A0A077ZEM9_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077ZEM9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 661 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	40.8	Very low	35.4	Very low	240 Å²	240	168.7 Å²	168.7	100%	1.182	86%	0.857	S	S	*	*				0	121.6	0	-64.6	167.4	171.7	0	0	105.4
2	Y	41.5	Very low	35	Very low	235 Å²	235	171.7 Å²	171.7	92%	0.922	86%	0.86	S	S	*	*			cis	-87.3	-170.9	4.9	-88.7	-114.1	0	0	0	113.9
3	K	33.7	Very low	34.9	Very low	194 Å²	194	173.3 Å²	173.3	84%	0.843	86%	0.863	S	S	*	*			trans	-119.6	136.9	170.1	-84	179.6	177.4	178.3	0	106.8
4	R	30.5	Very low	34.8	Very low	213 Å²	213	168.5 Å²	168.5	80%	0.804	85%	0.852	S	S	*	*				64.7	102.5	75	-167.9	-165.9	-176.9	177.3	6.3	114.3	E6	R4-E6 IonicContact NE-OE2 3.73Å; R4-E6 IonicContact NH2-OE2 2.8Å
5	S	38.4	Very low	34.7	Very low	118 Å²	118	169.2 Å²	169.2	83%	0.825	85%	0.851	S	S	*	*			trans	-155.8	132.2	148.8	45.9	0	0	0	0	109.8
6	E	33.8	Very low	35.2	Very low	151 Å²	151	168.4 Å²	168.4	71%	0.706	85%	0.851	S	S	*	*			trans	-89.1	154.2	170.4	-64.8	131.1	117.6	0	0	110.1	R4	R4-E6 IonicContact NE-OE2 3.73Å; R4-E6 IonicContact NH2-OE2 2.8Å
7	N	36.5	Very low	35.8	Very low	177 Å²	177	167.3 Å²	167.3	95%	0.947	85%	0.847	S	S	*	*			trans	-158.4	151	145	-122.7	-12.5	0	0	0	111.2
8	S	31.2	Very low	36.7	Very low	109 Å²	109	168.2 Å²	168.2	76%	0.762	85%	0.848	S	S	*	*			trans	-118.5	143.5	-173.4	179.9	0	0	0	0	112
9	S	36.6	Very low	37.6	Very low	111 Å²	111	167.3 Å²	167.3	78%	0.776	84%	0.84	S	S	*	*			trans	-150.2	129	166	57.6	0	0	0	0	110.2
10	Y	31.7	Very low	38.7	Very low	237 Å²	237	163.1 Å²	163.1	93%	0.929	82%	0.821	S	S	*	*			trans	-61.6	139.2	177.5	-88.7	-114.7	0	0	0	112.2
11	G	34.4	Very low	39.6	Very low	71 Å²	71	160.4 Å²	160.4	73%	0.732	82%	0.815	S	S	*	*			trans	-138.4	147.9	164.1	0	0	0	0	0	109.3
12	K	31.2	Very low	40.2	Very low	204 Å²	204	153.6 Å²	153.6	89%	0.887	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.2	133.2	176.1	-66.3	176.1	178.8	177.3	0	109.6
13	E	33.8	Very low	41	Very low	193 Å²	193	147.3 Å²	147.3	90%	0.902	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-82.4	124.7	155.2	-68.2	179	152.8	0	0	107.7
14	C	33.4	Very low	42.5	Very low	106 Å²	106	141.3 Å²	141.3	72%	0.716	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-81.2	146.4	168.9	-67.5	0	0	0	0	109	D16	C14-D16 PolarHBondContact O-N 3.31Å
15	Q	33.7	Very low	43.3	Very low	179 Å²	179	133.3 Å²	133.3	84%	0.836	72%	0.715	S	S	*	*			trans	-84.5	109.2	166.6	-67.9	176.5	-58	0	0	107.3	D17	Q15-D17 PolarHBondContact O-N 3.16Å; Q15-D17 VanDerWaalsContact O-N 3.15Å
16	D	41.4	Very low	44.4	Very low	157 Å²	157	128.9 Å²	128.9	84%	0.84	68%	0.682	S	S	*	*			trans	-74.9	95.8	166.8	-75.9	-28.4	0	0	0	107.9	C14 E18	C14-D16 PolarHBondContact O-N 3.31Å; D16-E18 PolarHBondContact O-N 3.38Å
17	D	45.8	Very low	46	Very low	149 Å²	149	124.5 Å²	124.5	80%	0.797	67%	0.671	S	S	*	*			trans	-68.4	93.4	167.5	-74.8	-44.7	0	0	0	108.6	Q15 E19	Q15-D17 PolarHBondContact O-N 3.16Å; Q15-D17 VanDerWaalsContact O-N 3.15Å; D17-E19 PolarHBondContact O-N 2.86Å
18	E	52.1	Low	47.6	Very low	183 Å²	183	118.2 Å²	118.2	86%	0.855	65%	0.649	S	S	*	*			trans	-64.8	99.8	177.3	-155.7	-176.2	-168.3	0	0	109.2	D16 D20	D16-E18 PolarHBondContact O-N 3.38Å; E18-D20 PolarHBondContact O-N 2.99Å
19	E	54.2	Low	49.2	Very low	151 Å²	151	114.9 Å²	114.9	71%	0.706	62%	0.622	S	S	*	*			trans	-49.4	134.1	-178	-72	-172.1	138.1	0	0	111.6	D17 P21 V24	D17-E19 PolarHBondContact O-N 2.86Å; E19-P21 WeakPolarHBondContact O-CD 3.25Å; E19-V24 HydrophobicContact CB-CG2 3.7Å
20	D	59.4	Low	50.7	Low	83 Å²	83	114 Å²	114	44%	0.444	61%	0.605	S	S	.	*			trans	-55.7	126.9	-180	-171	-27.5	0	0	0	109.2	E18 L22 D23 V24	E18-D20 PolarHBondContact O-N 2.99Å; D20-L22 PolarHBondContact O-N 3.35Å; D20-L22 VanDerWaalsContact OD1-CB 3.27Å; D20-L22 WeakPolarHBondContact OD1-CB 3.39Å; D20-L22 PolarHBondContact OD1-N 3.46Å; D20-D23 HydrophobicContact CB-CB 4.23Å; D20-D23 WeakPolarHBondContact O-CA 3.42Å; D20-D23 PolarHBondContact O-N 2.94Å; D20-V24 PolarHBondContact O-N 3.13Å
21	P	58.2	Low	52.6	Low	107 Å²	107	105.2 Å²	105.2	70%	0.695	58%	0.582	S	S	*	*	H	α-helix	trans	-50.9	-23.3	171.6	-29.5	36.6	0	0	0	114.2	E19 F25	E19-P21 WeakPolarHBondContact O-CD 3.25Å; P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 3.01Å; P21-F25 VanDerWaalsContact O-N 3.17Å
22	L	52.5	Low	54.1	Low	98 Å²	98	104.9 Å²	104.9	51%	0.513	56%	0.562	S	S	.	*	H	α-helix	trans	-71.7	-43.8	169.8	-173.7	64.2	0	0	0	112.7	D20 F25 M26	D20-L22 PolarHBondContact O-N 3.35Å; D20-L22 VanDerWaalsContact OD1-CB 3.27Å; D20-L22 WeakPolarHBondContact OD1-CB 3.39Å; D20-L22 PolarHBondContact OD1-N 3.46Å; L22-F25 HydrophobicContact CD1-CD1 4.33Å; L22-F25 CarbonylContact O-C 3.55Å; L22-F25 WeakPolarHBondContact O-CB 3.4Å; L22-F25 PolarHBondContact O-N 2.94Å; L22-M26 WeakPolarHBondContact O-CG 3.25Å; L22-M26 PolarHBondContact O-N 3.48Å
23	D	57.6	Low	55.8	Low	102 Å²	102	96.1 Å²	96.1	55%	0.545	53%	0.527	S	S	.	.	H	α-helix	trans	-69.3	-42.6	178.5	-73.7	-25.6	0	0	0	111.1	D20 F25 M26 A27	D20-D23 HydrophobicContact CB-CB 4.23Å; D20-D23 WeakPolarHBondContact O-CA 3.42Å; D20-D23 PolarHBondContact O-N 2.94Å; D23-F25 PolarHBondContact O-N 3.3Å; D23-M26 PolarHBondContact O-N 2.99Å; D23-M26 VanDerWaalsContact O-N 3.14Å; D23-A27 WeakPolarHBondContact O-CB 3.36Å; D23-A27 PolarHBondContact O-N 3.49Å
24	V	66.1	Low	57.5	Low	69 Å²	69	93 Å²	93	42%	0.418	51%	0.511	S	S	.	.	H	α-helix	trans	-59.1	-36.1	171.4	-179.7	0	0	0	0	111.3	E19 D20 G28	E19-V24 HydrophobicContact CB-CG2 3.7Å; D20-V24 PolarHBondContact O-N 3.13Å; V24-G28 PolarHBondContact O-N 2.9Å; V24-G28 VanDerWaalsContact O-N 3.14Å
25	F	47.7	Very low	59.3	Low	44 Å²	44	92.9 Å²	92.9	19%	0.193	50%	0.498	C	S	.	.	H	α-helix	trans	-71.2	-41.3	175	171.8	-101.7	0	0	0	112.5	P21 L22 D23 G28 I29	P21-F25 WeakPolarHBondContact O-CB 3.38Å; P21-F25 PolarHBondContact O-N 3.01Å; P21-F25 VanDerWaalsContact O-N 3.17Å; L22-F25 HydrophobicContact CD1-CD1 4.33Å; L22-F25 CarbonylContact O-C 3.55Å; L22-F25 WeakPolarHBondContact O-CB 3.4Å; L22-F25 PolarHBondContact O-N 2.94Å; D23-F25 PolarHBondContact O-N 3.3Å; F25-G28 PolarHBondContact O-N 3.18Å; F25-I29 HydrophobicContact CD1-CD1 3.87Å; F25-I29 HydrophobicContact CD2-CD1 4.18Å; F25-I29 HydrophobicContact CE1-CD1 3.37Å; F25-I29 HydrophobicContact CE2-CD1 3.71Å; F25-I29 HydrophobicContact CG-CD1 4.26Å; F25-I29 HydrophobicContact CZ-CD1 3.28Å; F25-I29 PolarHBondContact O-N 3.33Å; F25-I29 VanDerWaalsContact O-N 3.1Å
26	M	61.4	Low	61	Low	26 Å²	26	85.5 Å²	85.5	13%	0.128	46%	0.464	C	S	.	.	H	α-helix	trans	-66.4	-45.8	176.5	-71.3	-46.8	-42.6	0	0	111.5	L22 D23 G28 I29 E30	L22-M26 WeakPolarHBondContact O-CG 3.25Å; L22-M26 PolarHBondContact O-N 3.48Å; D23-M26 PolarHBondContact O-N 2.99Å; D23-M26 VanDerWaalsContact O-N 3.14Å; M26-G28 VanDerWaalsContact C-N 3.28Å; M26-G28 PolarHBondContact O-N 3.08Å; M26-I29 PolarHBondContact O-N 2.96Å; M26-I29 VanDerWaalsContact O-N 3.1Å; M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.12Å
27	A	68	Low	62.4	Low	58 Å²	58	82.8 Å²	82.8	48%	0.479	45%	0.445	S	S	.	.	H	α-helix	trans	-57.4	-40.6	174.4	0	0	0	0	0	111.9	D23 E30 A31	D23-A27 WeakPolarHBondContact O-CB 3.36Å; D23-A27 PolarHBondContact O-N 3.49Å; A27-E30 PolarHBondContact O-N 2.94Å; A27-A31 WeakPolarHBondContact O-CB 3.4Å; A27-A31 PolarHBondContact O-N 3.3Å
28	G	68.8	Low	63.7	Low	46 Å²	46	80.3 Å²	80.3	47%	0.474	43%	0.429	S	S	.	.	H	α-helix	trans	-63.4	-38.8	174.8	0	0	0	0	0	113.8	V24 F25 M26 Q32	V24-G28 PolarHBondContact O-N 2.9Å; V24-G28 VanDerWaalsContact O-N 3.14Å; F25-G28 PolarHBondContact O-N 3.18Å; M26-G28 VanDerWaalsContact C-N 3.28Å; M26-G28 PolarHBondContact O-N 3.08Å; G28-Q32 PolarHBondContact O-N 3.12Å
29	I	66	Low	64.4	Low	38 Å²	38	75.2 Å²	75.2	20%	0.195	40%	0.404	C	S	.	.	H	α-helix	trans	-72	-43.8	175.9	-76.9	160	0	0	0	111.6	F25 M26 A31 Q32 A33 Q435	F25-I29 HydrophobicContact CD1-CD1 3.87Å; F25-I29 HydrophobicContact CD2-CD1 4.18Å; F25-I29 HydrophobicContact CE1-CD1 3.37Å; F25-I29 HydrophobicContact CE2-CD1 3.71Å; F25-I29 HydrophobicContact CG-CD1 4.26Å; F25-I29 HydrophobicContact CZ-CD1 3.28Å; F25-I29 PolarHBondContact O-N 3.33Å; F25-I29 VanDerWaalsContact O-N 3.1Å; M26-I29 PolarHBondContact O-N 2.96Å; M26-I29 VanDerWaalsContact O-N 3.1Å; I29-A31 VanDerWaalsContact C-N 3.34Å; I29-Q32 PolarHBondContact O-N 3.31Å; I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 2.92Å; I29-Q435 HydrophobicContact CG2-CG 3.87Å
30	E	66.8	Low	64.9	Low	92 Å²	92	70 Å²	70	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-67.8	-35.9	-179.4	-71.2	176.1	-170.7	0	0	111.1	M26 A27 A33 K34 K439	M26-E30 WeakPolarHBondContact O-CB 3.44Å; M26-E30 WeakPolarHBondContact O-CG 3.49Å; M26-E30 PolarHBondContact O-N 3.12Å; A27-E30 PolarHBondContact O-N 2.94Å; E30-A33 PolarHBondContact O-N 3.38Å; E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 3.28Å; E30-K439 IonicContact OE1-NZ 3.63Å; E30-K439 PolarHBondContact OE1-NZ 3.47Å
31	A	71.5	Confident	65.3	Low	53 Å²	53	70.1 Å²	70.1	44%	0.438	38%	0.382	S	S	.	.	H	α-helix	trans	-62	-40.2	169.7	0	0	0	0	0	112.7	A27 I29 K35	A27-A31 WeakPolarHBondContact O-CB 3.4Å; A27-A31 PolarHBondContact O-N 3.3Å; I29-A31 VanDerWaalsContact C-N 3.34Å; A31-K35 WeakPolarHBondContact O-CG 3.46Å; A31-K35 PolarHBondContact O-N 3.07Å; A31-K35 VanDerWaalsContact O-N 3.09Å
32	Q	66.5	Low	65.6	Low	65 Å²	65	71.1 Å²	71.1	30%	0.304	38%	0.377	S	S	.	.	H	α-helix	trans	-72.2	-43.7	176.3	-170.1	64.9	41.5	0	0	112	G28 I29 K34 K35 D36	G28-Q32 PolarHBondContact O-N 3.12Å; I29-Q32 PolarHBondContact O-N 3.31Å; Q32-K34 VanDerWaalsContact C-N 3.3Å; Q32-K34 PolarHBondContact O-N 3.19Å; Q32-K35 PolarHBondContact O-N 3.25Å; Q32-D36 PolarHBondContact NE2-OD1 3.06Å; Q32-D36 WeakPolarHBondContact O-CB 3.39Å; Q32-D36 PolarHBondContact O-N 3.28Å
33	A	66.2	Low	65.9	Low	20 Å²	20	73 Å²	73	17%	0.165	38%	0.383	C	S	.	.	H	α-helix	trans	-60.2	-41.5	176.6	0	0	0	0	0	111.3	I29 E30 D36 K37	I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 2.92Å; E30-A33 PolarHBondContact O-N 3.38Å; A33-D36 PolarHBondContact O-N 2.93Å; A33-K37 WeakPolarHBondContact O-CB 3.44Å; A33-K37 PolarHBondContact O-N 2.82Å
34	K	70.9	Confident	65.7	Low	128 Å²	128	72.1 Å²	72.1	56%	0.557	39%	0.39	S	S	*	.	H	α-helix	trans	-62.9	-43.5	174.7	-170.2	171.1	-173.5	-81.2	0	112.3	E30 Q32 K37 E38	E30-K34 WeakPolarHBondContact O-CB 3.46Å; E30-K34 PolarHBondContact O-N 3.28Å; Q32-K34 VanDerWaalsContact C-N 3.3Å; Q32-K34 PolarHBondContact O-N 3.19Å; K34-K37 PolarHBondContact O-N 3.49Å; K34-E38 WeakPolarHBondContact CE-OE1 3.15Å; K34-E38 IonicContact NZ-OE1 2.82Å; K34-E38 PolarHBondContact NZ-OE1 2.67Å; K34-E38 WeakPolarHBondContact O-CB 3.48Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 2.97Å
35	K	71.3	Confident	65.1	Low	103 Å²	103	75.5 Å²	75.5	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-63.6	-43.8	173.6	-77.5	178.1	177.8	-176.8	0	113.1	A31 Q32 K37 E38 K39	A31-K35 WeakPolarHBondContact O-CG 3.46Å; A31-K35 PolarHBondContact O-N 3.07Å; A31-K35 VanDerWaalsContact O-N 3.09Å; Q32-K35 PolarHBondContact O-N 3.25Å; K35-K37 VanDerWaalsContact C-N 3.25Å; K35-K37 PolarHBondContact O-N 3.45Å; K35-E38 PolarHBondContact O-N 3.33Å; K35-K39 VanDerWaalsContact O-CG 3.32Å; K35-K39 WeakPolarHBondContact O-CG 2.97Å; K35-K39 PolarHBondContact O-N 3.03Å; K35-K39 VanDerWaalsContact O-N 3.1Å
36	D	69.7	Low	65	Low	24 Å²	24	79 Å²	79	13%	0.128	42%	0.42	C	S	.	.	H	α-helix	trans	-63.6	-35.5	178.7	-72.1	1.8	0	0	0	110.3	Q32 A33 S40 H428	Q32-D36 PolarHBondContact NE2-OD1 3.06Å; Q32-D36 WeakPolarHBondContact O-CB 3.39Å; Q32-D36 PolarHBondContact O-N 3.28Å; A33-D36 PolarHBondContact O-N 2.93Å; D36-S40 PolarHBondContact O-N 3.09Å; D36-H428 HydrophobicContact CB-CB 3.9Å
37	K	70.5	Confident	63.7	Low	99 Å²	99	86.3 Å²	86.3	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-73.4	-43.5	174.1	177.6	171.5	177.2	169.6	0	113.9	A33 K34 K35 K39 S40 E41	A33-K37 WeakPolarHBondContact O-CB 3.44Å; A33-K37 PolarHBondContact O-N 2.82Å; K34-K37 PolarHBondContact O-N 3.49Å; K35-K37 VanDerWaalsContact C-N 3.25Å; K35-K37 PolarHBondContact O-N 3.45Å; K37-K39 PolarHBondContact O-N 3.49Å; K37-S40 PolarHBondContact O-N 2.87Å; K37-S40 PolarHBondContact O-OG 3.46Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; K37-E41 WeakPolarHBondContact CE-OE1 3.03Å; K37-E41 IonicContact NZ-OE1 3.73Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 PolarHBondContact O-N 3.27Å
38	E	72.2	Confident	62.2	Low	98 Å²	98	89.5 Å²	89.5	46%	0.458	47%	0.47	S	S	.	.	H	α-helix	trans	-58.1	-40.6	176.5	-77.7	167.4	173.8	0	0	110.4	K34 K35 E42	K34-E38 WeakPolarHBondContact CE-OE1 3.15Å; K34-E38 IonicContact NZ-OE1 2.82Å; K34-E38 PolarHBondContact NZ-OE1 2.67Å; K34-E38 WeakPolarHBondContact O-CB 3.48Å; K34-E38 VanDerWaalsContact O-CG 3.3Å; K34-E38 WeakPolarHBondContact O-CG 3.42Å; K34-E38 PolarHBondContact O-N 2.97Å; K35-E38 PolarHBondContact O-N 3.33Å; E38-E42 WeakPolarHBondContact O-CB 3.45Å; E38-E42 PolarHBondContact O-N 3.38Å
39	K	66.6	Low	60.5	Low	76 Å²	76	94.2 Å²	94.2	33%	0.33	49%	0.489	S	S	.	.	H	α-helix	trans	-67.5	-39.3	174.3	-68	171.2	-172.4	173.9	0	113.8	K35 K37 E42 H43 E261	K35-K39 VanDerWaalsContact O-CG 3.32Å; K35-K39 WeakPolarHBondContact O-CG 2.97Å; K35-K39 PolarHBondContact O-N 3.03Å; K35-K39 VanDerWaalsContact O-N 3.1Å; K37-K39 PolarHBondContact O-N 3.49Å; K39-E42 PolarHBondContact O-N 3.35Å; K39-H43 PolarHBondContact O-CD2 3.12Å; K39-H43 PolarHBondContact O-N 3.05Å; K39-E261 VanDerWaalsContact NZ-CD 3.3Å; K39-E261 IonicContact NZ-OE1 3.93Å; K39-E261 PolarHBondContact NZ-OE1 3.2Å; K39-E261 IonicContact NZ-OE2 2.95Å; K39-E261 PolarHBondContact NZ-OE2 2.74Å
40	S	64.4	Low	59.1	Low	42 Å²	42	101.6 Å²	101.6	29%	0.294	52%	0.522	S	S	.	.	H	α-helix	trans	-70.2	-37.1	177.6	64.9	0	0	0	0	112.1	D36 K37 E42 A44	D36-S40 PolarHBondContact O-N 3.09Å; K37-S40 PolarHBondContact O-N 2.87Å; K37-S40 PolarHBondContact O-OG 3.46Å; K37-S40 VanDerWaalsContact O-OG 3.04Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-A44 WeakPolarHBondContact O-CB 3.48Å; S40-A44 PolarHBondContact O-N 3.23Å; S40-A44 VanDerWaalsContact O-N 3.15Å
41	E	67.5	Low	57.5	Low	85 Å²	85	106.3 Å²	106.3	40%	0.397	54%	0.544	S	S	.	.	H	α-helix	trans	-68.5	-27.5	172.4	-82.2	-160.7	-138.8	0	0	114	K37 K45	K37-E41 WeakPolarHBondContact CE-OE1 3.03Å; K37-E41 IonicContact NZ-OE1 3.73Å; K37-E41 WeakPolarHBondContact O-CB 3.28Å; K37-E41 PolarHBondContact O-N 3.27Å; E41-K45 WeakPolarHBondContact O-CD 3.47Å; E41-K45 WeakPolarHBondContact O-CE 3.49Å; E41-K45 VanDerWaalsContact O-CG 3.28Å; E41-K45 WeakPolarHBondContact O-CG 3.47Å; E41-K45 PolarHBondContact O-NZ 3.12Å; E41-K45 IonicContact OE2-NZ 2.72Å; E41-K45 PolarHBondContact OE2-NZ 2.69Å
42	E	64.6	Low	55.7	Low	127 Å²	127	111.2 Å²	111.2	59%	0.593	56%	0.558	S	S	*	*	H	α-helix	trans	-80.1	-39.8	177.5	-172.6	164.8	-132.1	0	0	112.2	E38 K39 S40 K45 N46	E38-E42 WeakPolarHBondContact O-CB 3.45Å; E38-E42 PolarHBondContact O-N 3.38Å; K39-E42 PolarHBondContact O-N 3.35Å; S40-E42 VanDerWaalsContact C-N 3.33Å; E42-K45 PolarHBondContact O-N 2.77Å; E42-N46 PolarHBondContact O-ND2 3.48Å
43	H	59.1	Low	54.2	Low	138 Å²	138	114.2 Å²	114.2	64%	0.639	58%	0.576	S	S	*	*	H	α-helix	trans	-60.6	-44.2	170	-89.7	-77.5	0	0	0	111.9	K39 K45 N46	K39-H43 PolarHBondContact O-CD2 3.12Å; K39-H43 PolarHBondContact O-N 3.05Å; H43-K45 PolarHBondContact O-N 2.96Å; H43-N46 PolarHBondContact O-N 2.88Å
44	A	54.6	Low	52.6	Low	84 Å²	84	120.6 Å²	120.6	69%	0.694	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-2.8	-178.1	0	0	0	0	0	115.4	S40	S40-A44 WeakPolarHBondContact O-CB 3.48Å; S40-A44 PolarHBondContact O-N 3.23Å; S40-A44 VanDerWaalsContact O-N 3.15Å
45	K	52.4	Low	51.1	Low	140 Å²	140	121.7 Å²	121.7	61%	0.609	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	-6	179.9	-70	167.8	-165.3	150.4	0	113.6	E41 E42 H43	E41-K45 WeakPolarHBondContact O-CD 3.47Å; E41-K45 WeakPolarHBondContact O-CE 3.49Å; E41-K45 VanDerWaalsContact O-CG 3.28Å; E41-K45 WeakPolarHBondContact O-CG 3.47Å; E41-K45 PolarHBondContact O-NZ 3.12Å; E41-K45 IonicContact OE2-NZ 2.72Å; E41-K45 PolarHBondContact OE2-NZ 2.69Å; E42-K45 PolarHBondContact O-N 2.77Å; H43-K45 PolarHBondContact O-N 2.96Å
46	N	46.4	Very low	49.5	Very low	116 Å²	116	125.4 Å²	125.4	62%	0.62	62%	0.623	S	S	*	*			trans	-116.8	22.7	-168.5	-75.7	-40.7	0	0	0	114.1	E42 H43 P48	E42-N46 PolarHBondContact O-ND2 3.48Å; H43-N46 PolarHBondContact O-N 2.88Å; N46-P48 WeakPolarHBondContact O-CD 3.47Å
47	E	33.3	Very low	47.9	Very low	180 Å²	180	131.8 Å²	131.8	84%	0.841	66%	0.656	S	S	*	*			trans	-98.3	108.6	167.1	-70	-169.2	143.2	0	0	110.7
48	P	37.3	Very low	46.4	Very low	126 Å²	126	130.4 Å²	130.4	82%	0.818	66%	0.664	S	S	*	*			trans	-93	130.4	170.2	19.1	-2.3	0	0	0	110.8	N46	N46-P48 WeakPolarHBondContact O-CD 3.47Å
49	V	33.2	Very low	44.6	Very low	144 Å²	144	133 Å²	133	87%	0.873	68%	0.681	S	S	*	*			trans	-89.8	113.8	171.3	179.3	0	0	0	0	109.1
50	E	35.1	Very low	43.1	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	71%	0.708	S	S	*	*			trans	-159.6	159	162.4	-122.7	164.7	-143.1	0	0	112.9
51	E	33.9	Very low	41.7	Very low	191 Å²	191	144.3 Å²	144.3	89%	0.893	73%	0.732	S	S	*	*			trans	-97.9	175.6	-161.4	-64.6	-179.8	120.5	0	0	115.4
52	E	33	Very low	40.1	Very low	157 Å²	157	149.3 Å²	149.3	73%	0.734	75%	0.752	S	S	*	*			trans	-39.1	138.9	-178.3	-46.7	-174.4	142.4	0	0	118
53	N	34.9	Very low	38.5	Very low	127 Å²	127	151.6 Å²	151.6	68%	0.679	77%	0.768	S	S	*	*				-176.2	166.7	89.2	-109.1	-70.4	0	0	0	116.9
54	K	33.5	Very low	37.4	Very low	154 Å²	154	150.8 Å²	150.8	67%	0.67	77%	0.772	S	S	*	*			trans	-83.8	143.8	-171	-56.2	130.9	-179.9	151.9	0	113.7
55	H	38.8	Very low	36.3	Very low	151 Å²	151	152.2 Å²	152.2	70%	0.699	78%	0.777	S	S	*	*				160.6	147	102.5	-98.2	-63.2	0	0	0	116.5
56	K	38	Very low	35.3	Very low	182 Å²	182	153.2 Å²	153.2	79%	0.791	78%	0.784	S	S	*	*			trans	72.4	148.1	148.5	-70.8	161.4	-169.9	172.1	0	117.5
57	L	37.1	Very low	34.8	Very low	157 Å²	157	155.8 Å²	155.8	82%	0.822	79%	0.792	S	S	*	*			cis	-167.4	133.8	-12.3	172.2	63.8	0	0	0	112.2
58	A	38	Very low	34.8	Very low	71 Å²	71	155.9 Å²	155.9	59%	0.587	79%	0.79	S	S	*	*			trans	66.2	129.8	151.3	0	0	0	0	0	124.2
59	N	35	Very low	34.8	Very low	153 Å²	153	156.6 Å²	156.6	82%	0.818	79%	0.787	S	S	*	*			trans	67.9	107.2	135.5	-59.7	5.5	0	0	0	121.9
60	K	35.9	Very low	34.9	Very low	204 Å²	204	157.6 Å²	157.6	89%	0.887	78%	0.782	S	S	*	*				-165	148.7	105.1	-107.2	170.4	-176.2	175	0	113.1
61	D	34.7	Very low	35.2	Very low	151 Å²	151	151.7 Å²	151.7	81%	0.807	77%	0.767	S	S	*	*			trans	-85.1	138.8	-172.2	-39	-99.6	0	0	0	113.6
62	K	33.5	Very low	35.7	Very low	190 Å²	190	148.1 Å²	148.1	83%	0.826	75%	0.753	S	S	*	*				176	111.9	122.2	-97.9	170.4	-180	-176.6	0	114.4	V64	K62-V64 PolarHBondContact O-N 3.21Å
63	L	31	Very low	36.3	Very low	175 Å²	175	149.6 Å²	149.6	92%	0.916	76%	0.76	S	S	*	*			trans	50	62.4	131.2	-115	129	0	0	0	119.2
64	V	35.2	Very low	37.3	Very low	120 Å²	120	148.4 Å²	148.4	73%	0.727	75%	0.754	S	S	*	*			trans	-132.4	131	145.3	-176.8	0	0	0	0	107.7	K62 E66	K62-V64 PolarHBondContact O-N 3.21Å; V64-E66 HydrophobicContact CG1-CG 3.94Å; V64-E66 PolarHBondContact O-N 3.39Å
65	S	32.1	Very low	38.5	Very low	115 Å²	115	144.1 Å²	144.1	80%	0.804	74%	0.738	S	S	*	*			trans	-88.5	83.2	172.9	54.6	0	0	0	0	109.7	E67	S65-E67 PolarHBondContact O-N 3.37Å
66	E	32.6	Very low	40.2	Very low	161 Å²	161	142.6 Å²	142.6	75%	0.752	73%	0.729	S	S	*	*			trans	-74.5	87.1	172.1	-64.3	-177.3	163.2	0	0	109.8	V64 K68	V64-E66 HydrophobicContact CG1-CG 3.94Å; V64-E66 PolarHBondContact O-N 3.39Å; E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 2.98Å
67	E	34.8	Very low	41.9	Very low	169 Å²	169	136.5 Å²	136.5	79%	0.79	71%	0.706	S	S	*	*			trans	-65.2	95.6	160.4	-74.1	-172.2	-179	0	0	108	S65	S65-E67 PolarHBondContact O-N 3.37Å
68	K	33.9	Very low	43.7	Very low	183 Å²	183	139 Å²	139	80%	0.796	71%	0.713	S	S	*	*			trans	-58.7	138.8	168	-71.8	-175.6	174.1	-175.1	0	109.2	E66 E70	E66-K68 VanDerWaalsContact C-N 3.31Å; E66-K68 PolarHBondContact O-N 2.98Å; K68-E70 PolarHBondContact O-N 3.16Å; K68-E70 VanDerWaalsContact O-N 3.1Å
69	D	35.8	Very low	45.2	Very low	141 Å²	141	143.5 Å²	143.5	75%	0.754	72%	0.722	S	S	*	*			trans	-58.1	116.3	173.3	-71.7	-76.9	0	0	0	110.6	A71	D69-A71 PolarHBondContact O-N 3.26Å
70	E	36	Very low	46.5	Very low	164 Å²	164	138.6 Å²	138.6	77%	0.766	71%	0.707	S	S	*	*			trans	-66.3	78.3	164	-69.9	-178.6	-176.4	0	0	109.4	K68 D72	K68-E70 PolarHBondContact O-N 3.16Å; K68-E70 VanDerWaalsContact O-N 3.1Å; E70-D72 PolarHBondContact O-N 3.42Å
71	A	40.7	Very low	47.7	Very low	70 Å²	70	132.6 Å²	132.6	58%	0.579	69%	0.685	S	S	*	*			trans	-55.4	133.1	151	0	0	0	0	0	107.3	D69 E73	D69-A71 PolarHBondContact O-N 3.26Å; A71-E73 PolarHBondContact O-N 2.98Å
72	D	45.6	Very low	48.7	Very low	115 Å²	115	129.3 Å²	129.3	62%	0.615	67%	0.671	S	S	*	*			trans	-59.1	100.7	-163.5	-76	-64.6	0	0	0	112.3	E70 L74 K88	E70-D72 PolarHBondContact O-N 3.42Å; D72-L74 PolarHBondContact O-N 2.87Å; D72-L74 VanDerWaalsContact O-N 3.11Å; D72-K88 IonicContact OD1-NZ 3.85Å; D72-K88 PolarHBondContact OD1-NZ 3.43Å
73	E	44.9	Very low	49.5	Very low	189 Å²	189	123.1 Å²	123.1	88%	0.883	65%	0.647	S	S	*	*			trans	-61.5	111.8	179.4	-168	170.7	-131.5	0	0	109	A71 D75	A71-E73 PolarHBondContact O-N 2.98Å; E73-D75 PolarHBondContact O-N 3.39Å; E73-D75 VanDerWaalsContact O-N 3.1Å
74	L	55.6	Low	50.4	Low	102 Å²	102	119.9 Å²	119.9	53%	0.534	64%	0.637	S	S	.	*			trans	-71.6	105.8	179.9	-71.3	172	0	0	0	108.8	D72 F76	D72-L74 PolarHBondContact O-N 2.87Å; D72-L74 VanDerWaalsContact O-N 3.11Å; L74-F76 HydrophobicContact CB-CE2 3.9Å; L74-F76 HydrophobicContact CB-CZ 4.14Å; L74-F76 WeakPolarHBondContact O-CD2 3.26Å; L74-F76 WeakPolarHBondContact O-CE2 3.27Å; L74-F76 PolarHBondContact O-N 3.27Å
75	D	58.8	Low	51	Low	63 Å²	63	119.1 Å²	119.1	34%	0.337	63%	0.634	S	S	.	*			trans	-52.7	135.8	160	-82.1	-65	0	0	0	109.3	E73 L83 K86	E73-D75 PolarHBondContact O-N 3.39Å; E73-D75 VanDerWaalsContact O-N 3.1Å; D75-L83 HydrophobicContact CB-CB 3.9Å; D75-L83 HydrophobicContact CB-CD1 4.01Å; D75-L83 WeakPolarHBondContact O-CB 3.27Å; D75-L83 PolarHBondContact O-N 3.23Å; D75-K86 IonicContact OD1-NZ 3.01Å; D75-K86 PolarHBondContact OD1-NZ 3.19Å; D75-K86 VanDerWaalsContact OD2-CD 3.26Å; D75-K86 WeakPolarHBondContact OD2-CD 3.32Å; D75-K86 WeakPolarHBondContact OD2-CE 3.49Å; D75-K86 IonicContact OD2-NZ 2.72Å; D75-K86 PolarHBondContact OD2-NZ 3.11Å
76	F	74.4	Confident	51.6	Low	119 Å²	119	120 Å²	120	52%	0.522	62%	0.624	S	S	.	*	B	Isolated β-bridge	trans	-115.2	152.6	168.2	-65.6	-94	0	0	0	110	L74 G80 N81 P82	L74-F76 HydrophobicContact CB-CE2 3.9Å; L74-F76 HydrophobicContact CB-CZ 4.14Å; L74-F76 WeakPolarHBondContact O-CD2 3.26Å; L74-F76 WeakPolarHBondContact O-CE2 3.27Å; L74-F76 PolarHBondContact O-N 3.27Å; F76-G80 WeakPolarHBondContact CD1-O 3.45Å; F76-N81 CarbonylContact C-O 3.54Å; F76-N81 VanDerWaalsContact CA-O 3.28Å; F76-N81 WeakPolarHBondContact CA-O 3.17Å; F76-P82 HydrophobicContact CD1-CB 4.12Å; F76-P82 HydrophobicContact CE1-CB 3.85Å; F76-P82 HydrophobicContact CE1-CG 4.42Å
77	D	74.4	Confident	52.5	Low	55 Å²	55	122.3 Å²	122.3	29%	0.294	63%	0.631	S	S	.	*			trans	-81.8	178.1	171.2	64.3	20.8	0	0	0	112.4	E79 G80 N81 L83	D77-E79 PolarHBondContact O-N 3.27Å; D77-E79 VanDerWaalsContact O-N 3.08Å; D77-E79 WeakPolarHBondContact OD1-CA 3.39Å; D77-E79 WeakPolarHBondContact OD1-CB 3.32Å; D77-E79 PolarHBondContact OD1-N 3.39Å; D77-G80 PolarHBondContact O-N 3.48Å; D77-G80 VanDerWaalsContact O-N 3.1Å; D77-G80 PolarHBondContact OD1-N 3.33Å; D77-N81 PolarHBondContact N-O 3.4Å; D77-N81 PolarHBondContact OD1-N 3.47Å; D77-N81 PolarHBondContact OD1-ND2 2.93Å; D77-N81 VanDerWaalsContact OD1-ND2 3.15Å; D77-N81 WeakPolarHBondContact OD2-CB 3.32Å; D77-N81 PolarHBondContact OD2-ND2 3.31Å; D77-L83 HydrophobicContact CB-CD1 4.27Å; D77-L83 HydrophobicContact CB-CD2 4.1Å; D77-L83 HydrophobicContact CB-CG 4.07Å
78	E	75.9	Confident	53.4	Low	209 Å²	209	120.5 Å²	120.5	98%	0.977	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.5	-10.9	178.7	-62.2	-175	173.8	0	0	113.4
79	E	68.9	Low	54.9	Low	166 Å²	166	119.5 Å²	119.5	78%	0.776	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-3.7	-179.7	-62.6	173.8	-173.5	0	0	112.2	D77	D77-E79 PolarHBondContact O-N 3.27Å; D77-E79 VanDerWaalsContact O-N 3.08Å; D77-E79 WeakPolarHBondContact OD1-CA 3.39Å; D77-E79 WeakPolarHBondContact OD1-CB 3.32Å; D77-E79 PolarHBondContact OD1-N 3.39Å
80	G	61.7	Low	56.3	Low	49 Å²	49	115 Å²	115	51%	0.505	59%	0.589	S	S	.	*	S	Bend	trans	83.8	14.4	179.5	0	0	0	0	0	114.8	F76 D77	F76-G80 WeakPolarHBondContact CD1-O 3.45Å; D77-G80 PolarHBondContact O-N 3.48Å; D77-G80 VanDerWaalsContact O-N 3.1Å; D77-G80 PolarHBondContact OD1-N 3.33Å
81	N	61.5	Low	58.2	Low	79 Å²	79	111.7 Å²	111.7	42%	0.422	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-83.1	138.1	172.4	-45.4	-75.6	0	0	0	110.1	F76 D77 L83	F76-N81 CarbonylContact C-O 3.54Å; F76-N81 VanDerWaalsContact CA-O 3.28Å; F76-N81 WeakPolarHBondContact CA-O 3.17Å; D77-N81 PolarHBondContact N-O 3.4Å; D77-N81 PolarHBondContact OD1-N 3.47Å; D77-N81 PolarHBondContact OD1-ND2 2.93Å; D77-N81 VanDerWaalsContact OD1-ND2 3.15Å; D77-N81 WeakPolarHBondContact OD2-CB 3.32Å; D77-N81 PolarHBondContact OD2-ND2 3.31Å; N81-L83 PolarHBondContact O-N 3.13Å
82	P	56.4	Low	60.2	Low	81 Å²	81	111.2 Å²	111.2	53%	0.526	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-66.2	118.2	174.4	26.4	-33	0	0	0	110	F76	F76-P82 HydrophobicContact CD1-CB 4.12Å; F76-P82 HydrophobicContact CE1-CB 3.85Å; F76-P82 HydrophobicContact CE1-CG 4.42Å
83	L	50.4	Low	62.3	Low	60 Å²	60	106.2 Å²	106.2	31%	0.314	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-67.1	139.3	176.6	-77.7	165.8	0	0	0	109.6	D75 D77 N81	D75-L83 HydrophobicContact CB-CB 3.9Å; D75-L83 HydrophobicContact CB-CD1 4.01Å; D75-L83 WeakPolarHBondContact O-CB 3.27Å; D75-L83 PolarHBondContact O-N 3.23Å; D77-L83 HydrophobicContact CB-CD1 4.27Å; D77-L83 HydrophobicContact CB-CD2 4.1Å; D77-L83 HydrophobicContact CB-CG 4.07Å; N81-L83 PolarHBondContact O-N 3.13Å
84	P	49.1	Very low	64.2	Low	107 Å²	107	101.4 Å²	101.4	70%	0.695	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-60.5	128.1	175.4	25.8	-33.4	0	0	0	108.7	K86	P84-K86 PolarHBondContact O-N 2.84Å
85	P	48.6	Very low	65.6	Low	105 Å²	105	101.2 Å²	101.2	68%	0.682	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-54.3	119.8	-165.8	17.2	-31.4	0	0	0	110.7	K87	P85-K87 PolarHBondContact O-N 3.48Å; P85-K87 VanDerWaalsContact O-N 3.1Å
86	K	44.9	Very low	67	Low	134 Å²	134	100.2 Å²	100.2	58%	0.583	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-50.8	122	180	-66.8	167.9	-171.9	145.1	0	107.3	D75 P84 K88	D75-K86 IonicContact OD1-NZ 3.01Å; D75-K86 PolarHBondContact OD1-NZ 3.19Å; D75-K86 VanDerWaalsContact OD2-CD 3.26Å; D75-K86 WeakPolarHBondContact OD2-CD 3.32Å; D75-K86 WeakPolarHBondContact OD2-CE 3.49Å; D75-K86 IonicContact OD2-NZ 2.72Å; D75-K86 PolarHBondContact OD2-NZ 3.11Å; P84-K86 PolarHBondContact O-N 2.84Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 2.99Å
87	K	50.8	Low	67.9	Low	208 Å²	208	99 Å²	99	90%	0.904	53%	0.533	S	S	*	.			trans	-57.7	97.4	-178.1	-69.7	-179.6	-178.9	175.6	0	108.8	P85 Y89	P85-K87 PolarHBondContact O-N 3.48Å; P85-K87 VanDerWaalsContact O-N 3.1Å; K87-Y89 PolarHBondContact O-N 2.84Å
88	K	53.1	Low	68.7	Low	132 Å²	132	98.3 Å²	98.3	57%	0.574	53%	0.528	S	S	*	.			trans	-50.2	107.6	-175.2	-74.7	178.2	172.8	172.6	0	107.6	D72 K86 I90	D72-K88 IonicContact OD1-NZ 3.85Å; D72-K88 PolarHBondContact OD1-NZ 3.43Å; K86-K88 VanDerWaalsContact C-N 3.34Å; K86-K88 PolarHBondContact O-N 2.99Å; K88-I90 PolarHBondContact O-N 2.89Å
89	Y	64.7	Low	69.5	Low	162 Å²	162	94.5 Å²	94.5	64%	0.635	52%	0.52	S	S	*	.			trans	-72	98.9	178.6	178.8	-95	0	0	0	106	K87 D91	K87-Y89 PolarHBondContact O-N 2.84Å; Y89-D91 VanDerWaalsContact C-N 3.25Å; Y89-D91 WeakPolarHBondContact CD1-OD1 3.28Å; Y89-D91 VanDerWaalsContact CE1-OD1 3.25Å; Y89-D91 WeakPolarHBondContact CE1-OD1 2.99Å; Y89-D91 PolarHBondContact O-N 3.18Å
90	I	65.9	Low	70.6	Confident	47 Å²	47	90.9 Å²	90.9	24%	0.241	51%	0.513	C	S	.	.			trans	-69.8	94.1	177.5	-56.7	177.6	0	0	0	106.4	K88 G278 I281 Q313	K88-I90 PolarHBondContact O-N 2.89Å; I90-G278 VanDerWaalsContact CD1-CA 3.44Å; I90-I281 HydrophobicContact CG2-CB 4.01Å; I90-I281 HydrophobicContact CG2-CG2 3.75Å; I90-Q313 PolarHBondContact O-NE2 2.92Å; I90-Q313 VanDerWaalsContact O-NE2 3.17Å
91	D	76.7	Confident	72.1	Confident	94 Å²	94	91.1 Å²	91.1	50%	0.503	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-47.1	141.7	172.7	-88.4	-28.8	0	0	0	109.4	Y89 I281 K285	Y89-D91 VanDerWaalsContact C-N 3.25Å; Y89-D91 WeakPolarHBondContact CD1-OD1 3.28Å; Y89-D91 VanDerWaalsContact CE1-OD1 3.25Å; Y89-D91 WeakPolarHBondContact CE1-OD1 2.99Å; Y89-D91 PolarHBondContact O-N 3.18Å; D91-I281 WeakPolarHBondContact O-CG2 3.39Å; D91-K285 VanDerWaalsContact C-NZ 3.33Å; D91-K285 PolarHBondContact O-NZ 3.43Å
92	P	82.8	Confident	73.6	Confident	60 Å²	60	96.8 Å²	96.8	39%	0.39	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-57.7	159.7	174.5	26.6	-34.8	0	0	0	111.8	K285 S316	P92-K285 WeakPolarHBondContact O-CE 3.3Å; P92-K285 PolarHBondContact O-NZ 2.72Å; P92-S316 VanDerWaalsContact CB-OG 3.31Å; P92-S316 WeakPolarHBondContact CB-OG 3.38Å
93	L	88.9	Confident	75.4	Confident	10 Å²	10	95.3 Å²	95.3	5%	0.052	51%	0.51	C	S	.	.	P	Polyproline II helix	trans	-59.9	146.9	161.8	-64.5	169.8	0	0	0	109.6	I281 V284 K285 L291 S316 H320	L93-I281 HydrophobicContact CD1-CG1 4.26Å; L93-I281 HydrophobicContact CD2-CB 4.39Å; L93-I281 HydrophobicContact CD2-CG2 3.9Å; L93-I281 HydrophobicContact CG-CB 4.39Å; L93-I281 HydrophobicContact CG-CG1 4.02Å; L93-I281 HydrophobicContact CG-CG2 4.03Å; L93-V284 HydrophobicContact CD1-CG1 4.33Å; L93-V284 HydrophobicContact CD2-CB 3.88Å; L93-V284 HydrophobicContact CD2-CG1 3.7Å; L93-K285 HydrophobicContact CD2-CG 3.97Å; L93-L291 HydrophobicContact CD1-CD1 4.26Å; L93-S316 WeakPolarHBondContact CB-OG 3.32Å; L93-S316 PolarHBondContact N-OG 3.02Å; L93-S316 PolarHBondContact O-OG 3.18Å; L93-H320 HydrophobicContact CB-CB 4.38Å; L93-H320 HydrophobicContact CD1-CB 3.94Å
94	P	85	Confident	77.3	Confident	88 Å²	88	95.4 Å²	95.4	57%	0.571	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-59	148.4	171.1	27.6	-34.7	0	0	0	110.2	H320	P94-H320 PolarHBondContact O-ND1 3.11Å
95	A	84.2	Confident	79.5	Confident	98 Å²	98	96.4 Å²	96.4	81%	0.81	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-66.1	137.6	171.4	0	0	0	0	0	109.9
96	V	89.6	Confident	81.7	Confident	42 Å²	42	93.1 Å²	93.1	26%	0.255	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-99.9	132.4	176.6	174.3	0	0	0	0	108.8	H98 I101 H320	V96-H98 VanDerWaalsContact C-N 3.31Å; V96-H98 PolarHBondContact O-CD2 2.97Å; V96-H98 PolarHBondContact O-N 3.11Å; V96-I101 HydrophobicContact CG1-CD1 3.54Å; V96-H320 VanDerWaalsContact CG2-CE1 3.47Å; V96-H320 WeakPolarHBondContact CG2-CE1 3.48Å; V96-H320 WeakPolarHBondContact CG2-ND1 3.31Å
97	D	91.9	Very high	84	Confident	92 Å²	92	91.3 Å²	91.3	49%	0.492	48%	0.484	S	S	.	.			trans	-78.9	85.8	168	-172.3	-4.6	0	0	0	109.7	T99 S100	D97-T99 PolarHBondContact O-N 3.47Å; D97-T99 WeakPolarHBondContact OD1-CB 3.48Å; D97-T99 PolarHBondContact OD1-N 3.01Å; D97-T99 PolarHBondContact OD1-OG1 2.72Å; D97-S100 PolarHBondContact O-N 3.3Å; D97-S100 PolarHBondContact O-OG 2.82Å
98	H	92.7	Very high	86	Confident	41 Å²	41	84.6 Å²	84.6	19%	0.19	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-11.4	176.5	-62.4	-68.8	0	0	0	113.5	V96 S100 Y103 N319 I321	V96-H98 VanDerWaalsContact C-N 3.31Å; V96-H98 PolarHBondContact O-CD2 2.97Å; V96-H98 PolarHBondContact O-N 3.11Å; H98-S100 VanDerWaalsContact C-N 3.31Å; H98-Y103 HydrophobicContact CB-CE2 4.24Å; H98-Y103 AromaticContact ND1-CE2 3.98Å; H98-Y103 AromaticContact ND1-CZ 3.76Å; H98-Y103 PolarHBondContact ND1-OH 2.64Å; H98-N319 PolarHBondContact NE2-O 3.32Å; H98-I321 VanDerWaalsContact CE1-C 3.45Å; H98-I321 PolarHBondContact CE1-O 3.38Å; H98-I321 PolarHBondContact NE2-O 3.16Å
99	T	92.3	Very high	88	Confident	130 Å²	130	82.7 Å²	82.7	80%	0.798	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-14.2	173.4	76.3	0	0	0	0	113	D97	D97-T99 PolarHBondContact O-N 3.47Å; D97-T99 WeakPolarHBondContact OD1-CB 3.48Å; D97-T99 PolarHBondContact OD1-N 3.01Å; D97-T99 PolarHBondContact OD1-OG1 2.72Å
100	S	92.7	Very high	89.2	Confident	89 Å²	89	77 Å²	77	62%	0.622	43%	0.43	S	S	*	.	S	Bend	trans	-92.2	-4.4	177.7	71.5	0	0	0	0	114.2	D97 H98	D97-S100 PolarHBondContact O-N 3.3Å; D97-S100 PolarHBondContact O-OG 2.82Å; H98-S100 VanDerWaalsContact C-N 3.31Å
101	I	92.2	Very high	90.5	Very high	55 Å²	55	76.1 Å²	76.1	28%	0.282	42%	0.423	S	S	.	.			trans	-114.1	119.6	-173.3	-59.4	169.2	0	0	0	110.2	V96 Y103	V96-I101 HydrophobicContact CG1-CD1 3.54Å; I101-Y103 HydrophobicContact CB-CD2 4.32Å; I101-Y103 HydrophobicContact CB-CE1 4.47Å; I101-Y103 HydrophobicContact CB-CE2 3.76Å; I101-Y103 WeakPolarHBondContact CD1-OH 3.29Å; I101-Y103 HydrophobicContact CG2-CD1 3.99Å; I101-Y103 HydrophobicContact CG2-CD2 4.08Å; I101-Y103 HydrophobicContact CG2-CE1 3.64Å; I101-Y103 HydrophobicContact CG2-CE2 3.76Å; I101-Y103 HydrophobicContact CG2-CG 4.19Å; I101-Y103 WeakPolarHBondContact O-CD2 3.47Å; I101-Y103 PolarHBondContact O-N 3.48Å
102	E	92.9	Very high	91.3	Very high	198 Å²	198	80 Å²	80	93%	0.925	44%	0.438	S	S	*	.			trans	-79.4	96.8	171.5	-173.4	169.9	-163.9	0	0	109.6
103	Y	93.4	Very high	91.9	Very high	50 Å²	50	80.4 Å²	80.4	20%	0.196	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-79.6	134.5	178.4	-69.8	-74.5	0	0	0	112	H98 I101 R322	H98-Y103 HydrophobicContact CB-CE2 4.24Å; H98-Y103 AromaticContact ND1-CE2 3.98Å; H98-Y103 AromaticContact ND1-CZ 3.76Å; H98-Y103 PolarHBondContact ND1-OH 2.64Å; I101-Y103 HydrophobicContact CB-CD2 4.32Å; I101-Y103 HydrophobicContact CB-CE1 4.47Å; I101-Y103 HydrophobicContact CB-CE2 3.76Å; I101-Y103 WeakPolarHBondContact CD1-OH 3.29Å; I101-Y103 HydrophobicContact CG2-CD1 3.99Å; I101-Y103 HydrophobicContact CG2-CD2 4.08Å; I101-Y103 HydrophobicContact CG2-CE1 3.64Å; I101-Y103 HydrophobicContact CG2-CE2 3.76Å; I101-Y103 HydrophobicContact CG2-CG 4.19Å; I101-Y103 WeakPolarHBondContact O-CD2 3.47Å; I101-Y103 PolarHBondContact O-N 3.48Å; Y103-R322 HydrophobicContact CD1-CB 3.93Å; Y103-R322 HydrophobicContact CD2-CB 4.23Å; Y103-R322 HydrophobicContact CE1-CB 3.72Å; Y103-R322 HydrophobicContact CE2-CB 4.01Å; Y103-R322 HydrophobicContact CG-CB 4.19Å
104	E	92	Very high	92.2	Very high	62 Å²	62	82.8 Å²	82.8	29%	0.29	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-62.2	143.1	171.8	68	-167	163.7	0	0	111.7	R212 R293 R322	E104-R212 VanDerWaalsContact CD-NH2 3.35Å; E104-R212 IonicContact OE1-CZ 3.57Å; E104-R212 IonicContact OE1-NE 3.88Å; E104-R212 IonicContact OE1-NH2 2.96Å; E104-R212 PolarHBondContact OE1-NH2 3.46Å; E104-R212 VanDerWaalsContact OE1-NH2 3.11Å; E104-R212 IonicContact OE2-CZ 2.69Å; E104-R212 IonicContact OE2-NE 3.75Å; E104-R212 PolarHBondContact OE2-NE 3.41Å; E104-R212 IonicContact OE2-NH2 3.71Å; E104-R212 PolarHBondContact OE2-NH2 3.37Å; E104-R293 WeakPolarHBondContact OE1-CD 3.46Å; E104-R293 IonicContact OE1-CZ 2.93Å; E104-R293 IonicContact OE1-NE 2.86Å; E104-R293 IonicContact OE1-NH1 3.91Å; E104-R293 PolarHBondContact OE1-NH1 3.27Å; E104-R293 IonicContact OE2-NH1 3.68Å; E104-R322 VanDerWaalsContact O-CZ 3.32Å; E104-R322 PolarHBondContact O-NH1 3.18Å; E104-R322 PolarHBondContact O-NH2 2.86Å
105	P	94.1	Very high	92.7	Very high	127 Å²	127	82.3 Å²	82.3	83%	0.825	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-67.9	150.2	173.3	30.3	-35.1	0	0	0	111
106	F	95.3	Very high	93.1	Very high	36 Å²	36	81.9 Å²	81.9	16%	0.158	43%	0.429	C	S	.	.			trans	-140.1	146.1	173.3	68.7	-75.2	0	0	0	108.9	K108 H207 Q211 T295 D324	F106-K108 HydrophobicContact CD2-CB 4.33Å; F106-K108 HydrophobicContact CE2-CB 3.98Å; F106-K108 HydrophobicContact CE2-CD 3.93Å; F106-K108 HydrophobicContact CE2-CG 4.36Å; F106-K108 HydrophobicContact CZ-CD 4.22Å; F106-H207 AromaticContact CD2-CE1 3.88Å; F106-H207 AromaticContact CE2-CE1 3.8Å; F106-Q211 HydrophobicContact CB-CG 4.14Å; F106-T295 HydrophobicContact CB-CG2 4.16Å; F106-T295 HydrophobicContact CD1-CG2 3.58Å; F106-T295 HydrophobicContact CD2-CG2 3.8Å; F106-T295 HydrophobicContact CE1-CG2 3.85Å; F106-T295 HydrophobicContact CE2-CG2 4.05Å; F106-T295 HydrophobicContact CG-CG2 3.56Å; F106-T295 HydrophobicContact CZ-CG2 4.08Å; F106-D324 WeakPolarHBondContact CZ-O 3.49Å
107	E	93.9	Very high	93.3	Very high	97 Å²	97	80 Å²	80	45%	0.453	42%	0.417	S	S	.	.			trans	-81.5	155	168.7	-172.5	48.5	-103	0	0	109.9	N109 F110 D210	E107-N109 PolarHBondContact OE1-N 3.45Å; E107-F110 HydrophobicContact CB-CE1 4.03Å; E107-F110 HydrophobicContact CG-CD1 4.3Å; E107-F110 HydrophobicContact CG-CE1 3.81Å; E107-F110 WeakPolarHBondContact O-CZ 3.43Å; E107-D210 WeakPolarHBondContact CB-OD2 3.47Å
