N497-W499 VanDerWaalsContact C-N 3.31Å; N497-W499 PolarHBondContact O-N 2.86Å; W499-H502 WeakPolarHBondContact O-CB 3.37Å; W499-H502 PolarHBondContact O-N 3.35Å; W499-R503 VanDerWaalsContact CZ2-CD 3.47Å; W499-R503 HydrophobicContact CZ2-CG 4.42Å; W499-R503 WeakPolarHBondContact O-CG 3.4Å; W499-R503 PolarHBondContact O-N 2.99Å; W499-V511 PolarHBondContact NE1-O 2.95Å; W499-L513 HydrophobicContact CB-CD1 3.8Å; W499-L513 HydrophobicContact CD2-CB 4.14Å; W499-L513 HydrophobicContact CD2-CD1 3.79Å; W499-L513 HydrophobicContact CE3-CD1 4.11Å; W499-L513 HydrophobicContact CG-CB 4.5Å; W499-L513 HydrophobicContact CG-CD1 3.66Å; W499-L513 HydrophobicContact CZ2-CB 4.13Å; W499-F516 HydrophobicContact CB-CD1 4.08Å; W499-F516 HydrophobicContact CB-CD2 4.4Å; W499-F516 HydrophobicContact CB-CE1 4.34Å; W499-F516 HydrophobicContact CB-CG 4.13Å; W499-F516 AromaticContact CD1-CD2 3.98Å; W499-F516 AromaticContact CD1-CG 3.83Å; W499-F516 HydrophobicContact CG-CG 4.38Å
500	Q	96.3	Very high	91.6	Very high	4 Å²	4	32 Å²	32	2%	0.019	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-41.3	173.9	-66.3	-77.6	-1.9	0	0	111.2	R303 Y305 N496 N497 R503 I504	R303-Q500 PolarHBondContact O-NE2 2.8Å; Y305-Q500 HydrophobicContact CD2-CB 4.17Å; N496-Q500 WeakPolarHBondContact O-CG 3.34Å; N496-Q500 PolarHBondContact O-N 3.39Å; N497-Q500 PolarHBondContact O-N 3.03Å; N497-Q500 VanDerWaalsContact O-N 3.12Å; Q500-R503 PolarHBondContact O-N 3.41Å; Q500-I504 WeakPolarHBondContact O-CG1 3.37Å; Q500-I504 PolarHBondContact O-N 3.07Å; Q500-I504 VanDerWaalsContact O-N 3.16Å
501	L	96	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-43.2	173.3	-67.9	-179.3	0	0	0	111.7	I131 L134 L144 L147 F148 H259 P261 Y305 N497 A498 R503 I504 C505	I131-L501 HydrophobicContact CD1-CD2 3.76Å; L134-L501 HydrophobicContact CD1-CD1 4.42Å; L144-L501 HydrophobicContact CD2-CB 4.22Å; L147-L501 HydrophobicContact CD1-CD1 3.97Å; F148-L501 HydrophobicContact CE2-CD1 4.24Å; F148-L501 HydrophobicContact CZ-CD1 3.79Å; H259-L501 HydrophobicContact CB-CD1 4.17Å; P261-L501 HydrophobicContact CG-CD2 4.01Å; Y305-L501 HydrophobicContact CD2-CG 4.49Å; Y305-L501 HydrophobicContact CE2-CD1 4.25Å; Y305-L501 HydrophobicContact CE2-CD2 4.11Å; Y305-L501 HydrophobicContact CE2-CG 3.94Å; N497-L501 PolarHBondContact O-N 3.16Å; A498-L501 PolarHBondContact O-N 3.18Å; L501-R503 VanDerWaalsContact C-N 3.26Å; L501-R503 PolarHBondContact O-N 3.49Å; L501-I504 PolarHBondContact O-N 2.92Å; L501-C505 WeakPolarHBondContact O-CB 3.36Å; L501-C505 PolarHBondContact O-N 3.29Å; L501-C505 PolarHBondContact O-SG 2.89Å
502	H	94.9	Very high	91	Very high	11 Å²	11	39.4 Å²	39.4	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-55.4	-43.2	174.7	-179.1	-85.6	0	0	0	111.7	L144 A498 W499 I504 C505 C506 A509 F516	L144-H502 HydrophobicContact CD1-CB 3.56Å; A498-H502 PolarHBondContact O-N 3.34Å; W499-H502 WeakPolarHBondContact O-CB 3.37Å; W499-H502 PolarHBondContact O-N 3.35Å; H502-I504 VanDerWaalsContact C-N 3.27Å; H502-I504 PolarHBondContact O-N 2.65Å; H502-C505 PolarHBondContact O-N 2.87Å; H502-C506 WeakPolarHBondContact O-CA 3.49Å; H502-C506 WeakPolarHBondContact O-CB 3.26Å; H502-C506 PolarHBondContact O-N 3.16Å; H502-A509 PolarHBondContact CE1-O 3.24Å; H502-A509 VanDerWaalsContact CE1-O 3.27Å; H502-F516 HydrophobicContact CB-CD2 4.11Å; H502-F516 HydrophobicContact CB-CE2 3.72Å; H502-F516 AromaticContact CG-CE2 3.98Å
503	R	93.2	Very high	90.9	Very high	68 Å²	68	40 Å²	40	26%	0.257	21%	0.213	S	C	.	.	H	α-helix	trans	-68.2	-26	177.8	-68.9	175.1	69.4	-155.7	4.1	113.8	R303 W499 Q500 L501 Q510	R303-R503 VanDerWaalsContact NH2-CZ 3.32Å; W499-R503 VanDerWaalsContact CZ2-CD 3.47Å; W499-R503 HydrophobicContact CZ2-CG 4.42Å; W499-R503 WeakPolarHBondContact O-CG 3.4Å; W499-R503 PolarHBondContact O-N 2.99Å; Q500-R503 PolarHBondContact O-N 3.41Å; L501-R503 VanDerWaalsContact C-N 3.26Å; L501-R503 PolarHBondContact O-N 3.49Å; R503-Q510 PolarHBondContact O-NE2 3.3Å
504	I	91.6	Very high	90.9	Very high	26 Å²	26	42.2 Å²	42.2	13%	0.133	23%	0.225	C	C	.	.	H	α-helix	trans	-80.4	-42.6	176.6	-68.1	165.7	0	0	0	110	I131 P261 Q500 L501 H502	I131-I504 HydrophobicContact CG2-CG2 3.64Å; P261-I504 HydrophobicContact CB-CD1 4.19Å; P261-I504 HydrophobicContact CG-CD1 3.51Å; Q500-I504 WeakPolarHBondContact O-CG1 3.37Å; Q500-I504 PolarHBondContact O-N 3.07Å; Q500-I504 VanDerWaalsContact O-N 3.16Å; L501-I504 PolarHBondContact O-N 2.92Å; H502-I504 VanDerWaalsContact C-N 3.27Å; H502-I504 PolarHBondContact O-N 2.65Å
505	C	89.6	Confident	90.7	Very high	25 Å²	25	44 Å²	44	17%	0.169	24%	0.239	C	C	.	.	H	α-helix	trans	-84.9	-36.5	-172.5	-56.1	0	0	0	0	113.1	K135 L501 H502	K135-C505 HydrophobicContact CG-CB 3.95Å; L501-C505 WeakPolarHBondContact O-CB 3.36Å; L501-C505 PolarHBondContact O-N 3.29Å; L501-C505 PolarHBondContact O-SG 2.89Å; H502-C505 PolarHBondContact O-N 2.87Å
506	C	83.1	Confident	90.6	Very high	30 Å²	30	44 Å²	44	20%	0.203	24%	0.239	C	C	.	.			trans	-115.5	72	-172.9	-52.1	0	0	0	0	110.2	H502 D508 Q510	H502-C506 WeakPolarHBondContact O-CA 3.49Å; H502-C506 WeakPolarHBondContact O-CB 3.26Å; H502-C506 PolarHBondContact O-N 3.16Å; C506-D508 VanDerWaalsContact C-N 3.35Å; C506-D508 PolarHBondContact O-N 3.24Å; C506-Q510 WeakPolarHBondContact O-CG 3.43Å; C506-Q510 PolarHBondContact O-N 3.11Å
507	Q	75.2	Confident	90.6	Very high	138 Å²	138	43.9 Å²	43.9	65%	0.645	24%	0.238	S	C	*	.	S	Bend	trans	-67.3	-34	-177.2	-67.7	-173.7	10.7	0	0	113.1
508	D	71.8	Confident	90.5	Very high	177 Å²	177	50.1 Å²	50.1	95%	0.947	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-13.6	-176.3	-58.4	-47	0	0	0	113.9	C506	C506-D508 VanDerWaalsContact C-N 3.35Å; C506-D508 PolarHBondContact O-N 3.24Å
509	A	74.4	Confident	90.4	Very high	66 Å²	66	54.1 Å²	54.1	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	35.2	-176.9	0	0	0	0	0	112.3	H502 V511	H502-A509 PolarHBondContact CE1-O 3.24Å; H502-A509 VanDerWaalsContact CE1-O 3.27Å; A509-V511 PolarHBondContact O-N 3.05Å
510	Q	79.6	Confident	90.4	Very high	98 Å²	98	52.7 Å²	52.7	46%	0.458	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-63.2	122.6	-177.4	-70.6	-168.2	2.3	0	0	112	R503 C506	R503-Q510 PolarHBondContact O-NE2 3.3Å; C506-Q510 WeakPolarHBondContact O-CG 3.43Å; C506-Q510 PolarHBondContact O-N 3.11Å
511	V	89.4	Confident	90.4	Very high	52 Å²	52	52.5 Å²	52.5	32%	0.315	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-98.6	149.7	169.1	-61.2	0	0	0	0	110.4	W499 A509 A515 F516	W499-V511 PolarHBondContact NE1-O 2.95Å; A509-V511 PolarHBondContact O-N 3.05Å; V511-A515 HydrophobicContact CB-CB 4.05Å; V511-F516 HydrophobicContact CG2-CB 3.88Å; V511-F516 HydrophobicContact CG2-CD2 4.12Å