108	K	92.8	Very high	93.4	Very high	66 Å²	66	78 Å²	78	29%	0.287	41%	0.414	S	S	.	.			trans	-145.7	-9	178.3	59.5	-179.1	-179	-176.5	0	114.9	F106 F110 G183 D324	F106-K108 HydrophobicContact CD2-CB 4.33Å; F106-K108 HydrophobicContact CE2-CB 3.98Å; F106-K108 HydrophobicContact CE2-CD 3.93Å; F106-K108 HydrophobicContact CE2-CG 4.36Å; F106-K108 HydrophobicContact CZ-CD 4.22Å; K108-F110 VanDerWaalsContact CA-CZ 3.49Å; K108-F110 WeakPolarHBondContact O-CE2 3.45Å; K108-G183 WeakPolarHBondContact O-CA 3.37Å; K108-G183 PolarHBondContact O-N 2.88Å; K108-D324 PolarHBondContact NZ-O 3.34Å
109	N	93.9	Very high	93.5	Very high	92 Å²	92	79.9 Å²	79.9	49%	0.492	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-104.7	87.4	-179.4	176.7	50.3	0	0	0	111.3	E107 M181 S182	E107-N109 PolarHBondContact OE1-N 3.45Å; N109-M181 CarbonylContact C-O 3.56Å; N109-S182 VanDerWaalsContact OD1-CA 3.26Å; N109-S182 WeakPolarHBondContact OD1-CA 3.34Å
110	F	90	Very high	93.5	Very high	43 Å²	43	75.7 Å²	75.7	19%	0.189	41%	0.408	C	S	.	.			trans	-102.1	8.4	-179.1	-37.1	-74	0	0	0	113	E107 K108 E112 M181 H207 D210	E107-F110 HydrophobicContact CB-CE1 4.03Å; E107-F110 HydrophobicContact CG-CD1 4.3Å; E107-F110 HydrophobicContact CG-CE1 3.81Å; E107-F110 WeakPolarHBondContact O-CZ 3.43Å; K108-F110 VanDerWaalsContact CA-CZ 3.49Å; K108-F110 WeakPolarHBondContact O-CE2 3.45Å; F110-E112 PolarHBondContact O-N 2.91Å; F110-M181 PolarHBondContact N-O 2.99Å; F110-H207 HydrophobicContact CE2-CB 3.92Å; F110-H207 AromaticContact CE2-ND1 3.76Å; F110-H207 HydrophobicContact CZ-CB 4.47Å; F110-D210 HydrophobicContact CD1-CB 4.26Å; F110-D210 HydrophobicContact CE1-CB 3.51Å; F110-D210 HydrophobicContact CZ-CB 4.11Å
111	Y	93.5	Very high	93.6	Very high	28 Å²	28	75.1 Å²	75.1	11%	0.11	40%	0.402	C	S	.	.			trans	-89.6	100.7	-174	-176.8	-110.9	0	0	0	113	E113 P142 P178 M181	Y111-E113 HydrophobicContact CE1-CB 3.76Å; Y111-E113 HydrophobicContact CE1-CG 4.22Å; Y111-P142 HydrophobicContact CD1-CB 4.47Å; Y111-P142 HydrophobicContact CE1-CB 4.08Å; Y111-P178 HydrophobicContact CD2-CB 4.18Å; Y111-P178 HydrophobicContact CE1-CB 4.21Å; Y111-P178 HydrophobicContact CE2-CB 3.69Å; Y111-P178 HydrophobicContact CE2-CG 4.16Å; Y111-M181 HydrophobicContact CD2-CB 4.21Å; Y111-M181 HydrophobicContact CG-CB 4.38Å; Y111-M181 PolarHBondContact N-O 2.81Å
112	E	94.1	Very high	93.6	Very high	176 Å²	176	77.6 Å²	77.6	82%	0.822	42%	0.424	S	S	*	.			trans	-86.6	120.5	162.8	-60.4	-164.8	155.6	0	0	110.2	F110 H114	F110-E112 PolarHBondContact O-N 2.91Å; E112-H114 PolarHBondContact O-N 3.43Å
113	E	93.9	Very high	93.7	Very high	68 Å²	68	72.8 Å²	72.8	32%	0.318	40%	0.404	S	S	.	.			trans	-74.9	108.7	-178.8	-174.7	163.9	-98.7	0	0	111.1	Y111 I117 A118 K143	Y111-E113 HydrophobicContact CE1-CB 3.76Å; Y111-E113 HydrophobicContact CE1-CG 4.22Å; E113-I117 HydrophobicContact CG-CB 4.11Å; E113-I117 HydrophobicContact CG-CG2 3.82Å; E113-A118 HydrophobicContact CG-CB 4.18Å; E113-A118 WeakPolarHBondContact OE2-CA 3.31Å; E113-K143 WeakPolarHBondContact OE1-CB 3.46Å; E113-K143 WeakPolarHBondContact OE1-CD 3.48Å; E113-K143 WeakPolarHBondContact OE1-CG 3.38Å; E113-K143 WeakPolarHBondContact OE2-CE 3.43Å; E113-K143 IonicContact OE2-NZ 3.93Å
114	H	95.2	Very high	93.7	Very high	60 Å²	60	74.4 Å²	74.4	28%	0.278	41%	0.414	S	S	.	.			trans	-48.7	140.4	178.6	-174	-90.8	0	0	0	112.5	E112 D116 I117 A118 H150	E112-H114 PolarHBondContact O-N 3.43Å; H114-D116 IonicContact CE1-OD1 3.8Å; H114-D116 IonicContact CE1-OD2 2.69Å; H114-D116 PolarHBondContact ND1-N 2.87Å; H114-D116 IonicContact ND1-OD1 3.44Å; H114-D116 PolarHBondContact O-N 2.69Å; H114-I117 CarbonylContact O-C 3.57Å; H114-I117 WeakPolarHBondContact O-CA 3.3Å; H114-I117 WeakPolarHBondContact O-CB 3.25Å; H114-I117 PolarHBondContact O-N 3.36Å; H114-A118 PolarHBondContact O-N 3.2Å; H114-H150 HydrophobicContact CB-CB 4.02Å; H114-H150 AromaticContact CE1-CD2 3.7Å; H114-H150 AromaticContact ND1-CD2 3.61Å; H114-H150 AromaticContact ND1-CG 3.94Å
115	S	95.5	Very high	93.8	Very high	78 Å²	78	72 Å²	72	55%	0.545	40%	0.403	S	S	.	.	H	α-helix	trans	-44.4	-47.1	-173.7	50	0	0	0	0	114.1	I117 A118 A119	S115-I117 PolarHBondContact O-N 2.78Å; S115-A118 WeakPolarHBondContact O-CB 3.23Å; S115-A118 PolarHBondContact O-N 3.01Å; S115-A119 WeakPolarHBondContact O-CB 3.49Å; S115-A119 PolarHBondContact O-N 2.82Å
116	D	92.6	Very high	93.8	Very high	90 Å²	90	71.6 Å²	71.6	48%	0.481	39%	0.389	S	S	.	.	H	α-helix	trans	-71.8	-24.6	-173.3	-58.6	14.4	0	0	0	111.8	H114 L120	H114-D116 IonicContact CE1-OD1 3.8Å; H114-D116 IonicContact CE1-OD2 2.69Å; H114-D116 PolarHBondContact ND1-N 2.87Å; H114-D116 IonicContact ND1-OD1 3.44Å; H114-D116 PolarHBondContact O-N 2.69Å; D116-L120 WeakPolarHBondContact O-CG 3.15Å
117	I	94.2	Very high	93.6	Very high	2 Å²	2	75.9 Å²	75.9	1%	0.01	41%	0.407	C	S	.	.	H	α-helix	trans	-85.6	-42.1	173.9	-59.8	-55.9	0	0	0	109.6	E113 H114 S115 A119 L120 K143 V145 H150	E113-I117 HydrophobicContact CG-CB 4.11Å; E113-I117 HydrophobicContact CG-CG2 3.82Å; H114-I117 CarbonylContact O-C 3.57Å; H114-I117 WeakPolarHBondContact O-CA 3.3Å; H114-I117 WeakPolarHBondContact O-CB 3.25Å; H114-I117 PolarHBondContact O-N 3.36Å; S115-I117 PolarHBondContact O-N 2.78Å; I117-A119 PolarHBondContact O-N 2.86Å; I117-L120 HydrophobicContact CD1-CD1 3.87Å; I117-L120 WeakPolarHBondContact O-CB 3.48Å; I117-L120 PolarHBondContact O-N 2.93Å; I117-K143 HydrophobicContact CG2-CB 3.56Å; I117-K143 HydrophobicContact CG2-CD 3.98Å; I117-K143 HydrophobicContact CG2-CG 4.38Å; I117-K143 WeakPolarHBondContact O-CD 3.3Å; I117-K143 WeakPolarHBondContact O-CE 3.35Å; I117-K143 PolarHBondContact O-NZ 3.39Å; I117-V145 HydrophobicContact CG1-CG1 4.33Å; I117-H150 WeakPolarHBondContact CD1-ND1 3.37Å; I117-H150 HydrophobicContact CG1-CB 4.06Å
118	A	94.2	Very high	93.5	Very high	51 Å²	51	72.6 Å²	72.6	42%	0.421	39%	0.392	S	S	.	.	H	α-helix	trans	-56	-36	171.7	0	0	0	0	0	112.4	E113 H114 S115 L120 K143	E113-A118 HydrophobicContact CG-CB 4.18Å; E113-A118 WeakPolarHBondContact OE2-CA 3.31Å; H114-A118 PolarHBondContact O-N 3.2Å; S115-A118 WeakPolarHBondContact O-CB 3.23Å; S115-A118 PolarHBondContact O-N 3.01Å; A118-L120 PolarHBondContact O-N 3.1Å; A118-K143 VanDerWaalsContact C-NZ 3.3Å; A118-K143 PolarHBondContact O-NZ 3.38Å
119	A	94.7	Very high	93.6	Very high	79 Å²	79	71.7 Å²	71.7	65%	0.653	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.8	175.8	0	0	0	0	0	115	S115 I117 T121	S115-A119 WeakPolarHBondContact O-CB 3.49Å; S115-A119 PolarHBondContact O-N 2.82Å; I117-A119 PolarHBondContact O-N 2.86Å; A119-T121 PolarHBondContact O-N 3.45Å
120	L	92.8	Very high	93.5	Very high	42 Å²	42	73.6 Å²	73.6	22%	0.22	39%	0.393	C	S	.	.			trans	-63.9	128.2	-176.8	-63.7	177.2	0	0	0	112.1	D116 I117 A118 E124 V125 L128 K143	D116-L120 WeakPolarHBondContact O-CG 3.15Å; I117-L120 HydrophobicContact CD1-CD1 3.87Å; I117-L120 WeakPolarHBondContact O-CB 3.48Å; I117-L120 PolarHBondContact O-N 2.93Å; A118-L120 PolarHBondContact O-N 3.1Å; L120-E124 HydrophobicContact CB-CB 4.48Å; L120-E124 HydrophobicContact CD2-CB 4.27Å; L120-V125 HydrophobicContact CB-CG2 3.84Å; L120-V125 HydrophobicContact CD1-CG2 4.4Å; L120-L128 HydrophobicContact CD1-CD2 4.14Å; L120-K143 HydrophobicContact CB-CD 4.41Å; L120-K143 PolarHBondContact O-NZ 2.93Å
121	T	94.9	Very high	93.5	Very high	78 Å²	78	75.6 Å²	75.6	48%	0.479	41%	0.409	S	S	.	.			trans	-70.8	160.2	172.6	65.5	0	0	0	0	112.1	A119 D123 E124 V125	A119-T121 PolarHBondContact O-N 3.45Å; T121-D123 PolarHBondContact O-N 2.92Å; T121-E124 VanDerWaalsContact CB-OE2 3.28Å; T121-E124 WeakPolarHBondContact CB-OE2 3.46Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.32Å; T121-E124 PolarHBondContact N-OE2 2.79Å; T121-E124 PolarHBondContact O-N 3.15Å; T121-E124 VanDerWaalsContact OG1-CD 3.26Å; T121-E124 WeakPolarHBondContact OG1-CG 3.41Å; T121-E124 PolarHBondContact OG1-N 3.15Å; T121-E124 PolarHBondContact OG1-OE2 2.91Å; T121-V125 WeakPolarHBondContact O-CG2 3.43Å; T121-V125 PolarHBondContact O-N 3.13Å
122	S	92.6	Very high	93.3	Very high	107 Å²	107	76.3 Å²	76.3	75%	0.748	41%	0.413	S	S	*	.	H	α-helix	trans	-55.6	-34.2	177.9	-54.3	0	0	0	0	113.8	K126	S122-K126 VanDerWaalsContact O-CB 3.25Å; S122-K126 WeakPolarHBondContact O-CB 3.27Å; S122-K126 PolarHBondContact O-N 2.97Å
123	D	94	Very high	93.1	Very high	97 Å²	97	71.2 Å²	71.2	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-77.9	-29.4	176.7	-85.9	-37.7	0	0	0	112.8	T121 K126 K127	T121-D123 PolarHBondContact O-N 2.92Å; D123-K126 PolarHBondContact O-N 3.48Å; D123-K127 WeakPolarHBondContact O-CB 3.38Å; D123-K127 WeakPolarHBondContact O-CD 3.41Å; D123-K127 WeakPolarHBondContact O-CG 3.37Å; D123-K127 PolarHBondContact O-N 2.91Å
124	E	93.5	Very high	93.1	Very high	83 Å²	83	68.5 Å²	68.5	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-71.9	-43.6	171.9	-71.6	160.7	141.2	0	0	111.3	L120 T121 K126 K127 L128	L120-E124 HydrophobicContact CB-CB 4.48Å; L120-E124 HydrophobicContact CD2-CB 4.27Å; T121-E124 VanDerWaalsContact CB-OE2 3.28Å; T121-E124 WeakPolarHBondContact CB-OE2 3.46Å; T121-E124 WeakPolarHBondContact CG2-OE2 3.32Å; T121-E124 PolarHBondContact N-OE2 2.79Å; T121-E124 PolarHBondContact O-N 3.15Å; T121-E124 VanDerWaalsContact OG1-CD 3.26Å; T121-E124 WeakPolarHBondContact OG1-CG 3.41Å; T121-E124 PolarHBondContact OG1-N 3.15Å; T121-E124 PolarHBondContact OG1-OE2 2.91Å; E124-K126 PolarHBondContact O-N 2.85Å; E124-K127 PolarHBondContact O-N 2.9Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 2.84Å; E124-L128 PolarHBondContact O-N 2.77Å
125	V	94.4	Very high	93.1	Very high	11 Å²	11	69.6 Å²	69.6	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-56.7	-40.8	170.9	172.5	0	0	0	0	111	L120 T121 L128 R129 K143	L120-V125 HydrophobicContact CB-CG2 3.84Å; L120-V125 HydrophobicContact CD1-CG2 4.4Å; T121-V125 WeakPolarHBondContact O-CG2 3.43Å; T121-V125 PolarHBondContact O-N 3.13Å; V125-L128 PolarHBondContact O-N 2.88Å; V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 WeakPolarHBondContact O-CG 3.5Å; V125-R129 PolarHBondContact O-N 2.92Å; V125-K143 HydrophobicContact CG2-CB 4.2Å; V125-K143 HydrophobicContact CG2-CD 3.74Å; V125-K143 HydrophobicContact CG2-CG 3.83Å
126	K	93.4	Very high	93	Very high	120 Å²	120	67.3 Å²	67.3	52%	0.522	37%	0.365	S	S	.	.	H	α-helix	trans	-67.7	-43.8	176.7	-177.6	179.3	175.2	-173.4	0	112.6	S122 D123 E124 Q130	S122-K126 VanDerWaalsContact O-CB 3.25Å; S122-K126 WeakPolarHBondContact O-CB 3.27Å; S122-K126 PolarHBondContact O-N 2.97Å; D123-K126 PolarHBondContact O-N 3.48Å; E124-K126 PolarHBondContact O-N 2.85Å; K126-Q130 VanDerWaalsContact O-CG 3.31Å; K126-Q130 WeakPolarHBondContact O-CG 3.33Å; K126-Q130 PolarHBondContact O-N 3.16Å
127	K	92.7	Very high	93.1	Very high	125 Å²	125	68 Å²	68	54%	0.543	37%	0.369	S	S	.	.	H	α-helix	trans	-61.7	-43	172.9	-72.3	161.6	-170.9	167	0	111.2	D123 E124 Q130 T131	D123-K127 WeakPolarHBondContact O-CB 3.38Å; D123-K127 WeakPolarHBondContact O-CD 3.41Å; D123-K127 WeakPolarHBondContact O-CG 3.37Å; D123-K127 PolarHBondContact O-N 2.91Å; E124-K127 PolarHBondContact O-N 2.9Å; K127-Q130 CarbonylContact O-C 3.22Å; K127-Q130 WeakPolarHBondContact O-CA 3.35Å; K127-Q130 WeakPolarHBondContact O-CB 3.49Å; K127-Q130 PolarHBondContact O-N 3.05Å; K127-Q130 VanDerWaalsContact O-N 3.11Å; K127-T131 PolarHBondContact O-N 3.13Å; K127-T131 PolarHBondContact O-OG1 3.04Å; K127-T131 VanDerWaalsContact O-OG1 3.13Å
128	L	91.4	Very high	93	Very high	28 Å²	28	70 Å²	70	15%	0.147	39%	0.39	C	S	.	.	H	α-helix	trans	-65.1	-45.1	-179.5	-175.1	56.3	0	0	0	111.6	L120 E124 V125 Q130 T131 F132 P144 T146	L120-L128 HydrophobicContact CD1-CD2 4.14Å; E124-L128 VanDerWaalsContact O-CB 3.28Å; E124-L128 WeakPolarHBondContact O-CB 2.84Å; E124-L128 PolarHBondContact O-N 2.77Å; V125-L128 PolarHBondContact O-N 2.88Å; L128-Q130 VanDerWaalsContact C-N 3.26Å; L128-Q130 PolarHBondContact O-N 3.33Å; L128-T131 PolarHBondContact O-N 3.37Å; L128-F132 HydrophobicContact CD1-CD2 3.98Å; L128-F132 HydrophobicContact CD1-CE1 4.14Å; L128-F132 HydrophobicContact CD1-CE2 3.46Å; L128-F132 VanDerWaalsContact CD1-CE2 3.46Å; L128-F132 HydrophobicContact CD1-CZ 3.57Å; L128-F132 HydrophobicContact CD2-CE2 4.29Å; L128-F132 HydrophobicContact CG-CD2 4.05Å; L128-F132 HydrophobicContact CG-CE2 3.73Å; L128-F132 HydrophobicContact CG-CZ 4.34Å; L128-F132 WeakPolarHBondContact O-CG 3.41Å; L128-F132 PolarHBondContact O-N 2.8Å; L128-P144 HydrophobicContact CD2-CG 3.98Å; L128-P144 HydrophobicContact CG-CG 4.15Å; L128-T146 HydrophobicContact CD1-CG2 3.87Å; L128-T146 HydrophobicContact CD2-CG2 3.6Å; L128-T146 HydrophobicContact CG-CG2 4.38Å
129	R	94.8	Very high	92.8	Very high	47 Å²	47	69.5 Å²	69.5	18%	0.177	39%	0.385	C	S	.	.	H	α-helix	trans	-58.8	-35.5	170.5	-73.7	176.6	174.2	150.4	-0.4	112.1	V125 D133 I134 P141 P142 P144 Q175	V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 WeakPolarHBondContact O-CG 3.5Å; V125-R129 PolarHBondContact O-N 2.92Å; R129-D133 PolarHBondContact O-N 3.31Å; R129-I134 PolarHBondContact O-N 3.38Å; R129-P141 PolarHBondContact NH2-O 2.95Å; R129-P142 PolarHBondContact NH2-O 3.02Å; R129-P144 HydrophobicContact CG-CG 3.9Å; R129-Q175 VanDerWaalsContact CZ-OE1 3.25Å
130	Q	90.5	Very high	92.7	Very high	133 Å²	133	76.4 Å²	76.4	62%	0.621	40%	0.396	S	S	*	.	H	α-helix	trans	-69.9	-43.1	173.3	-73.3	172.1	-14	0	0	113.1	K126 K127 L128 F132 D133	K126-Q130 VanDerWaalsContact O-CG 3.31Å; K126-Q130 WeakPolarHBondContact O-CG 3.33Å; K126-Q130 PolarHBondContact O-N 3.16Å; K127-Q130 CarbonylContact O-C 3.22Å; K127-Q130 WeakPolarHBondContact O-CA 3.35Å; K127-Q130 WeakPolarHBondContact O-CB 3.49Å; K127-Q130 PolarHBondContact O-N 3.05Å; K127-Q130 VanDerWaalsContact O-N 3.11Å; L128-Q130 VanDerWaalsContact C-N 3.26Å; L128-Q130 PolarHBondContact O-N 3.33Å; Q130-F132 VanDerWaalsContact C-N 3.28Å; Q130-F132 PolarHBondContact O-N 2.67Å; Q130-D133 PolarHBondContact O-N 3.06Å; Q130-D133 VanDerWaalsContact O-N 3.08Å
131	T	89.9	Confident	92.7	Very high	84 Å²	84	76 Å²	76	52%	0.515	40%	0.396	S	S	.	.	H	α-helix	trans	-62.4	-34.8	177.4	-60.8	0	0	0	0	112.3	K127 L128 D133	K127-T131 PolarHBondContact O-N 3.13Å; K127-T131 PolarHBondContact O-OG1 3.04Å; K127-T131 VanDerWaalsContact O-OG1 3.13Å; L128-T131 PolarHBondContact O-N 3.37Å; T131-D133 VanDerWaalsContact C-N 3.34Å
132	F	89.8	Confident	92.7	Very high	43 Å²	43	73.2 Å²	73.2	19%	0.189	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.9	175.5	-65.8	-25.8	0	0	0	114.4	L128 Q130 I134 V145 T146 P171 A174	L128-F132 HydrophobicContact CD1-CD2 3.98Å; L128-F132 HydrophobicContact CD1-CE1 4.14Å; L128-F132 HydrophobicContact CD1-CE2 3.46Å; L128-F132 VanDerWaalsContact CD1-CE2 3.46Å; L128-F132 HydrophobicContact CD1-CZ 3.57Å; L128-F132 HydrophobicContact CD2-CE2 4.29Å; L128-F132 HydrophobicContact CG-CD2 4.05Å; L128-F132 HydrophobicContact CG-CE2 3.73Å; L128-F132 HydrophobicContact CG-CZ 4.34Å; L128-F132 WeakPolarHBondContact O-CG 3.41Å; L128-F132 PolarHBondContact O-N 2.8Å; Q130-F132 VanDerWaalsContact C-N 3.28Å; Q130-F132 PolarHBondContact O-N 2.67Å; F132-I134 HydrophobicContact CB-CD1 3.59Å; F132-I134 HydrophobicContact CB-CG1 3.65Å; F132-I134 HydrophobicContact CD2-CD1 4.06Å; F132-I134 HydrophobicContact CG-CD1 4.31Å; F132-I134 PolarHBondContact O-N 2.65Å; F132-V145 WeakPolarHBondContact CE2-O 3.2Å; F132-T146 HydrophobicContact CZ-CG2 4.4Å; F132-P171 HydrophobicContact CB-CB 4.02Å; F132-P171 HydrophobicContact CB-CG 4.18Å; F132-P171 HydrophobicContact CD1-CG 4.47Å; F132-P171 HydrophobicContact CG-CG 4.49Å; F132-A174 HydrophobicContact CD2-CB 4.41Å; F132-A174 HydrophobicContact CE2-CB 4.03Å
133	D	90.9	Very high	92.9	Very high	70 Å²	70	70 Å²	70	37%	0.374	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.5	53.1	-169.3	-166.6	12.9	0	0	0	114.1	R129 Q130 T131 K135 Q354 G355	R129-D133 PolarHBondContact O-N 3.31Å; Q130-D133 PolarHBondContact O-N 3.06Å; Q130-D133 VanDerWaalsContact O-N 3.08Å; T131-D133 VanDerWaalsContact C-N 3.34Å; D133-K135 IonicContact OD1-NZ 3.76Å; D133-K135 PolarHBondContact OD1-NZ 3.15Å; D133-K135 IonicContact OD2-NZ 3.6Å; D133-Q354 WeakPolarHBondContact O-CA 3.28Å; D133-G355 PolarHBondContact O-N 2.96Å; D133-G355 WeakPolarHBondContact OD2-CA 3.48Å
134	I	93.6	Very high	93	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.051	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.4	179.2	-51.8	176.3	0	0	0	110.3	R129 F132 V136 P171 Q175 V352 I353	R129-I134 PolarHBondContact O-N 3.38Å; F132-I134 HydrophobicContact CB-CD1 3.59Å; F132-I134 HydrophobicContact CB-CG1 3.65Å; F132-I134 HydrophobicContact CD2-CD1 4.06Å; F132-I134 HydrophobicContact CG-CD1 4.31Å; F132-I134 PolarHBondContact O-N 2.65Å; I134-V136 HydrophobicContact CG2-CG2 3.68Å; I134-P171 HydrophobicContact CD1-CB 4.02Å; I134-P171 WeakPolarHBondContact CD1-O 3.41Å; I134-P171 HydrophobicContact CG1-CB 4.17Å; I134-Q175 HydrophobicContact CD1-CB 3.73Å; I134-Q175 HydrophobicContact CG2-CB 4.28Å; I134-Q175 HydrophobicContact CG2-CG 4.14Å; I134-V352 HydrophobicContact CG2-CG1 3.65Å; I134-I353 CarbonylContact C-O 3.54Å; I134-I353 VanDerWaalsContact CA-O 3.31Å; I134-I353 WeakPolarHBondContact CA-O 3.33Å
135	K	94	Very high	93	Very high	83 Å²	83	61.5 Å²	61.5	36%	0.361	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.4	164.4	-60.3	106.2	179.6	157.8	0	108.9	D133 I353 G355	D133-K135 IonicContact OD1-NZ 3.76Å; D133-K135 PolarHBondContact OD1-NZ 3.15Å; D133-K135 IonicContact OD2-NZ 3.6Å; K135-I353 HydrophobicContact CB-CB 4.36Å; K135-I353 PolarHBondContact N-O 2.89Å; K135-I353 PolarHBondContact O-N 2.86Å; K135-G355 PolarHBondContact NZ-O 3.36Å
136	V	95.2	Very high	92.8	Very high	30 Å²	30	63.8 Å²	63.8	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	135.5	-179.6	-170.4	0	0	0	0	110	I134 P141 Q175 I350 K351	I134-V136 HydrophobicContact CG2-CG2 3.68Å; V136-P141 HydrophobicContact CG1-CB 3.63Å; V136-P141 HydrophobicContact CG1-CG 3.78Å; V136-Q175 HydrophobicContact CG2-CG 3.83Å; V136-I350 HydrophobicContact CG1-CG2 3.88Å; V136-K351 CarbonylContact C-O 3.26Å; V136-K351 WeakPolarHBondContact CA-O 3.48Å
137	L	94.3	Very high	92.8	Very high	106 Å²	106	60.2 Å²	60.2	56%	0.555	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135	132.5	179	-61	168.7	0	0	0	109.3	K351	L137-K351 HydrophobicContact CB-CB 4.32Å; L137-K351 HydrophobicContact CD1-CD 4.45Å; L137-K351 PolarHBondContact N-O 3.39Å; L137-K351 PolarHBondContact O-N 2.83Å
138	G	91.8	Very high	92.8	Very high	44 Å²	44	54.9 Å²	54.9	45%	0.454	29%	0.29	S	S	.	.	S	Bend	trans	145.5	169.5	-176.4	0	0	0	0	0	111.3
139	A	90.5	Very high	92.9	Very high	40 Å²	40	56.2 Å²	56.2	33%	0.331	31%	0.305	S	S	.	.	S	Bend	trans	-81.6	128.3	176.8	0	0	0	0	0	111	R184	A139-R184 PolarHBondContact O-NH1 3.04Å
140	Y	91.3	Very high	92.9	Very high	223 Å²	223	55 Å²	55	88%	0.875	30%	0.301	S	S	*	.	S	Bend	trans	46.4	54.1	175	-50.7	-80.2	0	0	0	115.5
141	P	93.8	Very high	93.1	Very high	33 Å²	33	48.8 Å²	48.8	21%	0.214	27%	0.272	C	S	.	.			trans	-71.2	129.1	-177.1	29.2	-34.7	0	0	0	112.1	R129 V136 I350	R129-P141 PolarHBondContact NH2-O 2.95Å; V136-P141 HydrophobicContact CG1-CB 3.63Å; V136-P141 HydrophobicContact CG1-CG 3.78Å; P141-I350 HydrophobicContact CB-CD1 4.11Å; P141-I350 HydrophobicContact CB-CG1 4.42Å; P141-I350 HydrophobicContact CB-CG2 3.94Å
142	P	95.3	Very high	93.2	Very high	20 Å²	20	47.7 Å²	47.7	13%	0.13	28%	0.278	C	S	.	.			trans	-45.9	149.4	174.7	-32.2	36.2	0	0	0	113.7	Y111 R129 Q175 P178	Y111-P142 HydrophobicContact CD1-CB 4.47Å; Y111-P142 HydrophobicContact CE1-CB 4.08Å; R129-P142 PolarHBondContact NH2-O 3.02Å; P142-Q175 PolarHBondContact O-NE2 2.98Å; P142-Q175 PolarHBondContact O-OE1 3.42Å; P142-P178 HydrophobicContact CB-CB 3.87Å
143	K	96.5	Very high	93.4	Very high	41 Å²	41	46.6 Å²	46.6	18%	0.178	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-68.3	148.7	179.4	-55.6	178.6	-164.1	-173.9	0	110	E113 I117 A118 L120 V125	E113-K143 WeakPolarHBondContact OE1-CB 3.46Å; E113-K143 WeakPolarHBondContact OE1-CD 3.48Å; E113-K143 WeakPolarHBondContact OE1-CG 3.38Å; E113-K143 WeakPolarHBondContact OE2-CE 3.43Å; E113-K143 IonicContact OE2-NZ 3.93Å; I117-K143 HydrophobicContact CG2-CB 3.56Å; I117-K143 HydrophobicContact CG2-CD 3.98Å; I117-K143 HydrophobicContact CG2-CG 4.38Å; I117-K143 WeakPolarHBondContact O-CD 3.3Å; I117-K143 WeakPolarHBondContact O-CE 3.35Å; I117-K143 PolarHBondContact O-NZ 3.39Å; A118-K143 VanDerWaalsContact C-NZ 3.3Å; A118-K143 PolarHBondContact O-NZ 3.38Å; L120-K143 HydrophobicContact CB-CD 4.41Å; L120-K143 PolarHBondContact O-NZ 2.93Å; V125-K143 HydrophobicContact CG2-CB 4.2Å; V125-K143 HydrophobicContact CG2-CD 3.74Å; V125-K143 HydrophobicContact CG2-CG 3.83Å
144	P	95.4	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-75.8	141.2	173.8	32.2	-32.6	0	0	0	110.4	L128 R129 A174 Q175	L128-P144 HydrophobicContact CD2-CG 3.98Å; L128-P144 HydrophobicContact CG-CG 4.15Å; R129-P144 HydrophobicContact CG-CG 3.9Å; P144-A174 CarbonylContact C-O 3.58Å; P144-A174 VanDerWaalsContact CA-O 3.24Å; P144-A174 WeakPolarHBondContact CA-O 3.23Å; P144-Q175 HydrophobicContact CB-CB 4.07Å
145	V	94.4	Very high	93.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-80.6	173.7	173.9	-55.2	0	0	0	0	112.4	I117 F132 H150 F151 P169 A174 P178	I117-V145 HydrophobicContact CG1-CG1 4.33Å; F132-V145 WeakPolarHBondContact CE2-O 3.2Å; V145-H150 HydrophobicContact CB-CB 3.82Å; V145-H150 HydrophobicContact CG1-CB 3.74Å; V145-F151 HydrophobicContact CB-CE1 4.24Å; V145-F151 HydrophobicContact CG1-CD1 4.01Å; V145-F151 HydrophobicContact CG1-CE1 4.03Å; V145-F151 HydrophobicContact CG2-CD1 3.85Å; V145-F151 HydrophobicContact CG2-CE1 3.18Å; V145-F151 HydrophobicContact CG2-CE2 4.38Å; V145-F151 HydrophobicContact CG2-CZ 3.51Å; V145-P169 HydrophobicContact CG2-CG 4.19Å; V145-A174 HydrophobicContact CG2-CB 4.28Å; V145-A174 PolarHBondContact N-O 3.14Å; V145-P178 HydrophobicContact CG1-CG 3.93Å
146	T	89.6	Confident	93.7	Very high	59 Å²	59	51.3 Å²	51.3	36%	0.362	30%	0.296	S	S	.	.	S	Bend	trans	-124	-10.7	175.2	53.5	0	0	0	0	114.1	L128 F132 H150	L128-T146 HydrophobicContact CD1-CG2 3.87Å; L128-T146 HydrophobicContact CD2-CG2 3.6Å; L128-T146 HydrophobicContact CG-CG2 4.38Å; F132-T146 HydrophobicContact CZ-CG2 4.4Å; T146-H150 PolarHBondContact OG1-CE1 3.43Å; T146-H150 PolarHBondContact OG1-ND1 3.37Å
147	S	92.8	Very high	93.7	Very high	45 Å²	45	49.9 Å²	49.9	32%	0.315	29%	0.287	S	S	.	.	S	Bend	trans	-145.8	152.2	-175.3	178.3	0	0	0	0	110	A149 H150	S147-A149 PolarHBondContact O-N 3.35Å; S147-A149 PolarHBondContact OG-N 3.1Å; S147-H150 PolarHBondContact O-N 3.04Å
148	F	94	Very high	93.8	Very high	13 Å²	13	46 Å²	46	6%	0.057	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.9	-32.5	174.3	-68.7	-63.7	0	0	0	112.7	H150 F151 M158 I161 F166 Q168 P169 W202	F148-H150 PolarHBondContact O-N 3.19Å; F148-F151 HydrophobicContact CD1-CD2 4.12Å; F148-F151 AromaticContact CD1-CE2 3.74Å; F148-F151 HydrophobicContact CD1-CE2 3.74Å; F148-F151 HydrophobicContact CE1-CE2 4.3Å; F148-F151 WeakPolarHBondContact O-CB 3.45Å; F148-F151 WeakPolarHBondContact O-CD2 3.35Å; F148-F151 PolarHBondContact O-N 2.93Å; F148-M158 HydrophobicContact CB-CE 3.82Å; F148-M158 HydrophobicContact CB-SD 3.98Å; F148-I161 HydrophobicContact CD1-CG2 4.14Å; F148-I161 HydrophobicContact CD2-CG2 4.15Å; F148-I161 HydrophobicContact CE1-CG2 4.23Å; F148-I161 HydrophobicContact CE2-CG2 4.19Å; F148-I161 HydrophobicContact CG-CG2 4.14Å; F148-I161 HydrophobicContact CZ-CG2 4.24Å; F148-F166 HydrophobicContact CE2-CB 3.76Å; F148-F166 HydrophobicContact CZ-CB 3.72Å; F148-Q168 WeakPolarHBondContact CZ-O 3.14Å; F148-P169 HydrophobicContact CD1-CB 4.2Å; F148-P169 HydrophobicContact CE1-CB 3.81Å; F148-P169 HydrophobicContact CZ-CB 4.26Å; F148-W202 HydrophobicContact CD1-CH2 4.3Å; F148-W202 HydrophobicContact CD1-CZ3 4.24Å; F148-W202 AromaticContact CE1-CH2 3.56Å; F148-W202 HydrophobicContact CE1-CH2 3.56Å; F148-W202 AromaticContact CE1-CZ3 3.75Å; F148-W202 HydrophobicContact CE1-CZ3 3.75Å; F148-W202 HydrophobicContact CZ-CH2 4.33Å
149	A	93.1	Very high	93.9	Very high	56 Å²	56	47.2 Å²	47.2	46%	0.463	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-61.5	-26.6	178.1	0	0	0	0	0	113.1	S147 F151 G152	S147-A149 PolarHBondContact O-N 3.35Å; S147-A149 PolarHBondContact OG-N 3.1Å; A149-F151 PolarHBondContact O-N 2.83Å; A149-G152 PolarHBondContact O-N 3.43Å
150	H	94.3	Very high	94.1	Very high	22 Å²	22	46.4 Å²	46.4	10%	0.102	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-80	-1.2	-177.8	-55.5	178.1	0	0	0	113.1	H114 I117 V145 T146 S147 F148	H114-H150 HydrophobicContact CB-CB 4.02Å; H114-H150 AromaticContact CE1-CD2 3.7Å; H114-H150 AromaticContact ND1-CD2 3.61Å; H114-H150 AromaticContact ND1-CG 3.94Å; I117-H150 WeakPolarHBondContact CD1-ND1 3.37Å; I117-H150 HydrophobicContact CG1-CB 4.06Å; V145-H150 HydrophobicContact CB-CB 3.82Å; V145-H150 HydrophobicContact CG1-CB 3.74Å; T146-H150 PolarHBondContact OG1-CE1 3.43Å; T146-H150 PolarHBondContact OG1-ND1 3.37Å; S147-H150 PolarHBondContact O-N 3.04Å; F148-H150 PolarHBondContact O-N 3.19Å
151	F	94.1	Very high	94.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.009	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-82.7	-11.1	172.4	-65	-45.2	0	0	0	113.5	V145 F148 A149 F153 P169 V177 P178 M181 W202	V145-F151 HydrophobicContact CB-CE1 4.24Å; V145-F151 HydrophobicContact CG1-CD1 4.01Å; V145-F151 HydrophobicContact CG1-CE1 4.03Å; V145-F151 HydrophobicContact CG2-CD1 3.85Å; V145-F151 HydrophobicContact CG2-CE1 3.18Å; V145-F151 HydrophobicContact CG2-CE2 4.38Å; V145-F151 HydrophobicContact CG2-CZ 3.51Å; F148-F151 HydrophobicContact CD1-CD2 4.12Å; F148-F151 AromaticContact CD1-CE2 3.74Å; F148-F151 HydrophobicContact CD1-CE2 3.74Å; F148-F151 HydrophobicContact CE1-CE2 4.3Å; F148-F151 WeakPolarHBondContact O-CB 3.45Å; F148-F151 WeakPolarHBondContact O-CD2 3.35Å; F148-F151 PolarHBondContact O-N 2.93Å; A149-F151 PolarHBondContact O-N 2.83Å; F151-F153 HydrophobicContact CB-CD1 3.88Å; F151-F153 HydrophobicContact CB-CD2 3.81Å; F151-F153 HydrophobicContact CB-CE1 3.84Å; F151-F153 HydrophobicContact CB-CE2 3.77Å; F151-F153 HydrophobicContact CB-CG 3.87Å; F151-F153 HydrophobicContact CB-CZ 3.77Å; F151-F153 AromaticContact CD2-CD2 3.93Å; F151-F153 HydrophobicContact CD2-CD2 3.93Å; F151-F153 AromaticContact CD2-CE2 3.41Å; F151-F153 HydrophobicContact CD2-CE2 3.41Å; F151-F153 VanDerWaalsContact CD2-CE2 3.41Å; F151-F153 AromaticContact CD2-CZ 3.91Å; F151-F153 HydrophobicContact CD2-CZ 3.91Å; F151-F153 HydrophobicContact CE2-CE2 4.23Å; F151-F153 HydrophobicContact CG-CD2 4.31Å; F151-F153 HydrophobicContact CG-CE1 4.48Å; F151-F153 AromaticContact CG-CE2 3.87Å; F151-F153 HydrophobicContact CG-CE2 3.87Å; F151-F153 AromaticContact CG-CZ 3.96Å; F151-F153 HydrophobicContact CG-CZ 3.96Å; F151-F153 PolarHBondContact O-N 3.18Å; F151-P169 HydrophobicContact CE2-CB 4.05Å; F151-P169 HydrophobicContact CZ-CB 3.95Å; F151-P169 HydrophobicContact CZ-CG 4.47Å; F151-V177 HydrophobicContact CD1-CB 3.97Å; F151-V177 HydrophobicContact CD1-CG1 3.42Å; F151-V177 VanDerWaalsContact CD1-CG1 3.42Å; F151-V177 HydrophobicContact CD2-CG1 4.38Å; F151-V177 HydrophobicContact CE1-CB 3.48Å; F151-V177 VanDerWaalsContact CE1-CB 3.48Å; F151-V177 HydrophobicContact CE1-CG1 3.5Å; F151-V177 HydrophobicContact CE1-CG2 4.25Å; F151-V177 HydrophobicContact CE2-CG1 4.44Å; F151-V177 HydrophobicContact CG-CG1 3.9Å; F151-V177 HydrophobicContact CZ-CB 3.84Å; F151-V177 HydrophobicContact CZ-CG1 4.03Å; F151-V177 HydrophobicContact CZ-CG2 4.1Å; F151-P178 HydrophobicContact CD1-CG 4.46Å; F151-P178 HydrophobicContact CE1-CG 4.2Å; F151-M181 WeakPolarHBondContact O-CE 3.43Å; F151-W202 HydrophobicContact CE2-CZ3 4.31Å
152	G	92.3	Very high	94.1	Very high	62 Å²	62	39.6 Å²	39.6	64%	0.639	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.2	14.3	-175.5	0	0	0	0	0	114.5	A149	A149-G152 PolarHBondContact O-N 3.43Å
153	F	94.9	Very high	94	Very high	19 Å²	19	46.8 Å²	46.8	8%	0.083	25%	0.251	C	S	.	.			trans	-64.2	143.5	178.1	-64.2	-24.5	0	0	0	112.4	F151 L157 M158 I161 V177 M181 W202 Y206	F151-F153 HydrophobicContact CB-CD1 3.88Å; F151-F153 HydrophobicContact CB-CD2 3.81Å; F151-F153 HydrophobicContact CB-CE1 3.84Å; F151-F153 HydrophobicContact CB-CE2 3.77Å; F151-F153 HydrophobicContact CB-CG 3.87Å; F151-F153 HydrophobicContact CB-CZ 3.77Å; F151-F153 AromaticContact CD2-CD2 3.93Å; F151-F153 HydrophobicContact CD2-CD2 3.93Å; F151-F153 AromaticContact CD2-CE2 3.41Å; F151-F153 HydrophobicContact CD2-CE2 3.41Å; F151-F153 VanDerWaalsContact CD2-CE2 3.41Å; F151-F153 AromaticContact CD2-CZ 3.91Å; F151-F153 HydrophobicContact CD2-CZ 3.91Å; F151-F153 HydrophobicContact CE2-CE2 4.23Å; F151-F153 HydrophobicContact CG-CD2 4.31Å; F151-F153 HydrophobicContact CG-CE1 4.48Å; F151-F153 AromaticContact CG-CE2 3.87Å; F151-F153 HydrophobicContact CG-CE2 3.87Å; F151-F153 AromaticContact CG-CZ 3.96Å; F151-F153 HydrophobicContact CG-CZ 3.96Å; F151-F153 PolarHBondContact O-N 3.18Å; F153-L157 HydrophobicContact CB-CD2 4.16Å; F153-L157 HydrophobicContact CD1-CD2 3.9Å; F153-L157 HydrophobicContact CD2-CD2 3.69Å; F153-L157 HydrophobicContact CD2-CG 4.24Å; F153-L157 HydrophobicContact CE1-CD2 4.14Å; F153-L157 HydrophobicContact CE2-CD2 3.94Å; F153-L157 HydrophobicContact CG-CD2 3.67Å; F153-L157 HydrophobicContact CG-CG 4.4Å; F153-L157 HydrophobicContact CZ-CD2 4.17Å; F153-M158 HydrophobicContact CB-CG 3.79Å; F153-M158 HydrophobicContact CB-SD 4.09Å; F153-M158 HydrophobicContact CD2-SD 4.25Å; F153-I161 HydrophobicContact CD2-CD1 3.8Å; F153-I161 HydrophobicContact CE2-CD1 3.96Å; F153-V177 HydrophobicContact CE1-CG1 4.32Å; F153-V177 HydrophobicContact CZ-CG1 3.8Å; F153-M181 HydrophobicContact CD1-CE 4.42Å; F153-M181 HydrophobicContact CD1-SD 4.46Å; F153-M181 HydrophobicContact CE1-CE 4.13Å; F153-M181 HydrophobicContact CE1-SD 3.67Å; F153-M181 HydrophobicContact CZ-SD 4.4Å; F153-W202 HydrophobicContact CE1-CB 4.26Å; F153-W202 HydrophobicContact CE2-CB 3.95Å; F153-W202 HydrophobicContact CE2-CD2 4.04Å; F153-W202 AromaticContact CE2-CE3 3.8Å; F153-W202 HydrophobicContact CE2-CE3 3.8Å; F153-W202 HydrophobicContact CE2-CG 4.16Å; F153-W202 HydrophobicContact CZ-CB 3.51Å; F153-W202 HydrophobicContact CZ-CD2 4.39Å; F153-W202 HydrophobicContact CZ-CE3 4.16Å; F153-W202 HydrophobicContact CZ-CG 4.21Å; F153-Y206 HydrophobicContact CD1-CD2 4.25Å; F153-Y206 AromaticContact CD1-CE2 3.52Å; F153-Y206 HydrophobicContact CD1-CE2 3.52Å; F153-Y206 HydrophobicContact CE1-CD2 4.31Å; F153-Y206 AromaticContact CE1-CE2 3.99Å; F153-Y206 HydrophobicContact CE1-CE2 3.99Å; F153-Y206 HydrophobicContact CG-CE2 4.38Å
154	D	94.7	Very high	93.6	Very high	51 Å²	51	45.9 Å²	45.9	27%	0.273	25%	0.25	S	S	.	.			trans	-71.5	169.4	176.6	70.5	58.4	0	0	0	113.1	Q156 L157 M158 Y206 Y246	D154-Q156 VanDerWaalsContact C-N 3.31Å; D154-Q156 PolarHBondContact O-N 3.38Å; D154-Q156 VanDerWaalsContact OD1-CA 3.3Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.3Å; D154-Q156 VanDerWaalsContact OD1-CB 3.24Å; D154-Q156 WeakPolarHBondContact OD1-CB 2.99Å; D154-Q156 PolarHBondContact OD1-N 2.84Å; D154-L157 PolarHBondContact OD1-N 2.75Å; D154-M158 VanDerWaalsContact O-CB 3.25Å; D154-M158 WeakPolarHBondContact O-CB 3.43Å; D154-M158 VanDerWaalsContact O-CG 3.23Å; D154-M158 WeakPolarHBondContact O-CG 3.26Å; D154-M158 PolarHBondContact O-N 2.82Å; D154-Y206 VanDerWaalsContact CG-OH 3.24Å; D154-Y206 PolarHBondContact N-OH 3.34Å; D154-Y206 PolarHBondContact OD2-OH 3.22Å; D154-Y246 PolarHBondContact OD1-OH 3.09Å; D154-Y246 PolarHBondContact OD2-OH 3.41Å
155	E	95	Very high	93.4	Very high	116 Å²	116	54.2 Å²	54.2	54%	0.542	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-27.8	-179.7	-85.3	-63	120.7	0	0	114.1	N159 R162	E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 2.89Å; E155-N159 PolarHBondContact O-ND2 2.88Å; E155-N159 PolarHBondContact OE2-ND2 3.48Å; E155-R162 IonicContact OE1-NH2 3.49Å; E155-R162 PolarHBondContact OE1-NH2 3.19Å; E155-R162 IonicContact OE2-CZ 3.92Å; E155-R162 IonicContact OE2-NH1 3.9Å; E155-R162 IonicContact OE2-NH2 2.76Å; E155-R162 PolarHBondContact OE2-NH2 3.29Å
156	Q	94.7	Very high	93.1	Very high	96 Å²	96	58.2 Å²	58.2	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-67.1	-52.1	177.6	-56.9	-167	4.3	0	0	111	D154 N159 V160 P245 Y246	D154-Q156 VanDerWaalsContact C-N 3.31Å; D154-Q156 PolarHBondContact O-N 3.38Å; D154-Q156 VanDerWaalsContact OD1-CA 3.3Å; D154-Q156 WeakPolarHBondContact OD1-CA 3.3Å; D154-Q156 VanDerWaalsContact OD1-CB 3.24Å; D154-Q156 WeakPolarHBondContact OD1-CB 2.99Å; D154-Q156 PolarHBondContact OD1-N 2.84Å; Q156-N159 PolarHBondContact O-N 3.49Å; Q156-V160 PolarHBondContact O-N 2.83Å; Q156-P245 HydrophobicContact CB-CB 4.05Å; Q156-P245 PolarHBondContact OE1-O 3.27Å; Q156-Y246 HydrophobicContact CB-CE1 4.16Å
157	L	95.2	Very high	92.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66	-42.8	176.3	176.2	58.6	0	0	0	111.4	F153 D154 N159 V160 I161 W202 L205 Y206 Y242 Y246	F153-L157 HydrophobicContact CB-CD2 4.16Å; F153-L157 HydrophobicContact CD1-CD2 3.9Å; F153-L157 HydrophobicContact CD2-CD2 3.69Å; F153-L157 HydrophobicContact CD2-CG 4.24Å; F153-L157 HydrophobicContact CE1-CD2 4.14Å; F153-L157 HydrophobicContact CE2-CD2 3.94Å; F153-L157 HydrophobicContact CG-CD2 3.67Å; F153-L157 HydrophobicContact CG-CG 4.4Å; F153-L157 HydrophobicContact CZ-CD2 4.17Å; D154-L157 PolarHBondContact OD1-N 2.75Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3Å; L157-V160 PolarHBondContact O-N 3.18Å; L157-I161 HydrophobicContact CD1-CD1 4.06Å; L157-I161 HydrophobicContact CD1-CG1 4.09Å; L157-I161 HydrophobicContact CD2-CD1 4.43Å; L157-I161 HydrophobicContact CG-CD1 3.85Å; L157-I161 HydrophobicContact CG-CG1 4.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.08Å; L157-I161 PolarHBondContact O-N 3.23Å; L157-W202 HydrophobicContact CD1-CG 4.37Å; L157-W202 HydrophobicContact CD2-CB 4.03Å; L157-W202 HydrophobicContact CD2-CG 4.19Å; L157-L205 HydrophobicContact CD1-CD1 4.06Å; L157-L205 HydrophobicContact CD2-CD1 4.35Å; L157-Y206 HydrophobicContact CD2-CE2 4.01Å; L157-Y242 HydrophobicContact CD1-CD1 3.8Å; L157-Y242 HydrophobicContact CD1-CG 4.37Å; L157-Y246 HydrophobicContact CB-CE2 4.37Å; L157-Y246 VanDerWaalsContact CB-OH 3.24Å; L157-Y246 WeakPolarHBondContact CB-OH 3.48Å; L157-Y246 PolarHBondContact N-OH 3.03Å
158	M	95.2	Very high	92.8	Very high	24 Å²	24	66.2 Å²	66.2	12%	0.118	34%	0.344	C	S	.	.	H	α-helix	trans	-62.6	-32.6	177.6	-72.4	-68.1	-75.3	0	0	112.4	F148 F153 D154 I161 R162	F148-M158 HydrophobicContact CB-CE 3.82Å; F148-M158 HydrophobicContact CB-SD 3.98Å; F153-M158 HydrophobicContact CB-CG 3.79Å; F153-M158 HydrophobicContact CB-SD 4.09Å; F153-M158 HydrophobicContact CD2-SD 4.25Å; D154-M158 VanDerWaalsContact O-CB 3.25Å; D154-M158 WeakPolarHBondContact O-CB 3.43Å; D154-M158 VanDerWaalsContact O-CG 3.23Å; D154-M158 WeakPolarHBondContact O-CG 3.26Å; D154-M158 PolarHBondContact O-N 2.82Å; M158-I161 HydrophobicContact SD-CD1 4.34Å; M158-R162 VanDerWaalsContact O-CB 3.3Å; M158-R162 WeakPolarHBondContact O-CB 3.34Å; M158-R162 VanDerWaalsContact O-CG 3.29Å; M158-R162 WeakPolarHBondContact O-CG 3.2Å; M158-R162 PolarHBondContact O-N 3.38Å; M158-R162 PolarHBondContact O-NE 3.5Å
159	N	94.6	Very high	92.8	Very high	70 Å²	70	66.1 Å²	66.1	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-64.3	-41.2	170.2	-84.3	-56.3	0	0	0	112.2	E155 Q156 L157 R162 K163	E155-N159 WeakPolarHBondContact O-CB 3.46Å; E155-N159 PolarHBondContact O-N 2.89Å; E155-N159 PolarHBondContact O-ND2 2.88Å; E155-N159 PolarHBondContact OE2-ND2 3.48Å; Q156-N159 PolarHBondContact O-N 3.49Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3Å; N159-R162 PolarHBondContact O-N 3.3Å; N159-R162 PolarHBondContact OD1-NH1 3.49Å; N159-K163 WeakPolarHBondContact O-CB 3.45Å; N159-K163 WeakPolarHBondContact O-CG 3.46Å; N159-K163 PolarHBondContact O-N 2.87Å
160	V	94.5	Very high	92.8	Very high	23 Å²	23	65.4 Å²	65.4	14%	0.139	34%	0.335	C	S	.	.	H	α-helix	trans	-71.1	-35.9	177.2	-176.7	0	0	0	0	112.2	Q156 L157 K163 S164 K241 Y242 P245	Q156-V160 PolarHBondContact O-N 2.83Å; L157-V160 PolarHBondContact O-N 3.18Å; V160-K163 PolarHBondContact O-N 2.89Å; V160-S164 PolarHBondContact O-N 3.26Å; V160-S164 PolarHBondContact O-OG 2.94Å; V160-K241 HydrophobicContact CG1-CG 4.02Å; V160-Y242 HydrophobicContact CB-CD1 4.14Å; V160-Y242 HydrophobicContact CG1-CD1 3.48Å; V160-Y242 VanDerWaalsContact CG1-CD1 3.48Å; V160-Y242 HydrophobicContact CG1-CE1 3.75Å; V160-Y242 HydrophobicContact CG1-CG 4.46Å; V160-P245 HydrophobicContact CG2-CG 3.71Å
161	I	93.9	Very high	92.8	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-45.9	172.4	-67.4	173.9	0	0	0	110.2	F148 F153 L157 M158 S164 F166 W202 Y242	F148-I161 HydrophobicContact CD1-CG2 4.14Å; F148-I161 HydrophobicContact CD2-CG2 4.15Å; F148-I161 HydrophobicContact CE1-CG2 4.23Å; F148-I161 HydrophobicContact CE2-CG2 4.19Å; F148-I161 HydrophobicContact CG-CG2 4.14Å; F148-I161 HydrophobicContact CZ-CG2 4.24Å; F153-I161 HydrophobicContact CD2-CD1 3.8Å; F153-I161 HydrophobicContact CE2-CD1 3.96Å; L157-I161 HydrophobicContact CD1-CD1 4.06Å; L157-I161 HydrophobicContact CD1-CG1 4.09Å; L157-I161 HydrophobicContact CD2-CD1 4.43Å; L157-I161 HydrophobicContact CG-CD1 3.85Å; L157-I161 HydrophobicContact CG-CG1 4.32Å; L157-I161 WeakPolarHBondContact O-CG1 3.08Å; L157-I161 PolarHBondContact O-N 3.23Å; M158-I161 HydrophobicContact SD-CD1 4.34Å; I161-S164 WeakPolarHBondContact O-CA 3.42Å; I161-S164 WeakPolarHBondContact O-CB 3.35Å; I161-S164 PolarHBondContact O-N 2.82Å; I161-F166 HydrophobicContact CG2-CB 4.3Å; I161-F166 HydrophobicContact CG2-CD2 4.34Å; I161-W202 HydrophobicContact CD1-CD2 4.03Å; I161-W202 HydrophobicContact CD1-CE3 4.4Å; I161-W202 HydrophobicContact CD1-CH2 4.21Å; I161-W202 HydrophobicContact CD1-CZ2 3.79Å; I161-W202 HydrophobicContact CD1-CZ3 4.5Å; I161-W202 HydrophobicContact CG1-CH2 4.46Å; I161-W202 HydrophobicContact CG1-CZ2 3.72Å; I161-Y242 HydrophobicContact CG1-CE1 4.48Å
162	R	92.7	Very high	92.8	Very high	110 Å²	110	65.7 Å²	65.7	42%	0.415	34%	0.339	S	S	.	.	H	α-helix	trans	-63.8	-41.4	175.5	-76.4	-178.3	-99.1	117.5	-7.7	112.6	E155 M158 N159 S164 Q165	E155-R162 IonicContact OE1-NH2 3.49Å; E155-R162 PolarHBondContact OE1-NH2 3.19Å; E155-R162 IonicContact OE2-CZ 3.92Å; E155-R162 IonicContact OE2-NH1 3.9Å; E155-R162 IonicContact OE2-NH2 2.76Å; E155-R162 PolarHBondContact OE2-NH2 3.29Å; M158-R162 VanDerWaalsContact O-CB 3.3Å; M158-R162 WeakPolarHBondContact O-CB 3.34Å; M158-R162 VanDerWaalsContact O-CG 3.29Å; M158-R162 WeakPolarHBondContact O-CG 3.2Å; M158-R162 PolarHBondContact O-N 3.38Å; M158-R162 PolarHBondContact O-NE 3.5Å; N159-R162 PolarHBondContact O-N 3.3Å; N159-R162 PolarHBondContact OD1-NH1 3.49Å; R162-S164 PolarHBondContact O-N 3.14Å; R162-Q165 PolarHBondContact O-N 2.87Å
163	K	93.1	Very high	93	Very high	171 Å²	171	63 Å²	63	74%	0.743	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-24.7	171.2	-76.5	-173.2	177.1	-166.9	0	113	N159 V160 Q165	N159-K163 WeakPolarHBondContact O-CB 3.45Å; N159-K163 WeakPolarHBondContact O-CG 3.46Å; N159-K163 PolarHBondContact O-N 2.87Å; V160-K163 PolarHBondContact O-N 2.89Å; K163-Q165 PolarHBondContact O-N 3.29Å
164	S	88.2	Confident	93.1	Very high	23 Å²	23	62.1 Å²	62.1	16%	0.161	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.5	173.1	-54.1	0	0	0	0	113.9	V160 I161 R162 F166 K241	V160-S164 PolarHBondContact O-N 3.26Å; V160-S164 PolarHBondContact O-OG 2.94Å; I161-S164 WeakPolarHBondContact O-CA 3.42Å; I161-S164 WeakPolarHBondContact O-CB 3.35Å; I161-S164 PolarHBondContact O-N 2.82Å; R162-S164 PolarHBondContact O-N 3.14Å; S164-F166 WeakPolarHBondContact O-CD1 3.37Å; S164-F166 WeakPolarHBondContact O-CE1 3.23Å; S164-F166 PolarHBondContact O-N 3.34Å; S164-F166 VanDerWaalsContact O-N 3.15Å; S164-K241 WeakPolarHBondContact OG-CE 3.29Å; S164-K241 PolarHBondContact OG-NZ 3.01Å; S164-K241 VanDerWaalsContact OG-NZ 3.09Å
165	Q	89.5	Confident	93.2	Very high	175 Å²	175	59.7 Å²	59.7	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	20.5	179.3	-55.7	-176.3	-3.1	0	0	115	R162 K163 T167	R162-Q165 PolarHBondContact O-N 2.87Å; K163-Q165 PolarHBondContact O-N 3.29Å; Q165-T167 PolarHBondContact O-N 3.39Å
166	F	89.1	Confident	93.4	Very high	84 Å²	84	54.2 Å²	54.2	37%	0.368	27%	0.267	S	S	.	.			trans	-75.2	124.6	176.7	-58.1	-22.7	0	0	0	110.6	F148 I161 S164 W202	F148-F166 HydrophobicContact CE2-CB 3.76Å; F148-F166 HydrophobicContact CZ-CB 3.72Å; I161-F166 HydrophobicContact CG2-CB 4.3Å; I161-F166 HydrophobicContact CG2-CD2 4.34Å; S164-F166 WeakPolarHBondContact O-CD1 3.37Å; S164-F166 WeakPolarHBondContact O-CE1 3.23Å; S164-F166 PolarHBondContact O-N 3.34Å; S164-F166 VanDerWaalsContact O-N 3.15Å; F166-W202 HydrophobicContact CD2-CH2 4.32Å; F166-W202 HydrophobicContact CD2-CZ2 4.14Å; F166-W202 HydrophobicContact CE2-CZ2 4.17Å
167	T	86	Confident	93.5	Very high	131 Å²	131	49.6 Å²	49.6	80%	0.804	25%	0.246	S	C	*	.			trans	-94	-35.6	-175	52.8	0	0	0	0	113.9	Q165	Q165-T167 PolarHBondContact O-N 3.39Å
168	Q	90.1	Very high	93.6	Very high	140 Å²	140	49.6 Å²	49.6	65%	0.654	25%	0.246	S	C	*	.	S	Bend	trans	-145.4	151.7	177	-65.9	-177	7	0	0	110.3	F148	F148-Q168 WeakPolarHBondContact CZ-O 3.14Å
169	P	93.4	Very high	93.7	Very high	11 Å²	11	48.5 Å²	48.5	7%	0.071	24%	0.24	C	C	.	.			trans	-65.6	141.2	174.1	27.1	-34.1	0	0	0	111.1	V145 F148 F151 Q173 A174	V145-P169 HydrophobicContact CG2-CG 4.19Å; F148-P169 HydrophobicContact CD1-CB 4.2Å; F148-P169 HydrophobicContact CE1-CB 3.81Å; F148-P169 HydrophobicContact CZ-CB 4.26Å; F151-P169 HydrophobicContact CE2-CB 4.05Å; F151-P169 HydrophobicContact CZ-CB 3.95Å; F151-P169 HydrophobicContact CZ-CG 4.47Å; P169-Q173 HydrophobicContact CB-CB 4.15Å; P169-A174 HydrophobicContact CB-CB 4.42Å; P169-A174 HydrophobicContact CG-CB 4.43Å
170	T	93.4	Very high	93.9	Very high	41 Å²	41	45.2 Å²	45.2	25%	0.252	22%	0.222	S	C	.	.			trans	-68.9	158	172.9	71.7	0	0	0	0	110.8	I172 Q173 A174 S194	T170-I172 VanDerWaalsContact C-N 3.29Å; T170-I172 PolarHBondContact O-N 2.8Å; T170-I172 VanDerWaalsContact O-N 3.16Å; T170-Q173 CarbonylContact O-C 3.58Å; T170-Q173 WeakPolarHBondContact O-CA 3.3Å; T170-Q173 WeakPolarHBondContact O-CB 3.37Å; T170-Q173 PolarHBondContact O-N 2.9Å; T170-Q173 VanDerWaalsContact OG1-CD 3.28Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.39Å; T170-Q173 PolarHBondContact OG1-N 3.1Å; T170-Q173 PolarHBondContact OG1-OE1 3.17Å; T170-A174 WeakPolarHBondContact O-CB 3.43Å; T170-A174 PolarHBondContact O-N 3.14Å; T170-S194 VanDerWaalsContact CB-O 3.23Å; T170-S194 WeakPolarHBondContact CB-O 3.21Å; T170-S194 WeakPolarHBondContact CG2-O 3.47Å; T170-S194 PolarHBondContact OG1-O 2.9Å
171	P	93.7	Very high	94	Very high	30 Å²	30	44.4 Å²	44.4	20%	0.195	22%	0.217	C	C	.	.	H	α-helix	trans	-48.6	-43.4	177.9	-36.5	41	0	0	0	115.5	F132 I134 A174 Q175 Q354	F132-P171 HydrophobicContact CB-CB 4.02Å; F132-P171 HydrophobicContact CB-CG 4.18Å; F132-P171 HydrophobicContact CD1-CG 4.47Å; F132-P171 HydrophobicContact CG-CG 4.49Å; I134-P171 HydrophobicContact CD1-CB 4.02Å; I134-P171 WeakPolarHBondContact CD1-O 3.41Å; I134-P171 HydrophobicContact CG1-CB 4.17Å; P171-A174 PolarHBondContact O-N 2.88Å; P171-Q175 PolarHBondContact O-N 3.23Å; P171-Q354 HydrophobicContact CB-CG 4.07Å
172	I	95	Very high	94.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.8	-27.5	179.2	-166.6	59.6	0	0	0	112.7	T170 G176 A190 S194 K196 F330 V352	T170-I172 VanDerWaalsContact C-N 3.29Å; T170-I172 PolarHBondContact O-N 2.8Å; T170-I172 VanDerWaalsContact O-N 3.16Å; I172-G176 WeakPolarHBondContact O-CA 3.38Å; I172-G176 PolarHBondContact O-N 3.1Å; I172-A190 HydrophobicContact CB-CB 3.9Å; I172-A190 HydrophobicContact CD1-CB 4.15Å; I172-A190 HydrophobicContact CG1-CB 3.83Å; I172-A190 HydrophobicContact CG2-CB 4.25Å; I172-S194 WeakPolarHBondContact CG2-O 3.38Å; I172-K196 HydrophobicContact CG1-CG 4.19Å; I172-K196 HydrophobicContact CG2-CG 4.11Å; I172-F330 HydrophobicContact CG1-CE1 4.48Å; I172-V352 HydrophobicContact CD1-CB 4.27Å; I172-V352 HydrophobicContact CD1-CG1 3.79Å
173	Q	96.9	Very high	94.2	Very high	7 Å²	7	40.4 Å²	40.4	3%	0.033	21%	0.207	C	C	.	.	H	α-helix	trans	-72.5	-47.5	169.1	-67.4	162.5	-3.6	0	0	110.5	P169 T170 Q175 G176 V177 G195 A199 W202	P169-Q173 HydrophobicContact CB-CB 4.15Å; T170-Q173 CarbonylContact O-C 3.58Å; T170-Q173 WeakPolarHBondContact O-CA 3.3Å; T170-Q173 WeakPolarHBondContact O-CB 3.37Å; T170-Q173 PolarHBondContact O-N 2.9Å; T170-Q173 VanDerWaalsContact OG1-CD 3.28Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.39Å; T170-Q173 PolarHBondContact OG1-N 3.1Å; T170-Q173 PolarHBondContact OG1-OE1 3.17Å; Q173-Q175 VanDerWaalsContact C-N 3.28Å; Q173-Q175 PolarHBondContact O-N 2.91Å; Q173-G176 PolarHBondContact O-N 3.17Å; Q173-V177 HydrophobicContact CB-CG2 4.41Å; Q173-V177 WeakPolarHBondContact O-CB 3.42Å; Q173-V177 PolarHBondContact O-N 2.88Å; Q173-G195 PolarHBondContact NE2-O 2.87Å; Q173-A199 HydrophobicContact CB-CB 4.47Å; Q173-A199 HydrophobicContact CG-CB 3.91Å; Q173-W202 HydrophobicContact CG-CZ3 4.3Å
174	A	96.8	Very high	94.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-56.5	-37.6	-176	0	0	0	0	0	113.4	F132 P144 V145 P169 T170 P171	F132-A174 HydrophobicContact CD2-CB 4.41Å; F132-A174 HydrophobicContact CE2-CB 4.03Å; P144-A174 CarbonylContact C-O 3.58Å; P144-A174 VanDerWaalsContact CA-O 3.24Å; P144-A174 WeakPolarHBondContact CA-O 3.23Å; V145-A174 HydrophobicContact CG2-CB 4.28Å; V145-A174 PolarHBondContact N-O 3.14Å; P169-A174 HydrophobicContact CB-CB 4.42Å; P169-A174 HydrophobicContact CG-CB 4.43Å; T170-A174 WeakPolarHBondContact O-CB 3.43Å; T170-A174 PolarHBondContact O-N 3.14Å; P171-A174 PolarHBondContact O-N 2.88Å
175	Q	97.3	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-98.5	-27.7	172.9	-175.7	59.4	94.2	0	0	113.8	R129 I134 V136 P142 P144 P171 Q173 V179 V352	R129-Q175 VanDerWaalsContact CZ-OE1 3.25Å; I134-Q175 HydrophobicContact CD1-CB 3.73Å; I134-Q175 HydrophobicContact CG2-CB 4.28Å; I134-Q175 HydrophobicContact CG2-CG 4.14Å; V136-Q175 HydrophobicContact CG2-CG 3.83Å; P142-Q175 PolarHBondContact O-NE2 2.98Å; P142-Q175 PolarHBondContact O-OE1 3.42Å; P144-Q175 HydrophobicContact CB-CB 4.07Å; P171-Q175 PolarHBondContact O-N 3.23Å; Q173-Q175 VanDerWaalsContact C-N 3.28Å; Q173-Q175 PolarHBondContact O-N 2.91Å; Q175-V179 VanDerWaalsContact O-CG2 3.25Å; Q175-V179 WeakPolarHBondContact O-CG2 3.31Å; Q175-V352 HydrophobicContact CB-CG1 4.02Å; Q175-V352 HydrophobicContact CG-CG1 3.73Å; Q175-V352 HydrophobicContact CG-CG2 3.96Å
176	G	97.4	Very high	95.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-77.7	-45.6	-175.6	0	0	0	0	0	113.7	I172 Q173 V179 V180	I172-G176 WeakPolarHBondContact O-CA 3.38Å; I172-G176 PolarHBondContact O-N 3.1Å; Q173-G176 PolarHBondContact O-N 3.17Å; G176-V179 WeakPolarHBondContact O-CB 3.25Å; G176-V179 PolarHBondContact O-N 2.82Å; G176-V179 VanDerWaalsContact O-N 3.16Å; G176-V180 WeakPolarHBondContact O-CG2 3.34Å; G176-V180 PolarHBondContact O-N 3.17Å
177	V	97.5	Very high	95.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-45.6	-178.4	169.4	0	0	0	0	112	F151 F153 Q173 V179 V180 M181 A199 W202 P203	F151-V177 HydrophobicContact CD1-CB 3.97Å; F151-V177 HydrophobicContact CD1-CG1 3.42Å; F151-V177 VanDerWaalsContact CD1-CG1 3.42Å; F151-V177 HydrophobicContact CD2-CG1 4.38Å; F151-V177 HydrophobicContact CE1-CB 3.48Å; F151-V177 VanDerWaalsContact CE1-CB 3.48Å; F151-V177 HydrophobicContact CE1-CG1 3.5Å; F151-V177 HydrophobicContact CE1-CG2 4.25Å; F151-V177 HydrophobicContact CE2-CG1 4.44Å; F151-V177 HydrophobicContact CG-CG1 3.9Å; F151-V177 HydrophobicContact CZ-CB 3.84Å; F151-V177 HydrophobicContact CZ-CG1 4.03Å; F151-V177 HydrophobicContact CZ-CG2 4.1Å; F153-V177 HydrophobicContact CE1-CG1 4.32Å; F153-V177 HydrophobicContact CZ-CG1 3.8Å; Q173-V177 HydrophobicContact CB-CG2 4.41Å; Q173-V177 WeakPolarHBondContact O-CB 3.42Å; Q173-V177 PolarHBondContact O-N 2.88Å; V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 2.97Å; V177-V180 PolarHBondContact O-N 3.25Å; V177-M181 HydrophobicContact CG1-CG 4.2Å; V177-M181 HydrophobicContact CG1-SD 3.65Å; V177-M181 WeakPolarHBondContact O-CB 3.49Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 2.98Å; V177-A199 HydrophobicContact CG2-CB 4.25Å; V177-W202 HydrophobicContact CG2-CE3 4.27Å; V177-P203 HydrophobicContact CG1-CG 4.22Å; V177-P203 HydrophobicContact CG2-CG 4.48Å
178	P	97.3	Very high	96.1	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-35.2	176.1	-26.2	38.7	0	0	0	113.7	Y111 P142 V145 F151 S182	Y111-P178 HydrophobicContact CD2-CB 4.18Å; Y111-P178 HydrophobicContact CE1-CB 4.21Å; Y111-P178 HydrophobicContact CE2-CB 3.69Å; Y111-P178 HydrophobicContact CE2-CG 4.16Å; P142-P178 HydrophobicContact CB-CB 3.87Å; V145-P178 HydrophobicContact CG1-CG 3.93Å; F151-P178 HydrophobicContact CD1-CG 4.46Å; F151-P178 HydrophobicContact CE1-CG 4.2Å; P178-S182 WeakPolarHBondContact O-CB 3.32Å; P178-S182 PolarHBondContact O-N 3.33Å; P178-S182 PolarHBondContact O-OG 2.98Å
179	V	97.7	Very high	96.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-66.8	-39.9	176.1	165.6	0	0	0	0	111.1	Q175 G176 V177 S182 I186 I350 V352	Q175-V179 VanDerWaalsContact O-CG2 3.25Å; Q175-V179 WeakPolarHBondContact O-CG2 3.31Å; G176-V179 WeakPolarHBondContact O-CB 3.25Å; G176-V179 PolarHBondContact O-N 2.82Å; G176-V179 VanDerWaalsContact O-N 3.16Å; V177-V179 VanDerWaalsContact C-N 3.33Å; V177-V179 PolarHBondContact O-N 2.97Å; V179-S182 PolarHBondContact O-OG 2.95Å; V179-I186 HydrophobicContact CB-CD1 4.13Å; V179-I186 HydrophobicContact CG1-CB 4.02Å; V179-I186 HydrophobicContact CG1-CD1 3.76Å; V179-I186 HydrophobicContact CG1-CG1 3.86Å; V179-I350 HydrophobicContact CG1-CB 3.75Å; V179-I350 HydrophobicContact CG1-CD1 4Å; V179-I350 HydrophobicContact CG1-CG1 4.45Å; V179-I350 HydrophobicContact CG1-CG2 3.97Å; V179-I350 HydrophobicContact CG2-CB 4.49Å; V179-I350 HydrophobicContact CG2-CD1 4.26Å; V179-I350 HydrophobicContact CG2-CG2 3.89Å; V179-V352 HydrophobicContact CG2-CG2 4.5Å
180	V	97.7	Very high	96.1	Very high	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-75.8	-45.3	180	176.7	0	0	0	0	111.2	G176 V177 S182 G183 I186 P203 Y296 Q326 L328	G176-V180 WeakPolarHBondContact O-CG2 3.34Å; G176-V180 PolarHBondContact O-N 3.17Å; V177-V180 PolarHBondContact O-N 3.25Å; V180-S182 PolarHBondContact O-N 2.8Å; V180-S182 VanDerWaalsContact O-N 3.14Å; V180-G183 PolarHBondContact O-N 2.73Å; V180-I186 HydrophobicContact CG2-CB 4.33Å; V180-I186 HydrophobicContact CG2-CD1 4.06Å; V180-I186 HydrophobicContact CG2-CG2 3.83Å; V180-P203 HydrophobicContact CB-CB 4.12Å; V180-P203 HydrophobicContact CB-CG 3.93Å; V180-P203 HydrophobicContact CG1-CB 3.41Å; V180-P203 VanDerWaalsContact CG1-CB 3.41Å; V180-P203 HydrophobicContact CG1-CG 3.69Å; V180-Y296 HydrophobicContact CG1-CE2 3.81Å; V180-Y296 WeakPolarHBondContact CG1-OH 3.45Å; V180-Q326 PolarHBondContact O-NE2 2.97Å; V180-L328 HydrophobicContact CB-CD2 4.36Å; V180-L328 HydrophobicContact CG1-CD2 3.66Å; V180-L328 HydrophobicContact CG2-CD2 3.65Å
181	M	96.8	Very high	95.5	Very high	7 Å²	7	9.2 Å²	9.2	3%	0.034	5%	0.047	C	C	.	.	H	α-helix	trans	-62.3	-20.9	176.7	-69.3	178.6	72.6	0	0	112.7	N109 F110 Y111 F151 F153 V177 G183 P203	N109-M181 CarbonylContact C-O 3.56Å; F110-M181 PolarHBondContact N-O 2.99Å; Y111-M181 HydrophobicContact CD2-CB 4.21Å; Y111-M181 HydrophobicContact CG-CB 4.38Å; Y111-M181 PolarHBondContact N-O 2.81Å; F151-M181 WeakPolarHBondContact O-CE 3.43Å; F153-M181 HydrophobicContact CD1-CE 4.42Å; F153-M181 HydrophobicContact CD1-SD 4.46Å; F153-M181 HydrophobicContact CE1-CE 4.13Å; F153-M181 HydrophobicContact CE1-SD 3.67Å; F153-M181 HydrophobicContact CZ-SD 4.4Å; V177-M181 HydrophobicContact CG1-CG 4.2Å; V177-M181 HydrophobicContact CG1-SD 3.65Å; V177-M181 WeakPolarHBondContact O-CB 3.49Å; V177-M181 WeakPolarHBondContact O-CG 3.39Å; V177-M181 PolarHBondContact O-N 2.98Å; M181-G183 PolarHBondContact O-N 3.01Å; M181-P203 HydrophobicContact CG-CB 3.86Å; M181-P203 HydrophobicContact CG-CG 3.99Å
182	S	96.2	Very high	94.6	Very high	20 Å²	20	8.2 Å²	8.2	14%	0.14	4%	0.041	C	C	.	.	B	Isolated β-bridge	trans	-83.6	17.3	173.4	73.3	0	0	0	0	114.6	N109 P178 V179 V180 R184	N109-S182 VanDerWaalsContact OD1-CA 3.26Å; N109-S182 WeakPolarHBondContact OD1-CA 3.34Å; P178-S182 WeakPolarHBondContact O-CB 3.32Å; P178-S182 PolarHBondContact O-N 3.33Å; P178-S182 PolarHBondContact O-OG 2.98Å; V179-S182 PolarHBondContact O-OG 2.95Å; V180-S182 PolarHBondContact O-N 2.8Å; V180-S182 VanDerWaalsContact O-N 3.14Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R184 VanDerWaalsContact O-N 3.1Å
183	G	95.8	Very high	93.6	Very high	7 Å²	7	10 Å²	10	7%	0.072	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	66	14.9	174.9	0	0	0	0	0	116.1	K108 V180 M181	K108-G183 WeakPolarHBondContact O-CA 3.37Å; K108-G183 PolarHBondContact O-N 2.88Å; V180-G183 PolarHBondContact O-N 2.73Å; M181-G183 PolarHBondContact O-N 3.01Å
184	R	96.5	Very high	93	Very high	51 Å²	51	10 Å²	10	19%	0.192	6%	0.06	C	C	.	.			trans	-95.1	144.1	-178.8	-68.8	-69.5	-63.8	-86	3.1	111	A139 S182 Q326 D348 I350	A139-R184 PolarHBondContact O-NH1 3.04Å; S182-R184 PolarHBondContact O-N 3.04Å; S182-R184 VanDerWaalsContact O-N 3.1Å; R184-Q326 PolarHBondContact O-NE2 2.83Å; R184-D348 IonicContact CZ-OD2 2.7Å; R184-D348 PolarHBondContact NE-O 3.5Å; R184-D348 IonicContact NE-OD2 3.45Å; R184-D348 IonicContact NH1-OD2 3.32Å; R184-D348 PolarHBondContact NH2-O 3.48Å; R184-D348 IonicContact NH2-OD1 2.71Å; R184-D348 PolarHBondContact NH2-OD1 3.07Å; R184-D348 IonicContact NH2-OD2 2.79Å; R184-D348 PolarHBondContact NH2-OD2 3.03Å; R184-I350 HydrophobicContact CB-CD1 4.07Å; R184-I350 HydrophobicContact CG-CD1 4.08Å
185	D	98	Very high	92.6	Very high	8 Å²	8	11.2 Å²	11.2	4%	0.043	7%	0.073	C	C	.	.			trans	-63.6	148.5	169.8	-76.1	14.6	0	0	0	110.9	C327 L346 S347 P349 I350	D185-C327 WeakPolarHBondContact CA-O 3.26Å; D185-C327 WeakPolarHBondContact CB-O 3.41Å; D185-C327 VanDerWaalsContact CG-O 3.22Å; D185-C327 PolarHBondContact OD1-N 2.82Å; D185-C327 WeakPolarHBondContact OD2-CB 3.02Å; D185-L346 HydrophobicContact CB-CB 4.3Å; D185-L346 WeakPolarHBondContact OD2-CA 3.34Å; D185-L346 WeakPolarHBondContact OD2-CB 3.45Å; D185-S347 PolarHBondContact OD2-N 2.94Å; D185-P349 HydrophobicContact CB-CB 3.83Å; D185-P349 CarbonylContact O-C 3.5Å; D185-P349 VanDerWaalsContact O-CA 3.3Å; D185-P349 WeakPolarHBondContact O-CA 3.27Å; D185-I350 PolarHBondContact O-N 2.83Å
186	I	97.7	Very high	92.4	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	140.7	-176.8	-164.8	174.3	0	0	0	113	V179 V180 C327 L328 M329 F330 I350 V352	V179-I186 HydrophobicContact CB-CD1 4.13Å; V179-I186 HydrophobicContact CG1-CB 4.02Å; V179-I186 HydrophobicContact CG1-CD1 3.76Å; V179-I186 HydrophobicContact CG1-CG1 3.86Å; V180-I186 HydrophobicContact CG2-CB 4.33Å; V180-I186 HydrophobicContact CG2-CD1 4.06Å; V180-I186 HydrophobicContact CG2-CG2 3.83Å; I186-C327 PolarHBondContact N-O 3.1Å; I186-L328 HydrophobicContact CG2-CB 3.75Å; I186-L328 HydrophobicContact CG2-CD2 3.97Å; I186-L328 HydrophobicContact CG2-CG 3.82Å; I186-M329 PolarHBondContact O-N 2.75Å; I186-F330 HydrophobicContact CD1-CZ 4.27Å; I186-F330 HydrophobicContact CG2-CE2 3.88Å; I186-F330 HydrophobicContact CG2-CZ 3.97Å; I186-I350 WeakPolarHBondContact CA-O 3.36Å; I186-I350 WeakPolarHBondContact CG1-O 3.35Å; I186-V352 HydrophobicContact CD1-CG2 4.16Å; I186-V352 HydrophobicContact CG1-CG2 4.37Å
187	V	97.3	Very high	92.3	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.006	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	97.7	162.2	178.1	0	0	0	0	108.5	I189 M329 F334 L346 P349 I350 K351 V352	V187-I189 HydrophobicContact CG1-CD1 3.8Å; V187-I189 HydrophobicContact CG1-CG1 4.04Å; V187-M329 CarbonylContact C-O 3.6Å; V187-M329 WeakPolarHBondContact CA-O 3.3Å; V187-M329 HydrophobicContact CG1-CE 3.91Å; V187-M329 HydrophobicContact CG2-CE 4.23Å; V187-F334 HydrophobicContact CG1-CD2 4Å; V187-F334 HydrophobicContact CG1-CE2 3.51Å; V187-F334 HydrophobicContact CG1-CZ 4.23Å; V187-L346 HydrophobicContact CG2-CD1 3.39Å; V187-P349 HydrophobicContact CG2-CB 4.29Å; V187-I350 PolarHBondContact N-O 2.8Å; V187-K351 HydrophobicContact CB-CB 4.12Å; V187-K351 HydrophobicContact CB-CG 4.01Å; V187-K351 HydrophobicContact CG1-CD 4.45Å; V187-K351 HydrophobicContact CG1-CG 4.02Å; V187-K351 WeakPolarHBondContact O-CA 3.5Å; V187-V352 PolarHBondContact O-N 2.86Å
188	G	96.2	Very high	92.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104	-177.2	0	0	0	0	0	112.8	M329 F330 S331	G188-M329 PolarHBondContact N-O 3.07Å; G188-F330 WeakPolarHBondContact O-CA 3.41Å; G188-S331 PolarHBondContact O-N 3.48Å
189	I	93.7	Very high	92.2	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.015	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	109.8	-177.9	-61.3	150.1	0	0	0	108.6	V187 F334 K351 V352 I353 Q354	V187-I189 HydrophobicContact CG1-CD1 3.8Å; V187-I189 HydrophobicContact CG1-CG1 4.04Å; I189-F334 HydrophobicContact CD1-CB 3.69Å; I189-F334 HydrophobicContact CD1-CD1 4.27Å; I189-F334 HydrophobicContact CD1-CD2 3.56Å; I189-F334 HydrophobicContact CD1-CE2 4.25Å; I189-F334 HydrophobicContact CD1-CG 3.57Å; I189-F334 HydrophobicContact CG1-CB 4.14Å; I189-F334 HydrophobicContact CG1-CD2 4.02Å; I189-F334 HydrophobicContact CG1-CG 4.29Å; I189-K351 HydrophobicContact CD1-CD 4.27Å; I189-K351 HydrophobicContact CD1-CG 4.12Å; I189-V352 PolarHBondContact N-O 2.69Å; I189-I353 HydrophobicContact CB-CG1 4.17Å; I189-I353 HydrophobicContact CD1-CD1 4.42Å; I189-I353 HydrophobicContact CD1-CG1 3.66Å; I189-I353 HydrophobicContact CG2-CG2 4.39Å; I189-I353 WeakPolarHBondContact O-CA 3.46Å; I189-Q354 PolarHBondContact O-N 2.69Å
190	A	89.6	Confident	92.2	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.008	9%	0.086	C	C	.	.			trans	-156.4	154.3	178.3	0	0	0	0	0	112.9	I172 S194 K196 S331 Q354	I172-A190 HydrophobicContact CB-CB 3.9Å; I172-A190 HydrophobicContact CD1-CB 4.15Å; I172-A190 HydrophobicContact CG1-CB 3.83Å; I172-A190 HydrophobicContact CG2-CB 4.25Å; A190-S194 WeakPolarHBondContact CB-OG 3.36Å; A190-K196 HydrophobicContact CB-CD 4.17Å; A190-K196 HydrophobicContact CB-CG 4.37Å; A190-K196 PolarHBondContact O-NZ 3.45Å; A190-S331 PolarHBondContact N-O 3.15Å; A190-Q354 HydrophobicContact CB-CB 3.88Å
191	K	80.3	Confident	92.2	Very high	57 Å²	57	13.7 Å²	13.7	25%	0.248	9%	0.087	C	C	.	.			trans	-52.1	153.5	-178.4	68.5	-177.8	-168.8	174.4	0	113.2	S194 N361 T362 D363	K191-S194 WeakPolarHBondContact O-CB 3.4Å; K191-S194 PolarHBondContact O-N 3.13Å; K191-S194 PolarHBondContact O-OG 2.75Å; K191-N361 HydrophobicContact CD-CB 4.08Å; K191-N361 WeakPolarHBondContact CE-OD1 3.28Å; K191-N361 PolarHBondContact NZ-OD1 2.72Å; K191-T362 PolarHBondContact NZ-OG1 2.92Å; K191-D363 IonicContact NZ-OD1 2.72Å; K191-D363 IonicContact NZ-OD2 3.72Å; K191-D363 PolarHBondContact NZ-OD2 3.43Å
192	T	74.4	Confident	92.2	Very high	10 Å²	10	13.3 Å²	13.3	6%	0.061	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.5	172.3	49.2	0	0	0	0	110.6	S194 G480	T192-S194 VanDerWaalsContact C-N 3.3Å; T192-S194 PolarHBondContact O-N 2.61Å; T192-G480 PolarHBondContact OG1-O 2.94Å
193	G	75	Confident	92.3	Very high	38 Å²	38	12.5 Å²	12.5	39%	0.392	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	7.4	-176.5	0	0	0	0	0	115.3	G195	G193-G195 VanDerWaalsContact C-N 3.27Å; G193-G195 PolarHBondContact O-N 2.85Å
194	S	83.7	Confident	92.4	Very high	7 Å²	7	12.2 Å²	12.2	5%	0.049	8%	0.076	C	C	.	.	S	Bend	trans	-77.2	0	177	55.5	0	0	0	0	115.2	T170 I172 A190 K191 T192	T170-S194 VanDerWaalsContact CB-O 3.23Å; T170-S194 WeakPolarHBondContact CB-O 3.21Å; T170-S194 WeakPolarHBondContact CG2-O 3.47Å; T170-S194 PolarHBondContact OG1-O 2.9Å; I172-S194 WeakPolarHBondContact CG2-O 3.38Å; A190-S194 WeakPolarHBondContact CB-OG 3.36Å; K191-S194 WeakPolarHBondContact O-CB 3.4Å; K191-S194 PolarHBondContact O-N 3.13Å; K191-S194 PolarHBondContact O-OG 2.75Å; T192-S194 VanDerWaalsContact C-N 3.3Å; T192-S194 PolarHBondContact O-N 2.61Å
195	G	88.8	Confident	92.4	Very high	25 Å²	25	9.9 Å²	9.9	26%	0.258	7%	0.068	S	C	.	.			trans	86.1	16.4	178.2	0	0	0	0	0	116.1	Q173 G193 T197 A198 A199	Q173-G195 PolarHBondContact NE2-O 2.87Å; G193-G195 VanDerWaalsContact C-N 3.27Å; G193-G195 PolarHBondContact O-N 2.85Å; G195-T197 PolarHBondContact O-N 2.88Å; G195-A198 PolarHBondContact O-N 3.32Å; G195-A199 PolarHBondContact O-N 2.82Å
196	K	93.6	Very high	92.2	Very high	14 Å²	14	11.4 Å²	11.4	6%	0.061	7%	0.073	C	C	.	.	H	α-helix	trans	-49.1	-40.8	177.7	-66.4	-176.2	-59.6	-160	0	113.9	I172 A190 A198 A199 Y200 F330 S331	I172-K196 HydrophobicContact CG1-CG 4.19Å; I172-K196 HydrophobicContact CG2-CG 4.11Å; A190-K196 HydrophobicContact CB-CD 4.17Å; A190-K196 HydrophobicContact CB-CG 4.37Å; A190-K196 PolarHBondContact O-NZ 3.45Å; K196-A198 PolarHBondContact O-N 3.35Å; K196-A199 WeakPolarHBondContact O-CA 3.34Å; K196-A199 VanDerWaalsContact O-CB 3.3Å; K196-A199 WeakPolarHBondContact O-CB 3.36Å; K196-A199 PolarHBondContact O-N 3.01Å; K196-Y200 WeakPolarHBondContact O-CD1 3.36Å; K196-Y200 PolarHBondContact O-N 3.03Å; K196-F330 HydrophobicContact CB-CD1 4.01Å; K196-F330 HydrophobicContact CD-CB 4.31Å; K196-F330 HydrophobicContact CD-CD1 4.01Å; K196-F330 HydrophobicContact CG-CD1 4.02Å; K196-S331 PolarHBondContact NZ-O 2.9Å
197	T	95.2	Very high	92.2	Very high	27 Å²	27	11.5 Å²	11.5	17%	0.166	7%	0.073	C	C	.	.	H	α-helix	trans	-55.4	-47.8	-179.5	-49.6	0	0	0	0	112.6	G195 A199 Y200 L201 V235 E238	G195-T197 PolarHBondContact O-N 2.88Å; T197-A199 VanDerWaalsContact C-N 3.32Å; T197-A199 PolarHBondContact O-N 2.85Å; T197-Y200 HydrophobicContact CG2-CE2 4.26Å; T197-Y200 WeakPolarHBondContact O-CD2 3.42Å; T197-Y200 PolarHBondContact O-N 3.04Å; T197-L201 HydrophobicContact CG2-CD1 3.72Å; T197-L201 HydrophobicContact CG2-CG 4.24Å; T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 VanDerWaalsContact O-CG 3.28Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 2.91Å; T197-V235 HydrophobicContact CG2-CB 4.48Å; T197-V235 HydrophobicContact CG2-CG1 4.19Å; T197-V235 HydrophobicContact CG2-CG2 3.97Å; T197-E238 HydrophobicContact CG2-CB 4.48Å
198	A	95.4	Very high	92.2	Very high	7 Å²	7	11.8 Å²	11.8	6%	0.058	8%	0.075	C	C	.	.	H	α-helix	trans	-66.6	-32.2	174.6	0	0	0	0	0	113	G195 K196 Y200 L201 W202	G195-A198 PolarHBondContact O-N 3.32Å; K196-A198 PolarHBondContact O-N 3.35Å; A198-Y200 PolarHBondContact O-N 3.41Å; A198-L201 PolarHBondContact O-N 3.15Å; A198-W202 HydrophobicContact CB-CD2 3.95Å; A198-W202 HydrophobicContact CB-CE3 4.15Å; A198-W202 HydrophobicContact CB-CH2 3.73Å; A198-W202 HydrophobicContact CB-CZ2 3.51Å; A198-W202 HydrophobicContact CB-CZ3 4.04Å; A198-W202 PolarHBondContact O-N 2.81Å
199	A	96.9	Very high	92.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66	-20.9	179.6	0	0	0	0	0	114	Q173 V177 G195 K196 T197	Q173-A199 HydrophobicContact CB-CB 4.47Å; Q173-A199 HydrophobicContact CG-CB 3.91Å; V177-A199 HydrophobicContact CG2-CB 4.25Å; G195-A199 PolarHBondContact O-N 2.82Å; K196-A199 WeakPolarHBondContact O-CA 3.34Å; K196-A199 VanDerWaalsContact O-CB 3.3Å; K196-A199 WeakPolarHBondContact O-CB 3.36Å; K196-A199 PolarHBondContact O-N 3.01Å; T197-A199 VanDerWaalsContact C-N 3.32Å; T197-A199 PolarHBondContact O-N 2.85Å
200	Y	97.6	Very high	92.1	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-108.2	-23.6	168.5	60.2	-108.9	0	0	0	114.4	K196 T197 A198 A204 I224 V235 Y296 V298 D300 F330	K196-Y200 WeakPolarHBondContact O-CD1 3.36Å; K196-Y200 PolarHBondContact O-N 3.03Å; T197-Y200 HydrophobicContact CG2-CE2 4.26Å; T197-Y200 WeakPolarHBondContact O-CD2 3.42Å; T197-Y200 PolarHBondContact O-N 3.04Å; A198-Y200 PolarHBondContact O-N 3.41Å; Y200-A204 WeakPolarHBondContact O-CB 3.35Å; Y200-A204 PolarHBondContact O-N 3.24Å; Y200-I224 HydrophobicContact CD2-CD1 4.29Å; Y200-I224 HydrophobicContact CE2-CD1 4.09Å; Y200-I224 HydrophobicContact CE2-CG2 4.03Å; Y200-V235 HydrophobicContact CE2-CG1 4.14Å; Y200-Y296 PolarHBondContact O-OH 2.85Å; Y200-V298 HydrophobicContact CD1-CG1 3.87Å; Y200-V298 HydrophobicContact CD2-CG1 3.97Å; Y200-V298 HydrophobicContact CD2-CG2 4.14Å; Y200-V298 HydrophobicContact CE1-CG1 4.03Å; Y200-V298 HydrophobicContact CE2-CG1 4.17Å; Y200-V298 HydrophobicContact CG-CG1 3.82Å; Y200-V298 HydrophobicContact CG-CG2 4.24Å; Y200-D300 HydrophobicContact CE1-CB 3.92Å; Y200-D300 VanDerWaalsContact CE1-OD2 3.26Å; Y200-D300 WeakPolarHBondContact CE1-OD2 3.46Å; Y200-D300 PolarHBondContact OH-OD2 2.86Å; Y200-F330 AromaticContact CD1-CD2 3.56Å; Y200-F330 HydrophobicContact CD1-CD2 3.56Å; Y200-F330 AromaticContact CD1-CE2 3.69Å; Y200-F330 HydrophobicContact CD1-CE2 3.69Å; Y200-F330 HydrophobicContact CD1-CG 4.08Å; Y200-F330 HydrophobicContact CD1-CZ 4.32Å; Y200-F330 HydrophobicContact CE1-CD2 4.23Å; Y200-F330 HydrophobicContact CE1-CG 4.45Å; Y200-F330 HydrophobicContact CG-CD2 4.41Å; Y200-F330 HydrophobicContact CG-CE2 4.23Å
201	L	97.7	Very high	92.3	Very high	4 Å²	4	21 Å²	21	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-72.6	-42.3	177.3	-75.8	-178.2	0	0	0	112.6	T197 A198 A204 L205 I224 E238 A239 Y242	T197-L201 HydrophobicContact CG2-CD1 3.72Å; T197-L201 HydrophobicContact CG2-CG 4.24Å; T197-L201 WeakPolarHBondContact O-CB 3.49Å; T197-L201 VanDerWaalsContact O-CG 3.28Å; T197-L201 WeakPolarHBondContact O-CG 3.5Å; T197-L201 PolarHBondContact O-N 2.91Å; A198-L201 PolarHBondContact O-N 3.15Å; L201-A204 WeakPolarHBondContact O-CB 3.4Å; L201-A204 PolarHBondContact O-N 3.44Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 3.06Å; L201-I224 HydrophobicContact CD2-CD1 3.51Å; L201-E238 HydrophobicContact CD1-CB 3.73Å; L201-A239 HydrophobicContact CD1-CB 4.26Å; L201-A239 HydrophobicContact CD2-CB 3.82Å; L201-Y242 HydrophobicContact CD1-CD2 4.28Å
202	W	97	Very high	93	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.5	-45.5	-176.9	-59.7	-30	0	0	0	113.4	F148 F151 F153 L157 I161 F166 Q173 V177 A198 A204 L205 Y242	F148-W202 HydrophobicContact CD1-CH2 4.3Å; F148-W202 HydrophobicContact CD1-CZ3 4.24Å; F148-W202 AromaticContact CE1-CH2 3.56Å; F148-W202 HydrophobicContact CE1-CH2 3.56Å; F148-W202 AromaticContact CE1-CZ3 3.75Å; F148-W202 HydrophobicContact CE1-CZ3 3.75Å; F148-W202 HydrophobicContact CZ-CH2 4.33Å; F151-W202 HydrophobicContact CE2-CZ3 4.31Å; F153-W202 HydrophobicContact CE1-CB 4.26Å; F153-W202 HydrophobicContact CE2-CB 3.95Å; F153-W202 HydrophobicContact CE2-CD2 4.04Å; F153-W202 AromaticContact CE2-CE3 3.8Å; F153-W202 HydrophobicContact CE2-CE3 3.8Å; F153-W202 HydrophobicContact CE2-CG 4.16Å; F153-W202 HydrophobicContact CZ-CB 3.51Å; F153-W202 HydrophobicContact CZ-CD2 4.39Å; F153-W202 HydrophobicContact CZ-CE3 4.16Å; F153-W202 HydrophobicContact CZ-CG 4.21Å; L157-W202 HydrophobicContact CD1-CG 4.37Å; L157-W202 HydrophobicContact CD2-CB 4.03Å; L157-W202 HydrophobicContact CD2-CG 4.19Å; I161-W202 HydrophobicContact CD1-CD2 4.03Å; I161-W202 HydrophobicContact CD1-CE3 4.4Å; I161-W202 HydrophobicContact CD1-CH2 4.21Å; I161-W202 HydrophobicContact CD1-CZ2 3.79Å; I161-W202 HydrophobicContact CD1-CZ3 4.5Å; I161-W202 HydrophobicContact CG1-CH2 4.46Å; I161-W202 HydrophobicContact CG1-CZ2 3.72Å; F166-W202 HydrophobicContact CD2-CH2 4.32Å; F166-W202 HydrophobicContact CD2-CZ2 4.14Å; F166-W202 HydrophobicContact CE2-CZ2 4.17Å; Q173-W202 HydrophobicContact CG-CZ3 4.3Å; V177-W202 HydrophobicContact CG2-CE3 4.27Å; A198-W202 HydrophobicContact CB-CD2 3.95Å; A198-W202 HydrophobicContact CB-CE3 4.15Å; A198-W202 HydrophobicContact CB-CH2 3.73Å; A198-W202 HydrophobicContact CB-CZ2 3.51Å; A198-W202 HydrophobicContact CB-CZ3 4.04Å; A198-W202 PolarHBondContact O-N 2.81Å; W202-A204 VanDerWaalsContact C-N 3.3Å; W202-A204 PolarHBondContact O-N 2.84Å; W202-L205 PolarHBondContact O-N 3.13Å; W202-Y242 AromaticContact NE1-CD1 3.55Å; W202-Y242 AromaticContact NE1-CD2 4Å; W202-Y242 AromaticContact NE1-CE1 3.37Å; W202-Y242 AromaticContact NE1-CE2 3.85Å; W202-Y242 AromaticContact NE1-CG 3.91Å; W202-Y242 AromaticContact NE1-CZ 3.57Å
203	P	97.2	Very high	93.9	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.019	16%	0.16	C	C	.	.	H	α-helix	trans	-65.2	-31.7	173.9	-22.1	35.1	0	0	0	113.5	V177 V180 M181 L205 Y206 H207	V177-P203 HydrophobicContact CG1-CG 4.22Å; V177-P203 HydrophobicContact CG2-CG 4.48Å; V180-P203 HydrophobicContact CB-CB 4.12Å; V180-P203 HydrophobicContact CB-CG 3.93Å; V180-P203 HydrophobicContact CG1-CB 3.41Å; V180-P203 VanDerWaalsContact CG1-CB 3.41Å; V180-P203 HydrophobicContact CG1-CG 3.69Å; M181-P203 HydrophobicContact CG-CB 3.86Å; M181-P203 HydrophobicContact CG-CG 3.99Å; P203-L205 PolarHBondContact O-N 2.94Å; P203-Y206 PolarHBondContact O-N 3.5Å; P203-H207 WeakPolarHBondContact O-CB 3.4Å; P203-H207 PolarHBondContact O-N 3.25Å
204	A	97.7	Very high	94.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-30.7	178.9	0	0	0	0	0	112.6	Y200 L201 W202 I208 Y296	Y200-A204 WeakPolarHBondContact O-CB 3.35Å; Y200-A204 PolarHBondContact O-N 3.24Å; L201-A204 WeakPolarHBondContact O-CB 3.4Å; L201-A204 PolarHBondContact O-N 3.44Å; W202-A204 VanDerWaalsContact C-N 3.3Å; W202-A204 PolarHBondContact O-N 2.84Å; A204-I208 WeakPolarHBondContact O-CB 3.22Å; A204-I208 VanDerWaalsContact O-CD1 3.26Å; A204-I208 WeakPolarHBondContact O-CD1 3.39Å; A204-I208 WeakPolarHBondContact O-CG1 3.41Å; A204-I208 PolarHBondContact O-N 3.08Å; A204-Y296 HydrophobicContact CB-CD1 4.09Å; A204-Y296 HydrophobicContact CB-CE1 3.57Å
205	L	96.9	Very high	95.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-65.4	-49.7	177.2	-57.4	166.7	0	0	0	110.6	L157 L201 W202 P203 H207 I208 M209 Y246 L248 I272	L157-L205 HydrophobicContact CD1-CD1 4.06Å; L157-L205 HydrophobicContact CD2-CD1 4.35Å; L201-L205 WeakPolarHBondContact O-CG 3.37Å; L201-L205 PolarHBondContact O-N 3.06Å; W202-L205 PolarHBondContact O-N 3.13Å; P203-L205 PolarHBondContact O-N 2.94Å; L205-H207 PolarHBondContact O-N 3.25Å; L205-I208 PolarHBondContact O-N 2.97Å; L205-M209 HydrophobicContact CB-CE 4.41Å; L205-M209 VanDerWaalsContact O-CG 3.31Å; L205-M209 WeakPolarHBondContact O-CG 3.41Å; L205-M209 PolarHBondContact O-N 2.76Å; L205-Y246 HydrophobicContact CB-CE2 4.38Å; L205-Y246 HydrophobicContact CD1-CD2 4.44Å; L205-Y246 HydrophobicContact CD1-CE2 4.05Å; L205-Y246 HydrophobicContact CD2-CD2 4.41Å; L205-L248 HydrophobicContact CD2-CD1 3.74Å; L205-I272 HydrophobicContact CD2-CD1 4.46Å
206	Y	95.3	Very high	95.4	Very high	39 Å²	39	37.2 Å²	37.2	15%	0.153	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-45.3	174.9	-75.1	-81.9	0	0	0	111.9	F153 D154 L157 P203 I208 M209 D210	F153-Y206 HydrophobicContact CD1-CD2 4.25Å; F153-Y206 AromaticContact CD1-CE2 3.52Å; F153-Y206 HydrophobicContact CD1-CE2 3.52Å; F153-Y206 HydrophobicContact CE1-CD2 4.31Å; F153-Y206 AromaticContact CE1-CE2 3.99Å; F153-Y206 HydrophobicContact CE1-CE2 3.99Å; F153-Y206 HydrophobicContact CG-CE2 4.38Å; D154-Y206 VanDerWaalsContact CG-OH 3.24Å; D154-Y206 PolarHBondContact N-OH 3.34Å; D154-Y206 PolarHBondContact OD2-OH 3.22Å; L157-Y206 HydrophobicContact CD2-CE2 4.01Å; P203-Y206 PolarHBondContact O-N 3.5Å; Y206-I208 PolarHBondContact O-N 3.04Å; Y206-M209 HydrophobicContact CD1-CE 4.02Å; Y206-M209 HydrophobicContact CE1-CE 4.04Å; Y206-M209 HydrophobicContact CG-CE 4.26Å; Y206-M209 PolarHBondContact O-N 3.16Å; Y206-M209 VanDerWaalsContact O-N 3.16Å; Y206-D210 PolarHBondContact O-N 3.07Å; Y206-D210 VanDerWaalsContact O-N 3.11Å
207	H	96.8	Very high	95.2	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	22%	0.224	C	C	.	.	H	α-helix	trans	-57.5	-36.3	176.9	-169.8	97.4	0	0	0	112.9	F106 F110 P203 L205 Q211 T295 Y296	F106-H207 AromaticContact CD2-CE1 3.88Å; F106-H207 AromaticContact CE2-CE1 3.8Å; F110-H207 HydrophobicContact CE2-CB 3.92Å; F110-H207 AromaticContact CE2-ND1 3.76Å; F110-H207 HydrophobicContact CZ-CB 4.47Å; P203-H207 WeakPolarHBondContact O-CB 3.4Å; P203-H207 PolarHBondContact O-N 3.25Å; L205-H207 PolarHBondContact O-N 3.25Å; H207-Q211 PolarHBondContact CD2-NE2 3.18Å; H207-Q211 PolarHBondContact NE2-NE2 3.24Å; H207-Q211 VanDerWaalsContact NE2-NE2 3.15Å; H207-Q211 PolarHBondContact O-NE2 3.3Å; H207-T295 WeakPolarHBondContact NE2-CB 3.39Å; H207-T295 PolarHBondContact NE2-OG1 2.85Å; H207-Y296 HydrophobicContact CB-CD2 4.11Å; H207-Y296 HydrophobicContact CB-CE2 4.5Å; H207-Y296 AromaticContact CG-CD2 3.7Å; H207-Y296 AromaticContact ND1-CD2 3.75Å
208	I	96.9	Very high	95.1	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.036	23%	0.225	C	C	.	.	H	α-helix	trans	-74.9	-44.8	175.4	-69.9	161.2	0	0	0	111.6	A204 L205 Y206 D210 Q211 I221 C222 L248 E271 I272	A204-I208 WeakPolarHBondContact O-CB 3.22Å; A204-I208 VanDerWaalsContact O-CD1 3.26Å; A204-I208 WeakPolarHBondContact O-CD1 3.39Å; A204-I208 WeakPolarHBondContact O-CG1 3.41Å; A204-I208 PolarHBondContact O-N 3.08Å; L205-I208 PolarHBondContact O-N 2.97Å; Y206-I208 PolarHBondContact O-N 3.04Å; I208-D210 VanDerWaalsContact C-N 3.3Å; I208-D210 PolarHBondContact O-N 3.11Å; I208-Q211 PolarHBondContact O-N 2.68Å; I208-Q211 VanDerWaalsContact O-N 3.13Å; I208-I221 HydrophobicContact CG1-CB 4.09Å; I208-I221 HydrophobicContact CG1-CG2 3.78Å; I208-I221 HydrophobicContact CG2-CD1 4.02Å; I208-C222 HydrophobicContact CD1-CB 3.81Å; I208-C222 HydrophobicContact CG1-CB 4.27Å; I208-L248 HydrophobicContact CB-CD1 4.33Å; I208-L248 HydrophobicContact CD1-CD1 4.11Å; I208-L248 HydrophobicContact CG2-CD1 3.96Å; I208-L248 HydrophobicContact CG2-CD2 3.61Å; I208-L248 HydrophobicContact CG2-CG 4.44Å; I208-E271 HydrophobicContact CG2-CB 3.99Å; I208-E271 HydrophobicContact CG2-CG 4.39Å; I208-I272 HydrophobicContact CD1-CD1 3.88Å; I208-I272 HydrophobicContact CD1-CG1 3.44Å; I208-I272 VanDerWaalsContact CD1-CG1 3.44Å