512	D	93.8	Very high	90.4	Very high	102 Å²	102	54.2 Å²	54.2	55%	0.545	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67.1	166	170.4	73.6	44.9	0	0	0	111.5	L514 A515 F516	D512-L514 VanDerWaalsContact C-N 3.25Å; D512-L514 PolarHBondContact O-N 3.09Å; D512-L514 WeakPolarHBondContact OD1-CA 3.41Å; D512-L514 WeakPolarHBondContact OD1-CB 3.37Å; D512-L514 PolarHBondContact OD1-N 2.89Å; D512-A515 PolarHBondContact O-N 3.26Å; D512-A515 WeakPolarHBondContact OD1-CB 3.13Å; D512-A515 PolarHBondContact OD1-N 3.12Å; D512-F516 WeakPolarHBondContact O-CB 3.35Å; D512-F516 PolarHBondContact O-N 3.31Å
513	L	94.8	Very high	90.4	Very high	12 Å²	12	55.8 Å²	55.8	6%	0.063	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-32	-176.6	180	62.7	0	0	0	112.8	N469 Y473 W499 R517	N469-L513 HydrophobicContact CB-CD2 4Å; Y473-L513 HydrophobicContact CD2-CD2 3.97Å; Y473-L513 HydrophobicContact CD2-CG 3.98Å; Y473-L513 HydrophobicContact CE2-CB 4.24Å; Y473-L513 HydrophobicContact CE2-CD2 4.21Å; Y473-L513 HydrophobicContact CE2-CG 4.15Å; W499-L513 HydrophobicContact CB-CD1 3.8Å; W499-L513 HydrophobicContact CD2-CB 4.14Å; W499-L513 HydrophobicContact CD2-CD1 3.79Å; W499-L513 HydrophobicContact CE3-CD1 4.11Å; W499-L513 HydrophobicContact CG-CB 4.5Å; W499-L513 HydrophobicContact CG-CD1 3.66Å; W499-L513 HydrophobicContact CZ2-CB 4.13Å; L513-R517 HydrophobicContact CD1-CG 4.44Å; L513-R517 WeakPolarHBondContact O-CB 3.24Å; L513-R517 VanDerWaalsContact O-CG 3.27Å; L513-R517 WeakPolarHBondContact O-CG 3.41Å; L513-R517 PolarHBondContact O-N 2.96Å; L513-R517 VanDerWaalsContact O-N 3.12Å
514	L	96	Very high	90.4	Very high	48 Å²	48	52.7 Å²	52.7	25%	0.251	28%	0.281	S	S	.	.	H	α-helix	trans	-72.7	-47.9	179.9	178.9	55.5	0	0	0	110.6	Y191 Y473 D512 F516 R517 R518	Y191-L514 HydrophobicContact CD1-CD1 4.16Å; Y191-L514 HydrophobicContact CD2-CD1 4.29Å; Y191-L514 HydrophobicContact CG-CD1 3.74Å; Y473-L514 HydrophobicContact CD1-CD1 4Å; Y473-L514 HydrophobicContact CE1-CB 4.2Å; Y473-L514 HydrophobicContact CE1-CD1 3.81Å; Y473-L514 HydrophobicContact CE1-CD2 4.2Å; Y473-L514 HydrophobicContact CE1-CG 4.28Å; Y473-L514 HydrophobicContact CE2-CB 3.8Å; Y473-L514 HydrophobicContact CG-CD1 4.48Å; D512-L514 VanDerWaalsContact C-N 3.25Å; D512-L514 PolarHBondContact O-N 3.09Å; D512-L514 WeakPolarHBondContact OD1-CA 3.41Å; D512-L514 WeakPolarHBondContact OD1-CB 3.37Å; D512-L514 PolarHBondContact OD1-N 2.89Å; L514-F516 VanDerWaalsContact C-N 3.29Å; L514-F516 PolarHBondContact O-N 3.39Å; L514-R517 PolarHBondContact O-N 3.28Å; L514-R518 HydrophobicContact CD1-CG 4.06Å; L514-R518 HydrophobicContact CG-CG 4.35Å; L514-R518 WeakPolarHBondContact O-CB 3.08Å; L514-R518 VanDerWaalsContact O-CG 3.29Å; L514-R518 WeakPolarHBondContact O-CG 3.49Å; L514-R518 PolarHBondContact O-N 2.95Å
515	A	95.7	Very high	90.6	Very high	36 Å²	36	51.4 Å²	51.4	30%	0.298	28%	0.275	S	S	.	.	H	α-helix	trans	-57.9	-43.4	176.4	0	0	0	0	0	111.1	V511 D512 R518 Y519	V511-A515 HydrophobicContact CB-CB 4.05Å; D512-A515 PolarHBondContact O-N 3.26Å; D512-A515 WeakPolarHBondContact OD1-CB 3.13Å; D512-A515 PolarHBondContact OD1-N 3.12Å; A515-R518 PolarHBondContact O-N 2.91Å; A515-Y519 PolarHBondContact O-N 3.05Å
516	F	96.6	Very high	90.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-56.6	-52	173.6	-172.1	-85	0	0	0	112	P141 L144 L495 A498 W499 H502 V511 D512 L514 R518 Y519 V520	P141-F516 HydrophobicContact CB-CD2 3.68Å; P141-F516 HydrophobicContact CB-CE2 3.46Å; P141-F516 VanDerWaalsContact CB-CE2 3.46Å; P141-F516 HydrophobicContact CB-CG 4.31Å; P141-F516 HydrophobicContact CB-CZ 3.91Å; P141-F516 HydrophobicContact CG-CD2 4.17Å; P141-F516 HydrophobicContact CG-CE2 4.17Å; P141-F516 VanDerWaalsContact O-CZ 3.29Å; P141-F516 WeakPolarHBondContact O-CZ 3.03Å; L144-F516 HydrophobicContact CB-CZ 4.4Å; L144-F516 HydrophobicContact CD1-CE2 4.43Å; L495-F516 HydrophobicContact CD2-CE1 4.29Å; A498-F516 HydrophobicContact CB-CE1 3.83Å; A498-F516 HydrophobicContact CB-CZ 3.63Å; W499-F516 HydrophobicContact CB-CD1 4.08Å; W499-F516 HydrophobicContact CB-CD2 4.4Å; W499-F516 HydrophobicContact CB-CE1 4.34Å; W499-F516 HydrophobicContact CB-CG 4.13Å; W499-F516 AromaticContact CD1-CD2 3.98Å; W499-F516 AromaticContact CD1-CG 3.83Å; W499-F516 HydrophobicContact CG-CG 4.38Å; H502-F516 HydrophobicContact CB-CD2 4.11Å; H502-F516 HydrophobicContact CB-CE2 3.72Å; H502-F516 AromaticContact CG-CE2 3.98Å; V511-F516 HydrophobicContact CG2-CB 3.88Å; V511-F516 HydrophobicContact CG2-CD2 4.12Å; D512-F516 WeakPolarHBondContact O-CB 3.35Å; D512-F516 PolarHBondContact O-N 3.31Å; L514-F516 VanDerWaalsContact C-N 3.29Å; L514-F516 PolarHBondContact O-N 3.39Å; F516-R518 PolarHBondContact O-N 3.36Å; F516-Y519 WeakPolarHBondContact O-CB 3.32Å; F516-Y519 PolarHBondContact O-N 3.38Å; F516-V520 HydrophobicContact CD1-CG2 4.29Å; F516-V520 HydrophobicContact CE1-CG2 3.94Å; F516-V520 HydrophobicContact CZ-CG2 4.48Å; F516-V520 WeakPolarHBondContact O-CG2 3.2Å; F516-V520 PolarHBondContact O-N 3.45Å
517	R	96.9	Very high	90.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-41.2	-179.7	-74.9	179	168.7	-128.1	-4.7	112.7	I187 Y473 D492 L495 L513 L514 Y519 V520 A521	I187-R517 HydrophobicContact CG2-CB 4.41Å; Y473-R517 VanDerWaalsContact C-NH1 3.3Å; Y473-R517 VanDerWaalsContact CB-NH1 3.35Å; Y473-R517 PolarHBondContact O-NH1 3.27Å; D492-R517 PolarHBondContact O-NH2 3.34Å; D492-R517 IonicContact OD1-CZ 2.64Å; D492-R517 VanDerWaalsContact OD1-CZ 3.28Å; D492-R517 IonicContact OD1-NH1 3.8Å; D492-R517 PolarHBondContact OD1-NH1 3.13Å; D492-R517 IonicContact OD1-NH2 3.58Å; D492-R517 PolarHBondContact OD1-NH2 3.04Å; L495-R517 HydrophobicContact CD1-CG 4.09Å; L495-R517 HydrophobicContact CD2-CG 4.2Å; L513-R517 HydrophobicContact CD1-CG 4.44Å; L513-R517 WeakPolarHBondContact O-CB 3.24Å; L513-R517 VanDerWaalsContact O-CG 3.27Å; L513-R517 WeakPolarHBondContact O-CG 3.41Å; L513-R517 PolarHBondContact O-N 2.96Å; L513-R517 VanDerWaalsContact O-N 3.12Å; L514-R517 PolarHBondContact O-N 3.28Å; R517-Y519 VanDerWaalsContact C-N 3.34Å; R517-V520 PolarHBondContact O-N 2.83Å; R517-A521 WeakPolarHBondContact O-CB 3.27Å; R517-A521 PolarHBondContact O-N 3.45Å
518	R	96.3	Very high	90.5	Very high	131 Å²	131	46.9 Å²	46.9	49%	0.494	25%	0.253	S	S	.	.	H	α-helix	trans	-59.6	-45.6	176.1	-75.2	176.9	68	-155.5	-1.8	110.8	Y191 L514 A515 F516 V520 A521 C522	Y191-R518 HydrophobicContact CD1-CG 4.45Å; Y191-R518 HydrophobicContact CD2-CG 4.13Å; Y191-R518 HydrophobicContact CE1-CG 4.04Å; Y191-R518 HydrophobicContact CE2-CG 3.75Å; Y191-R518 HydrophobicContact CG-CG 4.49Å; L514-R518 HydrophobicContact CD1-CG 4.06Å; L514-R518 HydrophobicContact CG-CG 4.35Å; L514-R518 WeakPolarHBondContact O-CB 3.08Å; L514-R518 VanDerWaalsContact O-CG 3.29Å; L514-R518 WeakPolarHBondContact O-CG 3.49Å; L514-R518 PolarHBondContact O-N 2.95Å; A515-R518 PolarHBondContact O-N 2.91Å; F516-R518 PolarHBondContact O-N 3.36Å; R518-V520 PolarHBondContact O-N 3Å; R518-A521 PolarHBondContact O-N 3.43Å; R518-C522 WeakPolarHBondContact O-CB 3.32Å; R518-C522 PolarHBondContact O-N 3.4Å; R518-C522 PolarHBondContact O-SG 3.44Å