209	M	94.4	Very high	95.2	Very high	75 Å²	75	43.8 Å²	43.8	37%	0.369	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-25.8	-174.5	-72.8	-173.8	-65.4	0	0	114.3	L205 Y206 Q211 Y246	L205-M209 HydrophobicContact CB-CE 4.41Å; L205-M209 VanDerWaalsContact O-CG 3.31Å; L205-M209 WeakPolarHBondContact O-CG 3.41Å; L205-M209 PolarHBondContact O-N 2.76Å; Y206-M209 HydrophobicContact CD1-CE 4.02Å; Y206-M209 HydrophobicContact CE1-CE 4.04Å; Y206-M209 HydrophobicContact CG-CE 4.26Å; Y206-M209 PolarHBondContact O-N 3.16Å; Y206-M209 VanDerWaalsContact O-N 3.16Å; M209-Q211 VanDerWaalsContact C-N 3.29Å; M209-Y246 HydrophobicContact CE-CD1 4.06Å; M209-Y246 HydrophobicContact CE-CE1 3.73Å; M209-Y246 HydrophobicContact CE-CE2 4.43Å; M209-Y246 HydrophobicContact CE-CG 4.5Å; M209-Y246 HydrophobicContact SD-CD1 3.21Å; M209-Y246 WeakPolarHBondContact SD-CD1 3.43Å; M209-Y246 HydrophobicContact SD-CD2 4.44Å; M209-Y246 HydrophobicContact SD-CE1 3.46Å; M209-Y246 WeakPolarHBondContact SD-CE1 3.32Å; M209-Y246 HydrophobicContact SD-CG 3.72Å
210	D	94	Very high	95.2	Very high	100 Å²	100	44 Å²	44	54%	0.535	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0	175.9	-150	65	0	0	0	113.2	E107 F110 Y206 I208	E107-D210 WeakPolarHBondContact CB-OD2 3.47Å; F110-D210 HydrophobicContact CD1-CB 4.26Å; F110-D210 HydrophobicContact CE1-CB 3.51Å; F110-D210 HydrophobicContact CZ-CB 4.11Å; Y206-D210 PolarHBondContact O-N 3.07Å; Y206-D210 VanDerWaalsContact O-N 3.11Å; I208-D210 VanDerWaalsContact C-N 3.3Å; I208-D210 PolarHBondContact O-N 3.11Å
211	Q	93.7	Very high	95.2	Very high	23 Å²	23	44 Å²	44	11%	0.107	22%	0.224	C	C	.	.	S	Bend	trans	-101.8	150.6	171.6	-79	169.6	86.4	0	0	111.3	F106 H207 I208 M209 I221 T295	F106-Q211 HydrophobicContact CB-CG 4.14Å; H207-Q211 PolarHBondContact CD2-NE2 3.18Å; H207-Q211 PolarHBondContact NE2-NE2 3.24Å; H207-Q211 VanDerWaalsContact NE2-NE2 3.15Å; H207-Q211 PolarHBondContact O-NE2 3.3Å; I208-Q211 PolarHBondContact O-N 2.68Å; I208-Q211 VanDerWaalsContact O-N 3.13Å; M209-Q211 VanDerWaalsContact C-N 3.29Å; Q211-I221 HydrophobicContact CB-CD1 4.44Å; Q211-T295 VanDerWaalsContact CD-OG1 3.3Å; Q211-T295 PolarHBondContact NE2-OG1 3.33Å; Q211-T295 PolarHBondContact OE1-OG1 3.12Å
212	R	94	Very high	95.3	Very high	104 Å²	104	43.9 Å²	43.9	39%	0.392	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-57.1	149.6	174.1	65.2	169.2	-178.1	79.7	-3.2	111.8	E104 E218 R293	E104-R212 VanDerWaalsContact CD-NH2 3.35Å; E104-R212 IonicContact OE1-CZ 3.57Å; E104-R212 IonicContact OE1-NE 3.88Å; E104-R212 IonicContact OE1-NH2 2.96Å; E104-R212 PolarHBondContact OE1-NH2 3.46Å; E104-R212 VanDerWaalsContact OE1-NH2 3.11Å; E104-R212 IonicContact OE2-CZ 2.69Å; E104-R212 IonicContact OE2-NE 3.75Å; E104-R212 PolarHBondContact OE2-NE 3.41Å; E104-R212 IonicContact OE2-NH2 3.71Å; E104-R212 PolarHBondContact OE2-NH2 3.37Å; R212-E218 IonicContact CZ-OE1 3.48Å; R212-E218 VanDerWaalsContact CZ-OE1 3.3Å; R212-E218 IonicContact CZ-OE2 3.43Å; R212-E218 VanDerWaalsContact NH1-CD 3.31Å; R212-E218 IonicContact NH1-OE1 2.71Å; R212-E218 PolarHBondContact NH1-OE1 3.44Å; R212-E218 IonicContact NH1-OE2 2.72Å; R212-E218 PolarHBondContact NH1-OE2 2.75Å; R212-E218 IonicContact NH2-OE1 3.64Å; R212-E218 PolarHBondContact NH2-OE1 2.97Å; R212-E218 IonicContact NH2-OE2 2.8Å; R212-R293 VanDerWaalsContact CZ-NH1 3.3Å; R212-R293 PolarHBondContact O-NH2 3.03Å
213	D	93.8	Very high	95.3	Very high	136 Å²	136	43.9 Å²	43.9	73%	0.727	22%	0.223	S	C	*	.	P	Polyproline II helix	trans	-53.6	145.6	174.5	-63.3	-51.8	0	0	0	113	Q215	D213-Q215 PolarHBondContact O-N 3.5Å; D213-Q215 PolarHBondContact O-NE2 2.72Å
214	L	93.9	Very high	95.4	Very high	23 Å²	23	43.7 Å²	43.7	12%	0.12	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-66.2	130.1	175.3	-72.9	-178.8	0	0	0	111.7	E218 G219 I221 A270 E271 R293	L214-E218 WeakPolarHBondContact CA-OE2 3.17Å; L214-E218 HydrophobicContact CD2-CB 3.83Å; L214-G219 WeakPolarHBondContact CD2-O 3.45Å; L214-I221 HydrophobicContact CD2-CD1 4.35Å; L214-I221 HydrophobicContact CD2-CG1 4.14Å; L214-I221 HydrophobicContact CG-CD1 4.36Å; L214-A270 WeakPolarHBondContact CD1-O 3.39Å; L214-E271 HydrophobicContact CD1-CB 4.44Å; L214-E271 HydrophobicContact CD1-CG 3.85Å; L214-E271 HydrophobicContact CG-CG 4.25Å; L214-R293 HydrophobicContact CD2-CG 4.49Å
215	Q	93.8	Very high	95.4	Very high	107 Å²	107	43.7 Å²	43.7	50%	0.5	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-86.9	161.2	170.9	-57.2	-54.3	-63.7	0	0	111	D213 N217 E218	D213-Q215 PolarHBondContact O-N 3.5Å; D213-Q215 PolarHBondContact O-NE2 2.72Å; Q215-N217 PolarHBondContact O-N 2.91Å; Q215-E218 HydrophobicContact CB-CG 4.04Å; Q215-E218 PolarHBondContact N-OE2 2.76Å; Q215-E218 WeakPolarHBondContact O-CB 3.13Å; Q215-E218 WeakPolarHBondContact O-CG 3.46Å; Q215-E218 PolarHBondContact O-N 2.75Å; Q215-E218 VanDerWaalsContact O-N 3.11Å
216	P	90.8	Very high	95.4	Very high	108 Å²	108	43.6 Å²	43.6	70%	0.701	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	136.7	176.1	-26.1	35.6	0	0	0	112.4	E218	P216-E218 VanDerWaalsContact C-N 3.3Å
217	N	89.8	Confident	95.2	Very high	144 Å²	144	41.9 Å²	41.9	77%	0.77	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	4.7	-174.4	-39.3	-86.5	0	0	0	116.3	Q215 N290	Q215-N217 PolarHBondContact O-N 2.91Å; N217-N290 PolarHBondContact O-ND2 3.5Å
218	E	94.5	Very high	94.7	Very high	41 Å²	41	42.8 Å²	42.8	19%	0.192	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-76.9	146.1	174.2	-69.6	-166.2	142.9	0	0	113.2	R212 L214 Q215 P216 R293	R212-E218 IonicContact CZ-OE1 3.48Å; R212-E218 VanDerWaalsContact CZ-OE1 3.3Å; R212-E218 IonicContact CZ-OE2 3.43Å; R212-E218 VanDerWaalsContact NH1-CD 3.31Å; R212-E218 IonicContact NH1-OE1 2.71Å; R212-E218 PolarHBondContact NH1-OE1 3.44Å; R212-E218 IonicContact NH1-OE2 2.72Å; R212-E218 PolarHBondContact NH1-OE2 2.75Å; R212-E218 IonicContact NH2-OE1 3.64Å; R212-E218 PolarHBondContact NH2-OE1 2.97Å; R212-E218 IonicContact NH2-OE2 2.8Å; L214-E218 WeakPolarHBondContact CA-OE2 3.17Å; L214-E218 HydrophobicContact CD2-CB 3.83Å; Q215-E218 HydrophobicContact CB-CG 4.04Å; Q215-E218 PolarHBondContact N-OE2 2.76Å; Q215-E218 WeakPolarHBondContact O-CB 3.13Å; Q215-E218 WeakPolarHBondContact O-CG 3.46Å; Q215-E218 PolarHBondContact O-N 2.75Å; Q215-E218 VanDerWaalsContact O-N 3.11Å; P216-E218 VanDerWaalsContact C-N 3.3Å; E218-R293 HydrophobicContact CB-CG 4.23Å; E218-R293 HydrophobicContact CG-CG 4.49Å; E218-R293 IonicContact OE2-NE 3.34Å
219	G	95.7	Very high	94.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.01	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-74.7	171.5	173.1	0	0	0	0	0	113.6	L214 N290 R293	L214-G219 WeakPolarHBondContact CD2-O 3.45Å; G219-N290 WeakPolarHBondContact CA-O 3.23Å; G219-N290 WeakPolarHBondContact CA-OD1 3.3Å; G219-N290 PolarHBondContact N-ND2 3.22Å; G219-N290 PolarHBondContact N-OD1 3.09Å; G219-N290 VanDerWaalsContact N-OD1 3.14Å; G219-R293 WeakPolarHBondContact O-CB 3.4Å
220	P	97.8	Very high	93.8	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.019	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-66.2	156	179.1	28.4	-35.3	0	0	0	113	A270 V273 N290 R293 V294	P220-A270 VanDerWaalsContact CA-O 3.26Å; P220-A270 WeakPolarHBondContact CA-O 3.14Å; P220-A270 WeakPolarHBondContact CB-O 3.02Å; P220-V273 HydrophobicContact CB-CB 4.17Å; P220-V273 HydrophobicContact CB-CG2 3.73Å; P220-V273 HydrophobicContact CG-CB 4.07Å; P220-V273 HydrophobicContact CG-CG2 3.78Å; P220-N290 WeakPolarHBondContact CD-O 3.46Å; P220-R293 CarbonylContact O-C 3.6Å; P220-R293 VanDerWaalsContact O-C 3.22Å; P220-V294 HydrophobicContact CG-CG2 4Å; P220-V294 WeakPolarHBondContact O-CA 3.36Å; P220-V294 WeakPolarHBondContact O-CG2 3.36Å; P220-V294 PolarHBondContact O-N 2.79Å
221	I	98.1	Very high	93.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	-84.8	-43.8	172.8	-64.4	162.7	0	0	0	109.9	I208 Q211 L214 E271 V294 T295 Y296	I208-I221 HydrophobicContact CG1-CB 4.09Å; I208-I221 HydrophobicContact CG1-CG2 3.78Å; I208-I221 HydrophobicContact CG2-CD1 4.02Å; Q211-I221 HydrophobicContact CB-CD1 4.44Å; L214-I221 HydrophobicContact CD2-CD1 4.35Å; L214-I221 HydrophobicContact CD2-CG1 4.14Å; L214-I221 HydrophobicContact CG-CD1 4.36Å; I221-E271 PolarHBondContact N-O 3.46Å; I221-V294 WeakPolarHBondContact O-CA 3.48Å; I221-T295 PolarHBondContact O-N 2.94Å; I221-T295 VanDerWaalsContact O-N 3.14Å; I221-Y296 PolarHBondContact O-N 2.87Å; I221-Y296 VanDerWaalsContact O-N 3.15Å
222	C	98.5	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.2	-179.6	-178.6	0	0	0	0	110.7	I208 E271 I272 V273 Y296	I208-C222 HydrophobicContact CD1-CB 3.81Å; I208-C222 HydrophobicContact CG1-CB 4.27Å; C222-E271 PolarHBondContact N-O 3.48Å; C222-I272 HydrophobicContact CB-CG1 4.18Å; C222-I272 HydrophobicContact CB-CG2 4.41Å; C222-I272 WeakPolarHBondContact O-CA 3.14Å; C222-V273 PolarHBondContact O-N 3.12Å; C222-Y296 WeakPolarHBondContact CA-O 3.26Å; C222-Y296 HydrophobicContact CB-CD1 4.44Å; C222-Y296 VanDerWaalsContact SG-CD1 3.55Å
223	L	98.6	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.4	175.2	-176.8	68.3	0	0	0	110.6	V225 V273 L280 L291 V294 Y296 L297 V298 I317 I321	L223-V225 HydrophobicContact CD2-CG2 4.08Å; L223-V225 HydrophobicContact CG-CG2 4.02Å; L223-V273 HydrophobicContact CD1-CB 4Å; L223-V273 HydrophobicContact CD1-CG1 3.84Å; L223-L280 HydrophobicContact CD1-CD1 3.94Å; L223-L280 HydrophobicContact CD1-CD2 3.99Å; L223-L280 HydrophobicContact CD2-CD2 3.66Å; L223-L280 HydrophobicContact CG-CD2 4.38Å; L223-L291 HydrophobicContact CD2-CD2 4.19Å; L223-V294 HydrophobicContact CB-CG1 3.74Å; L223-V294 HydrophobicContact CB-CG2 4.15Å; L223-Y296 PolarHBondContact N-O 2.98Å; L223-L297 HydrophobicContact CB-CD1 4.13Å; L223-L297 HydrophobicContact CD2-CD1 3.85Å; L223-L297 HydrophobicContact CG-CD1 4.17Å; L223-V298 PolarHBondContact O-N 3.35Å; L223-I317 HydrophobicContact CD2-CG2 3.88Å; L223-I321 HydrophobicContact CD2-CD1 3.91Å
224	I	98.6	Very high	93.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	107.4	-179.1	-52.1	178.3	0	0	0	109.3	Y200 L201 V226 V235 I272 V273 V274 C275 V298	Y200-I224 HydrophobicContact CD2-CD1 4.29Å; Y200-I224 HydrophobicContact CE2-CD1 4.09Å; Y200-I224 HydrophobicContact CE2-CG2 4.03Å; L201-I224 HydrophobicContact CD2-CD1 3.51Å; I224-V226 HydrophobicContact CG2-CG1 4.26Å; I224-V235 HydrophobicContact CD1-CG1 4.34Å; I224-V235 HydrophobicContact CG2-CG1 4Å; I224-I272 HydrophobicContact CD1-CG2 4.09Å; I224-V273 PolarHBondContact N-O 3.41Å; I224-V274 HydrophobicContact CB-CG2 4.33Å; I224-V274 HydrophobicContact CD1-CG2 4.33Å; I224-V274 CarbonylContact O-C 3.6Å; I224-V274 WeakPolarHBondContact O-CA 3.43Å; I224-C275 PolarHBondContact O-N 2.65Å; I224-V298 HydrophobicContact CB-CB 4.38Å; I224-V298 HydrophobicContact CG1-CB 4.18Å; I224-V298 HydrophobicContact CG1-CG2 4.18Å; I224-V298 HydrophobicContact CG2-CB 4.11Å; I224-V298 HydrophobicContact CG2-CG1 4.26Å
225	V	98	Very high	93.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.4	-176.3	-169.6	0	0	0	0	110	L223 C275 P277 L297 V298 F299 D300 M305 I317	L223-V225 HydrophobicContact CD2-CG2 4.08Å; L223-V225 HydrophobicContact CG-CG2 4.02Å; V225-C275 WeakPolarHBondContact CA-O 3.5Å; V225-P277 HydrophobicContact CG1-CB 4.43Å; V225-P277 HydrophobicContact CG1-CG 3.66Å; V225-L297 HydrophobicContact CG2-CD1 4.21Å; V225-V298 PolarHBondContact N-O 3.14Å; V225-F299 HydrophobicContact CB-CD1 3.66Å; V225-F299 HydrophobicContact CB-CE1 3.81Å; V225-F299 HydrophobicContact CG1-CD1 4.02Å; V225-F299 HydrophobicContact CG1-CE1 4.02Å; V225-F299 HydrophobicContact CG2-CD1 4.12Å; V225-F299 HydrophobicContact CG2-CE1 3.81Å; V225-D300 PolarHBondContact O-N 3.17Å; V225-D300 VanDerWaalsContact O-N 3.11Å; V225-M305 HydrophobicContact CG1-SD 3.97Å; V225-I317 HydrophobicContact CG1-CD1 4.46Å; V225-I317 HydrophobicContact CG2-CG2 4.4Å
226	V	95.7	Very high	93.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.133	C	C	.	.			trans	-132.6	152.3	-176.4	-61.6	0	0	0	0	112.4	I224 T228 L231 A232 C275 T276 P277 D300	I224-V226 HydrophobicContact CG2-CG1 4.26Å; V226-T228 VanDerWaalsContact C-N 3.34Å; V226-T228 PolarHBondContact O-N 3.37Å; V226-L231 HydrophobicContact CB-CD2 4.13Å; V226-L231 HydrophobicContact CB-CG 4.18Å; V226-L231 HydrophobicContact CG1-CD2 4.36Å; V226-L231 HydrophobicContact CG1-CG 4.27Å; V226-A232 HydrophobicContact CG2-CB 3.59Å; V226-C275 WeakPolarHBondContact CG2-O 2.99Å; V226-C275 PolarHBondContact N-O 2.93Å; V226-T276 WeakPolarHBondContact O-CA 3.48Å; V226-P277 VanDerWaalsContact O-CD 3.29Å; V226-P277 WeakPolarHBondContact O-CD 3.42Å; V226-D300 HydrophobicContact CG1-CB 4.32Å
227	P	90.8	Very high	93.6	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.019	11%	0.11	C	C	.	.	S	Bend	trans	-65.4	-21.3	-174	17.5	-30.4	0	0	0	117	L231 D300 E301 R304 M305 L308 F310	P227-L231 HydrophobicContact CG-CD2 4.18Å; P227-D300 WeakPolarHBondContact CD-O 3.33Å; P227-E301 HydrophobicContact CG-CB 3.74Å; P227-R304 HydrophobicContact CB-CB 4.36Å; P227-R304 HydrophobicContact CB-CG 3.95Å; P227-R304 HydrophobicContact CG-CB 4.11Å; P227-R304 HydrophobicContact CG-CG 3.97Å; P227-M305 HydrophobicContact CB-CG 3.67Å; P227-M305 HydrophobicContact CG-CG 4.15Å; P227-L308 HydrophobicContact CB-CD1 3.72Å; P227-F310 WeakPolarHBondContact O-CE2 3.33Å
228	T	87.7	Confident	93.9	Very high	22 Å²	22	17.9 Å²	17.9	14%	0.135	9%	0.086	C	C	.	.	S	Bend	trans	-155.7	157	-172.9	54.7	0	0	0	0	114.9	V226 E230 L231 A232 T276 R304 L308	V226-T228 VanDerWaalsContact C-N 3.34Å; V226-T228 PolarHBondContact O-N 3.37Å; T228-E230 VanDerWaalsContact C-N 3.34Å; T228-E230 WeakPolarHBondContact CB-OE2 3.44Å; T228-E230 PolarHBondContact O-N 3.14Å; T228-E230 PolarHBondContact OG1-OE2 3.09Å; T228-L231 PolarHBondContact O-N 3.44Å; T228-A232 PolarHBondContact O-N 3.26Å; T228-T276 VanDerWaalsContact C-CG2 3.45Å; T228-R304 PolarHBondContact OG1-NH1 2.98Å; T228-R304 PolarHBondContact OG1-NH2 3.42Å; T228-L308 HydrophobicContact CG2-CD1 4.08Å
229	R	87.5	Confident	94	Very high	15 Å²	15	16 Å²	16	6%	0.057	8%	0.077	C	C	.	.	H	α-helix	trans	-50	-43.8	178	172.1	169.4	174.7	149.6	-2.3	114.3	L231 A232 I233 Y254 G256 N431	R229-L231 PolarHBondContact O-N 3.38Å; R229-A232 WeakPolarHBondContact O-CB 3.44Å; R229-A232 PolarHBondContact O-N 2.88Å; R229-I233 HydrophobicContact CG-CD1 3.68Å; R229-I233 HydrophobicContact CG-CG1 4.37Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.45Å; R229-I233 PolarHBondContact O-N 3.01Å; R229-Y254 HydrophobicContact CB-CD1 4.48Å; R229-Y254 HydrophobicContact CB-CD2 4.29Å; R229-Y254 HydrophobicContact CB-CG 4Å; R229-Y254 VanDerWaalsContact CD-CD2 3.46Å; R229-Y254 HydrophobicContact CG-CD1 3.94Å; R229-Y254 HydrophobicContact CG-CD2 3.65Å; R229-Y254 HydrophobicContact CG-CE1 4.21Å; R229-Y254 HydrophobicContact CG-CE2 3.98Å; R229-Y254 HydrophobicContact CG-CG 3.65Å; R229-G256 PolarHBondContact NH1-O 3.49Å; R229-N431 PolarHBondContact NH2-ND2 3.32Å; R229-N431 VanDerWaalsContact NH2-ND2 3.11Å
230	E	84.1	Confident	94	Very high	24 Å²	24	22.8 Å²	22.8	11%	0.112	10%	0.102	C	C	.	.	H	α-helix	trans	-65.4	-44.4	-174.6	-55.3	72.7	-162	0	0	110.8	T228 I233 Q234 R430 I434	T228-E230 VanDerWaalsContact C-N 3.34Å; T228-E230 WeakPolarHBondContact CB-OE2 3.44Å; T228-E230 PolarHBondContact O-N 3.14Å; T228-E230 PolarHBondContact OG1-OE2 3.09Å; E230-I233 PolarHBondContact O-N 3.47Å; E230-Q234 PolarHBondContact O-N 2.91Å; E230-R430 IonicContact OE1-CZ 2.67Å; E230-R430 IonicContact OE1-NH1 2.65Å; E230-R430 PolarHBondContact OE1-NH1 3.37Å; E230-R430 IonicContact OE1-NH2 3Å; E230-R430 PolarHBondContact OE1-NH2 2.65Å; E230-I434 HydrophobicContact CG-CD1 4.24Å
231	L	88.4	Confident	93.9	Very high	8 Å²	8	25.9 Å²	25.9	4%	0.042	12%	0.116	C	C	.	.	H	α-helix	trans	-69.7	-34.3	174.5	-175.9	58.1	0	0	0	111.5	V226 P227 T228 R229 Q234 V235 E301	V226-L231 HydrophobicContact CB-CD2 4.13Å; V226-L231 HydrophobicContact CB-CG 4.18Å; V226-L231 HydrophobicContact CG1-CD2 4.36Å; V226-L231 HydrophobicContact CG1-CG 4.27Å; P227-L231 HydrophobicContact CG-CD2 4.18Å; T228-L231 PolarHBondContact O-N 3.44Å; R229-L231 PolarHBondContact O-N 3.38Å; L231-Q234 PolarHBondContact O-N 2.99Å; L231-V235 HydrophobicContact CD1-CG2 3.99Å; L231-V235 HydrophobicContact CG-CG2 4.36Å; L231-V235 WeakPolarHBondContact O-CG2 3.38Å; L231-V235 PolarHBondContact O-N 3.08Å; L231-E301 HydrophobicContact CD2-CB 4.28Å; L231-E301 HydrophobicContact CD2-CG 3.98Å
232	A	92.6	Very high	93.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-45.6	173.8	0	0	0	0	0	111.3	V226 T228 R229 V235 Y236 C252 Y254 V274	V226-A232 HydrophobicContact CG2-CB 3.59Å; T228-A232 PolarHBondContact O-N 3.26Å; R229-A232 WeakPolarHBondContact O-CB 3.44Å; R229-A232 PolarHBondContact O-N 2.88Å; A232-V235 PolarHBondContact O-N 3.42Å; A232-Y236 WeakPolarHBondContact O-CB 3.42Å; A232-Y236 PolarHBondContact O-N 2.91Å; A232-C252 VanDerWaalsContact C-SG 3.51Å; A232-C252 PolarHBondContact O-SG 3.08Å; A232-C252 VanDerWaalsContact O-SG 3.39Å; A232-Y254 HydrophobicContact CB-CD1 4.14Å; A232-V274 HydrophobicContact CB-CG1 4.3Å; A232-V274 WeakPolarHBondContact O-CG1 3.12Å
233	I	91.5	Very high	93.7	Very high	49 Å²	49	25.9 Å²	25.9	25%	0.251	12%	0.116	S	C	.	.	H	α-helix	trans	-63	-41.4	174.6	-67.3	165.3	0	0	0	110.5	R229 E230 N237 Y254	R229-I233 HydrophobicContact CG-CD1 3.68Å; R229-I233 HydrophobicContact CG-CG1 4.37Å; R229-I233 VanDerWaalsContact O-CG1 3.3Å; R229-I233 WeakPolarHBondContact O-CG1 3.45Å; R229-I233 PolarHBondContact O-N 3.01Å; E230-I233 PolarHBondContact O-N 3.47Å; I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.33Å; I233-N237 PolarHBondContact O-ND2 2.93Å; I233-Y254 HydrophobicContact CD1-CE1 3.9Å; I233-Y254 HydrophobicContact CG1-CD1 4.16Å; I233-Y254 HydrophobicContact CG1-CE1 3.44Å; I233-Y254 VanDerWaalsContact CG1-CE1 3.44Å
234	Q	90.4	Very high	93.6	Very high	53 Å²	53	34.2 Å²	34.2	25%	0.248	15%	0.152	C	C	.	.	H	α-helix	trans	-60.2	-53.7	176.1	178	178.4	-0.4	0	0	112	E230 L231 Y236 N237 E238 D456	E230-Q234 PolarHBondContact O-N 2.91Å; L231-Q234 PolarHBondContact O-N 2.99Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.41Å; Q234-N237 PolarHBondContact O-N 2.99Å; Q234-E238 PolarHBondContact O-N 3.07Å; Q234-D456 PolarHBondContact NE2-OD2 3.18Å
235	V	95.3	Very high	93.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-34.8	-176.4	176.2	0	0	0	0	111	T197 Y200 I224 L231 A232 N237 E238 A239 V274	T197-V235 HydrophobicContact CG2-CB 4.48Å; T197-V235 HydrophobicContact CG2-CG1 4.19Å; T197-V235 HydrophobicContact CG2-CG2 3.97Å; Y200-V235 HydrophobicContact CE2-CG1 4.14Å; I224-V235 HydrophobicContact CD1-CG1 4.34Å; I224-V235 HydrophobicContact CG2-CG1 4Å; L231-V235 HydrophobicContact CD1-CG2 3.99Å; L231-V235 HydrophobicContact CG-CG2 4.36Å; L231-V235 WeakPolarHBondContact O-CG2 3.38Å; L231-V235 PolarHBondContact O-N 3.08Å; A232-V235 PolarHBondContact O-N 3.42Å; V235-N237 VanDerWaalsContact C-N 3.35Å; V235-N237 PolarHBondContact O-N 3.46Å; V235-E238 PolarHBondContact O-N 2.74Å; V235-A239 VanDerWaalsContact O-CB 3.24Å; V235-A239 WeakPolarHBondContact O-CB 3.41Å; V235-A239 PolarHBondContact O-N 2.78Å; V235-V274 HydrophobicContact CB-CG1 3.92Å; V235-V274 HydrophobicContact CG1-CG1 3.98Å; V235-V274 HydrophobicContact CG1-CG2 4.26Å
236	Y	96.8	Very high	93.3	Very high	59 Å²	59	38.6 Å²	38.6	23%	0.231	18%	0.175	C	C	.	.	H	α-helix	trans	-56.2	-44.7	169.4	167.1	-92.9	0	0	0	112.6	A232 Q234 A239 R240 V250 C252	A232-Y236 WeakPolarHBondContact O-CB 3.42Å; A232-Y236 PolarHBondContact O-N 2.91Å; Q234-Y236 VanDerWaalsContact C-N 3.33Å; Q234-Y236 PolarHBondContact O-N 3.41Å; Y236-A239 PolarHBondContact O-N 2.8Å; Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.4Å; Y236-R240 PolarHBondContact O-N 3.18Å; Y236-V250 HydrophobicContact CD2-CB 4.26Å; Y236-V250 HydrophobicContact CD2-CG1 3.63Å; Y236-V250 HydrophobicContact CE2-CB 4.15Å; Y236-V250 HydrophobicContact CE2-CG1 4.02Å; Y236-V250 VanDerWaalsContact CE2-O 3.32Å; Y236-V250 WeakPolarHBondContact CE2-O 3.43Å; Y236-C252 HydrophobicContact CD2-CB 3.55Å; Y236-C252 HydrophobicContact CE2-CB 4.13Å; Y236-C252 HydrophobicContact CG-CB 3.79Å
237	N	95.1	Very high	93.2	Very high	41 Å²	41	41.5 Å²	41.5	22%	0.219	21%	0.205	C	C	.	.	H	α-helix	trans	-67.9	-42.5	-178.9	-75.1	-49.9	0	0	0	112.2	I233 Q234 V235 R240 K241	I233-N237 VanDerWaalsContact O-CG 3.31Å; I233-N237 PolarHBondContact O-N 3.33Å; I233-N237 PolarHBondContact O-ND2 2.93Å; Q234-N237 PolarHBondContact O-N 2.99Å; V235-N237 VanDerWaalsContact C-N 3.35Å; V235-N237 PolarHBondContact O-N 3.46Å; N237-R240 PolarHBondContact O-N 3.15Å; N237-K241 VanDerWaalsContact O-CB 3.27Å; N237-K241 WeakPolarHBondContact O-CB 3.45Å; N237-K241 PolarHBondContact O-N 3.02Å
238	E	95.2	Very high	93.5	Very high	54 Å²	54	42.7 Å²	42.7	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-40.5	173.3	-75.5	-67.7	110.5	0	0	111.5	T197 L201 Q234 V235 R240 K241 Y242	T197-E238 HydrophobicContact CG2-CB 4.48Å; L201-E238 HydrophobicContact CD1-CB 3.73Å; Q234-E238 PolarHBondContact O-N 3.07Å; V235-E238 PolarHBondContact O-N 2.74Å; E238-R240 PolarHBondContact O-N 3.06Å; E238-K241 VanDerWaalsContact CD-NZ 3.3Å; E238-K241 WeakPolarHBondContact O-CB 3.47Å; E238-K241 PolarHBondContact O-N 2.85Å; E238-K241 WeakPolarHBondContact OE1-CD 3.47Å; E238-K241 IonicContact OE1-NZ 3.3Å; E238-K241 PolarHBondContact OE1-NZ 3.09Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.34Å; E238-Y242 HydrophobicContact CB-CE2 4.07Å; E238-Y242 WeakPolarHBondContact O-CD2 3.42Å; E238-Y242 PolarHBondContact O-N 3.44Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.33Å; E238-Y242 VanDerWaalsContact OE2-CZ 3.25Å; E238-Y242 PolarHBondContact OE2-OH 3.1Å
239	A	97.6	Very high	93.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175.3	0	0	0	0	0	111.8	L201 V235 Y236 K241 Y242 G243 V250 I272	L201-A239 HydrophobicContact CD1-CB 4.26Å; L201-A239 HydrophobicContact CD2-CB 3.82Å; V235-A239 VanDerWaalsContact O-CB 3.24Å; V235-A239 WeakPolarHBondContact O-CB 3.41Å; V235-A239 PolarHBondContact O-N 2.78Å; Y236-A239 PolarHBondContact O-N 2.8Å; A239-K241 VanDerWaalsContact C-N 3.31Å; A239-K241 PolarHBondContact O-N 3.48Å; A239-Y242 PolarHBondContact O-N 3.29Å; A239-G243 WeakPolarHBondContact O-CA 3.47Å; A239-G243 PolarHBondContact O-N 3.1Å; A239-V250 HydrophobicContact CB-CG1 3.83Å; A239-V250 HydrophobicContact CB-CG2 4.26Å; A239-I272 HydrophobicContact CB-CG2 4.44Å
240	R	96.7	Very high	94.4	Very high	144 Å²	144	46.6 Å²	46.6	54%	0.543	23%	0.225	S	C	.	.	H	α-helix	trans	-62	-37.8	175.1	-174.6	-178.8	178.8	-144	-0.5	111.9	Y236 N237 E238 K244 V250	Y236-R240 VanDerWaalsContact O-CB 3.31Å; Y236-R240 WeakPolarHBondContact O-CB 3.4Å; Y236-R240 PolarHBondContact O-N 3.18Å; N237-R240 PolarHBondContact O-N 3.15Å; E238-R240 PolarHBondContact O-N 3.06Å; R240-K244 WeakPolarHBondContact O-CB 3.21Å; R240-K244 PolarHBondContact O-N 3.47Å; R240-V250 HydrophobicContact CB-CG2 4.43Å
241	K	95.5	Very high	95	Very high	69 Å²	69	46.2 Å²	46.2	30%	0.3	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-47.3	178	164.6	-170.9	163.2	-164	0	112.8	V160 S164 N237 E238 A239	V160-K241 HydrophobicContact CG1-CG 4.02Å; S164-K241 WeakPolarHBondContact OG-CE 3.29Å; S164-K241 PolarHBondContact OG-NZ 3.01Å; S164-K241 VanDerWaalsContact OG-NZ 3.09Å; N237-K241 VanDerWaalsContact O-CB 3.27Å; N237-K241 WeakPolarHBondContact O-CB 3.45Å; N237-K241 PolarHBondContact O-N 3.02Å; E238-K241 VanDerWaalsContact CD-NZ 3.3Å; E238-K241 WeakPolarHBondContact O-CB 3.47Å; E238-K241 PolarHBondContact O-N 2.85Å; E238-K241 WeakPolarHBondContact OE1-CD 3.47Å; E238-K241 IonicContact OE1-NZ 3.3Å; E238-K241 PolarHBondContact OE1-NZ 3.09Å; E238-K241 IonicContact OE2-NZ 3.59Å; E238-K241 PolarHBondContact OE2-NZ 3.34Å; A239-K241 VanDerWaalsContact C-N 3.31Å; A239-K241 PolarHBondContact O-N 3.48Å
242	Y	96.1	Very high	95.4	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-82.8	-22	177.5	-53.6	-73	0	0	0	113.4	L157 V160 I161 L201 W202 E238 A239 P245 Y246	L157-Y242 HydrophobicContact CD1-CD1 3.8Å; L157-Y242 HydrophobicContact CD1-CG 4.37Å; V160-Y242 HydrophobicContact CB-CD1 4.14Å; V160-Y242 HydrophobicContact CG1-CD1 3.48Å; V160-Y242 VanDerWaalsContact CG1-CD1 3.48Å; V160-Y242 HydrophobicContact CG1-CE1 3.75Å; V160-Y242 HydrophobicContact CG1-CG 4.46Å; I161-Y242 HydrophobicContact CG1-CE1 4.48Å; L201-Y242 HydrophobicContact CD1-CD2 4.28Å; W202-Y242 AromaticContact NE1-CD1 3.55Å; W202-Y242 AromaticContact NE1-CD2 4Å; W202-Y242 AromaticContact NE1-CE1 3.37Å; W202-Y242 AromaticContact NE1-CE2 3.85Å; W202-Y242 AromaticContact NE1-CG 3.91Å; W202-Y242 AromaticContact NE1-CZ 3.57Å; E238-Y242 HydrophobicContact CB-CE2 4.07Å; E238-Y242 WeakPolarHBondContact O-CD2 3.42Å; E238-Y242 PolarHBondContact O-N 3.44Å; E238-Y242 WeakPolarHBondContact OE2-CE2 3.33Å; E238-Y242 VanDerWaalsContact OE2-CZ 3.25Å; E238-Y242 PolarHBondContact OE2-OH 3.1Å; A239-Y242 PolarHBondContact O-N 3.29Å; Y242-P245 WeakPolarHBondContact O-CD 3.24Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.27Å
243	G	96.1	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-80.9	-26.8	176.8	0	0	0	0	0	114.8	A239 P245 Y246 G247 L248	A239-G243 WeakPolarHBondContact O-CA 3.47Å; A239-G243 PolarHBondContact O-N 3.1Å; G243-P245 VanDerWaalsContact C-CD 3.43Å; G243-Y246 PolarHBondContact O-N 3.36Å; G243-G247 PolarHBondContact O-N 3.3Å; G243-L248 PolarHBondContact O-N 3.02Å
244	K	95.1	Very high	95.7	Very high	174 Å²	174	45.9 Å²	45.9	76%	0.757	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-51.8	-43.1	-178.9	-178	-179.3	177.2	-173.3	0	114.9	R240 Y246 G247	R240-K244 WeakPolarHBondContact O-CB 3.21Å; R240-K244 PolarHBondContact O-N 3.47Å; K244-Y246 PolarHBondContact O-N 2.84Å; K244-G247 PolarHBondContact O-N 2.68Å
245	P	94.7	Very high	95.6	Very high	52 Å²	52	45 Å²	45	34%	0.338	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-60	-35	178.5	-22	33.5	0	0	0	113.1	Q156 V160 Y242 G243	Q156-P245 HydrophobicContact CB-CB 4.05Å; Q156-P245 PolarHBondContact OE1-O 3.27Å; V160-P245 HydrophobicContact CG2-CG 3.71Å; Y242-P245 WeakPolarHBondContact O-CD 3.24Å; G243-P245 VanDerWaalsContact C-CD 3.43Å
246	Y	95.5	Very high	94.9	Very high	41 Å²	41	47.9 Å²	47.9	16%	0.161	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-91.6	6.7	-176.4	-55.5	-67.5	0	0	0	113.6	D154 Q156 L157 L205 M209 Y242 G243 K244 L248	D154-Y246 PolarHBondContact OD1-OH 3.09Å; D154-Y246 PolarHBondContact OD2-OH 3.41Å; Q156-Y246 HydrophobicContact CB-CE1 4.16Å; L157-Y246 HydrophobicContact CB-CE2 4.37Å; L157-Y246 VanDerWaalsContact CB-OH 3.24Å; L157-Y246 WeakPolarHBondContact CB-OH 3.48Å; L157-Y246 PolarHBondContact N-OH 3.03Å; L205-Y246 HydrophobicContact CB-CE2 4.38Å; L205-Y246 HydrophobicContact CD1-CD2 4.44Å; L205-Y246 HydrophobicContact CD1-CE2 4.05Å; L205-Y246 HydrophobicContact CD2-CD2 4.41Å; M209-Y246 HydrophobicContact CE-CD1 4.06Å; M209-Y246 HydrophobicContact CE-CE1 3.73Å; M209-Y246 HydrophobicContact CE-CE2 4.43Å; M209-Y246 HydrophobicContact CE-CG 4.5Å; M209-Y246 HydrophobicContact SD-CD1 3.21Å; M209-Y246 WeakPolarHBondContact SD-CD1 3.43Å; M209-Y246 HydrophobicContact SD-CD2 4.44Å; M209-Y246 HydrophobicContact SD-CE1 3.46Å; M209-Y246 WeakPolarHBondContact SD-CE1 3.32Å; M209-Y246 HydrophobicContact SD-CG 3.72Å; Y242-Y246 WeakPolarHBondContact O-CD2 3.27Å; G243-Y246 PolarHBondContact O-N 3.36Å; K244-Y246 PolarHBondContact O-N 2.84Å; Y246-L248 PolarHBondContact O-N 3.34Å; Y246-L248 VanDerWaalsContact O-N 3.15Å
247	G	94.8	Very high	94.2	Very high	61 Å²	61	45.7 Å²	45.7	63%	0.629	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	2.3	-178.5	0	0	0	0	0	115.7	G243 K244	G243-G247 PolarHBondContact O-N 3.3Å; K244-G247 PolarHBondContact O-N 2.68Å
248	L	96.5	Very high	93.9	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.147	26%	0.255	C	S	.	.			trans	-65.7	133.8	-172.7	-58.9	-177.7	0	0	0	112.4	L205 I208 G243 Y246 E271	L205-L248 HydrophobicContact CD2-CD1 3.74Å; I208-L248 HydrophobicContact CB-CD1 4.33Å; I208-L248 HydrophobicContact CD1-CD1 4.11Å; I208-L248 HydrophobicContact CG2-CD1 3.96Å; I208-L248 HydrophobicContact CG2-CD2 3.61Å; I208-L248 HydrophobicContact CG2-CG 4.44Å; G243-L248 PolarHBondContact O-N 3.02Å; Y246-L248 PolarHBondContact O-N 3.34Å; Y246-L248 VanDerWaalsContact O-N 3.15Å; L248-E271 HydrophobicContact CD2-CB 4.31Å; L248-E271 HydrophobicContact CD2-CG 4.24Å
249	R	96.8	Very high	93.8	Very high	103 Å²	103	47.4 Å²	47.4	39%	0.389	26%	0.262	S	S	.	.			trans	-90	130.6	177.2	-55.6	173.6	-67.4	169.5	-0.2	109.4	E268 G269 E271 I272	R249-E268 PolarHBondContact NH1-O 3.1Å; R249-G269 VanDerWaalsContact CZ-C 3.5Å; R249-G269 PolarHBondContact NE-O 3.17Å; R249-G269 PolarHBondContact NH1-O 3.06Å; R249-G269 VanDerWaalsContact NH1-O 3.12Å; R249-E271 WeakPolarHBondContact CA-OE2 3.43Å; R249-E271 WeakPolarHBondContact CB-OE2 3.27Å; R249-E271 IonicContact CZ-OE1 3.44Å; R249-E271 PolarHBondContact N-OE2 2.96Å; R249-E271 IonicContact NE-OE1 2.75Å; R249-E271 PolarHBondContact NE-OE1 3.27Å; R249-E271 VanDerWaalsContact NE-OE1 3.08Å; R249-E271 IonicContact NE-OE2 3.11Å; R249-E271 PolarHBondContact NE-OE2 3.3Å; R249-E271 IonicContact NH2-OE1 2.68Å; R249-E271 PolarHBondContact NH2-OE1 2.99Å; R249-E271 PolarHBondContact O-N 2.91Å; R249-E271 VanDerWaalsContact O-N 3.13Å; R249-I272 PolarHBondContact O-N 3.26Å
250	V	97.7	Very high	93.6	Very high	16 Å²	16	55.4 Å²	55.4	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.1	179.7	-169.2	0	0	0	0	107.8	Y236 A239 R240 I272 V274	Y236-V250 HydrophobicContact CD2-CB 4.26Å; Y236-V250 HydrophobicContact CD2-CG1 3.63Å; Y236-V250 HydrophobicContact CE2-CB 4.15Å; Y236-V250 HydrophobicContact CE2-CG1 4.02Å; Y236-V250 VanDerWaalsContact CE2-O 3.32Å; Y236-V250 WeakPolarHBondContact CE2-O 3.43Å; A239-V250 HydrophobicContact CB-CG1 3.83Å; A239-V250 HydrophobicContact CB-CG2 4.26Å; R240-V250 HydrophobicContact CB-CG2 4.43Å; V250-I272 WeakPolarHBondContact CA-O 3.21Å; V250-I272 HydrophobicContact CB-CB 4.47Å; V250-I272 HydrophobicContact CG1-CB 4.11Å; V250-I272 HydrophobicContact CG1-CG2 4.12Å; V250-I272 HydrophobicContact CG2-CB 4.18Å; V250-I272 HydrophobicContact CG2-CD1 4.2Å; V250-V274 HydrophobicContact CG1-CG2 4.26Å
251	V	97.4	Very high	93.5	Very high	15 Å²	15	51.3 Å²	51.3	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.9	175.5	171.2	0	0	0	0	110.5	A265 L266 A270 I272 V273 V274	V251-A265 HydrophobicContact CG1-CB 4.1Å; V251-A265 HydrophobicContact CG2-CB 3.94Å; V251-L266 HydrophobicContact CB-CD2 4.34Å; V251-L266 HydrophobicContact CG1-CD2 3.96Å; V251-L266 HydrophobicContact CG1-CG 4.11Å; V251-A270 HydrophobicContact CB-CB 3.97Å; V251-A270 HydrophobicContact CG2-CB 3.54Å; V251-I272 PolarHBondContact N-O 3.05Å; V251-V273 HydrophobicContact CB-CG2 4.45Å; V251-V274 PolarHBondContact O-N 2.68Å
252	C	97	Very high	93.5	Very high	17 Å²	17	48.7 Å²	48.7	12%	0.115	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.2	178.5	-152.5	0	0	0	0	111.2	A232 Y236 Y254 V274	A232-C252 VanDerWaalsContact C-SG 3.51Å; A232-C252 PolarHBondContact O-SG 3.08Å; A232-C252 VanDerWaalsContact O-SG 3.39Å; Y236-C252 HydrophobicContact CD2-CB 3.55Å; Y236-C252 HydrophobicContact CE2-CB 4.13Å; Y236-C252 HydrophobicContact CG-CB 3.79Å; C252-Y254 HydrophobicContact CB-CD1 4.31Å; C252-Y254 HydrophobicContact CB-CE1 3.98Å; C252-Y254 WeakPolarHBondContact SG-CD1 3.44Å; C252-Y254 WeakPolarHBondContact SG-CE1 3.48Å; C252-V274 CarbonylContact C-O 3.59Å; C252-V274 VanDerWaalsContact CA-O 3.29Å; C252-V274 WeakPolarHBondContact CA-O 3.25Å
253	A	96.3	Very high	93.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	98.2	-172.9	0	0	0	0	0	112	V274 C275 T276 R279 L283	A253-V274 PolarHBondContact N-O 3.02Å; A253-C275 HydrophobicContact CB-CB 3.91Å; A253-C275 CarbonylContact O-C 3.52Å; A253-C275 WeakPolarHBondContact O-CA 3.5Å; A253-C275 WeakPolarHBondContact O-CB 3.46Å; A253-T276 PolarHBondContact O-N 3.11Å; A253-R279 HydrophobicContact CB-CG 4.41Å; A253-L283 HydrophobicContact CB-CD1 3.77Å
254	Y	93.7	Very high	93.4	Very high	33 Å²	33	54.5 Å²	54.5	13%	0.129	30%	0.296	C	S	.	.			trans	-138.1	156.7	-177.3	51.9	-113.8	0	0	0	114	R229 A232 I233 C252 Q262 T276 R279	R229-Y254 HydrophobicContact CB-CD1 4.48Å; R229-Y254 HydrophobicContact CB-CD2 4.29Å; R229-Y254 HydrophobicContact CB-CG 4Å; R229-Y254 VanDerWaalsContact CD-CD2 3.46Å; R229-Y254 HydrophobicContact CG-CD1 3.94Å; R229-Y254 HydrophobicContact CG-CD2 3.65Å; R229-Y254 HydrophobicContact CG-CE1 4.21Å; R229-Y254 HydrophobicContact CG-CE2 3.98Å; R229-Y254 HydrophobicContact CG-CG 3.65Å; A232-Y254 HydrophobicContact CB-CD1 4.14Å; I233-Y254 HydrophobicContact CD1-CE1 3.9Å; I233-Y254 HydrophobicContact CG1-CD1 4.16Å; I233-Y254 HydrophobicContact CG1-CE1 3.44Å; I233-Y254 VanDerWaalsContact CG1-CE1 3.44Å; C252-Y254 HydrophobicContact CB-CD1 4.31Å; C252-Y254 HydrophobicContact CB-CE1 3.98Å; C252-Y254 WeakPolarHBondContact SG-CD1 3.44Å; C252-Y254 WeakPolarHBondContact SG-CE1 3.48Å; Y254-Q262 PolarHBondContact O-NE2 3.29Å; Y254-Q262 PolarHBondContact O-OE1 3.28Å; Y254-T276 WeakPolarHBondContact CA-OG1 3.23Å; Y254-R279 PolarHBondContact O-NH1 3.5Å; Y254-R279 VanDerWaalsContact O-NH1 3.08Å
255	G	87.4	Confident	93.4	Very high	35 Å²	35	47.6 Å²	47.6	36%	0.361	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	155.2	173.9	0	0	0	0	0	113.8	G257	G255-G257 PolarHBondContact O-N 2.79Å
256	G	81.5	Confident	93.4	Very high	60 Å²	60	45.5 Å²	45.5	62%	0.619	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	9.5	-178.3	0	0	0	0	0	115.1	R229	R229-G256 PolarHBondContact NH1-O 3.49Å
257	G	81.4	Confident	93.4	Very high	13 Å²	13	49.1 Å²	49.1	13%	0.134	28%	0.275	C	S	.	.	S	Bend	trans	-111.2	161	163.7	0	0	0	0	0	110.2	G255 K259 R279	G255-G257 PolarHBondContact O-N 2.79Å; G257-K259 PolarHBondContact O-N 3.48Å; G257-R279 PolarHBondContact O-NH1 3.17Å; G257-R279 PolarHBondContact O-NH2 3.25Å
258	S	90.2	Very high	93.3	Very high	40 Å²	40	52 Å²	52	28%	0.28	27%	0.272	S	S	.	.			trans	-52.1	126	-179.2	179.2	0	0	0	0	111.4	W260 E261 Q262	S258-W260 PolarHBondContact OG-N 2.98Å; S258-E261 VanDerWaalsContact CB-OE2 3.24Å; S258-E261 WeakPolarHBondContact CB-OE2 3.04Å; S258-E261 PolarHBondContact OG-N 3.19Å; S258-Q262 WeakPolarHBondContact O-CG 3.17Å; S258-Q262 PolarHBondContact O-N 3.5Å
259	K	92.2	Very high	93.1	Very high	92 Å²	92	51.2 Å²	51.2	40%	0.4	27%	0.271	S	S	.	.	H	α-helix	trans	-66	-45.6	173.3	-174.2	-172.7	176.2	-166.6	0	109.4	G257 E261 Q262 T263 L283	G257-K259 PolarHBondContact O-N 3.48Å; K259-E261 PolarHBondContact O-N 2.86Å; K259-Q262 PolarHBondContact O-N 2.69Å; K259-T263 WeakPolarHBondContact O-CB 3.45Å; K259-T263 PolarHBondContact O-N 3.28Å; K259-T263 PolarHBondContact O-OG1 3.42Å; K259-L283 HydrophobicContact CG-CD2 4.46Å
260	W	93.6	Very high	93.1	Very high	169 Å²	169	46.5 Å²	46.5	64%	0.64	25%	0.254	S	S	*	.	H	α-helix	trans	-58.2	-47.5	-179.5	-173.6	92.3	0	0	0	113.4	S258 Q262 T263 K264	S258-W260 PolarHBondContact OG-N 2.98Å; W260-Q262 VanDerWaalsContact C-N 3.33Å; W260-Q262 PolarHBondContact O-N 3.44Å; W260-T263 PolarHBondContact O-N 3.21Å; W260-K264 HydrophobicContact CH2-CD 4.15Å; W260-K264 HydrophobicContact CZ3-CD 4.45Å; W260-K264 PolarHBondContact O-N 2.8Å
261	E	94	Very high	93.1	Very high	58 Å²	58	46.7 Å²	46.7	27%	0.271	25%	0.254	S	S	.	.	H	α-helix	trans	-64.4	-38.3	179.6	-65	172.2	158.9	0	0	111.6	K39 S258 K259 A265	K39-E261 VanDerWaalsContact NZ-CD 3.3Å; K39-E261 IonicContact NZ-OE1 3.93Å; K39-E261 PolarHBondContact NZ-OE1 3.2Å; K39-E261 IonicContact NZ-OE2 2.95Å; K39-E261 PolarHBondContact NZ-OE2 2.74Å; S258-E261 VanDerWaalsContact CB-OE2 3.24Å; S258-E261 WeakPolarHBondContact CB-OE2 3.04Å; S258-E261 PolarHBondContact OG-N 3.19Å; K259-E261 PolarHBondContact O-N 2.86Å; E261-A265 WeakPolarHBondContact O-CB 3.24Å; E261-A265 PolarHBondContact O-N 3.44Å; E261-A265 VanDerWaalsContact O-N 3.12Å
262	Q	95.2	Very high	93.1	Very high	14 Å²	14	46 Å²	46	7%	0.065	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-38.8	175.7	-68	174.1	11.8	0	0	112.2	Y254 S258 K259 W260 A265 L266 R279 L283	Y254-Q262 PolarHBondContact O-NE2 3.29Å; Y254-Q262 PolarHBondContact O-OE1 3.28Å; S258-Q262 WeakPolarHBondContact O-CG 3.17Å; S258-Q262 PolarHBondContact O-N 3.5Å; K259-Q262 PolarHBondContact O-N 2.69Å; W260-Q262 VanDerWaalsContact C-N 3.33Å; W260-Q262 PolarHBondContact O-N 3.44Å; Q262-A265 PolarHBondContact O-N 3.15Å; Q262-L266 WeakPolarHBondContact O-CG 3.4Å; Q262-L266 PolarHBondContact O-N 3.42Å; Q262-L266 VanDerWaalsContact O-N 3.11Å; Q262-R279 VanDerWaalsContact CD-NH1 3.31Å; Q262-L283 HydrophobicContact CB-CD1 4.2Å; Q262-L283 HydrophobicContact CB-CD2 4.49Å
263	T	95.7	Very high	93.2	Very high	26 Å²	26	45.2 Å²	45.2	16%	0.16	24%	0.244	C	C	.	.	H	α-helix	trans	-58.8	-51	173.5	-71.5	0	0	0	0	110.9	K259 W260 A265 L266 Q267 L283 A288	K259-T263 WeakPolarHBondContact O-CB 3.45Å; K259-T263 PolarHBondContact O-N 3.28Å; K259-T263 PolarHBondContact O-OG1 3.42Å; W260-T263 PolarHBondContact O-N 3.21Å; T263-A265 PolarHBondContact O-N 2.98Å; T263-L266 PolarHBondContact O-N 3.22Å; T263-Q267 HydrophobicContact CG2-CG 4.41Å; T263-Q267 WeakPolarHBondContact O-CG 3.43Å; T263-Q267 PolarHBondContact O-N 3.2Å; T263-L283 WeakPolarHBondContact OG1-CD2 3.5Å; T263-A288 HydrophobicContact CG2-CB 3.77Å
264	K	95.3	Very high	93.3	Very high	98 Å²	98	45.2 Å²	45.2	43%	0.426	24%	0.244	S	C	.	.	H	α-helix	trans	-60.9	-45.9	-179.9	178.7	175	168.2	176.4	0	111.8	W260 L266 Q267 E268	W260-K264 HydrophobicContact CH2-CD 4.15Å; W260-K264 HydrophobicContact CZ3-CD 4.45Å; W260-K264 PolarHBondContact O-N 2.8Å; K264-L266 PolarHBondContact O-N 3.3Å; K264-Q267 PolarHBondContact O-N 2.74Å; K264-Q267 VanDerWaalsContact O-N 3.17Å; K264-E268 WeakPolarHBondContact CE-OE1 3.28Å; K264-E268 IonicContact NZ-OE1 3.92Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.79Å
265	A	94.6	Very high	93.5	Very high	29 Å²	29	43.7 Å²	43.7	24%	0.24	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-29.8	179.1	0	0	0	0	0	113.3	V251 E261 Q262 T263	V251-A265 HydrophobicContact CG1-CB 4.1Å; V251-A265 HydrophobicContact CG2-CB 3.94Å; E261-A265 WeakPolarHBondContact O-CB 3.24Å; E261-A265 PolarHBondContact O-N 3.44Å; E261-A265 VanDerWaalsContact O-N 3.12Å; Q262-A265 PolarHBondContact O-N 3.15Å; T263-A265 PolarHBondContact O-N 2.98Å
266	L	96	Very high	93.9	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.037	23%	0.225	C	C	.	.	H	α-helix	trans	-78.1	-35.9	173.2	-72.2	170.9	0	0	0	112.9	V251 Q262 T263 K264 E268 G269 V273 L283 A288 T289	V251-L266 HydrophobicContact CB-CD2 4.34Å; V251-L266 HydrophobicContact CG1-CD2 3.96Å; V251-L266 HydrophobicContact CG1-CG 4.11Å; Q262-L266 WeakPolarHBondContact O-CG 3.4Å; Q262-L266 PolarHBondContact O-N 3.42Å; Q262-L266 VanDerWaalsContact O-N 3.11Å; T263-L266 PolarHBondContact O-N 3.22Å; K264-L266 PolarHBondContact O-N 3.3Å; L266-E268 VanDerWaalsContact C-N 3.34Å; L266-G269 WeakPolarHBondContact O-CA 3.3Å; L266-G269 PolarHBondContact O-N 3.5Å; L266-V273 HydrophobicContact CD2-CG1 4.48Å; L266-V273 HydrophobicContact CD2-CG2 3.52Å; L266-L283 HydrophobicContact CD1-CB 4.13Å; L266-L283 HydrophobicContact CD1-CD1 3.77Å; L266-L283 HydrophobicContact CD1-CD2 4.43Å; L266-L283 HydrophobicContact CD1-CG 4.34Å; L266-A288 WeakPolarHBondContact CB-O 3.49Å; L266-A288 HydrophobicContact CD1-CB 4.49Å; L266-T289 HydrophobicContact CD1-CG2 4.04Å
267	Q	93.6	Very high	94.5	Very high	117 Å²	117	39.9 Å²	39.9	55%	0.547	20%	0.196	S	C	.	.	H	α-helix	trans	-68.9	-30.3	176	-73.3	173.9	-25.7	0	0	113	T263 K264 G269	T263-Q267 HydrophobicContact CG2-CG 4.41Å; T263-Q267 WeakPolarHBondContact O-CG 3.43Å; T263-Q267 PolarHBondContact O-N 3.2Å; K264-Q267 PolarHBondContact O-N 2.74Å; K264-Q267 VanDerWaalsContact O-N 3.17Å; Q267-G269 PolarHBondContact O-N 3.46Å
268	E	92.9	Very high	95.1	Very high	122 Å²	122	39.5 Å²	39.5	57%	0.57	19%	0.192	S	C	*	.	S	Bend	trans	-66.9	-23.8	168.4	-72.3	173.2	178.9	0	0	111.9	R249 K264 L266	R249-E268 PolarHBondContact NH1-O 3.1Å; K264-E268 WeakPolarHBondContact CE-OE1 3.28Å; K264-E268 IonicContact NZ-OE1 3.92Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.79Å; L266-E268 VanDerWaalsContact C-N 3.34Å
269	G	92.4	Very high	95.3	Very high	12 Å²	12	39.1 Å²	39.1	12%	0.124	19%	0.185	C	C	.	.			trans	99.1	146	179	0	0	0	0	0	113.2	R249 L266 Q267	R249-G269 VanDerWaalsContact CZ-C 3.5Å; R249-G269 PolarHBondContact NE-O 3.17Å; R249-G269 PolarHBondContact NH1-O 3.06Å; R249-G269 VanDerWaalsContact NH1-O 3.12Å; L266-G269 WeakPolarHBondContact O-CA 3.3Å; L266-G269 PolarHBondContact O-N 3.5Å; Q267-G269 PolarHBondContact O-N 3.46Å
270	A	96.3	Very high	95.5	Very high	3 Å²	3	34.7 Å²	34.7	3%	0.025	17%	0.166	C	C	.	.			trans	-152.7	129.3	179	0	0	0	0	0	111.2	L214 P220 V251 V273	L214-A270 WeakPolarHBondContact CD1-O 3.39Å; P220-A270 VanDerWaalsContact CA-O 3.26Å; P220-A270 WeakPolarHBondContact CA-O 3.14Å; P220-A270 WeakPolarHBondContact CB-O 3.02Å; V251-A270 HydrophobicContact CB-CB 3.97Å; V251-A270 HydrophobicContact CG2-CB 3.54Å; A270-V273 HydrophobicContact CB-CG2 4.16Å
271	E	98.1	Very high	95.6	Very high	20 Å²	20	26.7 Å²	26.7	9%	0.093	14%	0.135	C	C	.	.	S	Bend	trans	-77.4	-28.7	-179.2	-59.8	69.7	-137.9	0	0	111.3	I208 L214 I221 C222 L248 R249	I208-E271 HydrophobicContact CG2-CB 3.99Å; I208-E271 HydrophobicContact CG2-CG 4.39Å; L214-E271 HydrophobicContact CD1-CB 4.44Å; L214-E271 HydrophobicContact CD1-CG 3.85Å; L214-E271 HydrophobicContact CG-CG 4.25Å; I221-E271 PolarHBondContact N-O 3.46Å; C222-E271 PolarHBondContact N-O 3.48Å; L248-E271 HydrophobicContact CD2-CB 4.31Å; L248-E271 HydrophobicContact CD2-CG 4.24Å; R249-E271 WeakPolarHBondContact CA-OE2 3.43Å; R249-E271 WeakPolarHBondContact CB-OE2 3.27Å; R249-E271 IonicContact CZ-OE1 3.44Å; R249-E271 PolarHBondContact N-OE2 2.96Å; R249-E271 IonicContact NE-OE1 2.75Å; R249-E271 PolarHBondContact NE-OE1 3.27Å; R249-E271 VanDerWaalsContact NE-OE1 3.08Å; R249-E271 IonicContact NE-OE2 3.11Å; R249-E271 PolarHBondContact NE-OE2 3.3Å; R249-E271 IonicContact NH2-OE1 2.68Å; R249-E271 PolarHBondContact NH2-OE1 2.99Å; R249-E271 PolarHBondContact O-N 2.91Å; R249-E271 VanDerWaalsContact O-N 3.13Å
272	I	98.5	Very high	95.6	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126	173.5	-50.7	179.6	0	0	0	111	L205 I208 C222 I224 A239 R249 V250 V251 V274	L205-I272 HydrophobicContact CD2-CD1 4.46Å; I208-I272 HydrophobicContact CD1-CD1 3.88Å; I208-I272 HydrophobicContact CD1-CG1 3.44Å; I208-I272 VanDerWaalsContact CD1-CG1 3.44Å; C222-I272 HydrophobicContact CB-CG1 4.18Å; C222-I272 HydrophobicContact CB-CG2 4.41Å; C222-I272 WeakPolarHBondContact O-CA 3.14Å; I224-I272 HydrophobicContact CD1-CG2 4.09Å; A239-I272 HydrophobicContact CB-CG2 4.44Å; R249-I272 PolarHBondContact O-N 3.26Å; V250-I272 WeakPolarHBondContact CA-O 3.21Å; V250-I272 HydrophobicContact CB-CB 4.47Å; V250-I272 HydrophobicContact CG1-CB 4.11Å; V250-I272 HydrophobicContact CG1-CG2 4.12Å; V250-I272 HydrophobicContact CG2-CB 4.18Å; V250-I272 HydrophobicContact CG2-CD1 4.2Å; V251-I272 PolarHBondContact N-O 3.05Å; I272-V274 HydrophobicContact CG2-CG2 4.23Å
273	V	98.5	Very high	95.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.6	170.2	170.9	0	0	0	0	110.7	P220 C222 L223 I224 V251 L266 A270 C275 L280	P220-V273 HydrophobicContact CB-CB 4.17Å; P220-V273 HydrophobicContact CB-CG2 3.73Å; P220-V273 HydrophobicContact CG-CB 4.07Å; P220-V273 HydrophobicContact CG-CG2 3.78Å; C222-V273 PolarHBondContact O-N 3.12Å; L223-V273 HydrophobicContact CD1-CB 4Å; L223-V273 HydrophobicContact CD1-CG1 3.84Å; I224-V273 PolarHBondContact N-O 3.41Å; V251-V273 HydrophobicContact CB-CG2 4.45Å; L266-V273 HydrophobicContact CD2-CG1 4.48Å; L266-V273 HydrophobicContact CD2-CG2 3.52Å; A270-V273 HydrophobicContact CB-CG2 4.16Å; V273-C275 HydrophobicContact CG1-CB 4.19Å; V273-L280 HydrophobicContact CG1-CD1 4.43Å
274	V	98.5	Very high	95.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	118.1	175	-173.5	0	0	0	0	109	I224 A232 V235 V250 V251 C252 A253 I272	I224-V274 HydrophobicContact CB-CG2 4.33Å; I224-V274 HydrophobicContact CD1-CG2 4.33Å; I224-V274 CarbonylContact O-C 3.6Å; I224-V274 WeakPolarHBondContact O-CA 3.43Å; A232-V274 HydrophobicContact CB-CG1 4.3Å; A232-V274 WeakPolarHBondContact O-CG1 3.12Å; V235-V274 HydrophobicContact CB-CG1 3.92Å; V235-V274 HydrophobicContact CG1-CG1 3.98Å; V235-V274 HydrophobicContact CG1-CG2 4.26Å; V250-V274 HydrophobicContact CG1-CG2 4.26Å; V251-V274 PolarHBondContact O-N 2.68Å; C252-V274 CarbonylContact C-O 3.59Å; C252-V274 VanDerWaalsContact CA-O 3.29Å; C252-V274 WeakPolarHBondContact CA-O 3.25Å; A253-V274 PolarHBondContact N-O 3.02Å; I272-V274 HydrophobicContact CG2-CG2 4.23Å
275	C	97.7	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.5	-165.1	69.2	0	0	0	0	115.6	I224 V225 V226 A253 V273 L280	I224-C275 PolarHBondContact O-N 2.65Å; V225-C275 WeakPolarHBondContact CA-O 3.5Å; V226-C275 WeakPolarHBondContact CG2-O 2.99Å; V226-C275 PolarHBondContact N-O 2.93Å; A253-C275 HydrophobicContact CB-CB 3.91Å; A253-C275 CarbonylContact O-C 3.52Å; A253-C275 WeakPolarHBondContact O-CA 3.5Å; A253-C275 WeakPolarHBondContact O-CB 3.46Å; V273-C275 HydrophobicContact CG1-CB 4.19Å; C275-L280 HydrophobicContact CB-CB 4.16Å; C275-L280 HydrophobicContact CB-CD1 4.35Å
276	T	95.7	Very high	95.5	Very high	15 Å²	15	25.9 Å²	25.9	9%	0.092	14%	0.135	C	C	.	.			trans	-92.8	140.4	162.1	60.6	0	0	0	0	110.5	V226 T228 A253 Y254 G278 R279 L280	V226-T276 WeakPolarHBondContact O-CA 3.48Å; T228-T276 VanDerWaalsContact C-CG2 3.45Å; A253-T276 PolarHBondContact O-N 3.11Å; Y254-T276 WeakPolarHBondContact CA-OG1 3.23Å; T276-G278 PolarHBondContact O-N 2.86Å; T276-G278 VanDerWaalsContact O-N 3.14Å; T276-R279 PolarHBondContact O-N 3.34Å; T276-L280 PolarHBondContact O-N 2.88Å
277	P	94.8	Very high	95.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-48.4	-47.4	-171.7	-28.9	29.7	0	0	0	115.6	V225 V226 L280 I281 M305 F310 Q313 V314 I317	V225-P277 HydrophobicContact CG1-CB 4.43Å; V225-P277 HydrophobicContact CG1-CG 3.66Å; V226-P277 VanDerWaalsContact O-CD 3.29Å; V226-P277 WeakPolarHBondContact O-CD 3.42Å; P277-L280 PolarHBondContact O-N 3.38Å; P277-I281 WeakPolarHBondContact O-CG1 3.32Å; P277-I281 PolarHBondContact O-N 2.98Å; P277-M305 HydrophobicContact CG-SD 3.98Å; P277-F310 HydrophobicContact CB-CB 4.42Å; P277-F310 HydrophobicContact CB-CD1 4.34Å; P277-F310 HydrophobicContact CB-CG 4.34Å; P277-F310 HydrophobicContact CG-CB 4.14Å; P277-F310 HydrophobicContact CG-CD2 4.23Å; P277-F310 HydrophobicContact CG-CG 4.08Å; P277-Q313 HydrophobicContact CB-CB 3.77Å; P277-V314 HydrophobicContact CG-CG2 4.38Å; P277-I317 HydrophobicContact CB-CD1 3.98Å
278	G	93.6	Very high	95.4	Very high	6 Å²	6	30.9 Å²	30.9	6%	0.062	15%	0.15	C	C	.	.	H	α-helix	trans	-59.9	-57.1	-178.5	0	0	0	0	0	113	I90 T276 L280 I281 D282	I90-G278 VanDerWaalsContact CD1-CA 3.44Å; T276-G278 PolarHBondContact O-N 2.86Å; T276-G278 VanDerWaalsContact O-N 3.14Å; G278-L280 VanDerWaalsContact C-N 3.26Å; G278-L280 PolarHBondContact O-N 2.75Å; G278-I281 WeakPolarHBondContact O-CB 3.12Å; G278-I281 PolarHBondContact O-N 3.13Å; G278-D282 VanDerWaalsContact O-CG 3.27Å; G278-D282 PolarHBondContact O-N 2.75Å
279	R	94.6	Very high	95.5	Very high	31 Å²	31	25.9 Å²	25.9	12%	0.117	13%	0.127	C	C	.	.	H	α-helix	trans	-62	-30.8	-178.5	180	56.5	68	91.2	-8.3	113.2	A253 Y254 G257 Q262 T276 D282 L283	A253-R279 HydrophobicContact CB-CG 4.41Å; Y254-R279 PolarHBondContact O-NH1 3.5Å; Y254-R279 VanDerWaalsContact O-NH1 3.08Å; G257-R279 PolarHBondContact O-NH1 3.17Å; G257-R279 PolarHBondContact O-NH2 3.25Å; Q262-R279 VanDerWaalsContact CD-NH1 3.31Å; T276-R279 PolarHBondContact O-N 3.34Å; R279-D282 WeakPolarHBondContact CA-OD2 3.33Å; R279-D282 IonicContact NE-OD2 3.17Å; R279-L283 HydrophobicContact CG-CD1 3.76Å; R279-L283 HydrophobicContact CG-CG 4.37Å; R279-L283 WeakPolarHBondContact O-CB 3.48Å; R279-L283 WeakPolarHBondContact O-CD1 3.44Å; R279-L283 VanDerWaalsContact O-CG 3.24Å; R279-L283 WeakPolarHBondContact O-CG 3.25Å; R279-L283 PolarHBondContact O-N 2.88Å; R279-L283 VanDerWaalsContact O-N 3.09Å
280	L	96.8	Very high	95.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.1	-46.9	172	-176.1	72.8	0	0	0	111.1	L223 V273 C275 T276 P277 G278 D282 L283 V284 L291 I317	L223-L280 HydrophobicContact CD1-CD1 3.94Å; L223-L280 HydrophobicContact CD1-CD2 3.99Å; L223-L280 HydrophobicContact CD2-CD2 3.66Å; L223-L280 HydrophobicContact CG-CD2 4.38Å; V273-L280 HydrophobicContact CG1-CD1 4.43Å; C275-L280 HydrophobicContact CB-CB 4.16Å; C275-L280 HydrophobicContact CB-CD1 4.35Å; T276-L280 PolarHBondContact O-N 2.88Å; P277-L280 PolarHBondContact O-N 3.38Å; G278-L280 VanDerWaalsContact C-N 3.26Å; G278-L280 PolarHBondContact O-N 2.75Å; L280-D282 VanDerWaalsContact C-N 3.32Å; L280-D282 PolarHBondContact O-N 3.26Å; L280-L283 PolarHBondContact O-N 3.49Å; L280-V284 HydrophobicContact CD1-CG2 4.45Å; L280-V284 HydrophobicContact CG-CG2 4.41Å; L280-V284 WeakPolarHBondContact O-CG2 3.34Å; L280-V284 PolarHBondContact O-N 3.25Å; L280-L291 HydrophobicContact CD1-CD2 4.42Å; L280-L291 HydrophobicContact CD2-CD1 4.49Å; L280-I317 HydrophobicContact CD2-CD1 3.92Å; L280-I317 HydrophobicContact CD2-CG1 4.04Å; L280-I317 HydrophobicContact CD2-CG2 3.92Å
281	I	95.4	Very high	95.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-42.3	179.2	-65.6	172.6	0	0	0	110.5	I90 D91 L93 P277 G278 L283 K285 Q313 I317	I90-I281 HydrophobicContact CG2-CB 4.01Å; I90-I281 HydrophobicContact CG2-CG2 3.75Å; D91-I281 WeakPolarHBondContact O-CG2 3.39Å; L93-I281 HydrophobicContact CD1-CG1 4.26Å; L93-I281 HydrophobicContact CD2-CB 4.39Å; L93-I281 HydrophobicContact CD2-CG2 3.9Å; L93-I281 HydrophobicContact CG-CB 4.39Å; L93-I281 HydrophobicContact CG-CG1 4.02Å; L93-I281 HydrophobicContact CG-CG2 4.03Å; P277-I281 WeakPolarHBondContact O-CG1 3.32Å; P277-I281 PolarHBondContact O-N 2.98Å; G278-I281 WeakPolarHBondContact O-CB 3.12Å; G278-I281 PolarHBondContact O-N 3.13Å; I281-L283 VanDerWaalsContact C-N 3.33Å; I281-L283 PolarHBondContact O-N 3.09Å; I281-K285 HydrophobicContact CG2-CD 4.04Å; I281-K285 HydrophobicContact CG2-CG 4.48Å; I281-K285 WeakPolarHBondContact O-CB 3.17Å; I281-K285 WeakPolarHBondContact O-CG 3.29Å; I281-K285 PolarHBondContact O-N 3.45Å; I281-Q313 HydrophobicContact CD1-CB 3.63Å; I281-Q313 HydrophobicContact CD1-CG 3.57Å; I281-I317 HydrophobicContact CD1-CD1 4.34Å; I281-I317 HydrophobicContact CD1-CG1 4.27Å; I281-I317 HydrophobicContact CG1-CD1 4.27Å; I281-I317 HydrophobicContact CG1-CG1 4.07Å
282	D	94.5	Very high	95.5	Very high	55 Å²	55	31.5 Å²	31.5	29%	0.294	15%	0.151	S	C	.	.	H	α-helix	trans	-58	-43.9	175.4	-54.3	-27.5	0	0	0	111.9	G278 R279 L280 A286	G278-D282 VanDerWaalsContact O-CG 3.27Å; G278-D282 PolarHBondContact O-N 2.75Å; R279-D282 WeakPolarHBondContact CA-OD2 3.33Å; R279-D282 IonicContact NE-OD2 3.17Å; L280-D282 VanDerWaalsContact C-N 3.32Å; L280-D282 PolarHBondContact O-N 3.26Å; D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.4Å; D282-A286 PolarHBondContact O-N 3.38Å
283	L	95.4	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-74.7	-37.9	-176.5	-71.9	165.2	0	0	0	112.6	A253 K259 Q262 T263 L266 R279 L280 I281 A286 R287 A288	A253-L283 HydrophobicContact CB-CD1 3.77Å; K259-L283 HydrophobicContact CG-CD2 4.46Å; Q262-L283 HydrophobicContact CB-CD1 4.2Å; Q262-L283 HydrophobicContact CB-CD2 4.49Å; T263-L283 WeakPolarHBondContact OG1-CD2 3.5Å; L266-L283 HydrophobicContact CD1-CB 4.13Å; L266-L283 HydrophobicContact CD1-CD1 3.77Å; L266-L283 HydrophobicContact CD1-CD2 4.43Å; L266-L283 HydrophobicContact CD1-CG 4.34Å; R279-L283 HydrophobicContact CG-CD1 3.76Å; R279-L283 HydrophobicContact CG-CG 4.37Å; R279-L283 WeakPolarHBondContact O-CB 3.48Å; R279-L283 WeakPolarHBondContact O-CD1 3.44Å; R279-L283 VanDerWaalsContact O-CG 3.24Å; R279-L283 WeakPolarHBondContact O-CG 3.25Å; R279-L283 PolarHBondContact O-N 2.88Å; R279-L283 VanDerWaalsContact O-N 3.09Å; L280-L283 PolarHBondContact O-N 3.49Å; I281-L283 VanDerWaalsContact C-N 3.33Å; I281-L283 PolarHBondContact O-N 3.09Å; L283-A286 CarbonylContact O-C 3.56Å; L283-A286 PolarHBondContact O-N 3.46Å; L283-R287 PolarHBondContact O-N 3.47Å; L283-A288 HydrophobicContact CB-CB 4.18Å; L283-A288 HydrophobicContact CD2-CB 3.91Å; L283-A288 WeakPolarHBondContact O-CB 3.41Å; L283-A288 PolarHBondContact O-N 3.03Å
284	V	95.7	Very high	95.4	Very high	16 Å²	16	31.9 Å²	31.9	10%	0.097	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-41.4	172.9	174.6	0	0	0	0	110.5	L93 L280 A286 R287 T289 L291	L93-V284 HydrophobicContact CD1-CG1 4.33Å; L93-V284 HydrophobicContact CD2-CB 3.88Å; L93-V284 HydrophobicContact CD2-CG1 3.7Å; L280-V284 HydrophobicContact CD1-CG2 4.45Å; L280-V284 HydrophobicContact CG-CG2 4.41Å; L280-V284 WeakPolarHBondContact O-CG2 3.34Å; L280-V284 PolarHBondContact O-N 3.25Å; V284-A286 VanDerWaalsContact C-N 3.35Å; V284-A286 PolarHBondContact O-N 2.56Å; V284-R287 PolarHBondContact O-N 2.82Å; V284-T289 HydrophobicContact CG2-CG2 3.82Å; V284-L291 HydrophobicContact CG2-CD1 4.35Å; V284-L291 HydrophobicContact CG2-CD2 4.07Å; V284-L291 HydrophobicContact CG2-CG 4.01Å
285	K	93.6	Very high	95.3	Very high	93 Å²	93	32 Å²	32	40%	0.404	15%	0.153	S	C	.	.	H	α-helix	trans	-62.1	-40.4	174.1	-76.9	-178.6	172.6	-178.3	0	112.7	D91 P92 L93 I281 R287	D91-K285 VanDerWaalsContact C-NZ 3.33Å; D91-K285 PolarHBondContact O-NZ 3.43Å; P92-K285 WeakPolarHBondContact O-CE 3.3Å; P92-K285 PolarHBondContact O-NZ 2.72Å; L93-K285 HydrophobicContact CD2-CG 3.97Å; I281-K285 HydrophobicContact CG2-CD 4.04Å; I281-K285 HydrophobicContact CG2-CG 4.48Å; I281-K285 WeakPolarHBondContact O-CB 3.17Å; I281-K285 WeakPolarHBondContact O-CG 3.29Å; I281-K285 PolarHBondContact O-N 3.45Å; K285-R287 PolarHBondContact O-N 3.01Å
286	A	92.2	Very high	95.4	Very high	45 Å²	45	32 Å²	32	37%	0.372	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	4.3	173.7	0	0	0	0	0	114.2	D282 L283 V284 A288	D282-A286 VanDerWaalsContact O-CB 3.29Å; D282-A286 WeakPolarHBondContact O-CB 3.4Å; D282-A286 PolarHBondContact O-N 3.38Å; L283-A286 CarbonylContact O-C 3.56Å; L283-A286 PolarHBondContact O-N 3.46Å; V284-A286 VanDerWaalsContact C-N 3.35Å; V284-A286 PolarHBondContact O-N 2.56Å; A286-A288 PolarHBondContact O-N 2.88Å; A286-A288 VanDerWaalsContact O-N 3.13Å
287	R	93.4	Very high	95.5	Very high	224 Å²	224	31.2 Å²	31.2	85%	0.845	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	27.7	-176.7	-53.5	-178.1	-178.4	-175.4	-0.6	113.9	L283 V284 K285 T289	L283-R287 PolarHBondContact O-N 3.47Å; V284-R287 PolarHBondContact O-N 2.82Å; K285-R287 PolarHBondContact O-N 3.01Å; R287-T289 VanDerWaalsContact C-N 3.25Å
288	A	94	Very high	95.7	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.033	15%	0.149	C	C	.	.	S	Bend	trans	-71.8	-24.3	172	0	0	0	0	0	112	T263 L266 L283 A286	T263-A288 HydrophobicContact CG2-CB 3.77Å; L266-A288 WeakPolarHBondContact CB-O 3.49Å; L266-A288 HydrophobicContact CD1-CB 4.49Å; L283-A288 HydrophobicContact CB-CB 4.18Å; L283-A288 HydrophobicContact CD2-CB 3.91Å; L283-A288 WeakPolarHBondContact O-CB 3.41Å; L283-A288 PolarHBondContact O-N 3.03Å; A286-A288 PolarHBondContact O-N 2.88Å; A286-A288 VanDerWaalsContact O-N 3.13Å
289	T	96	Very high	95.9	Very high	17 Å²	17	31 Å²	31	10%	0.104	15%	0.146	C	C	.	.			trans	-156.1	168.6	172	-160.6	0	0	0	0	109.9	L266 V284 R287	L266-T289 HydrophobicContact CD1-CG2 4.04Å; V284-T289 HydrophobicContact CG2-CG2 3.82Å; R287-T289 VanDerWaalsContact C-N 3.25Å
290	N	95.2	Very high	95.9	Very high	41 Å²	41	29.7 Å²	29.7	22%	0.219	14%	0.141	C	C	.	.			trans	-122.5	173.5	169.1	62.5	70.7	0	0	0	109.4	N217 G219 P220 E292	N217-N290 PolarHBondContact O-ND2 3.5Å; G219-N290 WeakPolarHBondContact CA-O 3.23Å; G219-N290 WeakPolarHBondContact CA-OD1 3.3Å; G219-N290 PolarHBondContact N-ND2 3.22Å; G219-N290 PolarHBondContact N-OD1 3.09Å; G219-N290 VanDerWaalsContact N-OD1 3.14Å; P220-N290 WeakPolarHBondContact CD-O 3.46Å; N290-E292 PolarHBondContact OD1-N 3.06Å
291	L	96.6	Very high	95.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	-117.9	15.6	-180	-54.2	-177.4	0	0	0	113.3	L93 L223 L280 V284 R293 V294 I317 I321	L93-L291 HydrophobicContact CD1-CD1 4.26Å; L223-L291 HydrophobicContact CD2-CD2 4.19Å; L280-L291 HydrophobicContact CD1-CD2 4.42Å; L280-L291 HydrophobicContact CD2-CD1 4.49Å; V284-L291 HydrophobicContact CG2-CD1 4.35Å; V284-L291 HydrophobicContact CG2-CD2 4.07Å; V284-L291 HydrophobicContact CG2-CG 4.01Å; L291-R293 VanDerWaalsContact C-N 3.34Å; L291-R293 PolarHBondContact O-N 3.28Å; L291-V294 HydrophobicContact CB-CG2 4.15Å; L291-V294 HydrophobicContact CD2-CG2 4.15Å; L291-V294 PolarHBondContact O-N 3.22Å; L291-I317 HydrophobicContact CD1-CG2 4.43Å; L291-I321 HydrophobicContact CB-CG1 3.83Å; L291-I321 HydrophobicContact CD1-CD1 4.3Å; L291-I321 HydrophobicContact CD1-CG1 3.93Å; L291-I321 HydrophobicContact CG-CG1 4.48Å
292	E	95	Very high	95.4	Very high	111 Å²	111	30.4 Å²	30.4	52%	0.519	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-34.6	-172.5	-65.7	170.7	-169.1	0	0	112.3	N290	N290-E292 PolarHBondContact OD1-N 3.06Å
293	R	95.9	Very high	95.1	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.038	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.4	177.3	-79.3	-82.3	-67.4	-177.9	-2.8	114.7	E104 R212 L214 E218 G219 P220 L291 T295	E104-R293 WeakPolarHBondContact OE1-CD 3.46Å; E104-R293 IonicContact OE1-CZ 2.93Å; E104-R293 IonicContact OE1-NE 2.86Å; E104-R293 IonicContact OE1-NH1 3.91Å; E104-R293 PolarHBondContact OE1-NH1 3.27Å; E104-R293 IonicContact OE2-NH1 3.68Å; R212-R293 VanDerWaalsContact CZ-NH1 3.3Å; R212-R293 PolarHBondContact O-NH2 3.03Å; L214-R293 HydrophobicContact CD2-CG 4.49Å; E218-R293 HydrophobicContact CB-CG 4.23Å; E218-R293 HydrophobicContact CG-CG 4.49Å; E218-R293 IonicContact OE2-NE 3.34Å; G219-R293 WeakPolarHBondContact O-CB 3.4Å; P220-R293 CarbonylContact O-C 3.6Å; P220-R293 VanDerWaalsContact O-C 3.22Å; L291-R293 VanDerWaalsContact C-N 3.34Å; L291-R293 PolarHBondContact O-N 3.28Å; R293-T295 PolarHBondContact O-N 3.5Å
294	V	97.9	Very high	94.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.			trans	-72.7	99	-176.3	179.2	0	0	0	0	110.2	P220 I221 L223 L291 L297 I321	P220-V294 HydrophobicContact CG-CG2 4Å; P220-V294 WeakPolarHBondContact O-CA 3.36Å; P220-V294 WeakPolarHBondContact O-CG2 3.36Å; P220-V294 PolarHBondContact O-N 2.79Å; I221-V294 WeakPolarHBondContact O-CA 3.48Å; L223-V294 HydrophobicContact CB-CG1 3.74Å; L223-V294 HydrophobicContact CB-CG2 4.15Å; L291-V294 HydrophobicContact CB-CG2 4.15Å; L291-V294 HydrophobicContact CD2-CG2 4.15Å; L291-V294 PolarHBondContact O-N 3.22Å; V294-L297 HydrophobicContact CG1-CB 4.49Å; V294-I321 HydrophobicContact CB-CD1 4.48Å; V294-I321 HydrophobicContact CB-CG1 4.27Å; V294-I321 HydrophobicContact CB-CG2 3.78Å; V294-I321 HydrophobicContact CG1-CD1 4.06Å; V294-I321 HydrophobicContact CG1-CG1 4.37Å; V294-I321 HydrophobicContact CG1-CG2 3.9Å; V294-I321 WeakPolarHBondContact O-CG2 3.37Å
295	T	98.1	Very high	94.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.128	C	C	.	.			trans	-98.1	-12.7	175.8	52.4	0	0	0	0	112.6	F106 H207 Q211 I221 R293 R325 Q326	F106-T295 HydrophobicContact CB-CG2 4.16Å; F106-T295 HydrophobicContact CD1-CG2 3.58Å; F106-T295 HydrophobicContact CD2-CG2 3.8Å; F106-T295 HydrophobicContact CE1-CG2 3.85Å; F106-T295 HydrophobicContact CE2-CG2 4.05Å; F106-T295 HydrophobicContact CG-CG2 3.56Å; F106-T295 HydrophobicContact CZ-CG2 4.08Å; H207-T295 WeakPolarHBondContact NE2-CB 3.39Å; H207-T295 PolarHBondContact NE2-OG1 2.85Å; Q211-T295 VanDerWaalsContact CD-OG1 3.3Å; Q211-T295 PolarHBondContact NE2-OG1 3.33Å; Q211-T295 PolarHBondContact OE1-OG1 3.12Å; I221-T295 PolarHBondContact O-N 2.94Å; I221-T295 VanDerWaalsContact O-N 3.14Å; R293-T295 PolarHBondContact O-N 3.5Å; T295-R325 WeakPolarHBondContact O-CA 3.26Å; T295-Q326 PolarHBondContact O-N 3.22Å
296	Y	98.5	Very high	93.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	114.2	178.6	-167.8	-87.4	0	0	0	111.5	V180 Y200 A204 H207 I221 C222 L223 V298 Q326 L328	V180-Y296 HydrophobicContact CG1-CE2 3.81Å; V180-Y296 WeakPolarHBondContact CG1-OH 3.45Å; Y200-Y296 PolarHBondContact O-OH 2.85Å; A204-Y296 HydrophobicContact CB-CD1 4.09Å; A204-Y296 HydrophobicContact CB-CE1 3.57Å; H207-Y296 HydrophobicContact CB-CD2 4.11Å; H207-Y296 HydrophobicContact CB-CE2 4.5Å; H207-Y296 AromaticContact CG-CD2 3.7Å; H207-Y296 AromaticContact ND1-CD2 3.75Å; I221-Y296 PolarHBondContact O-N 2.87Å; I221-Y296 VanDerWaalsContact O-N 3.15Å; C222-Y296 WeakPolarHBondContact CA-O 3.26Å; C222-Y296 HydrophobicContact CB-CD1 4.44Å; C222-Y296 VanDerWaalsContact SG-CD1 3.55Å; L223-Y296 PolarHBondContact N-O 2.98Å; Y296-V298 HydrophobicContact CD1-CG2 3.88Å; Y296-V298 HydrophobicContact CE1-CG2 3.46Å; Y296-V298 VanDerWaalsContact CE1-CG2 3.46Å; Y296-Q326 HydrophobicContact CD2-CB 4.43Å; Y296-L328 HydrophobicContact CD1-CD1 4.1Å; Y296-L328 HydrophobicContact CD2-CD1 4.04Å; Y296-L328 HydrophobicContact CE1-CD1 3.91Å; Y296-L328 HydrophobicContact CE1-CD2 4.16Å; Y296-L328 HydrophobicContact CE2-CD1 3.81Å; Y296-L328 HydrophobicContact CE2-CD2 4.15Å; Y296-L328 HydrophobicContact CG-CD1 4.21Å; Y296-L328 WeakPolarHBondContact OH-CD2 3.35Å
297	L	98.5	Very high	93.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.9	-173.6	177.6	58.1	0	0	0	111.7	L223 V225 V294 F299 A318 I321 Q326 C327 L328	L223-L297 HydrophobicContact CB-CD1 4.13Å; L223-L297 HydrophobicContact CD2-CD1 3.85Å; L223-L297 HydrophobicContact CG-CD1 4.17Å; V225-L297 HydrophobicContact CG2-CD1 4.21Å; V294-L297 HydrophobicContact CG1-CB 4.49Å; L297-F299 HydrophobicContact CD1-CE2 4.03Å; L297-F299 HydrophobicContact CD1-CZ 4.03Å; L297-F299 HydrophobicContact CD2-CE2 3.52Å; L297-F299 HydrophobicContact CD2-CZ 3.9Å; L297-F299 HydrophobicContact CG-CD2 4.24Å; L297-F299 HydrophobicContact CG-CE2 3.63Å; L297-F299 HydrophobicContact CG-CZ 4.11Å; L297-A318 HydrophobicContact CD2-CB 4.43Å; L297-I321 HydrophobicContact CD1-CD1 3.81Å; L297-I321 HydrophobicContact CD2-CD1 3.62Å; L297-I321 HydrophobicContact CG-CD1 4.25Å; L297-Q326 PolarHBondContact N-O 3.4Å; L297-C327 CarbonylContact O-C 3.59Å; L297-C327 WeakPolarHBondContact O-CA 3.35Å; L297-L328 WeakPolarHBondContact O-CD1 3.11Å; L297-L328 PolarHBondContact O-N 3.09Å
298	V	98.4	Very high	92.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.8	177.4	-173.4	0	0	0	0	111.2	Y200 L223 I224 V225 Y296 D300 L328 F330	Y200-V298 HydrophobicContact CD1-CG1 3.87Å; Y200-V298 HydrophobicContact CD2-CG1 3.97Å; Y200-V298 HydrophobicContact CD2-CG2 4.14Å; Y200-V298 HydrophobicContact CE1-CG1 4.03Å; Y200-V298 HydrophobicContact CE2-CG1 4.17Å; Y200-V298 HydrophobicContact CG-CG1 3.82Å; Y200-V298 HydrophobicContact CG-CG2 4.24Å; L223-V298 PolarHBondContact O-N 3.35Å; I224-V298 HydrophobicContact CB-CB 4.38Å; I224-V298 HydrophobicContact CG1-CB 4.18Å; I224-V298 HydrophobicContact CG1-CG2 4.18Å; I224-V298 HydrophobicContact CG2-CB 4.11Å; I224-V298 HydrophobicContact CG2-CG1 4.26Å; V225-V298 PolarHBondContact N-O 3.14Å; Y296-V298 HydrophobicContact CD1-CG2 3.88Å; Y296-V298 HydrophobicContact CE1-CG2 3.46Å; Y296-V298 VanDerWaalsContact CE1-CG2 3.46Å; V298-D300 HydrophobicContact CG1-CB 4.48Å; V298-L328 CarbonylContact C-O 3.59Å; V298-L328 WeakPolarHBondContact CA-O 3.39Å; V298-L328 HydrophobicContact CG1-CB 4.49Å; V298-L328 HydrophobicContact CG2-CB 4.23Å; V298-L328 HydrophobicContact CG2-CD1 4.21Å; V298-L328 HydrophobicContact CG2-CD2 4.33Å; V298-F330 HydrophobicContact CG1-CD2 4.33Å
299	F	97.5	Very high	92.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.2	165.3	-66.9	-76.6	0	0	0	109.4	V225 L297 A302 M305 V314 A318 L328 M329 F330 I345	V225-F299 HydrophobicContact CB-CD1 3.66Å; V225-F299 HydrophobicContact CB-CE1 3.81Å; V225-F299 HydrophobicContact CG1-CD1 4.02Å; V225-F299 HydrophobicContact CG1-CE1 4.02Å; V225-F299 HydrophobicContact CG2-CD1 4.12Å; V225-F299 HydrophobicContact CG2-CE1 3.81Å; L297-F299 HydrophobicContact CD1-CE2 4.03Å; L297-F299 HydrophobicContact CD1-CZ 4.03Å; L297-F299 HydrophobicContact CD2-CE2 3.52Å; L297-F299 HydrophobicContact CD2-CZ 3.9Å; L297-F299 HydrophobicContact CG-CD2 4.24Å; L297-F299 HydrophobicContact CG-CE2 3.63Å; L297-F299 HydrophobicContact CG-CZ 4.11Å; F299-A302 HydrophobicContact CB-CB 4.48Å; F299-M305 HydrophobicContact CB-CE 3.76Å; F299-M305 HydrophobicContact CD1-CE 3.85Å; F299-M305 HydrophobicContact CD1-SD 4.49Å; F299-M305 HydrophobicContact CG-CE 4.3Å; F299-V314 HydrophobicContact CD1-CG1 3.9Å; F299-V314 HydrophobicContact CD1-CG2 4.25Å; F299-V314 HydrophobicContact CE1-CB 4.23Å; F299-V314 HydrophobicContact CE1-CG1 3.68Å; F299-V314 HydrophobicContact CE1-CG2 4.17Å; F299-V314 HydrophobicContact CZ-CG1 4.09Å; F299-A318 HydrophobicContact CE2-CB 4.29Å; F299-A318 HydrophobicContact CZ-CB 4.13Å; F299-L328 PolarHBondContact N-O 3.11Å; F299-M329 HydrophobicContact CB-CG 4.3Å; F299-M329 WeakPolarHBondContact O-CA 3.24Å; F299-F330 PolarHBondContact O-N 2.93Å; F299-I345 HydrophobicContact CD2-CD1 3.72Å; F299-I345 HydrophobicContact CE2-CD1 3.63Å; F299-I345 HydrophobicContact CZ-CD1 4.48Å
300	D	95.5	Very high	92.1	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.027	11%	0.111	C	C	.	.			trans	-105.2	148.2	178.9	-166.2	13.4	0	0	0	112.1	Y200 V225 V226 P227 V298 A302 M305 F330	Y200-D300 HydrophobicContact CE1-CB 3.92Å; Y200-D300 VanDerWaalsContact CE1-OD2 3.26Å; Y200-D300 WeakPolarHBondContact CE1-OD2 3.46Å; Y200-D300 PolarHBondContact OH-OD2 2.86Å; V225-D300 PolarHBondContact O-N 3.17Å; V225-D300 VanDerWaalsContact O-N 3.11Å; V226-D300 HydrophobicContact CG1-CB 4.32Å; P227-D300 WeakPolarHBondContact CD-O 3.33Å; V298-D300 HydrophobicContact CG1-CB 4.48Å; D300-A302 VanDerWaalsContact C-N 3.26Å; D300-A302 PolarHBondContact O-N 2.77Å; D300-M305 WeakPolarHBondContact O-CE 3.06Å; D300-F330 HydrophobicContact CB-CB 4.4Å; D300-F330 WeakPolarHBondContact OD1-CB 3.2Å
301	E	91	Very high	91.8	Very high	14 Å²	14	20.6 Å²	20.6	7%	0.065	11%	0.112	C	C	.	.	S	Bend	trans	45.4	49.2	-161.9	-66	-166.5	160.1	0	0	112.2	P227 L231 D303 R304 M305 F330	P227-E301 HydrophobicContact CG-CB 3.74Å; L231-E301 HydrophobicContact CD2-CB 4.28Å; L231-E301 HydrophobicContact CD2-CG 3.98Å; E301-D303 VanDerWaalsContact C-N 3.31Å; E301-D303 PolarHBondContact O-N 3.45Å; E301-R304 HydrophobicContact CB-CB 4.04Å; E301-R304 WeakPolarHBondContact O-CA 3.4Å; E301-R304 WeakPolarHBondContact O-CB 3.49Å; E301-R304 PolarHBondContact O-N 2.96Å; E301-R304 WeakPolarHBondContact OE2-CD 3.26Å; E301-R304 IonicContact OE2-CZ 2.76Å; E301-R304 IonicContact OE2-NE 3.59Å; E301-R304 IonicContact OE2-NH1 2.68Å; E301-R304 PolarHBondContact OE2-NH1 3.43Å; E301-M305 PolarHBondContact O-N 3Å; E301-M305 VanDerWaalsContact O-N 3.07Å; E301-F330 PolarHBondContact N-O 3.3Å; E301-F330 VanDerWaalsContact N-O 3.15Å
302	A	90.9	Very high	91.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-33.9	-175.9	0	0	0	0	0	114.2	F299 D300 R304 M305 F306 M329 F330 I338	F299-A302 HydrophobicContact CB-CB 4.48Å; D300-A302 VanDerWaalsContact C-N 3.26Å; D300-A302 PolarHBondContact O-N 2.77Å; A302-R304 VanDerWaalsContact C-N 3.34Å; A302-M305 HydrophobicContact CB-CE 4.26Å; A302-M305 PolarHBondContact O-N 3.01Å; A302-F306 PolarHBondContact O-N 2.9Å; A302-M329 HydrophobicContact CB-CG 3.59Å; A302-M329 HydrophobicContact CB-SD 3.95Å; A302-F330 PolarHBondContact N-O 3.43Å; A302-F330 VanDerWaalsContact N-O 3.11Å; A302-I338 VanDerWaalsContact O-CD1 3.3Å; A302-I338 WeakPolarHBondContact O-CD1 3.42Å
303	D	87.3	Confident	91.4	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-60.8	-41	170.9	55.5	-6.5	0	0	0	113	E301 F306 D307 S331 A332 T333 I338 H477	E301-D303 VanDerWaalsContact C-N 3.31Å; E301-D303 PolarHBondContact O-N 3.45Å; D303-F306 PolarHBondContact O-N 3.35Å; D303-D307 PolarHBondContact O-N 3.1Å; D303-S331 WeakPolarHBondContact CB-OG 3.5Å; D303-S331 PolarHBondContact OD1-OG 2.82Å; D303-S331 PolarHBondContact OD2-OG 3.27Å; D303-A332 PolarHBondContact OD2-N 2.95Å; D303-T333 VanDerWaalsContact CB-OG1 3.31Å; D303-T333 WeakPolarHBondContact CB-OG1 3.36Å; D303-T333 WeakPolarHBondContact OD2-CA 3.39Å; D303-T333 WeakPolarHBondContact OD2-CB 3.3Å; D303-T333 PolarHBondContact OD2-N 2.72Å; D303-T333 PolarHBondContact OD2-OG1 2.73Å; D303-I338 HydrophobicContact CB-CG1 4.09Å; D303-H477 IonicContact OD2-CE1 3.6Å
304	R	85.1	Confident	91.3	Very high	7 Å²	7	18 Å²	18	3%	0.026	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-33	176	-176.5	-175.3	166.4	-153.9	-0.8	112.8	P227 T228 E301 A302 F306 D307 L308 R453 G454	P227-R304 HydrophobicContact CB-CB 4.36Å; P227-R304 HydrophobicContact CB-CG 3.95Å; P227-R304 HydrophobicContact CG-CB 4.11Å; P227-R304 HydrophobicContact CG-CG 3.97Å; T228-R304 PolarHBondContact OG1-NH1 2.98Å; T228-R304 PolarHBondContact OG1-NH2 3.42Å; E301-R304 HydrophobicContact CB-CB 4.04Å; E301-R304 WeakPolarHBondContact O-CA 3.4Å; E301-R304 WeakPolarHBondContact O-CB 3.49Å; E301-R304 PolarHBondContact O-N 2.96Å; E301-R304 WeakPolarHBondContact OE2-CD 3.26Å; E301-R304 IonicContact OE2-CZ 2.76Å; E301-R304 IonicContact OE2-NE 3.59Å; E301-R304 IonicContact OE2-NH1 2.68Å; E301-R304 PolarHBondContact OE2-NH1 3.43Å; A302-R304 VanDerWaalsContact C-N 3.34Å; R304-F306 VanDerWaalsContact C-N 3.25Å; R304-F306 PolarHBondContact O-N 3.3Å; R304-D307 CarbonylContact O-C 3.56Å; R304-D307 PolarHBondContact O-N 3.5Å; R304-L308 HydrophobicContact CG-CD1 4.23Å; R304-L308 WeakPolarHBondContact O-CB 3.45Å; R304-L308 WeakPolarHBondContact O-CG 3.4Å; R304-L308 PolarHBondContact O-N 3.21Å; R304-R453 PolarHBondContact NH2-O 2.79Å; R304-G454 VanDerWaalsContact NH1-CA 3.33Å
305	M	88.9	Confident	91.1	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-58.8	-40.1	171.3	-75.6	-169	-85.8	0	0	111.3	V225 P227 P277 F299 D300 E301 A302 L308 G309 F310 V314	V225-M305 HydrophobicContact CG1-SD 3.97Å; P227-M305 HydrophobicContact CB-CG 3.67Å; P227-M305 HydrophobicContact CG-CG 4.15Å; P277-M305 HydrophobicContact CG-SD 3.98Å; F299-M305 HydrophobicContact CB-CE 3.76Å; F299-M305 HydrophobicContact CD1-CE 3.85Å; F299-M305 HydrophobicContact CD1-SD 4.49Å; F299-M305 HydrophobicContact CG-CE 4.3Å; D300-M305 WeakPolarHBondContact O-CE 3.06Å; E301-M305 PolarHBondContact O-N 3Å; E301-M305 VanDerWaalsContact O-N 3.07Å; A302-M305 HydrophobicContact CB-CE 4.26Å; A302-M305 PolarHBondContact O-N 3.01Å; M305-L308 PolarHBondContact O-N 3.47Å; M305-G309 PolarHBondContact O-N 3.08Å; M305-F310 HydrophobicContact CB-CB 4.33Å; M305-F310 PolarHBondContact O-N 3.45Å; M305-V314 HydrophobicContact CB-CG2 4.29Å; M305-V314 HydrophobicContact CE-CG2 4.46Å; M305-V314 HydrophobicContact SD-CG2 3.7Å
306	F	86.4	Confident	90.8	Very high	15 Å²	15	21.7 Å²	21.7	7%	0.066	12%	0.124	C	C	.	.	H	α-helix	trans	-72.5	-39.1	176.1	-85.8	-129.5	0	0	0	112.9	A302 D303 R304 L308 G309 E311 K337 I338 L341	A302-F306 PolarHBondContact O-N 2.9Å; D303-F306 PolarHBondContact O-N 3.35Å; R304-F306 VanDerWaalsContact C-N 3.25Å; R304-F306 PolarHBondContact O-N 3.3Å; F306-L308 PolarHBondContact O-N 3.09Å; F306-G309 PolarHBondContact O-N 3.37Å; F306-E311 HydrophobicContact CD1-CB 4.09Å; F306-E311 HydrophobicContact CD1-CG 4.3Å; F306-E311 HydrophobicContact CD2-CB 4.22Å; F306-E311 HydrophobicContact CE1-CB 3.82Å; F306-E311 HydrophobicContact CE1-CG 3.57Å; F306-E311 WeakPolarHBondContact CE1-OE1 2.8Å; F306-E311 VanDerWaalsContact CE1-OE2 3.3Å; F306-E311 WeakPolarHBondContact CE1-OE2 3.39Å; F306-E311 HydrophobicContact CE2-CB 3.89Å; F306-E311 HydrophobicContact CE2-CG 4.13Å; F306-E311 HydrophobicContact CG-CB 4.3Å; F306-E311 HydrophobicContact CZ-CB 3.68Å; F306-E311 HydrophobicContact CZ-CG 3.44Å; F306-E311 VanDerWaalsContact CZ-CG 3.44Å; F306-K337 HydrophobicContact CD1-CB 3.68Å; F306-K337 HydrophobicContact CD1-CD 3.86Å; F306-K337 HydrophobicContact CD1-CG 4.46Å; F306-K337 HydrophobicContact CE1-CB 3.93Å; F306-K337 HydrophobicContact CE1-CD 4.45Å; F306-I338 HydrophobicContact CB-CD1 3.92Å; F306-I338 HydrophobicContact CD1-CD1 3.79Å; F306-I338 HydrophobicContact CD2-CD1 3.59Å; F306-I338 HydrophobicContact CE1-CD1 4.19Å; F306-I338 HydrophobicContact CE2-CD1 4.06Å; F306-I338 HydrophobicContact CG-CD1 3.47Å; F306-I338 VanDerWaalsContact CG-CD1 3.47Å; F306-I338 HydrophobicContact CZ-CD1 4.33Å; F306-L341 HydrophobicContact CE2-CB 4.49Å; F306-L341 HydrophobicContact CE2-CD1 4.31Å; F306-L341 HydrophobicContact CE2-CD2 3.67Å; F306-L341 HydrophobicContact CE2-CG 4.36Å; F306-L341 HydrophobicContact CZ-CB 3.86Å; F306-L341 HydrophobicContact CZ-CD1 3.98Å; F306-L341 HydrophobicContact CZ-CD2 3.89Å; F306-L341 HydrophobicContact CZ-CG 4.11Å
307	D	82.2	Confident	90.7	Very high	44 Å²	44	21.7 Å²	21.7	24%	0.235	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-3.4	174.5	-78.9	-6.7	0	0	0	113.6	D303 R304 K335 R470	D303-D307 PolarHBondContact O-N 3.1Å; R304-D307 CarbonylContact O-C 3.56Å; R304-D307 PolarHBondContact O-N 3.5Å; D307-K335 IonicContact OD1-NZ 2.75Å; D307-K335 IonicContact OD2-NZ 2.71Å; D307-K335 PolarHBondContact OD2-NZ 3.42Å; D307-R470 IonicContact OD2-NH2 3.21Å
308	L	82.5	Confident	90.6	Very high	64 Å²	64	21.8 Å²	21.8	34%	0.335	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-7.2	168.5	-71.9	170.8	0	0	0	113.5	P227 T228 R304 M305 F306 F310	P227-L308 HydrophobicContact CB-CD1 3.72Å; T228-L308 HydrophobicContact CG2-CD1 4.08Å; R304-L308 HydrophobicContact CG-CD1 4.23Å; R304-L308 WeakPolarHBondContact O-CB 3.45Å; R304-L308 WeakPolarHBondContact O-CG 3.4Å; R304-L308 PolarHBondContact O-N 3.21Å; M305-L308 PolarHBondContact O-N 3.47Å; F306-L308 PolarHBondContact O-N 3.09Å; L308-F310 HydrophobicContact CB-CD2 3.88Å; L308-F310 HydrophobicContact CB-CE2 3.88Å; L308-F310 HydrophobicContact CD1-CD2 4.43Å; L308-F310 HydrophobicContact CD1-CE2 3.99Å