519	Y	95.9	Very high	90.1	Very high	83 Å²	83	39 Å²	39	33%	0.325	21%	0.213	S	C	.	.	H	α-helix	trans	-57.7	-51.5	177.6	-173.4	-80.5	0	0	0	111.6	P141 V142 A515 F516 R517 A521 C522 V523	P141-Y519 HydrophobicContact CB-CD1 3.61Å; P141-Y519 HydrophobicContact CB-CE1 4.21Å; P141-Y519 HydrophobicContact CB-CG 4.11Å; P141-Y519 HydrophobicContact CG-CD1 3.86Å; P141-Y519 HydrophobicContact CG-CE1 4.23Å; P141-Y519 HydrophobicContact CG-CG 4.06Å; V142-Y519 HydrophobicContact CB-CE1 4.31Å; V142-Y519 HydrophobicContact CG1-CE1 4.1Å; A515-Y519 PolarHBondContact O-N 3.05Å; F516-Y519 WeakPolarHBondContact O-CB 3.32Å; F516-Y519 PolarHBondContact O-N 3.38Å; R517-Y519 VanDerWaalsContact C-N 3.34Å; Y519-A521 PolarHBondContact O-N 3.16Å; Y519-C522 PolarHBondContact O-N 2.87Å; Y519-V523 HydrophobicContact CD1-CG2 4.03Å; Y519-V523 HydrophobicContact CE1-CG2 3.68Å; Y519-V523 WeakPolarHBondContact O-CG2 3.32Å; Y519-V523 PolarHBondContact O-N 3.23Å; Y519-V523 VanDerWaalsContact O-N 3.07Å
520	V	97.2	Very high	89.1	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-47.5	179.5	178.8	0	0	0	0	111.2	P141 F145 I187 L495 F516 R517 R518 V523 Y524	P141-V520 HydrophobicContact CB-CG2 4.28Å; F145-V520 HydrophobicContact CB-CG1 4.19Å; F145-V520 HydrophobicContact CB-CG2 4.18Å; F145-V520 HydrophobicContact CD1-CG1 3.76Å; F145-V520 HydrophobicContact CE1-CG1 4.3Å; F145-V520 HydrophobicContact CG-CG1 3.91Å; I187-V520 HydrophobicContact CD1-CG1 3.86Å; L495-V520 HydrophobicContact CD2-CB 4.42Å; L495-V520 HydrophobicContact CD2-CG1 4.37Å; L495-V520 HydrophobicContact CD2-CG2 4.34Å; F516-V520 HydrophobicContact CD1-CG2 4.29Å; F516-V520 HydrophobicContact CE1-CG2 3.94Å; F516-V520 HydrophobicContact CZ-CG2 4.48Å; F516-V520 WeakPolarHBondContact O-CG2 3.2Å; F516-V520 PolarHBondContact O-N 3.45Å; R517-V520 PolarHBondContact O-N 2.83Å; R518-V520 PolarHBondContact O-N 3Å; V520-V523 PolarHBondContact O-N 3.01Å; V520-Y524 PolarHBondContact O-N 3.2Å
521	A	97	Very high	87.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-46.8	178.9	0	0	0	0	0	112.4	I187 L188 Y191 R517 R518 Y519 V523 Y524 L525	I187-A521 HydrophobicContact CB-CB 4.23Å; I187-A521 HydrophobicContact CG2-CB 3.92Å; L188-A521 HydrophobicContact CB-CB 4.22Å; Y191-A521 HydrophobicContact CE1-CB 4.32Å; Y191-A521 WeakPolarHBondContact OH-CB 3.37Å; R517-A521 WeakPolarHBondContact O-CB 3.27Å; R517-A521 PolarHBondContact O-N 3.45Å; R518-A521 PolarHBondContact O-N 3.43Å; Y519-A521 PolarHBondContact O-N 3.16Å; A521-V523 PolarHBondContact O-N 2.69Å; A521-Y524 PolarHBondContact O-N 2.76Å; A521-L525 VanDerWaalsContact O-CG 3.22Å; A521-L525 WeakPolarHBondContact O-CG 3.28Å; A521-L525 PolarHBondContact O-N 3.29Å; A521-L525 VanDerWaalsContact O-N 3.07Å
522	C	95.3	Very high	85.9	Confident	35 Å²	35	39.6 Å²	39.6	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-46.7	179.7	-68.5	0	0	0	0	111.7	L211 R518 Y519 Y524 L525 E526	L211-C522 HydrophobicContact CD2-CB 4.47Å; R518-C522 WeakPolarHBondContact O-CB 3.32Å; R518-C522 PolarHBondContact O-N 3.4Å; R518-C522 PolarHBondContact O-SG 3.44Å; Y519-C522 PolarHBondContact O-N 2.87Å; C522-Y524 VanDerWaalsContact C-N 3.33Å; C522-Y524 PolarHBondContact O-N 3.48Å; C522-L525 PolarHBondContact O-N 3.25Å; C522-E526 VanDerWaalsContact O-CB 3.32Å; C522-E526 WeakPolarHBondContact O-CB 3.3Å; C522-E526 VanDerWaalsContact O-CG 3.25Å; C522-E526 WeakPolarHBondContact O-CG 3.38Å; C522-E526 PolarHBondContact O-N 2.66Å
523	V	94.3	Very high	83.6	Confident	44 Å²	44	37.8 Å²	37.8	27%	0.267	21%	0.21	S	C	.	.	H	α-helix	trans	-59.9	-43.6	179.6	173.9	0	0	0	0	111.8	V142 Y519 V520 A521 L525 S527	V142-V523 HydrophobicContact CB-CB 4.49Å; V142-V523 HydrophobicContact CB-CG1 4.39Å; V142-V523 HydrophobicContact CG1-CG1 4.17Å; V142-V523 HydrophobicContact CG2-CB 4.44Å; V142-V523 HydrophobicContact CG2-CG1 4.11Å; Y519-V523 HydrophobicContact CD1-CG2 4.03Å; Y519-V523 HydrophobicContact CE1-CG2 3.68Å; Y519-V523 WeakPolarHBondContact O-CG2 3.32Å; Y519-V523 PolarHBondContact O-N 3.23Å; Y519-V523 VanDerWaalsContact O-N 3.07Å; V520-V523 PolarHBondContact O-N 3.01Å; A521-V523 PolarHBondContact O-N 2.69Å; V523-L525 VanDerWaalsContact C-N 3.33Å; V523-L525 PolarHBondContact O-N 3.46Å; V523-S527 WeakPolarHBondContact O-CB 3.15Å; V523-S527 PolarHBondContact O-N 3.28Å; V523-S527 VanDerWaalsContact O-N 3.16Å; V523-S527 PolarHBondContact O-OG 2.83Å
524	Y	95	Very high	81.1	Confident	3 Å²	3	46.7 Å²	46.7	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-65.8	-34.6	179.1	-85.3	17.8	0	0	0	113	V142 F145 E146 K180 L183 V520 A521 C522 S527	V142-Y524 HydrophobicContact CG2-CD1 3.92Å; V142-Y524 HydrophobicContact CG2-CE1 3.45Å; V142-Y524 VanDerWaalsContact CG2-CE1 3.45Å; F145-Y524 HydrophobicContact CD1-CE2 4.2Å; F145-Y524 AromaticContact CD1-CZ 3.97Å; F145-Y524 AromaticContact CE1-CE2 3.72Å; F145-Y524 HydrophobicContact CE1-CE2 3.72Å; F145-Y524 AromaticContact CE1-CZ 3.9Å; E146-Y524 HydrophobicContact CG-CE1 4.44Å; E146-Y524 VanDerWaalsContact CG-OH 3.23Å; E146-Y524 WeakPolarHBondContact CG-OH 3.15Å; E146-Y524 WeakPolarHBondContact OE1-CE1 3.48Å; E146-Y524 PolarHBondContact OE1-OH 3.14Å; E146-Y524 VanDerWaalsContact OE1-OH 3.08Å; K180-Y524 HydrophobicContact CB-CD2 4.07Å; K180-Y524 HydrophobicContact CB-CE2 4.23Å; K180-Y524 HydrophobicContact CB-CG 4.2Å; K180-Y524 HydrophobicContact CD-CE1 4.13Å; K180-Y524 HydrophobicContact CG-CE1 4.45Å; K180-Y524 HydrophobicContact CG-CE2 4.21Å; K180-Y524 WeakPolarHBondContact O-CB 3.19Å; K180-Y524 WeakPolarHBondContact O-CD2 3.43Å; L183-Y524 HydrophobicContact CB-CD2 4.08Å; L183-Y524 HydrophobicContact CB-CE2 4.15Å; L183-Y524 HydrophobicContact CD1-CE2 4.31Å; V520-Y524 PolarHBondContact O-N 3.2Å; A521-Y524 PolarHBondContact O-N 2.76Å; C522-Y524 VanDerWaalsContact C-N 3.33Å; C522-Y524 PolarHBondContact O-N 3.48Å; Y524-S527 PolarHBondContact O-OG 3.29Å
525	L	94.1	Very high	78.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-80.1	-42.1	179.3	-65	172.2	0	0	0	112.3	I185 L188 L211 V212 A215 A521 C522 V523 S527 A529	I185-L525 HydrophobicContact CD1-CD2 4.44Å; I185-L525 HydrophobicContact CG1-CD2 3.53Å; L188-L525 HydrophobicContact CB-CD1 4.38Å; L188-L525 HydrophobicContact CD1-CD1 3.76Å; L211-L525 HydrophobicContact CD1-CB 3.85Å; L211-L525 HydrophobicContact CD2-CB 4.39Å; L211-L525 HydrophobicContact CD2-CD1 3.72Å; L211-L525 HydrophobicContact CG-CB 3.77Å; L211-L525 HydrophobicContact CG-CD1 3.68Å; L211-L525 HydrophobicContact CG-CG 4.36Å; V212-L525 HydrophobicContact CG2-CD1 4.21Å; A215-L525 HydrophobicContact CB-CB 4.16Å; A215-L525 HydrophobicContact CB-CD2 4.08Å; A215-L525 VanDerWaalsContact CB-O 3.25Å; A215-L525 WeakPolarHBondContact CB-O 3.24Å; A521-L525 VanDerWaalsContact O-CG 3.22Å; A521-L525 WeakPolarHBondContact O-CG 3.28Å; A521-L525 PolarHBondContact O-N 3.29Å; A521-L525 VanDerWaalsContact O-N 3.07Å; C522-L525 PolarHBondContact O-N 3.25Å; V523-L525 VanDerWaalsContact C-N 3.33Å; V523-L525 PolarHBondContact O-N 3.46Å; L525-S527 PolarHBondContact O-N 3.23Å; L525-A529 PolarHBondContact O-N 3.37Å