309	G	85.4	Confident	90.3	Very high	51 Å²	51	26.3 Å²	26.3	53%	0.526	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.9	0.7	177.7	0	0	0	0	0	116.2	M305 F306 E311	M305-G309 PolarHBondContact O-N 3.08Å; F306-G309 PolarHBondContact O-N 3.37Å; G309-E311 PolarHBondContact O-N 2.89Å
310	F	88.3	Confident	90.2	Very high	54 Å²	54	27.8 Å²	27.8	24%	0.237	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	17.3	-176.3	-61.1	-54.5	0	0	0	115.3	P227 P277 M305 L308 A312 Q313 V314	P227-F310 WeakPolarHBondContact O-CE2 3.33Å; P277-F310 HydrophobicContact CB-CB 4.42Å; P277-F310 HydrophobicContact CB-CD1 4.34Å; P277-F310 HydrophobicContact CB-CG 4.34Å; P277-F310 HydrophobicContact CG-CB 4.14Å; P277-F310 HydrophobicContact CG-CD2 4.23Å; P277-F310 HydrophobicContact CG-CG 4.08Å; M305-F310 HydrophobicContact CB-CB 4.33Å; M305-F310 PolarHBondContact O-N 3.45Å; L308-F310 HydrophobicContact CB-CD2 3.88Å; L308-F310 HydrophobicContact CB-CE2 3.88Å; L308-F310 HydrophobicContact CD1-CD2 4.43Å; L308-F310 HydrophobicContact CD1-CE2 3.99Å; F310-A312 VanDerWaalsContact C-N 3.31Å; F310-A312 PolarHBondContact O-N 3.47Å; F310-Q313 PolarHBondContact O-N 3.33Å; F310-V314 HydrophobicContact CB-CG2 4.4Å; F310-V314 WeakPolarHBondContact O-CB 3.48Å; F310-V314 WeakPolarHBondContact O-CG2 3.46Å; F310-V314 PolarHBondContact O-N 3.44Å
311	E	89.1	Confident	90.3	Very high	51 Å²	51	27.6 Å²	27.6	24%	0.238	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-40.9	-178.5	170.4	160.2	-160.8	0	0	112	F306 G309 R315 K337	F306-E311 HydrophobicContact CD1-CB 4.09Å; F306-E311 HydrophobicContact CD1-CG 4.3Å; F306-E311 HydrophobicContact CD2-CB 4.22Å; F306-E311 HydrophobicContact CE1-CB 3.82Å; F306-E311 HydrophobicContact CE1-CG 3.57Å; F306-E311 WeakPolarHBondContact CE1-OE1 2.8Å; F306-E311 VanDerWaalsContact CE1-OE2 3.3Å; F306-E311 WeakPolarHBondContact CE1-OE2 3.39Å; F306-E311 HydrophobicContact CE2-CB 3.89Å; F306-E311 HydrophobicContact CE2-CG 4.13Å; F306-E311 HydrophobicContact CG-CB 4.3Å; F306-E311 HydrophobicContact CZ-CB 3.68Å; F306-E311 HydrophobicContact CZ-CG 3.44Å; F306-E311 VanDerWaalsContact CZ-CG 3.44Å; G309-E311 PolarHBondContact O-N 2.89Å; E311-R315 WeakPolarHBondContact O-CB 3.32Å; E311-R315 WeakPolarHBondContact O-CD 3.45Å; E311-R315 WeakPolarHBondContact O-CG 3.09Å; E311-R315 PolarHBondContact O-N 2.96Å; E311-R315 IonicContact OE1-CZ 3.69Å; E311-R315 IonicContact OE1-NE 3.13Å; E311-R315 PolarHBondContact OE1-NE 3.47Å; E311-R315 IonicContact OE1-NH2 2.7Å; E311-R315 PolarHBondContact OE1-NH2 3.17Å; E311-K337 IonicContact OE2-NZ 3.8Å
312	A	90.4	Very high	90.5	Very high	46 Å²	46	27 Å²	27	38%	0.38	15%	0.152	S	C	.	.	H	α-helix	trans	-68.7	-43.9	178.4	0	0	0	0	0	112.1	F310 R315 S316	F310-A312 VanDerWaalsContact C-N 3.31Å; F310-A312 PolarHBondContact O-N 3.47Å; A312-R315 PolarHBondContact O-N 3.31Å; A312-S316 VanDerWaalsContact O-CB 3.28Å; A312-S316 WeakPolarHBondContact O-CB 3.36Å; A312-S316 PolarHBondContact O-N 2.93Å
313	Q	92.4	Very high	90.7	Very high	21 Å²	21	31.2 Å²	31.2	10%	0.098	18%	0.179	C	C	.	.	H	α-helix	trans	-66.4	-43.9	179.8	-68.7	76.3	13.9	0	0	111.6	I90 P277 I281 F310 R315 S316 I317	I90-Q313 PolarHBondContact O-NE2 2.92Å; I90-Q313 VanDerWaalsContact O-NE2 3.17Å; P277-Q313 HydrophobicContact CB-CB 3.77Å; I281-Q313 HydrophobicContact CD1-CB 3.63Å; I281-Q313 HydrophobicContact CD1-CG 3.57Å; F310-Q313 PolarHBondContact O-N 3.33Å; Q313-R315 PolarHBondContact O-N 3.38Å; Q313-S316 PolarHBondContact O-N 2.98Å; Q313-I317 WeakPolarHBondContact O-CD1 3.29Å; Q313-I317 VanDerWaalsContact O-CG1 3.26Å; Q313-I317 WeakPolarHBondContact O-CG1 3.48Å; Q313-I317 PolarHBondContact O-N 3.38Å
314	V	93.2	Very high	91.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60.1	-45.5	176.2	164	0	0	0	0	111.6	P277 F299 M305 F310 A318 L341	P277-V314 HydrophobicContact CG-CG2 4.38Å; F299-V314 HydrophobicContact CD1-CG1 3.9Å; F299-V314 HydrophobicContact CD1-CG2 4.25Å; F299-V314 HydrophobicContact CE1-CB 4.23Å; F299-V314 HydrophobicContact CE1-CG1 3.68Å; F299-V314 HydrophobicContact CE1-CG2 4.17Å; F299-V314 HydrophobicContact CZ-CG1 4.09Å; M305-V314 HydrophobicContact CB-CG2 4.29Å; M305-V314 HydrophobicContact CE-CG2 4.46Å; M305-V314 HydrophobicContact SD-CG2 3.7Å; F310-V314 HydrophobicContact CB-CG2 4.4Å; F310-V314 WeakPolarHBondContact O-CB 3.48Å; F310-V314 WeakPolarHBondContact O-CG2 3.46Å; F310-V314 PolarHBondContact O-N 3.44Å; V314-A318 WeakPolarHBondContact O-CB 3.35Å; V314-A318 PolarHBondContact O-N 2.93Å; V314-A318 VanDerWaalsContact O-N 3.1Å; V314-L341 HydrophobicContact CG1-CD1 4Å; V314-L341 HydrophobicContact CG1-CD2 3.84Å
315	R	92.7	Very high	91.7	Very high	67 Å²	67	35 Å²	35	25%	0.253	20%	0.198	S	C	.	.	H	α-helix	trans	-62.6	-42.9	174.1	-71.5	170.3	178.1	-71.9	-2.4	112	E311 A312 Q313 A318 N319 L341 D344	E311-R315 WeakPolarHBondContact O-CB 3.32Å; E311-R315 WeakPolarHBondContact O-CD 3.45Å; E311-R315 WeakPolarHBondContact O-CG 3.09Å; E311-R315 PolarHBondContact O-N 2.96Å; E311-R315 IonicContact OE1-CZ 3.69Å; E311-R315 IonicContact OE1-NE 3.13Å; E311-R315 PolarHBondContact OE1-NE 3.47Å; E311-R315 IonicContact OE1-NH2 2.7Å; E311-R315 PolarHBondContact OE1-NH2 3.17Å; A312-R315 PolarHBondContact O-N 3.31Å; Q313-R315 PolarHBondContact O-N 3.38Å; R315-A318 PolarHBondContact O-N 2.88Å; R315-N319 VanDerWaalsContact O-CB 3.3Å; R315-N319 WeakPolarHBondContact O-CB 3.41Å; R315-N319 PolarHBondContact O-N 3.4Å; R315-N319 PolarHBondContact O-OD1 3.14Å; R315-L341 HydrophobicContact CG-CD1 3.88Å; R315-D344 IonicContact CZ-OD2 3.79Å; R315-D344 VanDerWaalsContact CZ-OD2 3.23Å; R315-D344 IonicContact NH1-OD2 3.62Å; R315-D344 PolarHBondContact NH1-OD2 3.3Å; R315-D344 IonicContact NH2-OD2 2.75Å; R315-D344 PolarHBondContact NH2-OD2 3.11Å
316	S	93.7	Very high	92.1	Very high	13 Å²	13	35 Å²	35	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-62.9	-44	179.3	176.6	0	0	0	0	112.4	P92 L93 A312 Q313 N319 H320	P92-S316 VanDerWaalsContact CB-OG 3.31Å; P92-S316 WeakPolarHBondContact CB-OG 3.38Å; L93-S316 WeakPolarHBondContact CB-OG 3.32Å; L93-S316 PolarHBondContact N-OG 3.02Å; L93-S316 PolarHBondContact O-OG 3.18Å; A312-S316 VanDerWaalsContact O-CB 3.28Å; A312-S316 WeakPolarHBondContact O-CB 3.36Å; A312-S316 PolarHBondContact O-N 2.93Å; Q313-S316 PolarHBondContact O-N 2.98Å; S316-N319 CarbonylContact O-C 3.58Å; S316-N319 PolarHBondContact O-N 3.22Å; S316-H320 WeakPolarHBondContact O-CB 3.47Å; S316-H320 PolarHBondContact O-N 3.49Å
317	I	95.9	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-48.1	176.3	-66.1	160.2	0	0	0	110.5	L223 V225 P277 L280 I281 L291 Q313 N319 H320 I321	L223-I317 HydrophobicContact CD2-CG2 3.88Å; V225-I317 HydrophobicContact CG1-CD1 4.46Å; V225-I317 HydrophobicContact CG2-CG2 4.4Å; P277-I317 HydrophobicContact CB-CD1 3.98Å; L280-I317 HydrophobicContact CD2-CD1 3.92Å; L280-I317 HydrophobicContact CD2-CG1 4.04Å; L280-I317 HydrophobicContact CD2-CG2 3.92Å; I281-I317 HydrophobicContact CD1-CD1 4.34Å; I281-I317 HydrophobicContact CD1-CG1 4.27Å; I281-I317 HydrophobicContact CG1-CD1 4.27Å; I281-I317 HydrophobicContact CG1-CG1 4.07Å; L291-I317 HydrophobicContact CD1-CG2 4.43Å; Q313-I317 WeakPolarHBondContact O-CD1 3.29Å; Q313-I317 VanDerWaalsContact O-CG1 3.26Å; Q313-I317 WeakPolarHBondContact O-CG1 3.48Å; Q313-I317 PolarHBondContact O-N 3.38Å; I317-N319 VanDerWaalsContact C-N 3.25Å; I317-N319 PolarHBondContact O-N 3.06Å; I317-H320 PolarHBondContact O-N 3.39Å; I317-H320 VanDerWaalsContact O-N 3.14Å; I317-I321 HydrophobicContact CG2-CD1 3.94Å; I317-I321 WeakPolarHBondContact O-CD1 3.15Å; I317-I321 WeakPolarHBondContact O-CG1 3.24Å; I317-I321 PolarHBondContact O-N 3.46Å
318	A	95.5	Very high	93.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-29.2	178.1	0	0	0	0	0	113.7	L297 F299 V314 R315 R325 I345	L297-A318 HydrophobicContact CD2-CB 4.43Å; F299-A318 HydrophobicContact CE2-CB 4.29Å; F299-A318 HydrophobicContact CZ-CB 4.13Å; V314-A318 WeakPolarHBondContact O-CB 3.35Å; V314-A318 PolarHBondContact O-N 2.93Å; V314-A318 VanDerWaalsContact O-N 3.1Å; R315-A318 PolarHBondContact O-N 2.88Å; A318-R325 PolarHBondContact O-NH1 3.16Å; A318-R325 PolarHBondContact O-NH2 2.96Å; A318-I345 HydrophobicContact CB-CB 3.96Å; A318-I345 HydrophobicContact CB-CG2 3.76Å
319	N	93.6	Very high	94.1	Very high	96 Å²	96	29.1 Å²	29.1	51%	0.513	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8	178.2	-67.1	7.3	0	0	0	113.6	H98 R315 S316 I317	H98-N319 PolarHBondContact NE2-O 3.32Å; R315-N319 VanDerWaalsContact O-CB 3.3Å; R315-N319 WeakPolarHBondContact O-CB 3.41Å; R315-N319 PolarHBondContact O-N 3.4Å; R315-N319 PolarHBondContact O-OD1 3.14Å; S316-N319 CarbonylContact O-C 3.58Å; S316-N319 PolarHBondContact O-N 3.22Å; I317-N319 VanDerWaalsContact C-N 3.25Å; I317-N319 PolarHBondContact O-N 3.06Å
320	H	95.4	Very high	94.6	Very high	30 Å²	30	26.7 Å²	26.7	14%	0.139	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-4.2	174.9	-161.9	92.8	0	0	0	111.8	L93 P94 V96 S316 I317	L93-H320 HydrophobicContact CB-CB 4.38Å; L93-H320 HydrophobicContact CD1-CB 3.94Å; P94-H320 PolarHBondContact O-ND1 3.11Å; V96-H320 VanDerWaalsContact CG2-CE1 3.47Å; V96-H320 WeakPolarHBondContact CG2-CE1 3.48Å; V96-H320 WeakPolarHBondContact CG2-ND1 3.31Å; S316-H320 WeakPolarHBondContact O-CB 3.47Å; S316-H320 PolarHBondContact O-N 3.49Å; I317-H320 PolarHBondContact O-N 3.39Å; I317-H320 VanDerWaalsContact O-N 3.14Å
321	I	96.4	Very high	94.8	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.131	C	C	.	.	S	Bend	trans	-105.4	146	177.4	-62.5	158	0	0	0	108.7	H98 L223 L291 V294 L297 I317 R325	H98-I321 VanDerWaalsContact CE1-C 3.45Å; H98-I321 PolarHBondContact CE1-O 3.38Å; H98-I321 PolarHBondContact NE2-O 3.16Å; L223-I321 HydrophobicContact CD2-CD1 3.91Å; L291-I321 HydrophobicContact CB-CG1 3.83Å; L291-I321 HydrophobicContact CD1-CD1 4.3Å; L291-I321 HydrophobicContact CD1-CG1 3.93Å; L291-I321 HydrophobicContact CG-CG1 4.48Å; V294-I321 HydrophobicContact CB-CD1 4.48Å; V294-I321 HydrophobicContact CB-CG1 4.27Å; V294-I321 HydrophobicContact CB-CG2 3.78Å; V294-I321 HydrophobicContact CG1-CD1 4.06Å; V294-I321 HydrophobicContact CG1-CG1 4.37Å; V294-I321 HydrophobicContact CG1-CG2 3.9Å; V294-I321 WeakPolarHBondContact O-CG2 3.37Å; L297-I321 HydrophobicContact CD1-CD1 3.81Å; L297-I321 HydrophobicContact CD2-CD1 3.62Å; L297-I321 HydrophobicContact CG-CD1 4.25Å; I317-I321 HydrophobicContact CG2-CD1 3.94Å; I317-I321 WeakPolarHBondContact O-CD1 3.15Å; I317-I321 WeakPolarHBondContact O-CG1 3.24Å; I317-I321 PolarHBondContact O-N 3.46Å; I321-R325 HydrophobicContact CG2-CB 4.45Å; I321-R325 PolarHBondContact O-NH1 2.92Å
322	R	96.3	Very high	94.6	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.011	13%	0.125	C	C	.	.			trans	-43.7	139.3	176.1	63.4	-172.9	-71.3	173	0.7	113	Y103 E104 D324 R325	Y103-R322 HydrophobicContact CD1-CB 3.93Å; Y103-R322 HydrophobicContact CD2-CB 4.23Å; Y103-R322 HydrophobicContact CE1-CB 3.72Å; Y103-R322 HydrophobicContact CE2-CB 4.01Å; Y103-R322 HydrophobicContact CG-CB 4.19Å; E104-R322 VanDerWaalsContact O-CZ 3.32Å; E104-R322 PolarHBondContact O-NH1 3.18Å; E104-R322 PolarHBondContact O-NH2 2.86Å; R322-D324 VanDerWaalsContact C-N 3.33Å; R322-D324 WeakPolarHBondContact CB-OD1 3.03Å; R322-D324 WeakPolarHBondContact CG-OD1 3.36Å; R322-D324 IonicContact CZ-OD1 3.55Å; R322-D324 IonicContact CZ-OD2 3.08Å; R322-D324 IonicContact NE-OD1 3.77Å; R322-D324 PolarHBondContact NE-OD1 2.85Å; R322-D324 IonicContact NE-OD2 2.85Å; R322-D324 PolarHBondContact NE-OD2 3.49Å; R322-D324 IonicContact NH2-OD1 3.77Å; R322-D324 IonicContact NH2-OD2 2.75Å; R322-D324 PolarHBondContact NH2-OD2 3.16Å; R322-D324 PolarHBondContact O-N 3.43Å; R322-R325 HydrophobicContact CG-CB 4.38Å; R322-R325 WeakPolarHBondContact O-CD 3.46Å; R322-R325 VanDerWaalsContact O-CG 3.31Å; R322-R325 WeakPolarHBondContact O-CG 3.35Å; R322-R325 PolarHBondContact O-NH1 3.33Å
323	P	94.8	Very high	94.2	Very high	88 Å²	88	20.4 Å²	20.4	57%	0.571	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-13.7	-168.1	31.3	-37	0	0	0	114.5
324	D	95.7	Very high	94	Very high	65 Å²	65	20.7 Å²	20.7	35%	0.348	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-6.3	-174.9	62.2	-31.3	0	0	0	114.4	F106 K108 R322	F106-D324 WeakPolarHBondContact CZ-O 3.49Å; K108-D324 PolarHBondContact NZ-O 3.34Å; R322-D324 VanDerWaalsContact C-N 3.33Å; R322-D324 WeakPolarHBondContact CB-OD1 3.03Å; R322-D324 WeakPolarHBondContact CG-OD1 3.36Å; R322-D324 IonicContact CZ-OD1 3.55Å; R322-D324 IonicContact CZ-OD2 3.08Å; R322-D324 IonicContact NE-OD1 3.77Å; R322-D324 PolarHBondContact NE-OD1 2.85Å; R322-D324 IonicContact NE-OD2 2.85Å; R322-D324 PolarHBondContact NE-OD2 3.49Å; R322-D324 IonicContact NH2-OD1 3.77Å; R322-D324 IonicContact NH2-OD2 2.75Å; R322-D324 PolarHBondContact NH2-OD2 3.16Å; R322-D324 PolarHBondContact O-N 3.43Å
325	R	97.2	Very high	93.6	Very high	22 Å²	22	23.4 Å²	23.4	8%	0.083	12%	0.121	C	C	.	.	S	Bend	trans	-41.8	158.8	168.9	68.2	178.4	177.5	-99.8	2	112.9	T295 A318 I321 R322 I345	T295-R325 WeakPolarHBondContact O-CA 3.26Å; A318-R325 PolarHBondContact O-NH1 3.16Å; A318-R325 PolarHBondContact O-NH2 2.96Å; I321-R325 HydrophobicContact CG2-CB 4.45Å; I321-R325 PolarHBondContact O-NH1 2.92Å; R322-R325 HydrophobicContact CG-CB 4.38Å; R322-R325 WeakPolarHBondContact O-CD 3.46Å; R322-R325 VanDerWaalsContact O-CG 3.31Å; R322-R325 WeakPolarHBondContact O-CG 3.35Å; R322-R325 PolarHBondContact O-NH1 3.33Å; R325-I345 PolarHBondContact NH2-O 2.84Å
326	Q	98	Very high	93.4	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.4	158.1	-167.7	178	18.6	0	0	109.9	V180 R184 T295 Y296 L297 L328	V180-Q326 PolarHBondContact O-NE2 2.97Å; R184-Q326 PolarHBondContact O-NE2 2.83Å; T295-Q326 PolarHBondContact O-N 3.22Å; Y296-Q326 HydrophobicContact CD2-CB 4.43Å; L297-Q326 PolarHBondContact N-O 3.4Å; Q326-L328 HydrophobicContact CG-CD1 4Å
327	C	98	Very high	93.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.3	-178	-158.2	0	0	0	0	111.4	D185 I186 L297 I345 L346	D185-C327 WeakPolarHBondContact CA-O 3.26Å; D185-C327 WeakPolarHBondContact CB-O 3.41Å; D185-C327 VanDerWaalsContact CG-O 3.22Å; D185-C327 PolarHBondContact OD1-N 2.82Å; D185-C327 WeakPolarHBondContact OD2-CB 3.02Å; I186-C327 PolarHBondContact N-O 3.1Å; L297-C327 CarbonylContact O-C 3.59Å; L297-C327 WeakPolarHBondContact O-CA 3.35Å; C327-I345 PolarHBondContact SG-O 2.7Å; C327-L346 HydrophobicContact CB-CD2 3.53Å; C327-L346 WeakPolarHBondContact SG-CD2 3.01Å
328	L	98.1	Very high	92.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127	-170.7	-57.8	85.1	0	0	0	109.7	V180 I186 Y296 L297 V298 F299 Q326 F330	V180-L328 HydrophobicContact CB-CD2 4.36Å; V180-L328 HydrophobicContact CG1-CD2 3.66Å; V180-L328 HydrophobicContact CG2-CD2 3.65Å; I186-L328 HydrophobicContact CG2-CB 3.75Å; I186-L328 HydrophobicContact CG2-CD2 3.97Å; I186-L328 HydrophobicContact CG2-CG 3.82Å; Y296-L328 HydrophobicContact CD1-CD1 4.1Å; Y296-L328 HydrophobicContact CD2-CD1 4.04Å; Y296-L328 HydrophobicContact CE1-CD1 3.91Å; Y296-L328 HydrophobicContact CE1-CD2 4.16Å; Y296-L328 HydrophobicContact CE2-CD1 3.81Å; Y296-L328 HydrophobicContact CE2-CD2 4.15Å; Y296-L328 HydrophobicContact CG-CD1 4.21Å; Y296-L328 WeakPolarHBondContact OH-CD2 3.35Å; L297-L328 WeakPolarHBondContact O-CD1 3.11Å; L297-L328 PolarHBondContact O-N 3.09Å; V298-L328 CarbonylContact C-O 3.59Å; V298-L328 WeakPolarHBondContact CA-O 3.39Å; V298-L328 HydrophobicContact CG1-CB 4.49Å; V298-L328 HydrophobicContact CG2-CB 4.23Å; V298-L328 HydrophobicContact CG2-CD1 4.21Å; V298-L328 HydrophobicContact CG2-CD2 4.33Å; F299-L328 PolarHBondContact N-O 3.11Å; Q326-L328 HydrophobicContact CG-CD1 4Å; L328-F330 HydrophobicContact CB-CD2 4.4Å; L328-F330 HydrophobicContact CB-CE2 4.04Å; L328-F330 HydrophobicContact CD2-CE2 4.08Å
329	M	97.1	Very high	92.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.4	177.9	-166	-174	69.3	0	0	111.3	I186 V187 G188 F299 A302 F334 I338 L341 L346	I186-M329 PolarHBondContact O-N 2.75Å; V187-M329 CarbonylContact C-O 3.6Å; V187-M329 WeakPolarHBondContact CA-O 3.3Å; V187-M329 HydrophobicContact CG1-CE 3.91Å; V187-M329 HydrophobicContact CG2-CE 4.23Å; G188-M329 PolarHBondContact N-O 3.07Å; F299-M329 HydrophobicContact CB-CG 4.3Å; F299-M329 WeakPolarHBondContact O-CA 3.24Å; A302-M329 HydrophobicContact CB-CG 3.59Å; A302-M329 HydrophobicContact CB-SD 3.95Å; M329-F334 HydrophobicContact CE-CD2 4.42Å; M329-F334 HydrophobicContact CE-CE2 3.83Å; M329-I338 HydrophobicContact CE-CG2 3.4Å; M329-I338 VanDerWaalsContact CE-CG2 3.4Å; M329-I338 HydrophobicContact SD-CG2 3.88Å; M329-L341 HydrophobicContact SD-CD2 3.9Å; M329-L346 HydrophobicContact CB-CD1 4.47Å
330	F	95.6	Very high	92.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.8	178.3	-73.4	-88.4	0	0	0	111.5	I172 I186 G188 K196 Y200 V298 F299 D300 E301 A302 L328	I172-F330 HydrophobicContact CG1-CE1 4.48Å; I186-F330 HydrophobicContact CD1-CZ 4.27Å; I186-F330 HydrophobicContact CG2-CE2 3.88Å; I186-F330 HydrophobicContact CG2-CZ 3.97Å; G188-F330 WeakPolarHBondContact O-CA 3.41Å; K196-F330 HydrophobicContact CB-CD1 4.01Å; K196-F330 HydrophobicContact CD-CB 4.31Å; K196-F330 HydrophobicContact CD-CD1 4.01Å; K196-F330 HydrophobicContact CG-CD1 4.02Å; Y200-F330 AromaticContact CD1-CD2 3.56Å; Y200-F330 HydrophobicContact CD1-CD2 3.56Å; Y200-F330 AromaticContact CD1-CE2 3.69Å; Y200-F330 HydrophobicContact CD1-CE2 3.69Å; Y200-F330 HydrophobicContact CD1-CG 4.08Å; Y200-F330 HydrophobicContact CD1-CZ 4.32Å; Y200-F330 HydrophobicContact CE1-CD2 4.23Å; Y200-F330 HydrophobicContact CE1-CG 4.45Å; Y200-F330 HydrophobicContact CG-CD2 4.41Å; Y200-F330 HydrophobicContact CG-CE2 4.23Å; V298-F330 HydrophobicContact CG1-CD2 4.33Å; F299-F330 PolarHBondContact O-N 2.93Å; D300-F330 HydrophobicContact CB-CB 4.4Å; D300-F330 WeakPolarHBondContact OD1-CB 3.2Å; E301-F330 PolarHBondContact N-O 3.3Å; E301-F330 VanDerWaalsContact N-O 3.15Å; A302-F330 PolarHBondContact N-O 3.43Å; A302-F330 VanDerWaalsContact N-O 3.11Å; L328-F330 HydrophobicContact CB-CD2 4.4Å; L328-F330 HydrophobicContact CB-CE2 4.04Å; L328-F330 HydrophobicContact CD2-CE2 4.08Å
331	S	91.7	Very high	92.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	162.6	-171.8	-162.9	0	0	0	0	111.7	G188 A190 K196 D303 T333	G188-S331 PolarHBondContact O-N 3.48Å; A190-S331 PolarHBondContact N-O 3.15Å; K196-S331 PolarHBondContact NZ-O 2.9Å; D303-S331 WeakPolarHBondContact CB-OG 3.5Å; D303-S331 PolarHBondContact OD1-OG 2.82Å; D303-S331 PolarHBondContact OD2-OG 3.27Å; S331-T333 WeakPolarHBondContact CB-O 3.41Å; S331-T333 PolarHBondContact OG-N 3.24Å; S331-T333 PolarHBondContact OG-O 3.1Å
332	A	84.7	Confident	91.9	Very high	13 Å²	13	38.4 Å²	38.4	11%	0.107	18%	0.179	C	C	.	.	S	Bend	trans	-93.2	-38.1	166.7	0	0	0	0	0	111	D303 H477	D303-A332 PolarHBondContact OD2-N 2.95Å; A332-H477 WeakPolarHBondContact CB-NE2 3.48Å
333	T	81.8	Confident	91.8	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.031	21%	0.209	C	C	.	.			trans	-118.5	158.2	-179.8	73.1	0	0	0	0	111.6	D303 S331 D473	D303-T333 VanDerWaalsContact CB-OG1 3.31Å; D303-T333 WeakPolarHBondContact CB-OG1 3.36Å; D303-T333 WeakPolarHBondContact OD2-CA 3.39Å; D303-T333 WeakPolarHBondContact OD2-CB 3.3Å; D303-T333 PolarHBondContact OD2-N 2.72Å; D303-T333 PolarHBondContact OD2-OG1 2.73Å; S331-T333 WeakPolarHBondContact CB-O 3.41Å; S331-T333 PolarHBondContact OG-N 3.24Å; S331-T333 PolarHBondContact OG-O 3.1Å; T333-D473 HydrophobicContact CG2-CB 4.13Å
334	F	87.7	Confident	91.6	Very high	28 Å²	28	46.1 Å²	46.1	12%	0.123	20%	0.202	C	C	.	.			trans	-127.2	61.8	179.4	-161.4	-106.3	0	0	0	111.4	V187 I189 M329 I338 E339 K351 I357	V187-F334 HydrophobicContact CG1-CD2 4Å; V187-F334 HydrophobicContact CG1-CE2 3.51Å; V187-F334 HydrophobicContact CG1-CZ 4.23Å; I189-F334 HydrophobicContact CD1-CB 3.69Å; I189-F334 HydrophobicContact CD1-CD1 4.27Å; I189-F334 HydrophobicContact CD1-CD2 3.56Å; I189-F334 HydrophobicContact CD1-CE2 4.25Å; I189-F334 HydrophobicContact CD1-CG 3.57Å; I189-F334 HydrophobicContact CG1-CB 4.14Å; I189-F334 HydrophobicContact CG1-CD2 4.02Å; I189-F334 HydrophobicContact CG1-CG 4.29Å; M329-F334 HydrophobicContact CE-CD2 4.42Å; M329-F334 HydrophobicContact CE-CE2 3.83Å; F334-I338 HydrophobicContact CD2-CG2 3.91Å; F334-I338 HydrophobicContact CE2-CG2 4.04Å; F334-E339 HydrophobicContact CD1-CB 4.29Å; F334-E339 HydrophobicContact CE1-CB 3.57Å; F334-E339 HydrophobicContact CE1-CG 3.69Å; F334-E339 HydrophobicContact CZ-CB 3.81Å; F334-E339 HydrophobicContact CZ-CG 4.01Å; F334-K351 HydrophobicContact CE1-CD 4.43Å; F334-K351 VanDerWaalsContact CE1-NZ 3.28Å; F334-K351 HydrophobicContact CZ-CD 4.48Å; F334-K351 VanDerWaalsContact CZ-NZ 3.33Å; F334-I357 HydrophobicContact CB-CG2 3.88Å
335	K	85.6	Confident	91.5	Very high	57 Å²	57	43.5 Å²	43.5	25%	0.248	19%	0.188	C	C	.	.			trans	-62.9	153.4	176.6	-59.9	173.2	-177	-178.6	0	110.7	D307 K337 I338 E339 D473	D307-K335 IonicContact OD1-NZ 2.75Å; D307-K335 IonicContact OD2-NZ 2.71Å; D307-K335 PolarHBondContact OD2-NZ 3.42Å; K335-K337 PolarHBondContact O-N 3.12Å; K335-I338 PolarHBondContact O-N 3.05Å; K335-E339 PolarHBondContact O-N 3.44Å; K335-D473 WeakPolarHBondContact CE-OD1 3.38Å; K335-D473 WeakPolarHBondContact CE-OD2 3.47Å; K335-D473 IonicContact NZ-OD1 2.83Å; K335-D473 IonicContact NZ-OD2 3.72Å; K335-D473 PolarHBondContact NZ-OD2 3.21Å
336	K	88	Confident	91.4	Very high	167 Å²	167	43.4 Å²	43.4	73%	0.726	19%	0.189	S	C	*	.	H	α-helix	trans	-51.5	-25.5	179	-71.8	-172.8	175.9	-175.3	0	115.6	R340	K336-R340 WeakPolarHBondContact O-CG 3.18Å; K336-R340 PolarHBondContact O-N 3.08Å
337	K	87.6	Confident	91.2	Very high	120 Å²	120	47.3 Å²	47.3	52%	0.522	22%	0.217	S	C	.	.	H	α-helix	trans	-69.6	-47.3	173.4	-71.6	-160.3	174	-160.7	0	112.2	F306 E311 K335 E339 R340 L341	F306-K337 HydrophobicContact CD1-CB 3.68Å; F306-K337 HydrophobicContact CD1-CD 3.86Å; F306-K337 HydrophobicContact CD1-CG 4.46Å; F306-K337 HydrophobicContact CE1-CB 3.93Å; F306-K337 HydrophobicContact CE1-CD 4.45Å; E311-K337 IonicContact OE2-NZ 3.8Å; K335-K337 PolarHBondContact O-N 3.12Å; K337-E339 VanDerWaalsContact C-N 3.3Å; K337-R340 WeakPolarHBondContact O-CB 3.23Å; K337-R340 PolarHBondContact O-N 2.88Å; K337-R340 VanDerWaalsContact O-N 3.15Å; K337-L341 PolarHBondContact O-N 3.47Å
338	I	88.6	Confident	91	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-67.8	-33.6	177	-59.6	-54.3	0	0	0	110.9	A302 D303 F306 M329 F334 K335 R340 L341 S342	A302-I338 VanDerWaalsContact O-CD1 3.3Å; A302-I338 WeakPolarHBondContact O-CD1 3.42Å; D303-I338 HydrophobicContact CB-CG1 4.09Å; F306-I338 HydrophobicContact CB-CD1 3.92Å; F306-I338 HydrophobicContact CD1-CD1 3.79Å; F306-I338 HydrophobicContact CD2-CD1 3.59Å; F306-I338 HydrophobicContact CE1-CD1 4.19Å; F306-I338 HydrophobicContact CE2-CD1 4.06Å; F306-I338 HydrophobicContact CG-CD1 3.47Å; F306-I338 VanDerWaalsContact CG-CD1 3.47Å; F306-I338 HydrophobicContact CZ-CD1 4.33Å; M329-I338 HydrophobicContact CE-CG2 3.4Å; M329-I338 VanDerWaalsContact CE-CG2 3.4Å; M329-I338 HydrophobicContact SD-CG2 3.88Å; F334-I338 HydrophobicContact CD2-CG2 3.91Å; F334-I338 HydrophobicContact CE2-CG2 4.04Å; K335-I338 PolarHBondContact O-N 3.05Å; I338-R340 PolarHBondContact O-N 3.47Å; I338-L341 PolarHBondContact O-N 3.07Å; I338-S342 WeakPolarHBondContact O-CB 3.42Å; I338-S342 PolarHBondContact O-N 3.24Å; I338-S342 PolarHBondContact O-OG 3.02Å
339	E	91.2	Very high	91	Very high	58 Å²	58	53.5 Å²	53.5	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-42.4	169.3	-175.5	-179.2	-168.6	0	0	112.7	F334 K335 K337 S342 R343	F334-E339 HydrophobicContact CD1-CB 4.29Å; F334-E339 HydrophobicContact CE1-CB 3.57Å; F334-E339 HydrophobicContact CE1-CG 3.69Å; F334-E339 HydrophobicContact CZ-CB 3.81Å; F334-E339 HydrophobicContact CZ-CG 4.01Å; K335-E339 PolarHBondContact O-N 3.44Å; K337-E339 VanDerWaalsContact C-N 3.3Å; E339-S342 PolarHBondContact O-N 3.28Å; E339-S342 PolarHBondContact O-OG 3.24Å; E339-R343 WeakPolarHBondContact O-CG 3.21Å; E339-R343 IonicContact OE1-CZ 2.68Å; E339-R343 IonicContact OE1-NE 3.98Å; E339-R343 IonicContact OE1-NH2 3.45Å; E339-R343 PolarHBondContact OE1-NH2 2.85Å
340	R	92.1	Very high	91	Very high	170 Å²	170	53.5 Å²	53.5	64%	0.642	25%	0.252	S	S	*	.	H	α-helix	trans	-63.1	-53.4	174.7	-73.2	171.3	179.9	-177.8	-3.2	110.8	K336 K337 I338 S342 R343 D344	K336-R340 WeakPolarHBondContact O-CG 3.18Å; K336-R340 PolarHBondContact O-N 3.08Å; K337-R340 WeakPolarHBondContact O-CB 3.23Å; K337-R340 PolarHBondContact O-N 2.88Å; K337-R340 VanDerWaalsContact O-N 3.15Å; I338-R340 PolarHBondContact O-N 3.47Å; R340-S342 PolarHBondContact O-N 3.33Å; R340-S342 VanDerWaalsContact O-N 3.16Å; R340-R343 WeakPolarHBondContact O-CA 3.25Å; R340-R343 WeakPolarHBondContact O-CB 3.34Å; R340-R343 PolarHBondContact O-N 3.39Å; R340-D344 PolarHBondContact O-N 2.87Å; R340-D344 VanDerWaalsContact O-N 3.16Å
341	L	89.2	Confident	91	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-49.3	-46.8	176.9	-176.8	75.7	0	0	0	111.7	F306 V314 R315 M329 K337 I338 R343 D344 I345	F306-L341 HydrophobicContact CE2-CB 4.49Å; F306-L341 HydrophobicContact CE2-CD1 4.31Å; F306-L341 HydrophobicContact CE2-CD2 3.67Å; F306-L341 HydrophobicContact CE2-CG 4.36Å; F306-L341 HydrophobicContact CZ-CB 3.86Å; F306-L341 HydrophobicContact CZ-CD1 3.98Å; F306-L341 HydrophobicContact CZ-CD2 3.89Å; F306-L341 HydrophobicContact CZ-CG 4.11Å; V314-L341 HydrophobicContact CG1-CD1 4Å; V314-L341 HydrophobicContact CG1-CD2 3.84Å; R315-L341 HydrophobicContact CG-CD1 3.88Å; M329-L341 HydrophobicContact SD-CD2 3.9Å; K337-L341 PolarHBondContact O-N 3.47Å; I338-L341 PolarHBondContact O-N 3.07Å; L341-R343 PolarHBondContact O-N 2.95Å; L341-R343 VanDerWaalsContact O-N 3.07Å; L341-D344 WeakPolarHBondContact O-CA 3.23Å; L341-D344 PolarHBondContact O-N 3.28Å; L341-I345 HydrophobicContact CD1-CD1 4.07Å; L341-I345 HydrophobicContact CD1-CG1 4.43Å; L341-I345 HydrophobicContact CD1-CG2 3.73Å; L341-I345 HydrophobicContact CD2-CD1 3.97Å; L341-I345 HydrophobicContact CG-CD1 3.79Å; L341-I345 HydrophobicContact CG-CG1 4.14Å; L341-I345 HydrophobicContact CG-CG2 4.34Å; L341-I345 WeakPolarHBondContact O-CG1 3.42Å; L341-I345 PolarHBondContact O-N 3.07Å
342	S	91.9	Very high	91.2	Very high	6 Å²	6	55.5 Å²	55.5	4%	0.042	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-14.6	179.7	71.3	0	0	0	0	115.7	I338 E339 R340 L346	I338-S342 WeakPolarHBondContact O-CB 3.42Å; I338-S342 PolarHBondContact O-N 3.24Å; I338-S342 PolarHBondContact O-OG 3.02Å; E339-S342 PolarHBondContact O-N 3.28Å; E339-S342 PolarHBondContact O-OG 3.24Å; R340-S342 PolarHBondContact O-N 3.33Å; R340-S342 VanDerWaalsContact O-N 3.16Å; S342-L346 WeakPolarHBondContact O-CB 3.26Å; S342-L346 WeakPolarHBondContact O-CD1 3.36Å; S342-L346 WeakPolarHBondContact O-CG 3.38Å
343	R	92.9	Very high	91.7	Very high	172 Å²	172	55.5 Å²	55.5	65%	0.649	26%	0.259	S	S	*	.	H	α-helix	trans	-96.6	-19.6	171.8	-58	168.7	-171.8	-151.5	2.7	112.3	E339 R340 L341	E339-R343 WeakPolarHBondContact O-CG 3.21Å; E339-R343 IonicContact OE1-CZ 2.68Å; E339-R343 IonicContact OE1-NE 3.98Å; E339-R343 IonicContact OE1-NH2 3.45Å; E339-R343 PolarHBondContact OE1-NH2 2.85Å; R340-R343 WeakPolarHBondContact O-CA 3.25Å; R340-R343 WeakPolarHBondContact O-CB 3.34Å; R340-R343 PolarHBondContact O-N 3.39Å; L341-R343 PolarHBondContact O-N 2.95Å; L341-R343 VanDerWaalsContact O-N 3.07Å
344	D	91.7	Very high	92.1	Very high	81 Å²	81	57 Å²	57	43%	0.433	27%	0.265	S	S	.	.	H	α-helix	trans	-92.1	-23.5	-175.3	-53.5	-27.3	0	0	0	112.1	R315 R340 L341	R315-D344 IonicContact CZ-OD2 3.79Å; R315-D344 VanDerWaalsContact CZ-OD2 3.23Å; R315-D344 IonicContact NH1-OD2 3.62Å; R315-D344 PolarHBondContact NH1-OD2 3.3Å; R315-D344 IonicContact NH2-OD2 2.75Å; R315-D344 PolarHBondContact NH2-OD2 3.11Å; R340-D344 PolarHBondContact O-N 2.87Å; R340-D344 VanDerWaalsContact O-N 3.16Å; L341-D344 WeakPolarHBondContact O-CA 3.23Å; L341-D344 PolarHBondContact O-N 3.28Å
345	I	93.4	Very high	92	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.046	26%	0.264	C	S	.	.	S	Bend	trans	-124.7	-3.5	-173.3	75.2	171	0	0	0	116.3	F299 A318 R325 C327 L341	F299-I345 HydrophobicContact CD2-CD1 3.72Å; F299-I345 HydrophobicContact CE2-CD1 3.63Å; F299-I345 HydrophobicContact CZ-CD1 4.48Å; A318-I345 HydrophobicContact CB-CB 3.96Å; A318-I345 HydrophobicContact CB-CG2 3.76Å; R325-I345 PolarHBondContact NH2-O 2.84Å; C327-I345 PolarHBondContact SG-O 2.7Å; L341-I345 HydrophobicContact CD1-CD1 4.07Å; L341-I345 HydrophobicContact CD1-CG1 4.43Å; L341-I345 HydrophobicContact CD1-CG2 3.73Å; L341-I345 HydrophobicContact CD2-CD1 3.97Å; L341-I345 HydrophobicContact CG-CD1 3.79Å; L341-I345 HydrophobicContact CG-CG1 4.14Å; L341-I345 HydrophobicContact CG-CG2 4.34Å; L341-I345 WeakPolarHBondContact O-CG1 3.42Å; L341-I345 PolarHBondContact O-N 3.07Å
346	L	94.9	Very high	91.5	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	28%	0.283	C	S	.	.			trans	-121.2	150.1	-175.5	-50.2	-179.3	0	0	0	111.6	D185 V187 C327 M329 S342 P349	D185-L346 HydrophobicContact CB-CB 4.3Å; D185-L346 WeakPolarHBondContact OD2-CA 3.34Å; D185-L346 WeakPolarHBondContact OD2-CB 3.45Å; V187-L346 HydrophobicContact CG2-CD1 3.39Å; C327-L346 HydrophobicContact CB-CD2 3.53Å; C327-L346 WeakPolarHBondContact SG-CD2 3.01Å; M329-L346 HydrophobicContact CB-CD1 4.47Å; S342-L346 WeakPolarHBondContact O-CB 3.26Å; S342-L346 WeakPolarHBondContact O-CD1 3.36Å; S342-L346 WeakPolarHBondContact O-CG 3.38Å; L346-P349 HydrophobicContact CB-CB 4Å; L346-P349 HydrophobicContact CB-CG 3.89Å; L346-P349 HydrophobicContact CD1-CB 3.79Å; L346-P349 HydrophobicContact CD1-CG 4.02Å
347	S	94.4	Very high	90.5	Very high	85 Å²	85	56.3 Å²	56.3	59%	0.594	27%	0.27	S	S	*	.	S	Bend	trans	-116.7	120.5	178.6	-165	0	0	0	0	111.8	D185	D185-S347 PolarHBondContact OD2-N 2.94Å
348	D	93.9	Very high	89.2	Confident	94 Å²	94	52.1 Å²	52.1	50%	0.503	26%	0.262	S	S	.	.	S	Bend	trans	34.8	59.2	-171.3	-169.5	28.2	0	0	0	115	R184	R184-D348 IonicContact CZ-OD2 2.7Å; R184-D348 PolarHBondContact NE-O 3.5Å; R184-D348 IonicContact NE-OD2 3.45Å; R184-D348 IonicContact NH1-OD2 3.32Å; R184-D348 PolarHBondContact NH2-O 3.48Å; R184-D348 IonicContact NH2-OD1 2.71Å; R184-D348 PolarHBondContact NH2-OD1 3.07Å; R184-D348 IonicContact NH2-OD2 2.79Å; R184-D348 PolarHBondContact NH2-OD2 3.03Å
349	P	96.4	Very high	88.1	Confident	36 Å²	36	54.8 Å²	54.8	23%	0.234	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-76.2	137.2	-172.4	30.5	-36.5	0	0	0	113.6	D185 V187 L346	D185-P349 HydrophobicContact CB-CB 3.83Å; D185-P349 CarbonylContact O-C 3.5Å; D185-P349 VanDerWaalsContact O-CA 3.3Å; D185-P349 WeakPolarHBondContact O-CA 3.27Å; V187-P349 HydrophobicContact CG2-CB 4.29Å; L346-P349 HydrophobicContact CB-CB 4Å; L346-P349 HydrophobicContact CB-CG 3.89Å; L346-P349 HydrophobicContact CD1-CB 3.79Å; L346-P349 HydrophobicContact CD1-CG 4.02Å
350	I	97.2	Very high	86.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.3	167.3	-66.6	164.6	0	0	0	108.8	V136 P141 V179 R184 D185 I186 V187 V352	V136-I350 HydrophobicContact CG1-CG2 3.88Å; P141-I350 HydrophobicContact CB-CD1 4.11Å; P141-I350 HydrophobicContact CB-CG1 4.42Å; P141-I350 HydrophobicContact CB-CG2 3.94Å; V179-I350 HydrophobicContact CG1-CB 3.75Å; V179-I350 HydrophobicContact CG1-CD1 4Å; V179-I350 HydrophobicContact CG1-CG1 4.45Å; V179-I350 HydrophobicContact CG1-CG2 3.97Å; V179-I350 HydrophobicContact CG2-CB 4.49Å; V179-I350 HydrophobicContact CG2-CD1 4.26Å; V179-I350 HydrophobicContact CG2-CG2 3.89Å; R184-I350 HydrophobicContact CB-CD1 4.07Å; R184-I350 HydrophobicContact CG-CD1 4.08Å; D185-I350 PolarHBondContact O-N 2.83Å; I186-I350 WeakPolarHBondContact CA-O 3.36Å; I186-I350 WeakPolarHBondContact CG1-O 3.35Å; V187-I350 PolarHBondContact N-O 2.8Å; I350-V352 HydrophobicContact CG2-CG2 4.13Å
351	K	96.4	Very high	85.8	Confident	41 Å²	41	44.4 Å²	44.4	18%	0.178	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.8	179.1	-178	176.3	-62.7	171.6	0	110.5	V136 L137 V187 I189 F334 I353	V136-K351 CarbonylContact C-O 3.26Å; V136-K351 WeakPolarHBondContact CA-O 3.48Å; L137-K351 HydrophobicContact CB-CB 4.32Å; L137-K351 HydrophobicContact CD1-CD 4.45Å; L137-K351 PolarHBondContact N-O 3.39Å; L137-K351 PolarHBondContact O-N 2.83Å; V187-K351 HydrophobicContact CB-CB 4.12Å; V187-K351 HydrophobicContact CB-CG 4.01Å; V187-K351 HydrophobicContact CG1-CD 4.45Å; V187-K351 HydrophobicContact CG1-CG 4.02Å; V187-K351 WeakPolarHBondContact O-CA 3.5Å; I189-K351 HydrophobicContact CD1-CD 4.27Å; I189-K351 HydrophobicContact CD1-CG 4.12Å; F334-K351 HydrophobicContact CE1-CD 4.43Å; F334-K351 VanDerWaalsContact CE1-NZ 3.28Å; F334-K351 HydrophobicContact CZ-CD 4.48Å; F334-K351 VanDerWaalsContact CZ-NZ 3.33Å; K351-I353 HydrophobicContact CD-CD1 4.32Å; K351-I353 HydrophobicContact CG-CD1 4.34Å; K351-I353 HydrophobicContact CG-CG1 4.26Å
352	V	96.5	Very high	85.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	119.5	-179.6	-175.7	0	0	0	0	108.3	I134 I172 Q175 V179 I186 V187 I189 I350	I134-V352 HydrophobicContact CG2-CG1 3.65Å; I172-V352 HydrophobicContact CD1-CB 4.27Å; I172-V352 HydrophobicContact CD1-CG1 3.79Å; Q175-V352 HydrophobicContact CB-CG1 4.02Å; Q175-V352 HydrophobicContact CG-CG1 3.73Å; Q175-V352 HydrophobicContact CG-CG2 3.96Å; V179-V352 HydrophobicContact CG2-CG2 4.5Å; I186-V352 HydrophobicContact CD1-CG2 4.16Å; I186-V352 HydrophobicContact CG1-CG2 4.37Å; V187-V352 PolarHBondContact O-N 2.86Å; I189-V352 PolarHBondContact N-O 2.69Å; I350-V352 HydrophobicContact CG2-CG2 4.13Å
353	I	94.5	Very high	84.9	Confident	14 Å²	14	50.9 Å²	50.9	7%	0.072	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.1	179.6	-60.4	155.5	0	0	0	108.4	I134 K135 I189 K351 I357	I134-I353 CarbonylContact C-O 3.54Å; I134-I353 VanDerWaalsContact CA-O 3.31Å; I134-I353 WeakPolarHBondContact CA-O 3.33Å; K135-I353 HydrophobicContact CB-CB 4.36Å; K135-I353 PolarHBondContact N-O 2.89Å; K135-I353 PolarHBondContact O-N 2.86Å; I189-I353 HydrophobicContact CB-CG1 4.17Å; I189-I353 HydrophobicContact CD1-CD1 4.42Å; I189-I353 HydrophobicContact CD1-CG1 3.66Å; I189-I353 HydrophobicContact CG2-CG2 4.39Å; I189-I353 WeakPolarHBondContact O-CA 3.46Å; K351-I353 HydrophobicContact CD-CD1 4.32Å; K351-I353 HydrophobicContact CG-CD1 4.34Å; K351-I353 HydrophobicContact CG-CG1 4.26Å; I353-I357 HydrophobicContact CD1-CD1 4.1Å; I353-I357 HydrophobicContact CD1-CG1 4.48Å; I353-I357 HydrophobicContact CG2-CG1 3.94Å
354	Q	91	Very high	84.7	Confident	36 Å²	36	42.7 Å²	42.7	17%	0.168	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.2	167	-172.4	-169.3	-0	0	0	109.4	D133 P171 I189 A190	D133-Q354 WeakPolarHBondContact O-CA 3.28Å; P171-Q354 HydrophobicContact CB-CG 4.07Å; I189-Q354 PolarHBondContact O-N 2.69Å; A190-Q354 HydrophobicContact CB-CB 3.88Å
355	G	84.6	Confident	84.7	Confident	10 Å²	10	45.1 Å²	45.1	10%	0.103	25%	0.249	C	C	.	.	S	Bend	trans	82	-165.9	-178.1	0	0	0	0	0	114.1	D133 K135	D133-G355 PolarHBondContact O-N 2.96Å; D133-G355 WeakPolarHBondContact OD2-CA 3.48Å; K135-G355 PolarHBondContact NZ-O 3.36Å
356	E	74.6	Confident	84.8	Confident	135 Å²	135	45.3 Å²	45.3	63%	0.631	25%	0.25	S	C	*	.	S	Bend	trans	-88	152.5	158	-55.7	-158.3	162.6	0	0	111.5	G358 E359	E356-G358 PolarHBondContact O-N 3.02Å; E356-G358 VanDerWaalsContact O-N 3.11Å; E356-E359 HydrophobicContact CB-CG 3.83Å; E356-E359 PolarHBondContact N-OE2 2.85Å; E356-E359 PolarHBondContact O-N 2.64Å
357	I	67.2	Low	84.7	Confident	92 Å²	92	45.7 Å²	45.7	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	111.3	-170.9	-56.6	174.7	0	0	0	110.1	F334 I353	F334-I357 HydrophobicContact CB-CG2 3.88Å; I353-I357 HydrophobicContact CD1-CD1 4.1Å; I353-I357 HydrophobicContact CD1-CG1 4.48Å; I353-I357 HydrophobicContact CG2-CG1 3.94Å
358	G	59.6	Low	84.8	Confident	33 Å²	33	42 Å²	42	34%	0.34	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	14.6	178.8	0	0	0	0	0	114.9	E356	E356-G358 PolarHBondContact O-N 3.02Å; E356-G358 VanDerWaalsContact O-N 3.11Å
359	E	65.9	Low	84.9	Confident	58 Å²	58	40.9 Å²	40.9	27%	0.271	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-67.3	147.2	172.2	-71.9	-175	132.5	0	0	113.1	E356 A512	E356-E359 HydrophobicContact CB-CG 3.83Å; E356-E359 PolarHBondContact N-OE2 2.85Å; E356-E359 PolarHBondContact O-N 2.64Å; E359-A512 HydrophobicContact CG-CB 4.27Å
360	A	64.2	Low	84.8	Confident	5 Å²	5	41.5 Å²	41.5	4%	0.041	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-68.3	157.1	165.7	0	0	0	0	0	110.8	T362 V476 I479 V513	A360-T362 PolarHBondContact O-N 3.35Å; A360-V476 HydrophobicContact CB-CG2 4.48Å; A360-I479 HydrophobicContact CB-CD1 3.78Å; A360-V513 HydrophobicContact CB-CG1 3.96Å; A360-V513 VanDerWaalsContact O-CG1 3.3Å; A360-V513 WeakPolarHBondContact O-CG1 3.31Å