526	E	88.8	Confident	75.5	Confident	42 Å²	42	57.9 Å²	57.9	20%	0.196	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-40.7	-179.3	-72.9	173.4	-168.1	0	0	112	L211 C522 N528 A529 T543 S545	L211-E526 HydrophobicContact CD1-CG 3.73Å; C522-E526 VanDerWaalsContact O-CB 3.32Å; C522-E526 WeakPolarHBondContact O-CB 3.3Å; C522-E526 VanDerWaalsContact O-CG 3.25Å; C522-E526 WeakPolarHBondContact O-CG 3.38Å; C522-E526 PolarHBondContact O-N 2.66Å; E526-N528 PolarHBondContact O-N 3.01Å; E526-N528 VanDerWaalsContact O-N 3.11Å; E526-A529 PolarHBondContact O-N 2.91Å; E526-A529 VanDerWaalsContact O-N 3.1Å; E526-T543 HydrophobicContact CG-CG2 4.35Å; E526-T543 WeakPolarHBondContact OE1-CG2 3.14Å; E526-S545 PolarHBondContact OE2-OG 2.78Å; E526-S545 VanDerWaalsContact OE2-OG 3.11Å
527	S	80.5	Confident	72.8	Confident	44 Å²	44	68.1 Å²	68.1	31%	0.308	34%	0.34	S	S	.	.	H	α-helix	trans	-61.2	-23.3	-175.6	50.6	0	0	0	0	114.4	Q177 V523 Y524 L525	Q177-S527 VanDerWaalsContact NE2-CB 3.35Å; Q177-S527 PolarHBondContact NE2-OG 3Å; V523-S527 WeakPolarHBondContact O-CB 3.15Å; V523-S527 PolarHBondContact O-N 3.28Å; V523-S527 VanDerWaalsContact O-N 3.16Å; V523-S527 PolarHBondContact O-OG 2.83Å; Y524-S527 PolarHBondContact O-OG 3.29Å; L525-S527 PolarHBondContact O-N 3.23Å
528	N	77.2	Confident	70	Confident	11 Å²	11	73.3 Å²	73.3	6%	0.059	38%	0.376	C	S	.	.	H	α-helix	trans	-99.8	-18.1	176	-161.1	57.9	0	0	0	114.5	Q177 C181 A215 E526 D530 T531 T532	Q177-N528 HydrophobicContact CG-CB 4.15Å; Q177-N528 VanDerWaalsContact CG-OD1 3.27Å; Q177-N528 WeakPolarHBondContact CG-OD1 3.38Å; C181-N528 WeakPolarHBondContact SG-CB 2.98Å; C181-N528 PolarHBondContact SG-ND2 2.95Å; C181-N528 VanDerWaalsContact SG-ND2 3.41Å; A215-N528 PolarHBondContact O-ND2 2.83Å; E526-N528 PolarHBondContact O-N 3.01Å; E526-N528 VanDerWaalsContact O-N 3.11Å; N528-D530 PolarHBondContact O-N 3.18Å; N528-T531 PolarHBondContact O-N 3.29Å; N528-T531 PolarHBondContact O-OG1 3.45Å; N528-T531 PolarHBondContact OD1-OG1 3.38Å; N528-T531 VanDerWaalsContact OD1-OG1 3.1Å; N528-T532 PolarHBondContact O-N 3.44Å; N528-T532 PolarHBondContact O-OG1 3.49Å
529	A	62.8	Low	67.4	Low	13 Å²	13	78.6 Å²	78.6	11%	0.107	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-22.1	171.2	0	0	0	0	0	111.6	D214 L525 E526 S533 R540	D214-A529 HydrophobicContact CB-CB 4.42Å; L525-A529 PolarHBondContact O-N 3.37Å; E526-A529 PolarHBondContact O-N 2.91Å; E526-A529 VanDerWaalsContact O-N 3.1Å; A529-S533 WeakPolarHBondContact O-CB 3.34Å; A529-R540 PolarHBondContact O-NH2 3.28Å
530	D	54.5	Low	65.2	Low	58 Å²	58	79.4 Å²	79.4	31%	0.31	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-32	177.2	-74.5	-26.1	0	0	0	113.5	N528 S533 R540	N528-D530 PolarHBondContact O-N 3.18Å; D530-S533 PolarHBondContact O-OG 3.14Å; D530-R540 IonicContact OD1-CZ 3.19Å; D530-R540 IonicContact OD1-NH1 3.98Å; D530-R540 PolarHBondContact OD1-NH1 2.8Å; D530-R540 IonicContact OD1-NH2 3Å; D530-R540 PolarHBondContact OD1-NH2 3.08Å
531	T	53.7	Low	62.9	Low	89 Å²	89	86.1 Å²	86.1	55%	0.546	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-34.2	177.2	51.8	0	0	0	0	113	N528 S533	N528-T531 PolarHBondContact O-N 3.29Å; N528-T531 PolarHBondContact O-OG1 3.45Å; N528-T531 PolarHBondContact OD1-OG1 3.38Å; N528-T531 VanDerWaalsContact OD1-OG1 3.1Å; T531-S533 VanDerWaalsContact C-N 3.31Å; T531-S533 PolarHBondContact O-N 3.03Å
532	T	48.6	Very low	60.7	Low	81 Å²	81	91.8 Å²	91.8	50%	0.497	46%	0.46	S	S	.	.	S	Bend	trans	-79.5	-9.9	-179.3	50.7	0	0	0	0	114	N528 Q534	N528-T532 PolarHBondContact O-N 3.44Å; N528-T532 PolarHBondContact O-OG1 3.49Å; T532-Q534 VanDerWaalsContact C-N 3.28Å; T532-Q534 PolarHBondContact O-N 3Å
533	S	44.4	Very low	58.9	Low	63 Å²	63	93 Å²	93	44%	0.441	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	31.9	-170.3	70	0	0	0	0	116.6	A529 D530 T531 G535	A529-S533 WeakPolarHBondContact O-CB 3.34Å; D530-S533 PolarHBondContact O-OG 3.14Å; T531-S533 VanDerWaalsContact C-N 3.31Å; T531-S533 PolarHBondContact O-N 3.03Å; S533-G535 PolarHBondContact O-N 2.84Å
534	Q	42.6	Very low	57.4	Low	200 Å²	200	97.4 Å²	97.4	94%	0.935	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.6	169.9	-75.7	-170	-8	0	0	114	T532	T532-Q534 VanDerWaalsContact C-N 3.28Å; T532-Q534 PolarHBondContact O-N 3Å
535	G	35.8	Very low	56.2	Low	60 Å²	60	98.8 Å²	98.8	62%	0.619	50%	0.495	S	S	*	.	S	Bend	trans	-126.7	138.5	178.7	0	0	0	0	0	114.4	S533	S533-G535 PolarHBondContact O-N 2.84Å
536	R	38.3	Very low	55.6	Low	258 Å²	258	99.5 Å²	99.5	97%	0.974	50%	0.497	S	S	*	.			trans	2.6	117.6	175.8	-103.9	175.1	174.8	163.9	-2.1	118.4
537	R	40.4	Very low	55.2	Low	216 Å²	216	99.9 Å²	99.9	82%	0.815	50%	0.498	S	S	*	.			trans	-68.4	125.8	178.2	-66.9	177.2	177	-173.7	-3.1	113.1
538	S	37	Very low	55.2	Low	109 Å²	109	100.5 Å²	100.5	76%	0.762	50%	0.498	S	S	*	.			trans	-89.6	152.3	141.7	-174.9	0	0	0	0	108.9	R540	S538-R540 PolarHBondContact O-N 3.38Å
539	R	42.8	Very low	55.1	Low	242 Å²	242	104.5 Å²	104.5	91%	0.913	52%	0.518	S	S	*	.			trans	-66.3	101.8	-171.1	-163.5	176.6	-175.7	175.9	-0.2	109.7
540	R	49.2	Very low	55.9	Low	100 Å²	100	108.6 Å²	108.6	38%	0.377	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-61.9	136	177.4	-72.9	-172.6	-174.7	178.6	0.5	111	A529 D530 S538	A529-R540 PolarHBondContact O-NH2 3.28Å; D530-R540 IonicContact OD1-CZ 3.19Å; D530-R540 IonicContact OD1-NH1 3.98Å; D530-R540 PolarHBondContact OD1-NH1 2.8Å; D530-R540 IonicContact OD1-NH2 3Å; D530-R540 PolarHBondContact OD1-NH2 3.08Å; S538-R540 PolarHBondContact O-N 3.38Å
541	L	47.8	Very low	57	Low	141 Å²	141	107.6 Å²	107.6	74%	0.738	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-71.2	141.4	160.6	-86.2	142.1	0	0	0	109.3
542	E	52.7	Low	58.4	Low	119 Å²	119	104.1 Å²	104.1	56%	0.556	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-76.4	127.2	-175.2	-55.3	-177.9	153.5	0	0	110.3	R546 F547	E542-R546 VanDerWaalsContact CD-CZ 3.47Å; E542-R546 IonicContact OE1-CZ 3.76Å; E542-R546 IonicContact OE1-NH1 2.87Å; E542-R546 PolarHBondContact OE1-NH1 3.38Å; E542-R546 IonicContact OE1-NH2 3.8Å; E542-R546 IonicContact OE2-CZ 2.71Å; E542-R546 IonicContact OE2-NE 3.58Å; E542-R546 IonicContact OE2-NH1 2.63Å; E542-R546 PolarHBondContact OE2-NH1 3.03Å; E542-R546 IonicContact OE2-NH2 3.38Å; E542-R546 PolarHBondContact OE2-NH2 3.04Å; E542-F547 HydrophobicContact CB-CZ 4.42Å
543	T	57.3	Low	60.4	Low	59 Å²	59	108.2 Å²	108.2	36%	0.362	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-81.4	150.2	-174.9	37.8	0	0	0	0	113	E526 S545 R546	E526-T543 HydrophobicContact CG-CG2 4.35Å; E526-T543 WeakPolarHBondContact OE1-CG2 3.14Å; T543-S545 VanDerWaalsContact C-N 3.26Å; T543-S545 PolarHBondContact O-N 2.77Å; T543-R546 WeakPolarHBondContact O-CB 3.49Å; T543-R546 PolarHBondContact O-N 3.35Å; T543-R546 VanDerWaalsContact O-N 3.16Å
544	E	61.8	Low	62.6	Low	137 Å²	137	108.5 Å²	108.5	64%	0.64	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-59.8	-32	-179.5	-75.2	-91.5	134.3	0	0	113.2	R546 F547 R592	E544-R546 PolarHBondContact O-N 3.43Å; E544-R546 VanDerWaalsContact O-N 3.14Å; E544-F547 PolarHBondContact O-N 3Å; E544-R592 IonicContact OE1-NH2 2.66Å; E544-R592 PolarHBondContact OE1-NH2 2.88Å
545	S	70.4	Confident	65	Low	33 Å²	33	101 Å²	101	23%	0.231	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-62.3	-17.7	177.5	56.7	0	0	0	0	114.1	E526 T543 F547 D548 H552	E526-S545 PolarHBondContact OE2-OG 2.78Å; E526-S545 VanDerWaalsContact OE2-OG 3.11Å; T543-S545 VanDerWaalsContact C-N 3.26Å; T543-S545 PolarHBondContact O-N 2.77Å; S545-F547 VanDerWaalsContact C-N 3.3Å; S545-D548 VanDerWaalsContact O-OD1 3.1Å; S545-H552 PolarHBondContact O-CE1 3.18Å; S545-H552 VanDerWaalsContact O-CE1 3.32Å; S545-H552 PolarHBondContact O-NE2 3.08Å
546	R	80.6	Confident	67.7	Low	14 Å²	14	104.1 Å²	104.1	5%	0.053	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-67.7	-30	172.4	177.3	-179	146.3	165.7	-9.7	112.6	E542 T543 E544 Y589 H590	E542-R546 VanDerWaalsContact CD-CZ 3.47Å; E542-R546 IonicContact OE1-CZ 3.76Å; E542-R546 IonicContact OE1-NH1 2.87Å; E542-R546 PolarHBondContact OE1-NH1 3.38Å; E542-R546 IonicContact OE1-NH2 3.8Å; E542-R546 IonicContact OE2-CZ 2.71Å; E542-R546 IonicContact OE2-NE 3.58Å; E542-R546 IonicContact OE2-NH1 2.63Å; E542-R546 PolarHBondContact OE2-NH1 3.03Å; E542-R546 IonicContact OE2-NH2 3.38Å; E542-R546 PolarHBondContact OE2-NH2 3.04Å; T543-R546 WeakPolarHBondContact O-CB 3.49Å; T543-R546 PolarHBondContact O-N 3.35Å; T543-R546 VanDerWaalsContact O-N 3.16Å; E544-R546 PolarHBondContact O-N 3.43Å; E544-R546 VanDerWaalsContact O-N 3.14Å; R546-Y589 HydrophobicContact CG-CE1 4.28Å; R546-Y589 VanDerWaalsContact CZ-CE2 3.42Å; R546-Y589 PolarHBondContact NE-O 3.05Å; R546-Y589 PolarHBondContact NH2-O 3.44Å; R546-H590 PolarHBondContact O-CD2 3.19Å
547	F	81.2	Confident	69.9	Low	50 Å²	50	92.9 Å²	92.9	22%	0.219	45%	0.447	C	S	.	.	S	Bend	trans	-100.4	0.3	-168.4	-55.6	-70.2	0	0	0	114.2	E542 E544 S545 M549 H590 R592	E542-F547 HydrophobicContact CB-CZ 4.42Å; E544-F547 PolarHBondContact O-N 3Å; S545-F547 VanDerWaalsContact C-N 3.3Å; F547-M549 VanDerWaalsContact C-N 3.26Å; F547-M549 PolarHBondContact O-N 2.88Å; F547-H590 WeakPolarHBondContact CA-O 3.43Å; F547-R592 HydrophobicContact CD1-CG 3.91Å; F547-R592 HydrophobicContact CE1-CG 4.1Å; F547-R592 HydrophobicContact CG-CG 4.24Å
548	D	80.9	Confident	72	Confident	57 Å²	57	90.3 Å²	90.3	31%	0.305	45%	0.449	S	S	.	.	S	Bend	trans	-78	-9.2	-176.7	67	8.3	0	0	0	113.9	S545 V550 H552 K576	S545-D548 VanDerWaalsContact O-OD1 3.1Å; D548-V550 WeakPolarHBondContact O-CG2 3.21Å; D548-V550 PolarHBondContact O-N 3.12Å; D548-V550 PolarHBondContact OD1-N 2.94Å; D548-H552 IonicContact OD1-CD2 3.29Å; D548-H552 IonicContact OD1-CE1 2.67Å; D548-H552 IonicContact OD1-NE2 2.65Å; D548-H552 PolarHBondContact OD1-NE2 2.95Å; D548-K576 IonicContact OD1-NZ 3.33Å; D548-K576 PolarHBondContact OD1-NZ 3.19Å; D548-K576 IonicContact OD2-NZ 3.72Å; D548-K576 PolarHBondContact OD2-NZ 2.98Å
549	M	74.9	Confident	74.3	Confident	96 Å²	96	93.3 Å²	93.3	47%	0.473	45%	0.449	S	S	.	.			trans	55.3	12.1	-179.3	-68.1	-65.3	-61.5	0	0	115.2	F547 H590 I591	F547-M549 VanDerWaalsContact C-N 3.26Å; F547-M549 PolarHBondContact O-N 2.88Å; M549-H590 HydrophobicContact SD-CB 3.6Å; M549-I591 HydrophobicContact CG-CG2 4.49Å; M549-I591 HydrophobicContact SD-CG2 4.36Å
550	V	78.4	Confident	76.4	Confident	99 Å²	99	90 Å²	90	60%	0.6	44%	0.436	S	S	*	.	S	Bend	trans	-103.9	126.9	-177.9	172.5	0	0	0	0	110.2	D548 H552 K576	D548-V550 WeakPolarHBondContact O-CG2 3.21Å; D548-V550 PolarHBondContact O-N 3.12Å; D548-V550 PolarHBondContact OD1-N 2.94Å; V550-H552 VanDerWaalsContact C-N 3.27Å; V550-H552 PolarHBondContact O-CD2 3.16Å; V550-H552 PolarHBondContact O-N 3.44Å; V550-K576 WeakPolarHBondContact O-CD 3.24Å; V550-K576 WeakPolarHBondContact O-CE 3.49Å; V550-K576 PolarHBondContact O-NZ 2.89Å
551	G	77.6	Confident	78.3	Confident	37 Å²	37	87.6 Å²	87.6	38%	0.381	43%	0.433	S	S	.	.	S	Bend	trans	70.7	15.6	173	0	0	0	0	0	115.4	K576	G551-K576 WeakPolarHBondContact O-CB 3.19Å
552	H	84.9	Confident	80.4	Confident	16 Å²	16	88.4 Å²	88.4	7%	0.074	43%	0.426	C	S	.	.			trans	-85.2	114.4	172.4	-61.1	-83.3	0	0	0	109.3	S545 D548 V550 C574 C577 F586 H590	S545-H552 PolarHBondContact O-CE1 3.18Å; S545-H552 VanDerWaalsContact O-CE1 3.32Å; S545-H552 PolarHBondContact O-NE2 3.08Å; D548-H552 IonicContact OD1-CD2 3.29Å; D548-H552 IonicContact OD1-CE1 2.67Å; D548-H552 IonicContact OD1-NE2 2.65Å; D548-H552 PolarHBondContact OD1-NE2 2.95Å; V550-H552 VanDerWaalsContact C-N 3.27Å; V550-H552 PolarHBondContact O-CD2 3.16Å; V550-H552 PolarHBondContact O-N 3.44Å; H552-C574 PolarHBondContact ND1-SG 3.47Å; H552-C577 PolarHBondContact CE1-SG 3.48Å; H552-C577 PolarHBondContact ND1-SG 2.76Å; H552-C577 VanDerWaalsContact ND1-SG 3.43Å; H552-F586 HydrophobicContact CB-CE1 4.42Å; H552-F586 HydrophobicContact CB-CE2 4.26Å; H552-F586 HydrophobicContact CB-CZ 3.56Å; H552-F586 WeakPolarHBondContact O-CZ 3.27Å; H552-H590 AromaticContact CE1-CD2 3.63Å; H552-H590 AromaticContact CG-CD2 3.68Å; H552-H590 AromaticContact CG-NE2 3.97Å; H552-H590 AromaticContact ND1-CD2 3.3Å; H552-H590 PolarHBondContact ND1-CD2 3.33Å; H552-H590 VanDerWaalsContact ND1-CD2 3.3Å; H552-H590 AromaticContact ND1-NE2 3.45Å; H552-H590 PolarHBondContact ND1-NE2 3.46Å
553	W	89.3	Confident	82.2	Confident	167 Å²	167	82.8 Å²	82.8	63%	0.633	40%	0.4	S	S	*	.			trans	-122	142.2	178.1	-57.3	105.8	0	0	0	111.3	I555 C574 E575	W553-I555 PolarHBondContact O-N 2.93Å; W553-C574 CarbonylContact O-C 3.54Å; W553-C574 VanDerWaalsContact O-CA 3.29Å; W553-C574 WeakPolarHBondContact O-CA 3.47Å; W553-E575 HydrophobicContact CB-CB 4.18Å; W553-E575 VanDerWaalsContact CD1-OE2 3.28Å; W553-E575 PolarHBondContact O-N 3.16Å
554	I	91.6	Very high	83.6	Confident	68 Å²	68	81.5 Å²	81.5	35%	0.349	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.9	172.6	-56.8	-173.1	0	0	0	108.5	T572 R573 A583 F586	I554-T572 HydrophobicContact CG2-CG2 4.01Å; I554-R573 WeakPolarHBondContact CA-O 3.3Å; I554-A583 HydrophobicContact CD1-CB 3.95Å; I554-F586 HydrophobicContact CD1-CB 3.62Å; I554-F586 HydrophobicContact CD1-CD1 4.28Å; I554-F586 HydrophobicContact CD1-CD2 3.59Å; I554-F586 HydrophobicContact CD1-CE2 4.27Å; I554-F586 HydrophobicContact CD1-CG 3.57Å; I554-F586 HydrophobicContact CG1-CB 4.3Å; I554-F586 HydrophobicContact CG1-CD1 4.37Å; I554-F586 HydrophobicContact CG1-CD2 3.27Å; I554-F586 HydrophobicContact CG1-CE2 3.49Å; I554-F586 VanDerWaalsContact CG1-CE2 3.49Å; I554-F586 HydrophobicContact CG1-CG 3.74Å; I554-F586 HydrophobicContact CG1-CZ 4.14Å