361	N	72.3	Confident	84.7	Confident	5 Å²	5	42.6 Å²	42.6	3%	0.027	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.4	121.5	175.3	-179.4	-0.8	0	0	0	110.8	K191 D363 I364 G483	K191-N361 HydrophobicContact CD-CB 4.08Å; K191-N361 WeakPolarHBondContact CE-OD1 3.28Å; K191-N361 PolarHBondContact NZ-OD1 2.72Å; N361-D363 PolarHBondContact O-N 3.35Å; N361-D363 VanDerWaalsContact O-N 3.1Å; N361-D363 WeakPolarHBondContact OD1-CB 3.38Å; N361-D363 VanDerWaalsContact OD1-CG 3.22Å; N361-D363 PolarHBondContact OD1-N 3.35Å; N361-D363 PolarHBondContact OD1-OD2 3.32Å; N361-I364 HydrophobicContact CB-CD1 3.75Å; N361-I364 HydrophobicContact CB-CG1 4.04Å; N361-I364 WeakPolarHBondContact O-CB 3.33Å; N361-I364 PolarHBondContact O-N 3.07Å; N361-I364 VanDerWaalsContact O-N 3.09Å; N361-G483 PolarHBondContact ND2-O 2.82Å
362	T	78.5	Confident	84.3	Confident	88 Å²	88	46.3 Å²	46.3	54%	0.54	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-26.9	174	50.2	0	0	0	0	115	K191 A360 I364	K191-T362 PolarHBondContact NZ-OG1 2.92Å; A360-T362 PolarHBondContact O-N 3.35Å; T362-I364 PolarHBondContact O-N 3.38Å
363	D	83.8	Confident	83.9	Confident	54 Å²	54	48.7 Å²	48.7	29%	0.289	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.1	-174.5	-45.4	-33.2	0	0	0	111.4	K191 N361 K488 G489	K191-D363 IonicContact NZ-OD1 2.72Å; K191-D363 IonicContact NZ-OD2 3.72Å; K191-D363 PolarHBondContact NZ-OD2 3.43Å; N361-D363 PolarHBondContact O-N 3.35Å; N361-D363 VanDerWaalsContact O-N 3.1Å; N361-D363 WeakPolarHBondContact OD1-CB 3.38Å; N361-D363 VanDerWaalsContact OD1-CG 3.22Å; N361-D363 PolarHBondContact OD1-N 3.35Å; N361-D363 PolarHBondContact OD1-OD2 3.32Å; D363-K488 WeakPolarHBondContact O-CA 3.48Å; D363-G489 PolarHBondContact O-N 3.26Å
364	I	88.2	Confident	83.2	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.8	175.5	-52.6	171	0	0	0	109.7	N361 T362 Q366 I479 T482 G489 A491 Q515	N361-I364 HydrophobicContact CB-CD1 3.75Å; N361-I364 HydrophobicContact CB-CG1 4.04Å; N361-I364 WeakPolarHBondContact O-CB 3.33Å; N361-I364 PolarHBondContact O-N 3.07Å; N361-I364 VanDerWaalsContact O-N 3.09Å; T362-I364 PolarHBondContact O-N 3.38Å; I364-Q366 HydrophobicContact CG2-CG 4.28Å; I364-Q366 PolarHBondContact O-N 3.21Å; I364-I479 HydrophobicContact CD1-CB 4.24Å; I364-I479 HydrophobicContact CD1-CG1 4.03Å; I364-I479 WeakPolarHBondContact CD1-O 3.33Å; I364-T482 HydrophobicContact CG1-CG2 4.33Å; I364-T482 HydrophobicContact CG2-CG2 4.11Å; I364-G489 CarbonylContact C-O 3.6Å; I364-G489 WeakPolarHBondContact CA-O 3.31Å; I364-A491 HydrophobicContact CG2-CB 3.46Å; I364-A491 VanDerWaalsContact CG2-CB 3.46Å; I364-Q515 PolarHBondContact O-NE2 3.22Å
365	E	92.2	Very high	83.2	Confident	131 Å²	131	53 Å²	53	61%	0.612	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.5	166.2	-176	175.5	-165.5	0	0	109.7	G489 S490 A491	E365-G489 PolarHBondContact N-O 2.98Å; E365-S490 CarbonylContact O-C 3.59Å; E365-S490 WeakPolarHBondContact O-CA 3.42Å; E365-A491 PolarHBondContact O-N 3.24Å
366	Q	93.8	Very high	83.6	Confident	13 Å²	13	53.4 Å²	53.4	6%	0.061	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	177.6	-63.8	162.9	77.6	0	0	110.9	I364 I479 A491 S509 L510 V513 Q515	I364-Q366 HydrophobicContact CG2-CG 4.28Å; I364-Q366 PolarHBondContact O-N 3.21Å; Q366-I479 HydrophobicContact CG-CD1 3.95Å; Q366-A491 WeakPolarHBondContact CA-O 3.33Å; Q366-A491 HydrophobicContact CG-CB 4.43Å; Q366-S509 PolarHBondContact OE1-OG 3.37Å; Q366-L510 HydrophobicContact CB-CD2 3.6Å; Q366-V513 VanDerWaalsContact NE2-CG2 3.33Å; Q366-Q515 VanDerWaalsContact CB-OE1 3.26Å
367	A	94.2	Very high	84.5	Confident	29 Å²	29	47.5 Å²	47.5	24%	0.24	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	171.4	0	0	0	0	0	110	A491 Y492 T493	A367-A491 PolarHBondContact N-O 3.5Å; A367-Y492 HydrophobicContact CB-CD1 3.57Å; A367-Y492 HydrophobicContact CB-CE1 3.65Å; A367-Y492 HydrophobicContact CB-CG 4.47Å; A367-Y492 CarbonylContact O-C 3.56Å; A367-Y492 WeakPolarHBondContact O-CA 3.41Å; A367-T493 PolarHBondContact O-N 3.25Å
368	V	95.4	Very high	85.8	Confident	8 Å²	8	45.5 Å²	45.5	5%	0.048	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	116.1	-177.1	-174.9	0	0	0	0	109.9	V495 L506 L510 P518 L521	V368-V495 HydrophobicContact CG1-CB 4.39Å; V368-V495 HydrophobicContact CG1-CG2 3.48Å; V368-V495 VanDerWaalsContact CG1-CG2 3.48Å; V368-L506 HydrophobicContact CG1-CD1 3.97Å; V368-L510 HydrophobicContact CG2-CD1 3.94Å; V368-P518 WeakPolarHBondContact O-CG 3.2Å; V368-L521 HydrophobicContact CB-CD2 3.93Å; V368-L521 HydrophobicContact CG1-CD1 3.74Å; V368-L521 HydrophobicContact CG1-CD2 3.8Å; V368-L521 HydrophobicContact CG1-CG 4.23Å; V368-L521 HydrophobicContact CG2-CD2 4.18Å
369	E	95.7	Very high	87.5	Confident	70 Å²	70	49.2 Å²	49.2	33%	0.327	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.9	-169.7	-64.5	-78	-158.1	0	0	108.8	L371 W380 T493 L494 V495	E369-L371 HydrophobicContact CB-CG 4.48Å; E369-W380 VanDerWaalsContact CD-NE1 3.34Å; E369-W380 HydrophobicContact CG-CZ2 3.91Å; E369-W380 PolarHBondContact OE1-NE1 3.29Å; E369-W380 VanDerWaalsContact OE1-NE1 3.11Å; E369-T493 PolarHBondContact N-O 3.35Å; E369-L494 HydrophobicContact CB-CD2 3.88Å; E369-L494 HydrophobicContact CG-CD2 4.26Å; E369-V495 PolarHBondContact O-N 2.78Å
370	V	95.1	Very high	88.9	Confident	49 Å²	49	47.8 Å²	47.8	30%	0.297	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	106	178.7	-178.4	0	0	0	0	109	V495 A520 L521 L524	V370-V495 CarbonylContact C-O 3.55Å; V370-V495 WeakPolarHBondContact CA-O 3.47Å; V370-V495 HydrophobicContact CG2-CB 4.32Å; V370-V495 HydrophobicContact CG2-CG1 4.38Å; V370-A520 HydrophobicContact CB-CB 3.92Å; V370-A520 HydrophobicContact CG1-CB 4.29Å; V370-A520 HydrophobicContact CG2-CB 4.17Å; V370-L521 HydrophobicContact CG2-CB 3.93Å; V370-L521 HydrophobicContact CG2-CD1 4.28Å; V370-L524 HydrophobicContact CG1-CD2 4.19Å
371	L	94.5	Very high	90.4	Very high	23 Å²	23	47.5 Å²	47.5	12%	0.12	28%	0.28	C	S	.	.			trans	-105.5	142.4	-172.5	-62.9	173.2	0	0	0	110.6	E369 A373 A376 K377 W380 L494 V495	E369-L371 HydrophobicContact CB-CG 4.48Å; L371-A373 VanDerWaalsContact C-N 3.34Å; L371-A373 PolarHBondContact O-N 3.38Å; L371-A376 HydrophobicContact CB-CB 4.13Å; L371-K377 HydrophobicContact CD1-CB 4.44Å; L371-K377 HydrophobicContact CD1-CG 4.11Å; L371-W380 HydrophobicContact CD1-CB 4.02Å; L371-W380 HydrophobicContact CD1-CG 4.37Å; L371-W380 HydrophobicContact CD2-CB 4.39Å; L371-L494 HydrophobicContact CD1-CB 4.23Å; L371-L494 HydrophobicContact CD1-CD2 4.3Å; L371-V495 PolarHBondContact N-O 3.04Å
372	P	88.9	Confident	91.4	Very high	118 Å²	118	48.1 Å²	48.1	77%	0.766	28%	0.284	S	S	*	.	S	Bend	trans	-69.8	-27.4	-169.5	26.7	-35.5	0	0	0	114	A376	P372-A376 HydrophobicContact CG-CB 4.33Å
373	A	86.9	Confident	92.1	Very high	50 Å²	50	53.3 Å²	53.3	41%	0.413	30%	0.295	S	S	.	.	S	Bend	trans	-155.2	161.7	-178	0	0	0	0	0	111.5	L371 A376	L371-A373 VanDerWaalsContact C-N 3.34Å; L371-A373 PolarHBondContact O-N 3.38Å; A373-A376 WeakPolarHBondContact O-CB 3.36Å; A373-A376 PolarHBondContact O-N 2.7Å
374	G	81.7	Confident	92.7	Very high	39 Å²	39	51.9 Å²	51.9	40%	0.402	29%	0.288	S	S	.	.	H	α-helix	trans	-49.1	-49	178.3	0	0	0	0	0	114.8	A376 K377	G374-A376 PolarHBondContact O-N 2.85Å; G374-A376 VanDerWaalsContact O-N 3.13Å; G374-K377 VanDerWaalsContact O-CB 3.27Å; G374-K377 WeakPolarHBondContact O-CB 3.33Å; G374-K377 WeakPolarHBondContact O-CG 3.37Å; G374-K377 PolarHBondContact O-N 2.92Å
375	P	89.8	Confident	93	Very high	101 Å²	101	51.9 Å²	51.9	66%	0.656	29%	0.288	S	S	*	.	H	α-helix	trans	-60.2	-22.8	178.6	-27.2	36.6	0	0	0	114.9	K377 W378 L379	P375-K377 VanDerWaalsContact C-N 3.25Å; P375-K377 PolarHBondContact O-N 2.59Å; P375-W378 PolarHBondContact O-N 3.44Å; P375-L379 PolarHBondContact O-N 3.35Å
376	A	92.7	Very high	93	Very high	20 Å²	20	50.2 Å²	50.2	17%	0.165	29%	0.287	C	S	.	.	H	α-helix	trans	-69.4	-23.1	175.2	0	0	0	0	0	112.4	L371 P372 A373 G374 W378 L379 W380	L371-A376 HydrophobicContact CB-CB 4.13Å; P372-A376 HydrophobicContact CG-CB 4.33Å; A373-A376 WeakPolarHBondContact O-CB 3.36Å; A373-A376 PolarHBondContact O-N 2.7Å; G374-A376 PolarHBondContact O-N 2.85Å; G374-A376 VanDerWaalsContact O-N 3.13Å; A376-W378 VanDerWaalsContact C-N 3.33Å; A376-W378 PolarHBondContact O-N 2.7Å; A376-L379 PolarHBondContact O-N 3.35Å; A376-W380 WeakPolarHBondContact O-CB 3.43Å; A376-W380 PolarHBondContact O-N 3.47Å
377	K	94.4	Very high	93	Very high	11 Å²	11	55.5 Å²	55.5	5%	0.048	31%	0.309	C	S	.	.	H	α-helix	trans	-60	-43.2	172.4	-62.5	-172.8	172.8	-164.4	0	111.5	L371 G374 P375 L381 Y466 D467 L494 T496	L371-K377 HydrophobicContact CD1-CB 4.44Å; L371-K377 HydrophobicContact CD1-CG 4.11Å; G374-K377 VanDerWaalsContact O-CB 3.27Å; G374-K377 WeakPolarHBondContact O-CB 3.33Å; G374-K377 WeakPolarHBondContact O-CG 3.37Å; G374-K377 PolarHBondContact O-N 2.92Å; P375-K377 VanDerWaalsContact C-N 3.25Å; P375-K377 PolarHBondContact O-N 2.59Å; K377-L381 VanDerWaalsContact O-CB 3.27Å; K377-L381 WeakPolarHBondContact O-CB 3.45Å; K377-L381 PolarHBondContact O-N 2.87Å; K377-Y466 HydrophobicContact CB-CD2 4.3Å; K377-Y466 HydrophobicContact CB-CE1 4.31Å; K377-Y466 HydrophobicContact CB-CE2 3.61Å; K377-Y466 HydrophobicContact CD-CD1 4.44Å; K377-Y466 HydrophobicContact CD-CE1 4.23Å; K377-Y466 VanDerWaalsContact CD-O 3.32Å; K377-Y466 WeakPolarHBondContact CD-O 3.24Å; K377-Y466 WeakPolarHBondContact CE-O 3.4Å; K377-Y466 PolarHBondContact NZ-O 2.79Å; K377-D467 IonicContact NZ-OD1 3.79Å; K377-D467 PolarHBondContact NZ-OD1 2.84Å; K377-L494 HydrophobicContact CB-CD1 4.05Å; K377-L494 HydrophobicContact CD-CB 4.31Å; K377-L494 HydrophobicContact CG-CB 4.15Å; K377-L494 HydrophobicContact CG-CD1 4.4Å; K377-T496 HydrophobicContact CG-CG2 4.43Å
378	W	94.4	Very high	93	Very high	49 Å²	49	54.4 Å²	54.4	19%	0.186	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-43.4	178.7	172.9	-115.5	0	0	0	112.6	P375 A376 L381 T382 L407 N410 L411 Y466	P375-W378 PolarHBondContact O-N 3.44Å; A376-W378 VanDerWaalsContact C-N 3.33Å; A376-W378 PolarHBondContact O-N 2.7Å; W378-L381 PolarHBondContact O-N 2.79Å; W378-T382 HydrophobicContact CD2-CG2 3.98Å; W378-T382 HydrophobicContact CE3-CG2 3.93Å; W378-T382 HydrophobicContact CH2-CG2 3.6Å; W378-T382 HydrophobicContact CZ2-CG2 3.7Å; W378-T382 HydrophobicContact CZ3-CG2 3.74Å; W378-T382 PolarHBondContact O-N 2.99Å; W378-T382 PolarHBondContact O-OG1 3.16Å; W378-L407 HydrophobicContact CE3-CD1 3.86Å; W378-L407 HydrophobicContact CZ3-CD1 3.83Å; W378-N410 HydrophobicContact CH2-CB 3.68Å; W378-N410 WeakPolarHBondContact CH2-O 3.38Å; W378-N410 HydrophobicContact CZ2-CB 4.24Å; W378-N410 HydrophobicContact CZ3-CB 3.99Å; W378-L411 HydrophobicContact CH2-CD2 3.85Å; W378-L411 HydrophobicContact CH2-CG 4.28Å; W378-L411 HydrophobicContact CZ3-CD2 3.6Å; W378-L411 HydrophobicContact CZ3-CG 3.93Å; W378-Y466 PolarHBondContact N-OH 2.86Å
379	L	94.3	Very high	92.8	Very high	111 Å²	111	55.9 Å²	55.9	58%	0.581	31%	0.309	S	S	*	.	H	α-helix	trans	-64.5	-47.8	176	-64.8	176	0	0	0	111.4	P375 A376 L381 T382 Y383	P375-L379 PolarHBondContact O-N 3.35Å; A376-L379 PolarHBondContact O-N 3.35Å; L379-L381 VanDerWaalsContact C-N 3.34Å; L379-L381 PolarHBondContact O-N 2.94Å; L379-T382 PolarHBondContact O-OG1 3.3Å; L379-Y383 VanDerWaalsContact O-CB 3.26Å; L379-Y383 WeakPolarHBondContact O-CB 3.44Å; L379-Y383 PolarHBondContact O-N 3.33Å
380	W	96.1	Very high	92.6	Very high	28 Å²	28	57.2 Å²	57.2	11%	0.106	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-44.5	176.2	-176.9	101.7	0	0	0	111.5	E369 L371 A376 N384 F388 V464 Y492 L494	E369-W380 VanDerWaalsContact CD-NE1 3.34Å; E369-W380 HydrophobicContact CG-CZ2 3.91Å; E369-W380 PolarHBondContact OE1-NE1 3.29Å; E369-W380 VanDerWaalsContact OE1-NE1 3.11Å; L371-W380 HydrophobicContact CD1-CB 4.02Å; L371-W380 HydrophobicContact CD1-CG 4.37Å; L371-W380 HydrophobicContact CD2-CB 4.39Å; A376-W380 WeakPolarHBondContact O-CB 3.43Å; A376-W380 PolarHBondContact O-N 3.47Å; W380-N384 HydrophobicContact CH2-CB 4.38Å; W380-N384 HydrophobicContact CZ3-CB 4.46Å; W380-N384 PolarHBondContact O-N 2.64Å; W380-N384 PolarHBondContact O-ND2 3.47Å; W380-F388 AromaticContact CH2-CE2 3.61Å; W380-F388 HydrophobicContact CH2-CE2 3.61Å; W380-F388 AromaticContact CH2-CZ 3.56Å; W380-F388 HydrophobicContact CH2-CZ 3.56Å; W380-F388 HydrophobicContact CZ2-CZ 4.21Å; W380-F388 AromaticContact CZ3-CE2 3.9Å; W380-F388 HydrophobicContact CZ3-CE2 3.9Å; W380-F388 HydrophobicContact CZ3-CZ 4.3Å; W380-V464 HydrophobicContact CZ3-CG1 4.03Å; W380-Y492 AromaticContact CH2-CD1 3.66Å; W380-Y492 HydrophobicContact CH2-CD1 3.66Å; W380-Y492 HydrophobicContact CH2-CD2 4.28Å; W380-Y492 HydrophobicContact CH2-CE1 4.48Å; W380-Y492 AromaticContact CH2-CG 3.55Å; W380-Y492 HydrophobicContact CH2-CG 3.55Å; W380-Y492 AromaticContact CZ2-CD1 3.56Å; W380-Y492 HydrophobicContact CZ2-CD1 3.56Å; W380-Y492 HydrophobicContact CZ2-CE1 4.22Å; W380-Y492 AromaticContact CZ2-CG 3.98Å; W380-Y492 HydrophobicContact CZ2-CG 3.98Å; W380-L494 HydrophobicContact CD2-CD1 4.45Å; W380-L494 HydrophobicContact CD2-CD2 3.65Å; W380-L494 HydrophobicContact CE3-CD1 3.74Å; W380-L494 HydrophobicContact CE3-CD2 3.46Å; W380-L494 VanDerWaalsContact CE3-CD2 3.46Å; W380-L494 HydrophobicContact CE3-CG 4.21Å; W380-L494 HydrophobicContact CG-CD2 4.32Å; W380-L494 HydrophobicContact CH2-CD2 4.1Å; W380-L494 HydrophobicContact CZ2-CD2 4.23Å; W380-L494 HydrophobicContact CZ3-CD1 4.25Å; W380-L494 HydrophobicContact CZ3-CD2 3.72Å; W380-L494 HydrophobicContact CZ3-CG 4.46Å
381	L	95.6	Very high	92.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-57.7	-179.4	177.8	68	0	0	0	110.2	K377 W378 L379 Y383 N384 L385 I396 L407 L411 V464 Y466	K377-L381 VanDerWaalsContact O-CB 3.27Å; K377-L381 WeakPolarHBondContact O-CB 3.45Å; K377-L381 PolarHBondContact O-N 2.87Å; W378-L381 PolarHBondContact O-N 2.79Å; L379-L381 VanDerWaalsContact C-N 3.34Å; L379-L381 PolarHBondContact O-N 2.94Å; L381-Y383 VanDerWaalsContact C-N 3.27Å; L381-Y383 PolarHBondContact O-N 3.28Å; L381-N384 PolarHBondContact O-N 3.46Å; L381-N384 VanDerWaalsContact O-N 3.11Å; L381-L385 HydrophobicContact CD1-CD1 4.48Å; L381-L385 VanDerWaalsContact O-CB 3.26Å; L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 PolarHBondContact O-N 3.39Å; L381-I396 HydrophobicContact CD1-CD1 4.02Å; L381-I396 HydrophobicContact CD2-CD1 4.3Å; L381-L407 HydrophobicContact CD2-CD1 3.91Å; L381-L407 HydrophobicContact CD2-CD2 4.3Å; L381-L407 HydrophobicContact CD2-CG 4.49Å; L381-L411 HydrophobicContact CD2-CD1 4.37Å; L381-L411 HydrophobicContact CD2-CD2 4.24Å; L381-V464 HydrophobicContact CD1-CG1 4.18Å; L381-Y466 HydrophobicContact CB-CD2 4.37Å; L381-Y466 HydrophobicContact CB-CE2 4.16Å; L381-Y466 HydrophobicContact CD2-CD2 3.89Å; L381-Y466 HydrophobicContact CD2-CE2 3.88Å
382	T	93.8	Very high	92.1	Very high	18 Å²	18	59.4 Å²	59.4	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-28.8	-174.8	53.1	0	0	0	0	113.4	W378 L379 L411 R414	W378-T382 HydrophobicContact CD2-CG2 3.98Å; W378-T382 HydrophobicContact CE3-CG2 3.93Å; W378-T382 HydrophobicContact CH2-CG2 3.6Å; W378-T382 HydrophobicContact CZ2-CG2 3.7Å; W378-T382 HydrophobicContact CZ3-CG2 3.74Å; W378-T382 PolarHBondContact O-N 2.99Å; W378-T382 PolarHBondContact O-OG1 3.16Å; L379-T382 PolarHBondContact O-OG1 3.3Å; T382-L411 HydrophobicContact CG2-CD2 4.08Å; T382-R414 PolarHBondContact OG1-NH1 3.05Å; T382-R414 VanDerWaalsContact OG1-NH1 3.07Å
383	Y	93.8	Very high	92.3	Very high	196 Å²	196	54 Å²	54	77%	0.769	31%	0.31	S	S	*	.	H	α-helix	trans	-67.6	-40.6	172.2	-176.1	-96.2	0	0	0	113	L379 L381	L379-Y383 VanDerWaalsContact O-CB 3.26Å; L379-Y383 WeakPolarHBondContact O-CB 3.44Å; L379-Y383 PolarHBondContact O-N 3.33Å; L381-Y383 VanDerWaalsContact C-N 3.27Å; L381-Y383 PolarHBondContact O-N 3.28Å
384	N	95.6	Very high	92.7	Very high	25 Å²	25	51.7 Å²	51.7	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-90.1	-21.3	-177.2	-70.9	-80.4	0	0	0	114.1	W380 L381 V386 K387 F388	W380-N384 HydrophobicContact CH2-CB 4.38Å; W380-N384 HydrophobicContact CZ3-CB 4.46Å; W380-N384 PolarHBondContact O-N 2.64Å; W380-N384 PolarHBondContact O-ND2 3.47Å; L381-N384 PolarHBondContact O-N 3.46Å; L381-N384 VanDerWaalsContact O-N 3.11Å; N384-V386 VanDerWaalsContact C-N 3.32Å; N384-V386 PolarHBondContact O-N 2.79Å; N384-K387 WeakPolarHBondContact O-CB 3.18Å; N384-K387 PolarHBondContact O-N 3.01Å; N384-F388 HydrophobicContact CB-CD2 4.11Å; N384-F388 HydrophobicContact CB-CE1 4.21Å; N384-F388 HydrophobicContact CB-CE2 3.48Å; N384-F388 VanDerWaalsContact CB-CE2 3.48Å; N384-F388 HydrophobicContact CB-CZ 3.54Å; N384-F388 WeakPolarHBondContact O-CG 3.2Å; N384-F388 PolarHBondContact O-N 3.17Å
385	L	93.7	Very high	93.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-37.1	-169.4	-170.4	57.6	0	0	0	113.4	L381 F388 C389 V394 I396 L411 F416 I444	L381-L385 HydrophobicContact CD1-CD1 4.48Å; L381-L385 VanDerWaalsContact O-CB 3.26Å; L381-L385 WeakPolarHBondContact O-CB 3.46Å; L381-L385 PolarHBondContact O-N 3.39Å; L385-F388 PolarHBondContact O-N 3.5Å; L385-C389 WeakPolarHBondContact O-CB 3.37Å; L385-C389 PolarHBondContact O-N 2.98Å; L385-C389 PolarHBondContact O-SG 3.28Å; L385-V394 HydrophobicContact CD1-CB 4.4Å; L385-V394 HydrophobicContact CD1-CG1 4.08Å; L385-V394 HydrophobicContact CD1-CG2 4.34Å; L385-I396 HydrophobicContact CD1-CD1 4.26Å; L385-L411 HydrophobicContact CD2-CD1 4.27Å; L385-L411 HydrophobicContact CD2-CD2 3.57Å; L385-F416 HydrophobicContact CB-CE1 3.99Å; L385-F416 HydrophobicContact CB-CZ 4.15Å; L385-F416 HydrophobicContact CD2-CD1 3.69Å; L385-F416 HydrophobicContact CD2-CD2 4.2Å; L385-F416 HydrophobicContact CD2-CE1 3.72Å; L385-F416 HydrophobicContact CD2-CE2 4.23Å; L385-F416 HydrophobicContact CD2-CG 3.94Å; L385-F416 HydrophobicContact CD2-CZ 4Å; L385-F416 HydrophobicContact CG-CD1 3.99Å; L385-F416 HydrophobicContact CG-CE1 3.73Å; L385-F416 HydrophobicContact CG-CZ 4.26Å; L385-I444 HydrophobicContact CD1-CD1 4.04Å; L385-I444 HydrophobicContact CD1-CG1 4.1Å; L385-I444 HydrophobicContact CD2-CD1 3.87Å; L385-I444 HydrophobicContact CG-CD1 3.97Å
386	V	92.9	Very high	93.7	Very high	97 Å²	97	45 Å²	45	59%	0.588	24%	0.24	S	C	*	.	H	α-helix	trans	-61	-46.1	175.1	-177.4	0	0	0	0	111.1	N384 F388 C389 S390 F416	N384-V386 VanDerWaalsContact C-N 3.32Å; N384-V386 PolarHBondContact O-N 2.79Å; V386-F388 PolarHBondContact O-N 3.46Å; V386-C389 PolarHBondContact O-N 2.79Å; V386-S390 PolarHBondContact O-N 3.42Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 3.05Å; V386-F416 HydrophobicContact CG2-CE1 3.92Å; V386-F416 HydrophobicContact CG2-CZ 3.9Å
387	K	94	Very high	93.8	Very high	124 Å²	124	44.1 Å²	44.1	54%	0.539	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-41.2	176.8	178.3	-170.9	171.8	-168.5	0	111.4	N384 S390 V391	N384-K387 WeakPolarHBondContact O-CB 3.18Å; N384-K387 PolarHBondContact O-N 3.01Å; K387-S390 PolarHBondContact O-N 3.39Å; K387-S390 PolarHBondContact O-OG 2.97Å; K387-V391 PolarHBondContact O-N 3.1Å
388	F	94.5	Very high	93.8	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-44.6	177.2	-59.2	-30.8	0	0	0	111.7	W380 N384 L385 V386 S390 V391 G392 V394 T462 V464 Y492	W380-F388 AromaticContact CH2-CE2 3.61Å; W380-F388 HydrophobicContact CH2-CE2 3.61Å; W380-F388 AromaticContact CH2-CZ 3.56Å; W380-F388 HydrophobicContact CH2-CZ 3.56Å; W380-F388 HydrophobicContact CZ2-CZ 4.21Å; W380-F388 AromaticContact CZ3-CE2 3.9Å; W380-F388 HydrophobicContact CZ3-CE2 3.9Å; W380-F388 HydrophobicContact CZ3-CZ 4.3Å; N384-F388 HydrophobicContact CB-CD2 4.11Å; N384-F388 HydrophobicContact CB-CE1 4.21Å; N384-F388 HydrophobicContact CB-CE2 3.48Å; N384-F388 VanDerWaalsContact CB-CE2 3.48Å; N384-F388 HydrophobicContact CB-CZ 3.54Å; N384-F388 WeakPolarHBondContact O-CG 3.2Å; N384-F388 PolarHBondContact O-N 3.17Å; L385-F388 PolarHBondContact O-N 3.5Å; V386-F388 PolarHBondContact O-N 3.46Å; F388-S390 PolarHBondContact O-N 3.05Å; F388-V391 PolarHBondContact O-N 2.71Å; F388-G392 PolarHBondContact O-N 2.89Å; F388-G392 VanDerWaalsContact O-N 3.11Å; F388-G392 VanDerWaalsContact O-O 3.1Å; F388-V394 HydrophobicContact CB-CG2 3.59Å; F388-T462 HydrophobicContact CB-CG2 4.32Å; F388-T462 HydrophobicContact CD1-CG2 4.06Å; F388-T462 HydrophobicContact CD2-CG2 4.07Å; F388-T462 HydrophobicContact CE1-CG2 4.37Å; F388-T462 HydrophobicContact CE2-CG2 4.37Å; F388-T462 HydrophobicContact CG-CG2 3.91Å; F388-V464 HydrophobicContact CD2-CG2 4.25Å; F388-V464 HydrophobicContact CE2-CG2 4.06Å; F388-Y492 HydrophobicContact CD1-CE2 4.2Å; F388-Y492 AromaticContact CE1-CD2 3.93Å; F388-Y492 HydrophobicContact CE1-CD2 3.93Å; F388-Y492 HydrophobicContact CE1-CE1 4.47Å; F388-Y492 AromaticContact CE1-CE2 3.29Å; F388-Y492 HydrophobicContact CE1-CE2 3.29Å; F388-Y492 AromaticContact CE1-CZ 3.63Å; F388-Y492 HydrophobicContact CE2-CD2 4.15Å; F388-Y492 HydrophobicContact CE2-CE2 4.35Å; F388-Y492 HydrophobicContact CZ-CD1 4.33Å; F388-Y492 AromaticContact CZ-CD2 3.52Å; F388-Y492 HydrophobicContact CZ-CD2 3.52Å; F388-Y492 HydrophobicContact CZ-CE1 4.22Å; F388-Y492 AromaticContact CZ-CE2 3.37Å; F388-Y492 HydrophobicContact CZ-CE2 3.37Å; F388-Y492 HydrophobicContact CZ-CG 4.02Å; F388-Y492 AromaticContact CZ-CZ 3.76Å
389	C	91.4	Very high	93.6	Very high	39 Å²	39	43.7 Å²	43.7	26%	0.264	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-27.5	177.2	-64	0	0	0	0	113.4	L385 V386 V391 I444	L385-C389 WeakPolarHBondContact O-CB 3.37Å; L385-C389 PolarHBondContact O-N 2.98Å; L385-C389 PolarHBondContact O-SG 3.28Å; V386-C389 PolarHBondContact O-N 2.79Å; C389-V391 VanDerWaalsContact C-N 3.31Å; C389-I444 VanDerWaalsContact SG-CG1 3.56Å
390	S	90.5	Very high	93.4	Very high	98 Å²	98	43.6 Å²	43.6	69%	0.685	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-12.3	172.6	61.4	0	0	0	0	114.9	V386 K387 F388	V386-S390 PolarHBondContact O-N 3.42Å; V386-S390 VanDerWaalsContact O-N 3.09Å; V386-S390 PolarHBondContact O-OG 3.05Å; K387-S390 PolarHBondContact O-N 3.39Å; K387-S390 PolarHBondContact O-OG 2.97Å; F388-S390 PolarHBondContact O-N 3.05Å
391	V	89.5	Confident	93.1	Very high	96 Å²	96	45.2 Å²	45.2	58%	0.582	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-32.7	175	175.4	0	0	0	0	111.3	K387 F388 C389 K461	K387-V391 PolarHBondContact O-N 3.1Å; F388-V391 PolarHBondContact O-N 2.71Å; C389-V391 VanDerWaalsContact C-N 3.31Å; V391-K461 HydrophobicContact CG1-CB 4.11Å
392	G	90.4	Very high	92.9	Very high	23 Å²	23	51 Å²	51	24%	0.237	27%	0.273	C	S	.	.	S	Bend	trans	160.9	-156.4	176.3	0	0	0	0	0	111.9	F388	F388-G392 PolarHBondContact O-N 2.89Å; F388-G392 VanDerWaalsContact O-N 3.11Å; F388-G392 VanDerWaalsContact O-O 3.1Å
393	K	92.8	Very high	92.8	Very high	5 Å²	5	54 Å²	54	2%	0.022	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.6	-175.8	-55.5	-176.5	-164.5	160.4	0	112.7	F437 R438 E440 P443 S459 K461 T462	K393-F437 HydrophobicContact CB-CE2 3.85Å; K393-F437 HydrophobicContact CB-CZ 3.71Å; K393-F437 HydrophobicContact CD-CD2 4.43Å; K393-F437 HydrophobicContact CD-CE1 4.45Å; K393-F437 HydrophobicContact CD-CE2 4.21Å; K393-F437 HydrophobicContact CD-CZ 4.24Å; K393-F437 VanDerWaalsContact CD-O 3.25Å; K393-F437 WeakPolarHBondContact CD-O 3.31Å; K393-F437 VanDerWaalsContact CE-O 3.3Å; K393-F437 WeakPolarHBondContact CE-O 3.46Å; K393-F437 HydrophobicContact CG-CE2 4.43Å; K393-F437 PolarHBondContact NZ-O 3.18Å; K393-R438 PolarHBondContact NZ-O 3.33Å; K393-E440 WeakPolarHBondContact CE-OE1 3.37Å; K393-E440 IonicContact NZ-OE1 3.77Å; K393-E440 PolarHBondContact NZ-OE1 2.95Å; K393-P443 VanDerWaalsContact CA-O 3.32Å; K393-P443 WeakPolarHBondContact CA-O 3.48Å; K393-S459 WeakPolarHBondContact CB-O 3.32Å; K393-S459 WeakPolarHBondContact CD-OG 3.41Å; K393-S459 WeakPolarHBondContact CE-OG 3.37Å; K393-S459 PolarHBondContact N-O 2.96Å; K393-S459 PolarHBondContact NZ-OG 3.08Å; K393-K461 PolarHBondContact O-N 3.17Å; K393-T462 PolarHBondContact O-N 3.3Å; K393-T462 VanDerWaalsContact O-N 3.16Å
394	V	95	Very high	92.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.3	-174.8	-167.7	0	0	0	0	110.2	L385 F388 I396 P443 I444 L445 T462 V464	L385-V394 HydrophobicContact CD1-CB 4.4Å; L385-V394 HydrophobicContact CD1-CG1 4.08Å; L385-V394 HydrophobicContact CD1-CG2 4.34Å; F388-V394 HydrophobicContact CB-CG2 3.59Å; V394-I396 HydrophobicContact CG1-CG1 4.02Å; V394-P443 PolarHBondContact N-O 2.88Å; V394-I444 HydrophobicContact CB-CG1 4.4Å; V394-I444 WeakPolarHBondContact O-CA 3.26Å; V394-L445 PolarHBondContact O-N 3.11Å; V394-T462 WeakPolarHBondContact CA-O 3.33Å; V394-T462 HydrophobicContact CG1-CG2 4.47Å; V394-V464 HydrophobicContact CG1-CG2 4.05Å
395	L	95.1	Very high	92.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.8	171.6	175	57.5	0	0	0	110	F397 L445 A447 I460 T462 V463 V464 R481	L395-F397 HydrophobicContact CD2-CD2 4.39Å; L395-F397 HydrophobicContact CD2-CE2 3.54Å; L395-F397 HydrophobicContact CD2-CZ 3.8Å; L395-F397 HydrophobicContact CG-CD2 4.17Å; L395-F397 HydrophobicContact CG-CE2 3.8Å; L395-F397 HydrophobicContact CG-CZ 4.32Å; L395-L445 CarbonylContact C-O 3.55Å; L395-L445 WeakPolarHBondContact CA-O 3.44Å; L395-L445 HydrophobicContact CD1-CB 4.07Å; L395-L445 HydrophobicContact CD1-CD2 3.95Å; L395-L445 HydrophobicContact CD1-CG 3.85Å; L395-L445 WeakPolarHBondContact CD1-O 3.34Å; L395-A447 HydrophobicContact CD1-CB 4.04Å; L395-I460 HydrophobicContact CB-CD1 4.26Å; L395-I460 HydrophobicContact CB-CG2 4.05Å; L395-I460 HydrophobicContact CD2-CD1 4Å; L395-T462 PolarHBondContact N-O 3.22Å; L395-V463 CarbonylContact O-C 3.55Å; L395-V463 WeakPolarHBondContact O-CA 3.48Å; L395-V464 PolarHBondContact O-N 3.5Å; L395-R481 HydrophobicContact CD2-CB 3.68Å; L395-R481 HydrophobicContact CD2-CG 3.72Å
396	I	96.5	Very high	92.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114	-178	-51.7	174.7	0	0	0	109.1	L381 L385 V394 V398 L407 L411 I444 L445 V446 A447 V464	L381-I396 HydrophobicContact CD1-CD1 4.02Å; L381-I396 HydrophobicContact CD2-CD1 4.3Å; L385-I396 HydrophobicContact CD1-CD1 4.26Å; V394-I396 HydrophobicContact CG1-CG1 4.02Å; I396-V398 HydrophobicContact CG2-CG2 4.46Å; I396-L407 HydrophobicContact CG2-CD2 3.85Å; I396-L411 HydrophobicContact CD1-CD1 3.97Å; I396-I444 HydrophobicContact CD1-CG2 3.61Å; I396-I444 HydrophobicContact CG1-CG2 4.24Å; I396-L445 PolarHBondContact N-O 3.47Å; I396-V446 HydrophobicContact CB-CG2 4.19Å; I396-V446 HydrophobicContact CD1-CG2 4.13Å; I396-V446 WeakPolarHBondContact O-CA 3.49Å; I396-A447 PolarHBondContact O-N 3.3Å; I396-V464 CarbonylContact C-O 3.57Å; I396-V464 WeakPolarHBondContact CA-O 3.46Å; I396-V464 HydrophobicContact CG1-CB 4.39Å; I396-V464 HydrophobicContact CG2-CB 4.49Å
397	F	96.4	Very high	92.9	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.009	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.3	176.6	-81	-81.3	0	0	0	112.1	L395 A447 A452 V463 V464 Y466 D467 R478 R481	L395-F397 HydrophobicContact CD2-CD2 4.39Å; L395-F397 HydrophobicContact CD2-CE2 3.54Å; L395-F397 HydrophobicContact CD2-CZ 3.8Å; L395-F397 HydrophobicContact CG-CD2 4.17Å; L395-F397 HydrophobicContact CG-CE2 3.8Å; L395-F397 HydrophobicContact CG-CZ 4.32Å; F397-A447 WeakPolarHBondContact CA-O 3.34Å; F397-A452 HydrophobicContact CD1-CB 4.49Å; F397-A452 HydrophobicContact CE1-CB 3.57Å; F397-A452 HydrophobicContact CZ-CB 3.88Å; F397-V463 HydrophobicContact CD2-CG1 3.81Å; F397-V463 HydrophobicContact CE2-CG1 4.01Å; F397-V464 PolarHBondContact N-O 2.96Å; F397-Y466 WeakPolarHBondContact O-CB 3.37Å; F397-Y466 PolarHBondContact O-N 3.22Å; F397-D467 PolarHBondContact O-N 3.13Å; F397-R478 HydrophobicContact CD1-CG 3.76Å; F397-R478 HydrophobicContact CD2-CB 3.78Å; F397-R478 HydrophobicContact CD2-CG 3.86Å; F397-R478 HydrophobicContact CE1-CB 4.45Å; F397-R478 HydrophobicContact CE1-CG 3.76Å; F397-R478 HydrophobicContact CE2-CB 3.65Å; F397-R478 HydrophobicContact CE2-CG 3.87Å; F397-R478 HydrophobicContact CG-CB 4.24Å; F397-R478 HydrophobicContact CG-CG 3.8Å; F397-R478 HydrophobicContact CZ-CB 4.01Å; F397-R478 HydrophobicContact CZ-CG 3.82Å; F397-R481 HydrophobicContact CE2-CG 4.07Å; F397-R481 HydrophobicContact CZ-CG 3.93Å
398	V	94.3	Very high	93	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.3	175.9	-174.6	0	0	0	0	109.1	I396 H403 A404 L407 V446 A447 T448	I396-V398 HydrophobicContact CG2-CG2 4.46Å; V398-H403 HydrophobicContact CG1-CB 3.43Å; V398-H403 VanDerWaalsContact CG1-CB 3.43Å; V398-A404 HydrophobicContact CB-CB 4.07Å; V398-A404 HydrophobicContact CG1-CB 4.28Å; V398-L407 HydrophobicContact CG2-CD2 3.55Å; V398-V446 HydrophobicContact CG2-CG1 3.99Å; V398-A447 PolarHBondContact N-O 3.19Å; V398-T448 WeakPolarHBondContact O-CA 3.26Å
399	S	90	Very high	93.1	Very high	50 Å²	50	49.3 Å²	49.3	35%	0.35	26%	0.264	S	S	.	.	S	Bend	trans	-88.4	-8.1	-168.4	-68.8	0	0	0	0	114.7	D467 V468 R478	S399-D467 PolarHBondContact N-OD2 3.11Å; S399-D467 WeakPolarHBondContact OG-CB 3.46Å; S399-V468 PolarHBondContact OG-O 3.46Å; S399-R478 PolarHBondContact OG-NH2 2.9Å
400	Q	89	Confident	93.3	Very high	108 Å²	108	50.7 Å²	50.7	51%	0.505	27%	0.269	S	S	.	.	S	Bend	trans	-134.5	151.6	177.1	-60.6	-171.3	12.3	0	0	111.4	H403 A404	Q400-H403 HydrophobicContact CB-CB 4.38Å; Q400-A404 PolarHBondContact O-N 3.24Å; Q400-A404 VanDerWaalsContact O-N 3.14Å
401	K	89.5	Confident	93.5	Very high	63 Å²	63	46 Å²	46	27%	0.274	24%	0.236	S	C	.	.	H	α-helix	trans	-61.5	-53.5	179.6	-167.9	-145	-178.1	-169.9	0	112.2	H403 A404 E405 H422 D424	K401-H403 VanDerWaalsContact C-N 3.3Å; K401-H403 PolarHBondContact O-N 2.99Å; K401-A404 WeakPolarHBondContact O-CA 3.41Å; K401-A404 VanDerWaalsContact O-CB 3.3Å; K401-A404 WeakPolarHBondContact O-CB 3.48Å; K401-A404 PolarHBondContact O-N 3.5Å; K401-E405 WeakPolarHBondContact CD-OE2 3.29Å; K401-E405 VanDerWaalsContact CE-CD 3.47Å; K401-E405 WeakPolarHBondContact CE-OE1 3.21Å; K401-E405 IonicContact NZ-OE1 3.89Å; K401-E405 PolarHBondContact NZ-OE1 2.71Å; K401-E405 PolarHBondContact O-N 3.12Å; K401-H422 WeakPolarHBondContact CE-CE1 3.49Å; K401-H422 WeakPolarHBondContact CE-NE2 3.43Å; K401-H422 HydrophobicContact CG-CB 3.95Å; K401-D424 VanDerWaalsContact CD-OD2 3.26Å; K401-D424 WeakPolarHBondContact CD-OD2 3.45Å; K401-D424 WeakPolarHBondContact CE-OD2 3.3Å; K401-D424 IonicContact NZ-OD2 2.69Å; K401-D424 PolarHBondContact NZ-OD2 3.09Å
402	L	92.4	Very high	93.8	Very high	122 Å²	122	44.3 Å²	44.3	64%	0.639	23%	0.229	S	C	*	.	H	α-helix	trans	-55.9	-43.4	-179.3	-62.8	173.1	0	0	0	112.2	A404 E405 E406	L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.99Å; L402-E405 WeakPolarHBondContact CA-OE2 3.48Å; L402-E405 PolarHBondContact N-OE2 3.47Å; L402-E405 PolarHBondContact O-N 3.36Å; L402-E406 VanDerWaalsContact O-CB 3.29Å; L402-E406 WeakPolarHBondContact O-CB 3.44Å; L402-E406 PolarHBondContact O-N 3.21Å
403	H	92.5	Very high	93.9	Very high	80 Å²	80	46.4 Å²	46.4	37%	0.37	25%	0.25	S	S	.	.	H	α-helix	trans	-66.7	-29.9	175.2	-63.5	174.8	0	0	0	112.7	V398 Q400 K401 L407 D467	V398-H403 HydrophobicContact CG1-CB 3.43Å; V398-H403 VanDerWaalsContact CG1-CB 3.43Å; Q400-H403 HydrophobicContact CB-CB 4.38Å; K401-H403 VanDerWaalsContact C-N 3.3Å; K401-H403 PolarHBondContact O-N 2.99Å; H403-L407 WeakPolarHBondContact O-CB 3.28Å; H403-L407 PolarHBondContact O-N 2.95Å; H403-D467 IonicContact ND1-OD2 2.77Å
404	A	93.3	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.2	-43.3	176.9	0	0	0	0	0	111.1	V398 Q400 K401 L402 L407 A408 L420 V446 T448	V398-A404 HydrophobicContact CB-CB 4.07Å; V398-A404 HydrophobicContact CG1-CB 4.28Å; Q400-A404 PolarHBondContact O-N 3.24Å; Q400-A404 VanDerWaalsContact O-N 3.14Å; K401-A404 WeakPolarHBondContact O-CA 3.41Å; K401-A404 VanDerWaalsContact O-CB 3.3Å; K401-A404 WeakPolarHBondContact O-CB 3.48Å; K401-A404 PolarHBondContact O-N 3.5Å; L402-A404 VanDerWaalsContact C-N 3.3Å; L402-A404 PolarHBondContact O-N 2.99Å; A404-L407 PolarHBondContact O-N 2.97Å; A404-A408 VanDerWaalsContact O-CB 3.31Å; A404-A408 WeakPolarHBondContact O-CB 3.45Å; A404-A408 PolarHBondContact O-N 3.14Å; A404-L420 HydrophobicContact CB-CD1 3.8Å; A404-L420 WeakPolarHBondContact O-CD1 3.24Å; A404-V446 HydrophobicContact CB-CG1 4.03Å; A404-T448 HydrophobicContact CB-CG2 4.03Å
405	E	94.3	Very high	93.7	Very high	59 Å²	59	59.3 Å²	59.3	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-48.7	171.1	-70.8	163.1	133.5	0	0	110.9	K401 L402 K409 L420 H422	K401-E405 WeakPolarHBondContact CD-OE2 3.29Å; K401-E405 VanDerWaalsContact CE-CD 3.47Å; K401-E405 WeakPolarHBondContact CE-OE1 3.21Å; K401-E405 IonicContact NZ-OE1 3.89Å; K401-E405 PolarHBondContact NZ-OE1 2.71Å; K401-E405 PolarHBondContact O-N 3.12Å; L402-E405 WeakPolarHBondContact CA-OE2 3.48Å; L402-E405 PolarHBondContact N-OE2 3.47Å; L402-E405 PolarHBondContact O-N 3.36Å; E405-K409 VanDerWaalsContact O-CB 3.28Å; E405-K409 WeakPolarHBondContact O-CB 3.35Å; E405-K409 PolarHBondContact O-N 2.74Å; E405-L420 HydrophobicContact CB-CD2 4.34Å; E405-L420 HydrophobicContact CG-CD2 3.81Å; E405-H422 IonicContact OE1-NE2 3.73Å
406	E	95.4	Very high	93.7	Very high	113 Å²	113	61.1 Å²	61.1	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-48.2	176.4	-170.6	-166.8	166.6	0	0	111.9	L402 K409 N410	L402-E406 VanDerWaalsContact O-CB 3.29Å; L402-E406 WeakPolarHBondContact O-CB 3.44Å; L402-E406 PolarHBondContact O-N 3.21Å; E406-K409 PolarHBondContact O-N 3.08Å; E406-N410 VanDerWaalsContact O-CB 3.32Å; E406-N410 WeakPolarHBondContact O-CB 3.19Å; E406-N410 PolarHBondContact O-N 2.98Å; E406-N410 PolarHBondContact O-ND2 2.91Å
407	L	95.4	Very high	93.5	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.037	35%	0.345	C	S	.	.	H	α-helix	trans	-65	-43	-178.6	-173.6	66	0	0	0	111.8	W378 L381 I396 V398 H403 A404 N410 L411 V446 Y466	W378-L407 HydrophobicContact CE3-CD1 3.86Å; W378-L407 HydrophobicContact CZ3-CD1 3.83Å; L381-L407 HydrophobicContact CD2-CD1 3.91Å; L381-L407 HydrophobicContact CD2-CD2 4.3Å; L381-L407 HydrophobicContact CD2-CG 4.49Å; I396-L407 HydrophobicContact CG2-CD2 3.85Å; V398-L407 HydrophobicContact CG2-CD2 3.55Å; H403-L407 WeakPolarHBondContact O-CB 3.28Å; H403-L407 PolarHBondContact O-N 2.95Å; A404-L407 PolarHBondContact O-N 2.97Å; L407-N410 PolarHBondContact O-N 3.26Å; L407-L411 HydrophobicContact CG-CD1 4.25Å; L407-L411 WeakPolarHBondContact O-CB 3.35Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.33Å; L407-L411 PolarHBondContact O-N 2.84Å; L407-V446 HydrophobicContact CD2-CG1 4.39Å; L407-V446 HydrophobicContact CD2-CG2 4.5Å; L407-Y466 HydrophobicContact CD1-CE1 4.38Å; L407-Y466 HydrophobicContact CD1-CE2 4.14Å; L407-Y466 HydrophobicContact CD2-CD1 4.09Å; L407-Y466 HydrophobicContact CD2-CD2 4.2Å; L407-Y466 HydrophobicContact CD2-CE1 4.39Å; L407-Y466 HydrophobicContact CD2-CE2 4.5Å; L407-Y466 HydrophobicContact CD2-CG 3.97Å
408	A	95.3	Very high	93.4	Very high	8 Å²	8	69.1 Å²	69.1	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-47.4	175.7	0	0	0	0	0	111.1	A404 N410 L411 S412 V418 L420 V446	A404-A408 VanDerWaalsContact O-CB 3.31Å; A404-A408 WeakPolarHBondContact O-CB 3.45Å; A404-A408 PolarHBondContact O-N 3.14Å; A408-N410 PolarHBondContact O-N 3.45Å; A408-L411 PolarHBondContact O-N 2.93Å; A408-S412 PolarHBondContact O-N 2.85Å; A408-S412 PolarHBondContact O-OG 2.93Å; A408-V418 HydrophobicContact CB-CG1 4.11Å; A408-L420 HydrophobicContact CB-CB 4.08Å; A408-L420 HydrophobicContact CB-CD1 4.14Å; A408-L420 HydrophobicContact CB-CD2 4.37Å; A408-L420 HydrophobicContact CB-CG 4.43Å; A408-V446 HydrophobicContact CB-CB 4.35Å; A408-V446 HydrophobicContact CB-CG2 4.44Å
409	K	96	Very high	93.4	Very high	162 Å²	162	69.4 Å²	69.4	70%	0.704	35%	0.353	S	S	*	.	H	α-helix	trans	-58.7	-44.3	176.4	-176.1	176.7	-179.3	177.2	0	112.4	E405 E406 S412 G413	E405-K409 VanDerWaalsContact O-CB 3.28Å; E405-K409 WeakPolarHBondContact O-CB 3.35Å; E405-K409 PolarHBondContact O-N 2.74Å; E406-K409 PolarHBondContact O-N 3.08Å; K409-S412 PolarHBondContact O-N 3.13Å; K409-G413 PolarHBondContact O-N 3.18Å
410	N	95.6	Very high	93.6	Very high	67 Å²	67	68.9 Å²	68.9	36%	0.358	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-33.6	179.5	-73	-17.8	0	0	0	112.7	W378 E406 L407 A408	W378-N410 HydrophobicContact CH2-CB 3.68Å; W378-N410 WeakPolarHBondContact CH2-O 3.38Å; W378-N410 HydrophobicContact CZ2-CB 4.24Å; W378-N410 HydrophobicContact CZ3-CB 3.99Å; E406-N410 VanDerWaalsContact O-CB 3.32Å; E406-N410 WeakPolarHBondContact O-CB 3.19Å; E406-N410 PolarHBondContact O-N 2.98Å; E406-N410 PolarHBondContact O-ND2 2.91Å; L407-N410 PolarHBondContact O-N 3.26Å; A408-N410 PolarHBondContact O-N 3.45Å