555	I	92.1	Very high	84.9	Confident	42 Å²	42	77.7 Å²	77.7	22%	0.215	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	147.6	174.6	60.8	171.9	0	0	0	110.4	W553 T572 R573 E575	W553-I555 PolarHBondContact O-N 2.93Å; I555-T572 CarbonylContact O-C 3.41Å; I555-T572 WeakPolarHBondContact O-CA 3.36Å; I555-R573 HydrophobicContact CD1-CG 4.08Å; I555-R573 HydrophobicContact CG1-CG 3.64Å; I555-R573 PolarHBondContact N-O 2.83Å; I555-R573 PolarHBondContact O-N 2.89Å; I555-E575 HydrophobicContact CD1-CB 3.93Å; I555-E575 HydrophobicContact CD1-CG 4.11Å; I555-E575 HydrophobicContact CG1-CB 4.21Å; I555-E575 HydrophobicContact CG2-CB 4.13Å
556	H	92.4	Very high	85.8	Confident	127 Å²	127	78.4 Å²	78.4	59%	0.588	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	146.2	172.9	-162.3	-85.7	0	0	0	109.9	N571	H556-N571 WeakPolarHBondContact NE2-CB 3.36Å
557	Q	85.3	Confident	86.2	Confident	21 Å²	21	83.5 Å²	83.5	10%	0.098	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.3	176.9	51	169.5	46.8	0	0	110.2	K559 T561 N571 R573	Q557-K559 VanDerWaalsContact C-N 3.29Å; Q557-K559 PolarHBondContact NE2-O 3.48Å; Q557-K559 PolarHBondContact O-N 3.45Å; Q557-T561 PolarHBondContact NE2-OG1 3.32Å; Q557-N571 WeakPolarHBondContact CG-O 3.32Å; Q557-N571 PolarHBondContact N-O 3.5Å; Q557-R573 HydrophobicContact CB-CG 4.48Å; Q557-R573 HydrophobicContact CG-CG 4.31Å; Q557-R573 VanDerWaalsContact OE1-CG 3.28Å
558	D	83.5	Confident	86.7	Confident	162 Å²	162	84.3 Å²	84.3	87%	0.866	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	-28.7	-175.2	-55.2	-40.1	0	0	0	112.7
559	K	85.9	Confident	87.3	Confident	172 Å²	172	87.3 Å²	87.3	75%	0.748	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	130.1	178.9	-66.7	-177.6	-179.2	177.5	0	110.7	Q557 T561	Q557-K559 VanDerWaalsContact C-N 3.29Å; Q557-K559 PolarHBondContact NE2-O 3.48Å; Q557-K559 PolarHBondContact O-N 3.45Å; K559-T561 PolarHBondContact O-N 2.77Å
560	R	87	Confident	88.2	Confident	174 Å²	174	83 Å²	83	66%	0.657	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	128	172.7	-55.5	-147.7	172.4	162.6	-3.6	110.5	N571	R560-N571 WeakPolarHBondContact CD-OD1 3.49Å; R560-N571 WeakPolarHBondContact CG-OD1 3.09Å
561	T	89.4	Confident	88.9	Confident	49 Å²	49	80.7 Å²	80.7	30%	0.301	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	177.6	171.5	61.1	0	0	0	0	110.6	Q557 K559 Q569 T570 G580	Q557-T561 PolarHBondContact NE2-OG1 3.32Å; K559-T561 PolarHBondContact O-N 2.77Å; T561-Q569 CarbonylContact O-C 3.36Å; T561-Q569 WeakPolarHBondContact O-CA 3.42Å; T561-T570 PolarHBondContact N-O 3.36Å; T561-T570 PolarHBondContact O-N 3.37Å; T561-G580 WeakPolarHBondContact OG1-CA 3.32Å
562	R	91.1	Very high	89.6	Confident	158 Å²	158	80.3 Å²	80.3	60%	0.596	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.3	173.9	-72.3	-175	179.9	-98.2	5.2	110.3	A564 H567 S568	R562-A564 PolarHBondContact O-N 2.75Å; R562-H567 PolarHBondContact NH1-O 2.93Å; R562-S568 WeakPolarHBondContact CA-O 2.77Å
563	C	91.6	Very high	89.9	Confident	1 Å²	1	83.3 Å²	83.3	1%	0.007	40%	0.396	C	S	.	.			trans	-58.4	131.4	173.3	178.7	0	0	0	0	110.5	L565 C566 H567 S568 T570 G580 H582	C563-L565 PolarHBondContact O-N 3.06Å; C563-L565 PolarHBondContact SG-N 2.61Å; C563-L565 VanDerWaalsContact SG-N 3.43Å; C563-C566 PolarHBondContact SG-N 2.73Å; C563-C566 VanDerWaalsContact SG-SG 3.66Å; C563-H567 WeakPolarHBondContact O-CA 3.41Å; C563-H567 PolarHBondContact O-N 3.28Å; C563-H567 PolarHBondContact O-ND1 2.82Å; C563-S568 WeakPolarHBondContact CB-O 3.48Å; C563-S568 PolarHBondContact N-O 2.83Å; C563-T570 HydrophobicContact CB-CG2 4.37Å; C563-G580 CarbonylContact C-O 3.1Å; C563-G580 WeakPolarHBondContact CA-O 3.26Å; C563-H582 VanDerWaalsContact CB-CE1 3.49Å; C563-H582 WeakPolarHBondContact CB-CE1 3.49Å; C563-H582 VanDerWaalsContact CB-ND1 3.34Å; C563-H582 WeakPolarHBondContact CB-ND1 3.39Å; C563-H582 PolarHBondContact SG-ND1 2.79Å
564	A	85.9	Confident	90	Very high	31 Å²	31	75.4 Å²	75.4	26%	0.256	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-25.3	179.9	0	0	0	0	0	113.1	R562 H567 K579 G580 V581 Y589	R562-A564 PolarHBondContact O-N 2.75Å; A564-H567 PolarHBondContact O-CE1 3.22Å; A564-K579 HydrophobicContact CB-CB 4.25Å; A564-G580 PolarHBondContact N-O 2.65Å; A564-V581 HydrophobicContact CB-CG2 4.22Å; A564-Y589 HydrophobicContact CB-CD2 3.91Å; A564-Y589 HydrophobicContact CB-CE1 4.37Å; A564-Y589 HydrophobicContact CB-CE2 3.23Å
565	L	88.7	Confident	89.7	Confident	57 Å²	57	76.5 Å²	76.5	30%	0.298	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-58.7	178.5	-169.9	69	0	0	0	112.7	C563 C585 E588 Y589	C563-L565 PolarHBondContact O-N 3.06Å; C563-L565 PolarHBondContact SG-N 2.61Å; C563-L565 VanDerWaalsContact SG-N 3.43Å; L565-C585 HydrophobicContact CB-CB 3.95Å; L565-C585 HydrophobicContact CD2-CB 3.64Å; L565-C585 HydrophobicContact CG-CB 4.42Å; L565-E588 HydrophobicContact CD2-CB 3.85Å; L565-E588 HydrophobicContact CD2-CG 3.99Å; L565-Y589 HydrophobicContact CB-CD2 4.35Å
566	C	90.1	Very high	89.2	Confident	49 Å²	49	77.9 Å²	77.9	33%	0.331	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	1.6	-173.6	74.6	0	0	0	0	114.8	C563 S568 H582	C563-C566 PolarHBondContact SG-N 2.73Å; C563-C566 VanDerWaalsContact SG-SG 3.66Å; C566-S568 PolarHBondContact O-N 3.01Å; C566-S568 PolarHBondContact O-OG 3.1Å; C566-H582 PolarHBondContact SG-CE1 3.26Å; C566-H582 PolarHBondContact SG-ND1 3.39Å
567	H	88.7	Confident	88.7	Confident	120 Å²	120	72.9 Å²	72.9	56%	0.556	35%	0.353	S	S	*	.			trans	59	4.4	176.6	-54.5	-41.9	0	0	0	117.4	R562 C563 A564	R562-H567 PolarHBondContact NH1-O 2.93Å; C563-H567 WeakPolarHBondContact O-CA 3.41Å; C563-H567 PolarHBondContact O-N 3.28Å; C563-H567 PolarHBondContact O-ND1 2.82Å; A564-H567 PolarHBondContact O-CE1 3.22Å
568	S	91.7	Very high	88.6	Confident	68 Å²	68	75.7 Å²	75.7	48%	0.476	37%	0.366	S	S	.	.	S	Bend	trans	-80.6	158.7	175	-61.9	0	0	0	0	111.6	R562 C563 C566	R562-S568 WeakPolarHBondContact CA-O 2.77Å; C563-S568 WeakPolarHBondContact CB-O 3.48Å; C563-S568 PolarHBondContact N-O 2.83Å; C566-S568 PolarHBondContact O-N 3.01Å; C566-S568 PolarHBondContact O-OG 3.1Å
569	Q	93.3	Very high	88.7	Confident	119 Å²	119	70.2 Å²	70.2	56%	0.556	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.6	-178.6	-68.4	-173.1	-4.4	0	0	111.9	T561 H582	T561-Q569 CarbonylContact O-C 3.36Å; T561-Q569 WeakPolarHBondContact O-CA 3.42Å; Q569-H582 PolarHBondContact O-NE2 2.86Å
570	T	93	Very high	89.1	Confident	7 Å²	7	62.4 Å²	62.4	4%	0.043	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.8	178.2	-170.4	0	0	0	0	111.5	T561 C563 T572 H582	T561-T570 PolarHBondContact N-O 3.36Å; T561-T570 PolarHBondContact O-N 3.37Å; C563-T570 HydrophobicContact CB-CG2 4.37Å; T570-T572 WeakPolarHBondContact CG2-O 3.25Å; T570-T572 PolarHBondContact OG1-N 3.02Å; T570-T572 VanDerWaalsContact OG1-N 3.16Å; T570-T572 PolarHBondContact OG1-O 3.35Å; T570-T572 PolarHBondContact OG1-OG1 3.45Å; T570-H582 VanDerWaalsContact CB-CD2 3.49Å; T570-H582 WeakPolarHBondContact CB-CD2 3.4Å; T570-H582 WeakPolarHBondContact CB-NE2 3.47Å; T570-H582 PolarHBondContact OG1-CD2 3.36Å; T570-H582 VanDerWaalsContact OG1-CD2 3.31Å
571	N	93.8	Very high	89.4	Confident	49 Å²	49	54.1 Å²	54.1	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	7	171.6	-66	10	0	0	0	112.1	H556 Q557 R560	H556-N571 WeakPolarHBondContact NE2-CB 3.36Å; Q557-N571 WeakPolarHBondContact CG-O 3.32Å; Q557-N571 PolarHBondContact N-O 3.5Å; R560-N571 WeakPolarHBondContact CD-OD1 3.49Å; R560-N571 WeakPolarHBondContact CG-OD1 3.09Å
572	T	92.2	Very high	89.6	Confident	30 Å²	30	53.4 Å²	53.4	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.9	179.3	57.3	0	0	0	0	110.2	I554 I555 T570 G580 V581	I554-T572 HydrophobicContact CG2-CG2 4.01Å; I555-T572 CarbonylContact O-C 3.41Å; I555-T572 WeakPolarHBondContact O-CA 3.36Å; T570-T572 WeakPolarHBondContact CG2-O 3.25Å; T570-T572 PolarHBondContact OG1-N 3.02Å; T570-T572 VanDerWaalsContact OG1-N 3.16Å; T570-T572 PolarHBondContact OG1-O 3.35Å; T570-T572 PolarHBondContact OG1-OG1 3.45Å; T572-G580 CarbonylContact O-C 3.57Å; T572-G580 WeakPolarHBondContact O-CA 2.83Å; T572-V581 CarbonylContact C-O 3.49Å; T572-V581 PolarHBondContact O-N 3.17Å; T572-V581 PolarHBondContact OG1-O 3.1Å
573	R	92.5	Very high	89.6	Confident	79 Å²	79	49.3 Å²	49.3	30%	0.298	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.7	173.5	63.4	166.9	174.5	-162.7	6.5	111.3	I554 I555 Q557 K579	I554-R573 WeakPolarHBondContact CA-O 3.3Å; I555-R573 HydrophobicContact CD1-CG 4.08Å; I555-R573 HydrophobicContact CG1-CG 3.64Å; I555-R573 PolarHBondContact N-O 2.83Å; I555-R573 PolarHBondContact O-N 2.89Å; Q557-R573 HydrophobicContact CB-CG 4.48Å; Q557-R573 HydrophobicContact CG-CG 4.31Å; Q557-R573 VanDerWaalsContact OE1-CG 3.28Å; R573-K579 CarbonylContact C-O 3.55Å; R573-K579 WeakPolarHBondContact CA-O 3.38Å; R573-K579 WeakPolarHBondContact CB-O 3.26Å
574	C	90.2	Very high	89.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	128.3	163.7	178.2	0	0	0	0	109.1	H552 W553 C577 Q578 K579 F586 H590	H552-C574 PolarHBondContact ND1-SG 3.47Å; W553-C574 CarbonylContact O-C 3.54Å; W553-C574 VanDerWaalsContact O-CA 3.29Å; W553-C574 WeakPolarHBondContact O-CA 3.47Å; C574-C577 HydrophobicContact CB-CB 4.05Å; C574-C577 PolarHBondContact SG-N 2.94Å; C574-C577 VanDerWaalsContact SG-N 3.44Å; C574-Q578 WeakPolarHBondContact O-CA 3.39Å; C574-Q578 PolarHBondContact O-N 2.93Å; C574-K579 PolarHBondContact N-O 3.18Å; C574-F586 HydrophobicContact CB-CE2 4.11Å; C574-H590 PolarHBondContact SG-NE2 3.31Å; C574-H590 VanDerWaalsContact SG-NE2 3.39Å
575	E	85.4	Confident	90	Very high	91 Å²	91	56.5 Å²	56.5	43%	0.425	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-41.3	177.9	-177.4	172.5	-136.2	0	0	112	W553 I555 Q578	W553-E575 HydrophobicContact CB-CB 4.18Å; W553-E575 VanDerWaalsContact CD1-OE2 3.28Å; W553-E575 PolarHBondContact O-N 3.16Å; I555-E575 HydrophobicContact CD1-CB 3.93Å; I555-E575 HydrophobicContact CD1-CG 4.11Å; I555-E575 HydrophobicContact CG1-CB 4.21Å; I555-E575 HydrophobicContact CG2-CB 4.13Å; E575-Q578 PolarHBondContact O-NE2 2.91Å
576	K	81	Confident	90	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.309	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-45.9	-179.7	-179.5	171.4	175.8	-170.7	0	113	D548 V550 G551	D548-K576 IonicContact OD1-NZ 3.33Å; D548-K576 PolarHBondContact OD1-NZ 3.19Å; D548-K576 IonicContact OD2-NZ 3.72Å; D548-K576 PolarHBondContact OD2-NZ 2.98Å; V550-K576 WeakPolarHBondContact O-CD 3.24Å; V550-K576 WeakPolarHBondContact O-CE 3.49Å; V550-K576 PolarHBondContact O-NZ 2.89Å; G551-K576 WeakPolarHBondContact O-CB 3.19Å
577	C	82.9	Confident	89.9	Confident	22 Å²	22	61.7 Å²	61.7	15%	0.149	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-12.4	179.7	-61.7	0	0	0	0	114.1	H552 C574 K579	H552-C577 PolarHBondContact CE1-SG 3.48Å; H552-C577 PolarHBondContact ND1-SG 2.76Å; H552-C577 VanDerWaalsContact ND1-SG 3.43Å; C574-C577 HydrophobicContact CB-CB 4.05Å; C574-C577 PolarHBondContact SG-N 2.94Å; C574-C577 VanDerWaalsContact SG-N 3.44Å; C577-K579 HydrophobicContact CB-CB 4.46Å; C577-K579 HydrophobicContact CB-CG 4.29Å; C577-K579 WeakPolarHBondContact O-CG 3.42Å; C577-K579 PolarHBondContact O-N 2.92Å
578	Q	83.4	Confident	89.8	Confident	80 Å²	80	62.3 Å²	62.3	37%	0.374	30%	0.304	S	S	.	.			trans	50.8	28.3	-173.8	-64.8	-68.4	-31.8	0	0	113.8	C574 E575	C574-Q578 WeakPolarHBondContact O-CA 3.39Å; C574-Q578 PolarHBondContact O-N 2.93Å; E575-Q578 PolarHBondContact O-NE2 2.91Å
579	K	86	Confident	89.5	Confident	48 Å²	48	60 Å²	60	21%	0.209	29%	0.285	C	S	.	.			trans	-106.3	137.6	177.5	-64.8	-55.1	176.9	-165.1	0	111.1	A564 R573 C574 C577 V581	A564-K579 HydrophobicContact CB-CB 4.25Å; R573-K579 CarbonylContact C-O 3.55Å; R573-K579 WeakPolarHBondContact CA-O 3.38Å; R573-K579 WeakPolarHBondContact CB-O 3.26Å; C574-K579 PolarHBondContact N-O 3.18Å; C577-K579 HydrophobicContact CB-CB 4.46Å; C577-K579 HydrophobicContact CB-CG 4.29Å; C577-K579 WeakPolarHBondContact O-CG 3.42Å; C577-K579 PolarHBondContact O-N 2.92Å; K579-V581 HydrophobicContact CB-CG2 4.3Å; K579-V581 PolarHBondContact O-N 2.92Å
580	G	92.8	Very high	89.3	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-58.2	121.2	168.6	0	0	0	0	0	110	T561 C563 A564 T572	T561-G580 WeakPolarHBondContact OG1-CA 3.32Å; C563-G580 CarbonylContact C-O 3.1Å; C563-G580 WeakPolarHBondContact CA-O 3.26Å; A564-G580 PolarHBondContact N-O 2.65Å; T572-G580 CarbonylContact O-C 3.57Å; T572-G580 WeakPolarHBondContact O-CA 2.83Å
581	V	92.9	Very high	88.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.			trans	-146	128	179.8	-177	0	0	0	0	107.8	A564 T572 K579 C585 F586 Y589	A564-V581 HydrophobicContact CB-CG2 4.22Å; T572-V581 CarbonylContact C-O 3.49Å; T572-V581 PolarHBondContact O-N 3.17Å; T572-V581 PolarHBondContact OG1-O 3.1Å; K579-V581 HydrophobicContact CB-CG2 4.3Å; K579-V581 PolarHBondContact O-N 2.92Å; V581-C585 HydrophobicContact CG1-CB 4.05Å; V581-F586 HydrophobicContact CG1-CB 4.21Å; V581-F586 HydrophobicContact CG1-CD2 4.42Å; V581-Y589 HydrophobicContact CG1-CG 4.43Å; V581-Y589 HydrophobicContact CG2-CD1 3.69Å; V581-Y589 HydrophobicContact CG2-CE1 3.91Å; V581-Y589 HydrophobicContact CG2-CG 4.09Å
582	H	94.3	Very high	87.4	Confident	34 Å²	34	66.5 Å²	66.5	16%	0.157	30%	0.304	C	S	.	.			trans	-66.7	151.7	173	-63.9	111.8	0	0	0	110.6	C563 C566 Q569 T570 K584 C585 F586	C563-H582 VanDerWaalsContact CB-CE1 3.49Å; C563-H582 WeakPolarHBondContact CB-CE1 3.49Å; C563-H582 VanDerWaalsContact CB-ND1 3.34Å; C563-H582 WeakPolarHBondContact CB-ND1 3.39Å; C563-H582 PolarHBondContact SG-ND1 2.79Å; C566-H582 PolarHBondContact SG-CE1 3.26Å; C566-H582 PolarHBondContact SG-ND1 3.39Å; Q569-H582 PolarHBondContact O-NE2 2.86Å; T570-H582 VanDerWaalsContact CB-CD2 3.49Å; T570-H582 WeakPolarHBondContact CB-CD2 3.4Å; T570-H582 WeakPolarHBondContact CB-NE2 3.47Å; T570-H582 PolarHBondContact OG1-CD2 3.36Å; T570-H582 VanDerWaalsContact OG1-CD2 3.31Å; H582-K584 HydrophobicContact CB-CG 3.88Å; H582-K584 PolarHBondContact O-N 2.99Å; H582-C585 HydrophobicContact CB-CB 4.14Å; H582-C585 CarbonylContact O-C 3.49Å; H582-C585 PolarHBondContact O-N 3.26Å; H582-F586 PolarHBondContact O-N 3.24Å
583	A	90.9	Very high	87.2	Confident	72 Å²	72	68.4 Å²	68.4	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-51.2	-42.6	171.4	0	0	0	0	0	113.4	I554 C585 F586	I554-A583 HydrophobicContact CD1-CB 3.95Å; A583-C585 VanDerWaalsContact C-N 3.32Å; A583-C585 PolarHBondContact O-N 2.7Å; A583-F586 WeakPolarHBondContact O-CB 3.35Å; A583-F586 PolarHBondContact O-N 3.3Å
584	K	92.6	Very high	86.9	Confident	174 Å²	174	67.8 Å²	67.8	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-66.9	-29	176.2	65.9	178.3	-177.6	177.2	0	114.5	H582	H582-K584 HydrophobicContact CB-CG 3.88Å; H582-K584 PolarHBondContact O-N 2.99Å
585	C	92.6	Very high	86.7	Confident	9 Å²	9	71.6 Å²	71.6	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-92.5	-6.2	-178.8	-64.9	0	0	0	0	112.3	L565 V581 H582 A583 Y589	L565-C585 HydrophobicContact CB-CB 3.95Å; L565-C585 HydrophobicContact CD2-CB 3.64Å; L565-C585 HydrophobicContact CG-CB 4.42Å; V581-C585 HydrophobicContact CG1-CB 4.05Å; H582-C585 HydrophobicContact CB-CB 4.14Å; H582-C585 CarbonylContact O-C 3.49Å; H582-C585 PolarHBondContact O-N 3.26Å; A583-C585 VanDerWaalsContact C-N 3.32Å; A583-C585 PolarHBondContact O-N 2.7Å; C585-Y589 WeakPolarHBondContact O-CB 3.36Å; C585-Y589 PolarHBondContact O-N 3.39Å
586	F	90.6	Very high	86.8	Confident	33 Å²	33	70.4 Å²	70.4	15%	0.145	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-49.4	-169.4	-177.9	-94	0	0	0	112.3	H552 I554 C574 V581 H582 A583 Y589 H590	H552-F586 HydrophobicContact CB-CE1 4.42Å; H552-F586 HydrophobicContact CB-CE2 4.26Å; H552-F586 HydrophobicContact CB-CZ 3.56Å; H552-F586 WeakPolarHBondContact O-CZ 3.27Å; I554-F586 HydrophobicContact CD1-CB 3.62Å; I554-F586 HydrophobicContact CD1-CD1 4.28Å; I554-F586 HydrophobicContact CD1-CD2 3.59Å; I554-F586 HydrophobicContact CD1-CE2 4.27Å; I554-F586 HydrophobicContact CD1-CG 3.57Å; I554-F586 HydrophobicContact CG1-CB 4.3Å; I554-F586 HydrophobicContact CG1-CD1 4.37Å; I554-F586 HydrophobicContact CG1-CD2 3.27Å; I554-F586 HydrophobicContact CG1-CE2 3.49Å; I554-F586 VanDerWaalsContact CG1-CE2 3.49Å; I554-F586 HydrophobicContact CG1-CG 3.74Å; I554-F586 HydrophobicContact CG1-CZ 4.14Å; C574-F586 HydrophobicContact CB-CE2 4.11Å; V581-F586 HydrophobicContact CG1-CB 4.21Å; V581-F586 HydrophobicContact CG1-CD2 4.42Å; H582-F586 PolarHBondContact O-N 3.24Å; A583-F586 WeakPolarHBondContact O-CB 3.35Å; A583-F586 PolarHBondContact O-N 3.3Å; F586-Y589 PolarHBondContact O-N 3.29Å; F586-H590 AromaticContact CD2-CE1 3.43Å; F586-H590 VanDerWaalsContact CD2-CE1 3.43Å; F586-H590 WeakPolarHBondContact CD2-CE1 3.46Å; F586-H590 AromaticContact CD2-ND1 3.77Å; F586-H590 AromaticContact CE2-CE1 3.27Å; F586-H590 WeakPolarHBondContact CE2-CE1 3.43Å; F586-H590 AromaticContact CE2-ND1 3.76Å; F586-H590 AromaticContact CG-ND1 3.94Å; F586-H590 AromaticContact CZ-CE1 3.77Å; F586-H590 AromaticContact CZ-ND1 3.88Å; F586-H590 PolarHBondContact O-N 3.03Å; F586-H590 PolarHBondContact O-ND1 3.28Å
587	R	86.2	Confident	87.1	Confident	183 Å²	183	70.4 Å²	70.4	69%	0.691	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-58.2	-178.6	-164.8	-177.7	175.2	-121.1	0.5	109.8	Y589 H590 I591	R587-Y589 PolarHBondContact O-N 3.47Å; R587-Y589 VanDerWaalsContact O-N 3.13Å; R587-H590 PolarHBondContact O-N 3.2Å; R587-I591 HydrophobicContact CG-CD1 3.76Å; R587-I591 HydrophobicContact CG-CG1 4.28Å; R587-I591 WeakPolarHBondContact O-CG1 3.44Å; R587-I591 PolarHBondContact O-N 2.86Å
588	E	87.5	Confident	87.4	Confident	132 Å²	132	73.6 Å²	73.6	62%	0.617	34%	0.335	S	S	*	.	H	α-helix	trans	-58.8	-27.8	-178.5	-166.2	172.4	-160.9	0	0	113.8	L565	L565-E588 HydrophobicContact CD2-CB 3.85Å; L565-E588 HydrophobicContact CD2-CG 3.99Å
589	Y	85.6	Confident	87.7	Confident	20 Å²	20	73.1 Å²	73.1	8%	0.078	33%	0.332	C	S	.	.	H	α-helix	trans	-70.1	-34.9	171.8	-173.7	-106.4	0	0	0	112.9	R546 A564 L565 V581 C585 F586 R587	R546-Y589 HydrophobicContact CG-CE1 4.28Å; R546-Y589 VanDerWaalsContact CZ-CE2 3.42Å; R546-Y589 PolarHBondContact NE-O 3.05Å; R546-Y589 PolarHBondContact NH2-O 3.44Å; A564-Y589 HydrophobicContact CB-CD2 3.91Å; A564-Y589 HydrophobicContact CB-CE1 4.37Å; A564-Y589 HydrophobicContact CB-CE2 3.23Å; L565-Y589 HydrophobicContact CB-CD2 4.35Å; V581-Y589 HydrophobicContact CG1-CG 4.43Å; V581-Y589 HydrophobicContact CG2-CD1 3.69Å; V581-Y589 HydrophobicContact CG2-CE1 3.91Å; V581-Y589 HydrophobicContact CG2-CG 4.09Å; C585-Y589 WeakPolarHBondContact O-CB 3.36Å; C585-Y589 PolarHBondContact O-N 3.39Å; F586-Y589 PolarHBondContact O-N 3.29Å; R587-Y589 PolarHBondContact O-N 3.47Å; R587-Y589 VanDerWaalsContact O-N 3.13Å
590	H	88.3	Confident	87.8	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-100.2	4.3	-173.3	-59.4	96.1	0	0	0	114.8	R546 F547 M549 H552 C574 F586 R587	R546-H590 PolarHBondContact O-CD2 3.19Å; F547-H590 WeakPolarHBondContact CA-O 3.43Å; M549-H590 HydrophobicContact SD-CB 3.6Å; H552-H590 AromaticContact CE1-CD2 3.63Å; H552-H590 AromaticContact CG-CD2 3.68Å; H552-H590 AromaticContact CG-NE2 3.97Å; H552-H590 AromaticContact ND1-CD2 3.3Å; H552-H590 PolarHBondContact ND1-CD2 3.33Å; H552-H590 VanDerWaalsContact ND1-CD2 3.3Å; H552-H590 AromaticContact ND1-NE2 3.45Å; H552-H590 PolarHBondContact ND1-NE2 3.46Å; C574-H590 PolarHBondContact SG-NE2 3.31Å; C574-H590 VanDerWaalsContact SG-NE2 3.39Å; F586-H590 AromaticContact CD2-CE1 3.43Å; F586-H590 VanDerWaalsContact CD2-CE1 3.43Å; F586-H590 WeakPolarHBondContact CD2-CE1 3.46Å; F586-H590 AromaticContact CD2-ND1 3.77Å; F586-H590 AromaticContact CE2-CE1 3.27Å; F586-H590 WeakPolarHBondContact CE2-CE1 3.43Å; F586-H590 AromaticContact CE2-ND1 3.76Å; F586-H590 AromaticContact CG-ND1 3.94Å; F586-H590 AromaticContact CZ-CE1 3.77Å; F586-H590 AromaticContact CZ-ND1 3.88Å; F586-H590 PolarHBondContact O-N 3.03Å; F586-H590 PolarHBondContact O-ND1 3.28Å; R587-H590 PolarHBondContact O-N 3.2Å
591	I	80.5	Confident	87.4	Confident	67 Å²	67	80.8 Å²	80.8	34%	0.344	36%	0.364	S	S	.	.			trans	-115.6	154.7	172.4	20.4	166.6	0	0	0	110.1	M549 R587	M549-I591 HydrophobicContact CG-CG2 4.49Å; M549-I591 HydrophobicContact SD-CG2 4.36Å; R587-I591 HydrophobicContact CG-CD1 3.76Å; R587-I591 HydrophobicContact CG-CG1 4.28Å; R587-I591 WeakPolarHBondContact O-CG1 3.44Å; R587-I591 PolarHBondContact O-N 2.86Å
592	R	66.9	Low	86.9	Confident	245 Å²	245	88.1 Å²	88.1	93%	0.925	40%	0.397	S	S	*	.			trans	-77.3	0	175.1	-83.9	-171.6	177.9	173.9	2.6	112.3	E544 F547	E544-R592 IonicContact OE1-NH2 2.66Å; E544-R592 PolarHBondContact OE1-NH2 2.88Å; F547-R592 HydrophobicContact CD1-CG 3.91Å; F547-R592 HydrophobicContact CE1-CG 4.1Å; F547-R592 HydrophobicContact CG-CG 4.24Å

Retrieved 592 of 592 residues in 1274.3 ms (Link to these results)

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