411	L	96	Very high	93.7	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-72.3	-44	174.2	-71.6	173.9	0	0	0	112	W378 L381 T382 L385 I396 L407 A408 G413 R414 F416 V418 V446	W378-L411 HydrophobicContact CH2-CD2 3.85Å; W378-L411 HydrophobicContact CH2-CG 4.28Å; W378-L411 HydrophobicContact CZ3-CD2 3.6Å; W378-L411 HydrophobicContact CZ3-CG 3.93Å; L381-L411 HydrophobicContact CD2-CD1 4.37Å; L381-L411 HydrophobicContact CD2-CD2 4.24Å; T382-L411 HydrophobicContact CG2-CD2 4.08Å; L385-L411 HydrophobicContact CD2-CD1 4.27Å; L385-L411 HydrophobicContact CD2-CD2 3.57Å; I396-L411 HydrophobicContact CD1-CD1 3.97Å; L407-L411 HydrophobicContact CG-CD1 4.25Å; L407-L411 WeakPolarHBondContact O-CB 3.35Å; L407-L411 VanDerWaalsContact O-CG 3.27Å; L407-L411 WeakPolarHBondContact O-CG 3.33Å; L407-L411 PolarHBondContact O-N 2.84Å; A408-L411 PolarHBondContact O-N 2.93Å; L411-G413 PolarHBondContact O-N 3.21Å; L411-R414 CarbonylContact O-C 3.6Å; L411-R414 WeakPolarHBondContact O-CA 3.38Å; L411-R414 PolarHBondContact O-N 3.37Å; L411-F416 HydrophobicContact CB-CB 4.29Å; L411-F416 HydrophobicContact CD2-CD2 4.18Å; L411-F416 WeakPolarHBondContact O-CB 3.37Å; L411-F416 PolarHBondContact O-N 2.88Å; L411-V418 HydrophobicContact CB-CG2 3.72Å; L411-V418 HydrophobicContact CD1-CG2 4.09Å; L411-V446 HydrophobicContact CD1-CG2 4.05Å
412	S	94.3	Very high	93.6	Very high	60 Å²	60	61.3 Å²	61.3	42%	0.42	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-34.2	174	-60.1	0	0	0	0	111.9	A408 K409 R414 D415	A408-S412 PolarHBondContact O-N 2.85Å; A408-S412 PolarHBondContact O-OG 2.93Å; K409-S412 PolarHBondContact O-N 3.13Å; S412-R414 PolarHBondContact O-N 3.03Å; S412-R414 VanDerWaalsContact O-N 3.12Å; S412-D415 PolarHBondContact O-N 3.15Å; S412-D415 VanDerWaalsContact O-N 3.13Å
413	G	94	Very high	93	Very high	67 Å²	67	57.6 Å²	57.6	69%	0.691	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	6.4	169.5	0	0	0	0	0	115.5	K409 L411	K409-G413 PolarHBondContact O-N 3.18Å; L411-G413 PolarHBondContact O-N 3.21Å
414	R	92.3	Very high	92.6	Very high	119 Å²	119	58.9 Å²	58.9	45%	0.449	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	30.7	169	-72.8	-170.9	167.7	-170.4	-3.5	111.5	T382 L411 S412 F416	T382-R414 PolarHBondContact OG1-NH1 3.05Å; T382-R414 VanDerWaalsContact OG1-NH1 3.07Å; L411-R414 CarbonylContact O-C 3.6Å; L411-R414 WeakPolarHBondContact O-CA 3.38Å; L411-R414 PolarHBondContact O-N 3.37Å; S412-R414 PolarHBondContact O-N 3.03Å; S412-R414 VanDerWaalsContact O-N 3.12Å; R414-F416 HydrophobicContact CB-CD2 3.94Å; R414-F416 HydrophobicContact CB-CE2 4.14Å; R414-F416 WeakPolarHBondContact O-CD2 3.31Å; R414-F416 PolarHBondContact O-N 3.2Å
415	D	91.3	Very high	92.1	Very high	157 Å²	157	60.7 Å²	60.7	84%	0.84	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	12.7	176.5	-50.5	-55.3	0	0	0	115.5	S412	S412-D415 PolarHBondContact O-N 3.15Å; S412-D415 VanDerWaalsContact O-N 3.13Å
416	F	93.3	Very high	91.7	Very high	38 Å²	38	62.8 Å²	62.8	17%	0.167	33%	0.334	C	S	.	.			trans	-75	128.8	169.9	-69.8	-81.1	0	0	0	110	L385 V386 L411 R414 V418 I444	L385-F416 HydrophobicContact CB-CE1 3.99Å; L385-F416 HydrophobicContact CB-CZ 4.15Å; L385-F416 HydrophobicContact CD2-CD1 3.69Å; L385-F416 HydrophobicContact CD2-CD2 4.2Å; L385-F416 HydrophobicContact CD2-CE1 3.72Å; L385-F416 HydrophobicContact CD2-CE2 4.23Å; L385-F416 HydrophobicContact CD2-CG 3.94Å; L385-F416 HydrophobicContact CD2-CZ 4Å; L385-F416 HydrophobicContact CG-CD1 3.99Å; L385-F416 HydrophobicContact CG-CE1 3.73Å; L385-F416 HydrophobicContact CG-CZ 4.26Å; V386-F416 HydrophobicContact CG2-CE1 3.92Å; V386-F416 HydrophobicContact CG2-CZ 3.9Å; L411-F416 HydrophobicContact CB-CB 4.29Å; L411-F416 HydrophobicContact CD2-CD2 4.18Å; L411-F416 WeakPolarHBondContact O-CB 3.37Å; L411-F416 PolarHBondContact O-N 2.88Å; R414-F416 HydrophobicContact CB-CD2 3.94Å; R414-F416 HydrophobicContact CB-CE2 4.14Å; R414-F416 WeakPolarHBondContact O-CD2 3.31Å; R414-F416 PolarHBondContact O-N 3.2Å; F416-V418 HydrophobicContact CB-CG2 3.88Å; F416-V418 PolarHBondContact O-N 2.79Å; F416-I444 HydrophobicContact CB-CD1 3.93Å; F416-I444 HydrophobicContact CD1-CD1 3.79Å; F416-I444 HydrophobicContact CG-CD1 4.22Å
417	R	93.5	Very high	90.6	Very high	148 Å²	148	59.1 Å²	59.1	56%	0.558	32%	0.318	S	S	*	.			trans	-76.6	110.6	172	-56.8	-173.6	-58	139.5	13	108.7	E441 I442	R417-E441 PolarHBondContact NH1-O 3.41Å; R417-E441 PolarHBondContact NH2-O 3.11Å; R417-I442 WeakPolarHBondContact O-CG2 3.35Å
418	V	94.7	Very high	90	Very high	22 Å²	22	60.4 Å²	60.4	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	131.2	-170.6	178.1	0	0	0	0	111.6	A408 L411 F416 I444 V446	A408-V418 HydrophobicContact CB-CG1 4.11Å; L411-V418 HydrophobicContact CB-CG2 3.72Å; L411-V418 HydrophobicContact CD1-CG2 4.09Å; F416-V418 HydrophobicContact CB-CG2 3.88Å; F416-V418 PolarHBondContact O-N 2.79Å; V418-I444 WeakPolarHBondContact CA-O 3.32Å; V418-I444 HydrophobicContact CG1-CG2 4.2Å; V418-I444 HydrophobicContact CG2-CB 3.98Å; V418-I444 HydrophobicContact CG2-CD1 3.96Å; V418-I444 HydrophobicContact CG2-CG2 3.94Å; V418-V446 HydrophobicContact CG1-CB 4.31Å; V418-V446 HydrophobicContact CG1-CG2 3.67Å
419	C	93.4	Very high	89.6	Confident	8 Å²	8	63.4 Å²	63.4	5%	0.054	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	148.8	164.9	-83.9	0	0	0	0	110.7	V433 I442 I444 L445 V446	C419-V433 HydrophobicContact CB-CG1 3.88Å; C419-I442 HydrophobicContact CB-CG2 4.17Å; C419-I442 WeakPolarHBondContact SG-CD1 3.42Å; C419-I444 PolarHBondContact N-O 3.34Å; C419-L445 HydrophobicContact CB-CD1 3.51Å; C419-V446 PolarHBondContact O-N 3.07Å
420	L	93.9	Very high	89.1	Confident	39 Å²	39	56.7 Å²	56.7	20%	0.204	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.1	172.3	176.1	61.9	0	0	0	109.9	A404 E405 A408 L425 V446	A404-L420 HydrophobicContact CB-CD1 3.8Å; A404-L420 WeakPolarHBondContact O-CD1 3.24Å; E405-L420 HydrophobicContact CB-CD2 4.34Å; E405-L420 HydrophobicContact CG-CD2 3.81Å; A408-L420 HydrophobicContact CB-CB 4.08Å; A408-L420 HydrophobicContact CB-CD1 4.14Å; A408-L420 HydrophobicContact CB-CD2 4.37Å; A408-L420 HydrophobicContact CB-CG 4.43Å; L420-L425 WeakPolarHBondContact O-CD1 3.38Å; L420-V446 CarbonylContact C-O 3.59Å; L420-V446 WeakPolarHBondContact CA-O 3.48Å; L420-V446 HydrophobicContact CD1-CB 4.37Å; L420-V446 HydrophobicContact CD1-CG1 4.08Å
421	L	90.7	Very high	88.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	107.6	178.8	-169.3	75.4	0	0	0	112	L425 R430 V433 I434 L445 V446 A447 T448 A451 L455	L421-L425 HydrophobicContact CD1-CD1 4.13Å; L421-R430 HydrophobicContact CD1-CB 4.02Å; L421-R430 HydrophobicContact CD1-CG 4.02Å; L421-V433 HydrophobicContact CB-CG1 4.19Å; L421-V433 HydrophobicContact CD1-CB 4.32Å; L421-V433 HydrophobicContact CD1-CG1 3.94Å; L421-I434 HydrophobicContact CD1-CD1 4.49Å; L421-I434 HydrophobicContact CD1-CG1 4.33Å; L421-I434 HydrophobicContact CD2-CD1 4.28Å; L421-I434 HydrophobicContact CD2-CG1 4.1Å; L421-L445 HydrophobicContact CB-CD1 3.86Å; L421-V446 PolarHBondContact N-O 3.44Å; L421-A447 HydrophobicContact CB-CB 4.13Å; L421-A447 VanDerWaalsContact O-CA 3.25Å; L421-A447 WeakPolarHBondContact O-CA 3.44Å; L421-T448 PolarHBondContact O-N 3.3Å; L421-T448 VanDerWaalsContact O-N 3.17Å; L421-A451 HydrophobicContact CD2-CB 4.39Å; L421-A451 VanDerWaalsContact CD2-O 3.31Å; L421-A451 WeakPolarHBondContact CD2-O 3.3Å; L421-A451 HydrophobicContact CG-CB 3.95Å; L421-L455 HydrophobicContact CD2-CD1 3.97Å; L421-L455 HydrophobicContact CD2-CD2 4.39Å
422	H	88.6	Confident	88.1	Confident	11 Å²	11	59 Å²	59	5%	0.051	32%	0.316	C	S	.	.			trans	-130.4	-179.8	174.9	56.3	59.3	0	0	0	112	K401 E405 D424 L425 T448	K401-H422 WeakPolarHBondContact CE-CE1 3.49Å; K401-H422 WeakPolarHBondContact CE-NE2 3.43Å; K401-H422 HydrophobicContact CG-CB 3.95Å; E405-H422 IonicContact OE1-NE2 3.73Å; H422-D424 PolarHBondContact ND1-N 3.41Å; H422-L425 PolarHBondContact ND1-N 3.02Å; H422-T448 HydrophobicContact CB-CG2 4.11Å
423	G	79.7	Confident	87.8	Confident	44 Å²	44	57.5 Å²	57.5	45%	0.454	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.1	-175.7	0	0	0	0	0	113.6	L425	G423-L425 PolarHBondContact O-N 3.33Å
424	D	83.9	Confident	87.4	Confident	108 Å²	108	55.3 Å²	55.3	58%	0.578	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	0	-173.8	-41.2	32.8	0	0	0	114.4	K401 H422	K401-D424 VanDerWaalsContact CD-OD2 3.26Å; K401-D424 WeakPolarHBondContact CD-OD2 3.45Å; K401-D424 WeakPolarHBondContact CE-OD2 3.3Å; K401-D424 IonicContact NZ-OD2 2.69Å; K401-D424 PolarHBondContact NZ-OD2 3.09Å; H422-D424 PolarHBondContact ND1-N 3.41Å
425	L	83.8	Confident	87.1	Confident	37 Å²	37	51.2 Å²	51.2	19%	0.194	26%	0.262	C	S	.	.	S	Bend	trans	-76.1	138.6	174.3	-75.9	171.2	0	0	0	109.5	L420 L421 H422 G423 E429 R430	L420-L425 WeakPolarHBondContact O-CD1 3.38Å; L421-L425 HydrophobicContact CD1-CD1 4.13Å; H422-L425 PolarHBondContact ND1-N 3.02Å; G423-L425 PolarHBondContact O-N 3.33Å; L425-E429 HydrophobicContact CD2-CB 4.4Å; L425-R430 HydrophobicContact CB-CG 3.39Å; L425-R430 HydrophobicContact CD1-CG 4.19Å; L425-R430 HydrophobicContact CG-CG 4.45Å; L425-R430 WeakPolarHBondContact O-CD 3.5Å
426	L	84	Confident	87	Confident	103 Å²	103	44.5 Å²	44.5	54%	0.539	23%	0.229	S	C	.	.			trans	-61.1	145.9	171.9	-60.8	179.3	0	0	0	109.6	H428 E429 R430	L426-H428 PolarHBondContact O-N 2.98Å; L426-H428 VanDerWaalsContact O-N 3.13Å; L426-E429 HydrophobicContact CB-CG 4.08Å; L426-E429 WeakPolarHBondContact CB-OE2 3.18Å; L426-E429 PolarHBondContact N-OE2 3.26Å; L426-E429 WeakPolarHBondContact O-CB 3.47Å; L426-E429 PolarHBondContact O-N 3.42Å; L426-R430 PolarHBondContact O-N 3.31Å
427	Q	73	Confident	86.8	Confident	37 Å²	37	42.7 Å²	42.7	17%	0.173	22%	0.221	C	C	.	.	H	α-helix	trans	-70	-19	-164.9	-172.8	54.9	65.1	0	0	113.7	N431	Q427-N431 PolarHBondContact NE2-OD1 3.27Å; Q427-N431 PolarHBondContact O-N 3.41Å; Q427-N431 PolarHBondContact O-ND2 3.48Å; Q427-N431 PolarHBondContact O-OD1 2.64Å; Q427-N431 VanDerWaalsContact O-OD1 3.08Å
428	H	82.6	Confident	86.4	Confident	34 Å²	34	40.9 Å²	40.9	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-72.3	-47.2	168.5	60.9	-92.1	0	0	0	111.3	D36 L426 R430 N431 E432	D36-H428 HydrophobicContact CB-CB 3.9Å; L426-H428 PolarHBondContact O-N 2.98Å; L426-H428 VanDerWaalsContact O-N 3.13Å; H428-R430 VanDerWaalsContact C-N 3.27Å; H428-R430 PolarHBondContact O-N 3.28Å; H428-N431 CarbonylContact O-C 3.59Å; H428-N431 WeakPolarHBondContact O-CA 3.31Å; H428-N431 WeakPolarHBondContact O-CB 3.42Å; H428-N431 PolarHBondContact O-N 3.44Å; H428-E432 PolarHBondContact O-N 2.63Å
429	E	87	Confident	85.9	Confident	70 Å²	70	44 Å²	44	33%	0.327	23%	0.225	S	C	.	.	H	α-helix	trans	-55	-42.9	172.7	-51.4	174.7	127.6	0	0	111.4	L425 L426 N431 E432 V433	L425-E429 HydrophobicContact CD2-CB 4.4Å; L426-E429 HydrophobicContact CB-CG 4.08Å; L426-E429 WeakPolarHBondContact CB-OE2 3.18Å; L426-E429 PolarHBondContact N-OE2 3.26Å; L426-E429 WeakPolarHBondContact O-CB 3.47Å; L426-E429 PolarHBondContact O-N 3.42Å; E429-N431 VanDerWaalsContact C-N 3.29Å; E429-N431 PolarHBondContact O-N 3.15Å; E429-E432 PolarHBondContact O-N 2.79Å; E429-V433 WeakPolarHBondContact O-CB 3.36Å; E429-V433 VanDerWaalsContact O-CG2 3.32Å; E429-V433 WeakPolarHBondContact O-CG2 3.48Å; E429-V433 PolarHBondContact O-N 2.7Å
430	R	85.1	Confident	85.1	Confident	21 Å²	21	49.4 Å²	49.4	8%	0.079	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-39.2	174.7	-66.4	-172	69.2	-120.5	-9.7	112	E230 L421 L425 L426 H428 I434 A451	E230-R430 IonicContact OE1-CZ 2.67Å; E230-R430 IonicContact OE1-NH1 2.65Å; E230-R430 PolarHBondContact OE1-NH1 3.37Å; E230-R430 IonicContact OE1-NH2 3Å; E230-R430 PolarHBondContact OE1-NH2 2.65Å; L421-R430 HydrophobicContact CD1-CB 4.02Å; L421-R430 HydrophobicContact CD1-CG 4.02Å; L425-R430 HydrophobicContact CB-CG 3.39Å; L425-R430 HydrophobicContact CD1-CG 4.19Å; L425-R430 HydrophobicContact CG-CG 4.45Å; L425-R430 WeakPolarHBondContact O-CD 3.5Å; L426-R430 PolarHBondContact O-N 3.31Å; H428-R430 VanDerWaalsContact C-N 3.27Å; H428-R430 PolarHBondContact O-N 3.28Å; R430-I434 WeakPolarHBondContact O-CB 3.46Å; R430-I434 VanDerWaalsContact O-CD1 3.23Å; R430-I434 WeakPolarHBondContact O-CD1 3.18Å; R430-I434 WeakPolarHBondContact O-CG1 3.24Å; R430-I434 PolarHBondContact O-N 2.89Å; R430-A451 PolarHBondContact NH2-O 3.42Å; R430-A451 VanDerWaalsContact NH2-O 3.16Å
431	N	82.9	Confident	84.5	Confident	29 Å²	29	52.2 Å²	52.2	16%	0.155	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-47.8	175.6	-55.7	-26.6	0	0	0	110.5	R229 Q427 H428 E429 V433 I434 Q435	R229-N431 PolarHBondContact NH2-ND2 3.32Å; R229-N431 VanDerWaalsContact NH2-ND2 3.11Å; Q427-N431 PolarHBondContact NE2-OD1 3.27Å; Q427-N431 PolarHBondContact O-N 3.41Å; Q427-N431 PolarHBondContact O-ND2 3.48Å; Q427-N431 PolarHBondContact O-OD1 2.64Å; Q427-N431 VanDerWaalsContact O-OD1 3.08Å; H428-N431 CarbonylContact O-C 3.59Å; H428-N431 WeakPolarHBondContact O-CA 3.31Å; H428-N431 WeakPolarHBondContact O-CB 3.42Å; H428-N431 PolarHBondContact O-N 3.44Å; E429-N431 VanDerWaalsContact C-N 3.29Å; E429-N431 PolarHBondContact O-N 3.15Å; N431-V433 PolarHBondContact O-N 2.97Å; N431-I434 PolarHBondContact O-N 3.11Å; N431-Q435 WeakPolarHBondContact O-CG 3.47Å; N431-Q435 PolarHBondContact O-N 3.06Å
432	E	87.7	Confident	84.5	Confident	87 Å²	87	54.2 Å²	54.2	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-58	-48.4	179.4	-70.3	177.5	-174.8	0	0	112	H428 E429 I434 Q435 A436	H428-E432 PolarHBondContact O-N 2.63Å; E429-E432 PolarHBondContact O-N 2.79Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.49Å; E432-Q435 PolarHBondContact O-N 2.66Å; E432-Q435 VanDerWaalsContact O-N 3.1Å; E432-A436 PolarHBondContact O-N 2.96Å
433	V	89.2	Confident	84.7	Confident	28 Å²	28	54.9 Å²	54.9	17%	0.17	28%	0.278	C	S	.	.	H	α-helix	trans	-56.6	-44.2	174.5	165	0	0	0	0	111.8	C419 L421 E429 N431 Q435 F437 L445	C419-V433 HydrophobicContact CB-CG1 3.88Å; L421-V433 HydrophobicContact CB-CG1 4.19Å; L421-V433 HydrophobicContact CD1-CB 4.32Å; L421-V433 HydrophobicContact CD1-CG1 3.94Å; E429-V433 WeakPolarHBondContact O-CB 3.36Å; E429-V433 VanDerWaalsContact O-CG2 3.32Å; E429-V433 WeakPolarHBondContact O-CG2 3.48Å; E429-V433 PolarHBondContact O-N 2.7Å; N431-V433 PolarHBondContact O-N 2.97Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; V433-F437 PolarHBondContact O-N 2.98Å; V433-L445 HydrophobicContact CG1-CD1 3.96Å
434	I	85.9	Confident	85.4	Confident	22 Å²	22	52.9 Å²	52.9	11%	0.113	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-38.1	177.5	-70.8	165.9	0	0	0	110.7	E230 L421 R430 N431 E432 R438 L455 I457	E230-I434 HydrophobicContact CG-CD1 4.24Å; L421-I434 HydrophobicContact CD1-CD1 4.49Å; L421-I434 HydrophobicContact CD1-CG1 4.33Å; L421-I434 HydrophobicContact CD2-CD1 4.28Å; L421-I434 HydrophobicContact CD2-CG1 4.1Å; R430-I434 WeakPolarHBondContact O-CB 3.46Å; R430-I434 VanDerWaalsContact O-CD1 3.23Å; R430-I434 WeakPolarHBondContact O-CD1 3.18Å; R430-I434 WeakPolarHBondContact O-CG1 3.24Å; R430-I434 PolarHBondContact O-N 2.89Å; N431-I434 PolarHBondContact O-N 3.11Å; E432-I434 VanDerWaalsContact C-N 3.32Å; E432-I434 PolarHBondContact O-N 3.49Å; I434-R438 VanDerWaalsContact O-CB 3.23Å; I434-R438 WeakPolarHBondContact O-CB 3.39Å; I434-R438 PolarHBondContact O-N 2.91Å; I434-L455 HydrophobicContact CD1-CD2 3.53Å; I434-L455 HydrophobicContact CG1-CD2 3.76Å; I434-L455 HydrophobicContact CG2-CD2 4.36Å; I434-I457 HydrophobicContact CG2-CD1 4.38Å
435	Q	85.4	Confident	85.9	Confident	32 Å²	32	47.7 Å²	47.7	15%	0.15	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-43.1	177.8	-63.4	-53.6	-19.1	0	0	113.1	I29 N431 E432 V433 F437 R438 K439	I29-Q435 HydrophobicContact CG2-CG 3.87Å; N431-Q435 WeakPolarHBondContact O-CG 3.47Å; N431-Q435 PolarHBondContact O-N 3.06Å; E432-Q435 PolarHBondContact O-N 2.66Å; E432-Q435 VanDerWaalsContact O-N 3.1Å; V433-Q435 VanDerWaalsContact C-N 3.34Å; Q435-F437 VanDerWaalsContact C-N 3.28Å; Q435-F437 PolarHBondContact O-N 2.85Å; Q435-R438 CarbonylContact O-C 3.46Å; Q435-R438 WeakPolarHBondContact O-CA 3.5Å; Q435-R438 PolarHBondContact O-N 3.26Å; Q435-K439 WeakPolarHBondContact O-CB 3.28Å; Q435-K439 WeakPolarHBondContact O-CG 3.37Å; Q435-K439 PolarHBondContact O-N 3.29Å
436	A	88.7	Confident	86.5	Confident	17 Å²	17	46 Å²	46	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-40.4	176.8	0	0	0	0	0	111.7	E432 E441 I442	E432-A436 PolarHBondContact O-N 2.96Å; A436-E441 WeakPolarHBondContact O-CB 3.29Å; A436-E441 PolarHBondContact O-N 2.89Å; A436-I442 HydrophobicContact CB-CD1 4.23Å; A436-I442 PolarHBondContact O-N 3.16Å
437	F	89.4	Confident	87	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70	-35.2	172.3	-173.9	-108.3	0	0	0	112.3	K393 V433 Q435 I442 L445 I457 I460	K393-F437 HydrophobicContact CB-CE2 3.85Å; K393-F437 HydrophobicContact CB-CZ 3.71Å; K393-F437 HydrophobicContact CD-CD2 4.43Å; K393-F437 HydrophobicContact CD-CE1 4.45Å; K393-F437 HydrophobicContact CD-CE2 4.21Å; K393-F437 HydrophobicContact CD-CZ 4.24Å; K393-F437 VanDerWaalsContact CD-O 3.25Å; K393-F437 WeakPolarHBondContact CD-O 3.31Å; K393-F437 VanDerWaalsContact CE-O 3.3Å; K393-F437 WeakPolarHBondContact CE-O 3.46Å; K393-F437 HydrophobicContact CG-CE2 4.43Å; K393-F437 PolarHBondContact NZ-O 3.18Å; V433-F437 PolarHBondContact O-N 2.98Å; Q435-F437 VanDerWaalsContact C-N 3.28Å; Q435-F437 PolarHBondContact O-N 2.85Å; F437-I442 VanDerWaalsContact CD2-O 3.23Å; F437-I442 WeakPolarHBondContact CD2-O 3.39Å; F437-L445 HydrophobicContact CD1-CB 4.16Å; F437-L445 HydrophobicContact CD1-CD2 3.76Å; F437-L445 HydrophobicContact CD2-CB 3.61Å; F437-L445 HydrophobicContact CE1-CB 4.05Å; F437-L445 HydrophobicContact CE1-CD2 3.93Å; F437-L445 HydrophobicContact CE2-CB 3.48Å; F437-L445 VanDerWaalsContact CE2-CB 3.48Å; F437-L445 HydrophobicContact CG-CB 3.95Å; F437-L445 HydrophobicContact CG-CD2 4.13Å; F437-L445 HydrophobicContact CZ-CB 3.7Å; F437-L445 HydrophobicContact CZ-CD2 4.43Å; F437-I457 HydrophobicContact CD1-CD1 3.65Å; F437-I457 HydrophobicContact CD1-CG2 4.27Å; F437-I457 HydrophobicContact CE1-CD1 4.04Å; F437-I457 HydrophobicContact CE1-CG2 4.18Å; F437-I460 HydrophobicContact CE1-CD1 4.03Å; F437-I460 HydrophobicContact CE1-CG1 3.77Å; F437-I460 HydrophobicContact CZ-CG1 4Å
438	R	84.8	Confident	87.8	Confident	110 Å²	110	40 Å²	40	42%	0.415	19%	0.19	S	C	.	.	H	α-helix	trans	-68.8	-43.3	176.9	-167.1	176.2	-171.7	178.7	1.5	112.8	K393 I434 Q435 E440	K393-R438 PolarHBondContact NZ-O 3.33Å; I434-R438 VanDerWaalsContact O-CB 3.23Å; I434-R438 WeakPolarHBondContact O-CB 3.39Å; I434-R438 PolarHBondContact O-N 2.91Å; Q435-R438 CarbonylContact O-C 3.46Å; Q435-R438 WeakPolarHBondContact O-CA 3.5Å; Q435-R438 PolarHBondContact O-N 3.26Å; R438-E440 PolarHBondContact O-N 3.22Å; R438-E440 VanDerWaalsContact O-N 3.15Å
439	K	84.9	Confident	87.9	Confident	86 Å²	86	39.3 Å²	39.3	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-1.5	177.4	-73.3	-173.6	174.4	-172.1	0	114.9	E30 Q435 E441	E30-K439 IonicContact OE1-NZ 3.63Å; E30-K439 PolarHBondContact OE1-NZ 3.47Å; Q435-K439 WeakPolarHBondContact O-CB 3.28Å; Q435-K439 WeakPolarHBondContact O-CG 3.37Å; Q435-K439 PolarHBondContact O-N 3.29Å; K439-E441 HydrophobicContact CB-CG 3.87Å; K439-E441 WeakPolarHBondContact CD-OE1 3.35Å; K439-E441 IonicContact NZ-OE1 2.73Å; K439-E441 PolarHBondContact O-N 2.91Å
440	E	76.3	Confident	87.2	Confident	122 Å²	122	40.4 Å²	40.4	57%	0.57	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	3.1	-175.1	-29.2	-122.1	118.8	0	0	114.5	K393 R438 I442	K393-E440 WeakPolarHBondContact CE-OE1 3.37Å; K393-E440 IonicContact NZ-OE1 3.77Å; K393-E440 PolarHBondContact NZ-OE1 2.95Å; R438-E440 PolarHBondContact O-N 3.22Å; R438-E440 VanDerWaalsContact O-N 3.15Å; E440-I442 PolarHBondContact O-N 3.23Å
441	E	81.8	Confident	86.5	Confident	98 Å²	98	39.5 Å²	39.5	46%	0.458	20%	0.196	S	C	.	.	S	Bend	trans	-57.1	-38.5	175.8	-63.6	170.6	-172.1	0	0	110.9	R417 A436 K439	R417-E441 PolarHBondContact NH1-O 3.41Å; R417-E441 PolarHBondContact NH2-O 3.11Å; A436-E441 WeakPolarHBondContact O-CB 3.29Å; A436-E441 PolarHBondContact O-N 2.89Å; K439-E441 HydrophobicContact CB-CG 3.87Å; K439-E441 WeakPolarHBondContact CD-OE1 3.35Å; K439-E441 IonicContact NZ-OE1 2.73Å; K439-E441 PolarHBondContact O-N 2.91Å
442	I	89.2	Confident	85.8	Confident	43 Å²	43	38.1 Å²	38.1	22%	0.221	19%	0.188	C	C	.	.			trans	-124.3	123.5	177.9	-64	175.7	0	0	0	109.9	R417 C419 A436 F437 E440 I444	R417-I442 WeakPolarHBondContact O-CG2 3.35Å; C419-I442 HydrophobicContact CB-CG2 4.17Å; C419-I442 WeakPolarHBondContact SG-CD1 3.42Å; A436-I442 HydrophobicContact CB-CD1 4.23Å; A436-I442 PolarHBondContact O-N 3.16Å; F437-I442 VanDerWaalsContact CD2-O 3.23Å; F437-I442 WeakPolarHBondContact CD2-O 3.39Å; E440-I442 PolarHBondContact O-N 3.23Å; I442-I444 WeakPolarHBondContact CG2-O 3.4Å
443	P	93	Very high	84.8	Confident	25 Å²	25	34.8 Å²	34.8	16%	0.162	17%	0.172	C	C	.	.	S	Bend	trans	-86.3	-14.6	-172.1	33.1	-35.7	0	0	0	114.4	K393 V394	K393-P443 VanDerWaalsContact CA-O 3.32Å; K393-P443 WeakPolarHBondContact CA-O 3.48Å; V394-P443 PolarHBondContact N-O 2.88Å
444	I	95.1	Very high	83.5	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.4	-174.6	-57.8	154.3	0	0	0	109.6	L385 C389 V394 I396 F416 V418 C419 I442	L385-I444 HydrophobicContact CD1-CD1 4.04Å; L385-I444 HydrophobicContact CD1-CG1 4.1Å; L385-I444 HydrophobicContact CD2-CD1 3.87Å; L385-I444 HydrophobicContact CG-CD1 3.97Å; C389-I444 VanDerWaalsContact SG-CG1 3.56Å; V394-I444 HydrophobicContact CB-CG1 4.4Å; V394-I444 WeakPolarHBondContact O-CA 3.26Å; I396-I444 HydrophobicContact CD1-CG2 3.61Å; I396-I444 HydrophobicContact CG1-CG2 4.24Å; F416-I444 HydrophobicContact CB-CD1 3.93Å; F416-I444 HydrophobicContact CD1-CD1 3.79Å; F416-I444 HydrophobicContact CG-CD1 4.22Å; V418-I444 WeakPolarHBondContact CA-O 3.32Å; V418-I444 HydrophobicContact CG1-CG2 4.2Å; V418-I444 HydrophobicContact CG2-CB 3.98Å; V418-I444 HydrophobicContact CG2-CD1 3.96Å; V418-I444 HydrophobicContact CG2-CG2 3.94Å; C419-I444 PolarHBondContact N-O 3.34Å; I442-I444 WeakPolarHBondContact CG2-O 3.4Å
445	L	94.9	Very high	82.7	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.6	172.5	178.9	59.6	0	0	0	109.2	V394 L395 I396 C419 L421 V433 F437 A447 L455	V394-L445 PolarHBondContact O-N 3.11Å; L395-L445 CarbonylContact C-O 3.55Å; L395-L445 WeakPolarHBondContact CA-O 3.44Å; L395-L445 HydrophobicContact CD1-CB 4.07Å; L395-L445 HydrophobicContact CD1-CD2 3.95Å; L395-L445 HydrophobicContact CD1-CG 3.85Å; L395-L445 WeakPolarHBondContact CD1-O 3.34Å; I396-L445 PolarHBondContact N-O 3.47Å; C419-L445 HydrophobicContact CB-CD1 3.51Å; L421-L445 HydrophobicContact CB-CD1 3.86Å; V433-L445 HydrophobicContact CG1-CD1 3.96Å; F437-L445 HydrophobicContact CD1-CB 4.16Å; F437-L445 HydrophobicContact CD1-CD2 3.76Å; F437-L445 HydrophobicContact CD2-CB 3.61Å; F437-L445 HydrophobicContact CE1-CB 4.05Å; F437-L445 HydrophobicContact CE1-CD2 3.93Å; F437-L445 HydrophobicContact CE2-CB 3.48Å; F437-L445 VanDerWaalsContact CE2-CB 3.48Å; F437-L445 HydrophobicContact CG-CB 3.95Å; F437-L445 HydrophobicContact CG-CD2 4.13Å; F437-L445 HydrophobicContact CZ-CB 3.7Å; F437-L445 HydrophobicContact CZ-CD2 4.43Å; L445-A447 HydrophobicContact CG-CB 4.48Å; L445-L455 HydrophobicContact CD2-CD1 3.9Å
446	V	95.9	Very high	82	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.6	168.6	174.6	0	0	0	0	107.8	I396 V398 A404 L407 A408 L411 V418 C419 L420 L421	I396-V446 HydrophobicContact CB-CG2 4.19Å; I396-V446 HydrophobicContact CD1-CG2 4.13Å; I396-V446 WeakPolarHBondContact O-CA 3.49Å; V398-V446 HydrophobicContact CG2-CG1 3.99Å; A404-V446 HydrophobicContact CB-CG1 4.03Å; L407-V446 HydrophobicContact CD2-CG1 4.39Å; L407-V446 HydrophobicContact CD2-CG2 4.5Å; A408-V446 HydrophobicContact CB-CB 4.35Å; A408-V446 HydrophobicContact CB-CG2 4.44Å; L411-V446 HydrophobicContact CD1-CG2 4.05Å; V418-V446 HydrophobicContact CG1-CB 4.31Å; V418-V446 HydrophobicContact CG1-CG2 3.67Å; C419-V446 PolarHBondContact O-N 3.07Å; L420-V446 CarbonylContact C-O 3.59Å; L420-V446 WeakPolarHBondContact CA-O 3.48Å; L420-V446 HydrophobicContact CD1-CB 4.37Å; L420-V446 HydrophobicContact CD1-CG1 4.08Å; L421-V446 PolarHBondContact N-O 3.44Å
447	A	93.4	Very high	81.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155	-175.6	0	0	0	0	0	114.7	L395 I396 F397 V398 L421 L445 A452	L395-A447 HydrophobicContact CD1-CB 4.04Å; I396-A447 PolarHBondContact O-N 3.3Å; F397-A447 WeakPolarHBondContact CA-O 3.34Å; V398-A447 PolarHBondContact N-O 3.19Å; L421-A447 HydrophobicContact CB-CB 4.13Å; L421-A447 VanDerWaalsContact O-CA 3.25Å; L421-A447 WeakPolarHBondContact O-CA 3.44Å; L445-A447 HydrophobicContact CG-CB 4.48Å; A447-A452 HydrophobicContact CB-CB 3.5Å
448	T	91.6	Very high	80.5	Confident	14 Å²	14	36.2 Å²	36.2	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	158.8	169.7	66.7	0	0	0	0	111.7	V398 A404 L421 H422 V450 A451 A452	V398-T448 WeakPolarHBondContact O-CA 3.26Å; A404-T448 HydrophobicContact CB-CG2 4.03Å; L421-T448 PolarHBondContact O-N 3.3Å; L421-T448 VanDerWaalsContact O-N 3.17Å; H422-T448 HydrophobicContact CB-CG2 4.11Å; T448-V450 VanDerWaalsContact C-N 3.28Å; T448-V450 PolarHBondContact O-N 3.21Å; T448-A451 PolarHBondContact O-N 3.44Å; T448-A452 PolarHBondContact O-N 3.18Å
449	D	84.5	Confident	80.4	Confident	20 Å²	20	32.4 Å²	32.4	11%	0.107	17%	0.172	C	C	.	.	H	α-helix	trans	-49	-48.4	177.9	-87	-48.6	0	0	0	112.5	A451 R453 T474 R478	D449-A451 VanDerWaalsContact C-N 3.28Å; D449-A451 PolarHBondContact O-N 2.91Å; D449-R453 WeakPolarHBondContact O-CB 3.33Å; D449-R453 WeakPolarHBondContact O-CD 3.3Å; D449-R453 WeakPolarHBondContact O-CG 3.37Å; D449-R453 PolarHBondContact O-N 3.18Å; D449-R453 VanDerWaalsContact O-N 3.15Å; D449-T474 WeakPolarHBondContact OD1-CG2 3.45Å; D449-R478 IonicContact OD1-CZ 3.73Å; D449-R478 IonicContact OD1-NE 3.54Å; D449-R478 PolarHBondContact OD1-NE 3.33Å; D449-R478 IonicContact OD1-NH2 3.18Å; D449-R478 IonicContact OD2-CZ 3.83Å; D449-R478 IonicContact OD2-NE 3.93Å; D449-R478 PolarHBondContact OD2-NE 3.17Å; D449-R478 IonicContact OD2-NH2 2.82Å; D449-R478 PolarHBondContact OD2-NH2 3.22Å
450	V	72.4	Confident	80.6	Confident	94 Å²	94	28.4 Å²	28.4	57%	0.57	16%	0.155	S	C	*	.	H	α-helix	trans	-58	-42.8	-175.3	179.9	0	0	0	0	111.3	T448	T448-V450 VanDerWaalsContact C-N 3.28Å; T448-V450 PolarHBondContact O-N 3.21Å
451	A	69	Low	81.3	Confident	1 Å²	1	24.9 Å²	24.9	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-93.7	-21.2	-168.6	0	0	0	0	0	114.6	L421 R430 T448 D449	L421-A451 HydrophobicContact CD2-CB 4.39Å; L421-A451 VanDerWaalsContact CD2-O 3.31Å; L421-A451 WeakPolarHBondContact CD2-O 3.3Å; L421-A451 HydrophobicContact CG-CB 3.95Å; R430-A451 PolarHBondContact NH2-O 3.42Å; R430-A451 VanDerWaalsContact NH2-O 3.16Å; T448-A451 PolarHBondContact O-N 3.44Å; D449-A451 VanDerWaalsContact C-N 3.28Å; D449-A451 PolarHBondContact O-N 2.91Å
452	A	68.4	Low	82	Confident	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-99.9	-10.1	176.3	0	0	0	0	0	115.1	F397 A447 T448 G454 L455	F397-A452 HydrophobicContact CD1-CB 4.49Å; F397-A452 HydrophobicContact CE1-CB 3.57Å; F397-A452 HydrophobicContact CZ-CB 3.88Å; A447-A452 HydrophobicContact CB-CB 3.5Å; T448-A452 PolarHBondContact O-N 3.18Å; A452-G454 PolarHBondContact O-N 3.4Å; A452-L455 HydrophobicContact CB-CD1 3.76Å; A452-L455 HydrophobicContact CB-CG 4.45Å; A452-L455 WeakPolarHBondContact O-CG 3.15Å; A452-L455 PolarHBondContact O-N 2.94Å
453	R	67.7	Low	82.3	Confident	18 Å²	18	18.3 Å²	18.3	7%	0.068	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	137.7	163.7	-75.4	159.2	173.1	-152.2	-10.1	109.1	R304 D449 L455	R304-R453 PolarHBondContact NH2-O 2.79Å; D449-R453 WeakPolarHBondContact O-CB 3.33Å; D449-R453 WeakPolarHBondContact O-CD 3.3Å; D449-R453 WeakPolarHBondContact O-CG 3.37Å; D449-R453 PolarHBondContact O-N 3.18Å; D449-R453 VanDerWaalsContact O-N 3.15Å; R453-L455 VanDerWaalsContact C-N 3.29Å; R453-L455 PolarHBondContact O-N 2.83Å
454	G	60.3	Low	82.5	Confident	2 Å²	2	17.1 Å²	17.1	2%	0.021	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-8.1	-179.8	0	0	0	0	0	115.4	R304 A452 D456	R304-G454 VanDerWaalsContact NH1-CA 3.33Å; A452-G454 PolarHBondContact O-N 3.4Å; G454-D456 PolarHBondContact O-N 3.43Å
455	L	70.3	Confident	82.5	Confident	5 Å²	5	17 Å²	17	3%	0.026	10%	0.098	C	C	.	.			trans	-65	129.5	168	-62.8	-180	0	0	0	110.5	L421 I434 L445 A452 R453 R481	L421-L455 HydrophobicContact CD2-CD1 3.97Å; L421-L455 HydrophobicContact CD2-CD2 4.39Å; I434-L455 HydrophobicContact CD1-CD2 3.53Å; I434-L455 HydrophobicContact CG1-CD2 3.76Å; I434-L455 HydrophobicContact CG2-CD2 4.36Å; L445-L455 HydrophobicContact CD2-CD1 3.9Å; A452-L455 HydrophobicContact CB-CD1 3.76Å; A452-L455 HydrophobicContact CB-CG 4.45Å; A452-L455 WeakPolarHBondContact O-CG 3.15Å; A452-L455 PolarHBondContact O-N 2.94Å; R453-L455 VanDerWaalsContact C-N 3.29Å; R453-L455 PolarHBondContact O-N 2.83Å; L455-R481 WeakPolarHBondContact O-CD 3.26Å; L455-R481 PolarHBondContact O-NH1 2.75Å
456	D	69.4	Low	82.6	Confident	46 Å²	46	18.7 Å²	18.7	25%	0.246	11%	0.105	C	C	.	.			trans	-123.1	107.7	164.8	-165.2	1	0	0	0	109.8	Q234 G454 R484	Q234-D456 PolarHBondContact NE2-OD2 3.18Å; G454-D456 PolarHBondContact O-N 3.43Å; D456-R484 VanDerWaalsContact CB-NH1 3.31Å; D456-R484 VanDerWaalsContact OD1-CD 3.23Å; D456-R484 WeakPolarHBondContact OD1-CD 3.43Å; D456-R484 IonicContact OD1-CZ 2.84Å; D456-R484 IonicContact OD1-NE 3.02Å; D456-R484 IonicContact OD1-NH1 3.23Å; D456-R484 PolarHBondContact OD1-NH1 3.41Å; D456-R484 IonicContact OD2-NH1 2.7Å; D456-R484 PolarHBondContact OD2-NH1 3.38Å; D456-R484 VanDerWaalsContact OD2-NH1 3.13Å
457	I	76.6	Confident	82.6	Confident	5 Å²	5	20.1 Å²	20.1	3%	0.026	11%	0.112	C	C	.	.			trans	-140.7	88.6	-174.2	-55.9	-177.8	0	0	0	105.9	I434 F437 S459 I460	I434-I457 HydrophobicContact CG2-CD1 4.38Å; F437-I457 HydrophobicContact CD1-CD1 3.65Å; F437-I457 HydrophobicContact CD1-CG2 4.27Å; F437-I457 HydrophobicContact CE1-CD1 4.04Å; F437-I457 HydrophobicContact CE1-CG2 4.18Å; I457-S459 WeakPolarHBondContact CG2-OG 3.46Å; I457-S459 PolarHBondContact O-N 2.81Å; I457-I460 HydrophobicContact CB-CD1 3.92Å; I457-I460 HydrophobicContact CB-CG1 4.11Å; I457-I460 HydrophobicContact CG2-CG1 4.2Å; I457-I460 WeakPolarHBondContact O-CG1 3.32Å; I457-I460 PolarHBondContact O-N 3.22Å
458	P	71.4	Confident	82.6	Confident	71 Å²	71	21 Å²	21	46%	0.461	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.6	-171.4	-30.7	36.9	0	0	0	114.4	I460	P458-I460 PolarHBondContact O-N 3.39Å
459	S	81.7	Confident	82.6	Confident	30 Å²	30	20.5 Å²	20.5	21%	0.21	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-4.6	176.9	56.5	0	0	0	0	115.8	K393 I457 K461	K393-S459 WeakPolarHBondContact CB-O 3.32Å; K393-S459 WeakPolarHBondContact CD-OG 3.41Å; K393-S459 WeakPolarHBondContact CE-OG 3.37Å; K393-S459 PolarHBondContact N-O 2.96Å; K393-S459 PolarHBondContact NZ-OG 3.08Å; I457-S459 WeakPolarHBondContact CG2-OG 3.46Å; I457-S459 PolarHBondContact O-N 2.81Å; S459-K461 PolarHBondContact O-N 3.35Å; S459-K461 VanDerWaalsContact O-N 3.13Å
460	I	89.6	Confident	82.8	Confident	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	105.1	171.7	-61.3	168.5	0	0	0	108.6	L395 F437 I457 P458 T462 V463 R481 T482	L395-I460 HydrophobicContact CB-CD1 4.26Å; L395-I460 HydrophobicContact CB-CG2 4.05Å; L395-I460 HydrophobicContact CD2-CD1 4Å; F437-I460 HydrophobicContact CE1-CD1 4.03Å; F437-I460 HydrophobicContact CE1-CG1 3.77Å; F437-I460 HydrophobicContact CZ-CG1 4Å; I457-I460 HydrophobicContact CB-CD1 3.92Å; I457-I460 HydrophobicContact CB-CG1 4.11Å; I457-I460 HydrophobicContact CG2-CG1 4.2Å; I457-I460 WeakPolarHBondContact O-CG1 3.32Å; I457-I460 PolarHBondContact O-N 3.22Å; P458-I460 PolarHBondContact O-N 3.39Å; I460-T462 WeakPolarHBondContact CG2-O 3.47Å; I460-V463 HydrophobicContact CG2-CG2 4.05Å; I460-R481 HydrophobicContact CD1-CB 4.29Å; I460-T482 VanDerWaalsContact O-CB 3.28Å; I460-T482 WeakPolarHBondContact O-CB 3.31Å; I460-T482 PolarHBondContact O-OG1 3.01Å
461	K	92.1	Very high	83.5	Confident	48 Å²	48	23.6 Å²	23.6	21%	0.209	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-23.6	175.4	-60	-54	-172.2	-176.7	0	113	V391 K393 S459 E487 S490	V391-K461 HydrophobicContact CG1-CB 4.11Å; K393-K461 PolarHBondContact O-N 3.17Å; S459-K461 PolarHBondContact O-N 3.35Å; S459-K461 VanDerWaalsContact O-N 3.13Å; K461-E487 IonicContact NZ-OE1 3.87Å; K461-E487 PolarHBondContact NZ-OE1 3.11Å; K461-E487 IonicContact NZ-OE2 2.64Å; K461-E487 PolarHBondContact NZ-OE2 2.95Å; K461-S490 PolarHBondContact O-N 3.03Å
462	T	95	Very high	84.4	Confident	3 Å²	3	25.1 Å²	25.1	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.6	-179	-53.3	0	0	0	0	112.1	F388 K393 V394 L395 I460 V464 S490 Y492	F388-T462 HydrophobicContact CB-CG2 4.32Å; F388-T462 HydrophobicContact CD1-CG2 4.06Å; F388-T462 HydrophobicContact CD2-CG2 4.07Å; F388-T462 HydrophobicContact CE1-CG2 4.37Å; F388-T462 HydrophobicContact CE2-CG2 4.37Å; F388-T462 HydrophobicContact CG-CG2 3.91Å; K393-T462 PolarHBondContact O-N 3.3Å; K393-T462 VanDerWaalsContact O-N 3.16Å; V394-T462 WeakPolarHBondContact CA-O 3.33Å; V394-T462 HydrophobicContact CG1-CG2 4.47Å; L395-T462 PolarHBondContact N-O 3.22Å; I460-T462 WeakPolarHBondContact CG2-O 3.47Å; T462-V464 HydrophobicContact CG2-CG2 4.08Å; T462-S490 CarbonylContact C-O 3.54Å; T462-S490 WeakPolarHBondContact CA-O 3.39Å; T462-Y492 HydrophobicContact CG2-CD2 3.75Å; T462-Y492 HydrophobicContact CG2-CE2 3.92Å
463	V	95.2	Very high	85	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.7	166.6	176.5	0	0	0	0	108.8	L395 F397 I460 R481 T482 S490 A491 Y492	L395-V463 CarbonylContact O-C 3.55Å; L395-V463 WeakPolarHBondContact O-CA 3.48Å; F397-V463 HydrophobicContact CD2-CG1 3.81Å; F397-V463 HydrophobicContact CE2-CG1 4.01Å; I460-V463 HydrophobicContact CG2-CG2 4.05Å; V463-R481 HydrophobicContact CG2-CB 4.15Å; V463-T482 HydrophobicContact CB-CG2 4.4Å; V463-T482 HydrophobicContact CG2-CG2 3.77Å; V463-S490 PolarHBondContact N-O 3.41Å; V463-A491 HydrophobicContact CB-CB 4.44Å; V463-A491 CarbonylContact O-C 3.57Å; V463-A491 WeakPolarHBondContact O-CA 3.49Å; V463-Y492 PolarHBondContact O-N 2.95Å
464	V	97.2	Very high	85.8	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	107.1	174	-174.1	0	0	0	0	109.2	W380 L381 F388 V394 L395 I396 F397 T462 Y466 Y492 L494	W380-V464 HydrophobicContact CZ3-CG1 4.03Å; L381-V464 HydrophobicContact CD1-CG1 4.18Å; F388-V464 HydrophobicContact CD2-CG2 4.25Å; F388-V464 HydrophobicContact CE2-CG2 4.06Å; V394-V464 HydrophobicContact CG1-CG2 4.05Å; L395-V464 PolarHBondContact O-N 3.5Å; I396-V464 CarbonylContact C-O 3.57Å; I396-V464 WeakPolarHBondContact CA-O 3.46Å; I396-V464 HydrophobicContact CG1-CB 4.39Å; I396-V464 HydrophobicContact CG2-CB 4.49Å; F397-V464 PolarHBondContact N-O 2.96Å; T462-V464 HydrophobicContact CG2-CG2 4.08Å; V464-Y466 VanDerWaalsContact C-N 3.33Å; V464-Y466 PolarHBondContact O-N 3.3Å; V464-Y492 CarbonylContact C-O 3.59Å; V464-Y492 WeakPolarHBondContact CA-O 3.47Å; V464-L494 HydrophobicContact CG1-CD1 4.41Å; V464-L494 HydrophobicContact CG1-CG 4.44Å
465	N	97	Very high	87.2	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	89.5	165.6	-63.9	-56.5	0	0	0	108	D467 H475 R478 Y492 T493 L494	N465-D467 VanDerWaalsContact C-N 3.35Å; N465-D467 CarbonylContact C-O 3.58Å; N465-H475 PolarHBondContact ND2-ND1 3.48Å; N465-R478 WeakPolarHBondContact OD1-CD 3.25Å; N465-R478 PolarHBondContact OD1-NH1 2.73Å; N465-Y492 PolarHBondContact N-O 3.27Å; N465-T493 HydrophobicContact CB-CG2 3.88Å; N465-T493 PolarHBondContact ND2-OG1 2.79Å; N465-L494 PolarHBondContact O-N 3.09Å
466	Y	96.7	Very high	87.9	Confident	35 Å²	35	27 Å²	27	14%	0.137	14%	0.142	C	C	.	.	S	Bend	trans	-66	-42.9	176.8	-172.1	-95.9	0	0	0	110	K377 W378 L381 F397 L407 V464 L494	K377-Y466 HydrophobicContact CB-CD2 4.3Å; K377-Y466 HydrophobicContact CB-CE1 4.31Å; K377-Y466 HydrophobicContact CB-CE2 3.61Å; K377-Y466 HydrophobicContact CD-CD1 4.44Å; K377-Y466 HydrophobicContact CD-CE1 4.23Å; K377-Y466 VanDerWaalsContact CD-O 3.32Å; K377-Y466 WeakPolarHBondContact CD-O 3.24Å; K377-Y466 WeakPolarHBondContact CE-O 3.4Å; K377-Y466 PolarHBondContact NZ-O 2.79Å; W378-Y466 PolarHBondContact N-OH 2.86Å; L381-Y466 HydrophobicContact CB-CD2 4.37Å; L381-Y466 HydrophobicContact CB-CE2 4.16Å; L381-Y466 HydrophobicContact CD2-CD2 3.89Å; L381-Y466 HydrophobicContact CD2-CE2 3.88Å; F397-Y466 WeakPolarHBondContact O-CB 3.37Å; F397-Y466 PolarHBondContact O-N 3.22Å; L407-Y466 HydrophobicContact CD1-CE1 4.38Å; L407-Y466 HydrophobicContact CD1-CE2 4.14Å; L407-Y466 HydrophobicContact CD2-CD1 4.09Å; L407-Y466 HydrophobicContact CD2-CD2 4.2Å; L407-Y466 HydrophobicContact CD2-CE1 4.39Å; L407-Y466 HydrophobicContact CD2-CE2 4.5Å; L407-Y466 HydrophobicContact CD2-CG 3.97Å; V464-Y466 VanDerWaalsContact C-N 3.33Å; V464-Y466 PolarHBondContact O-N 3.3Å; Y466-L494 HydrophobicContact CD2-CD1 3.82Å; Y466-L494 HydrophobicContact CE2-CD1 4.32Å
467	D	94.7	Very high	88.5	Confident	29 Å²	29	25.4 Å²	25.4	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-102.4	149.2	161.2	-71.9	-34	0	0	0	111.1	K377 F397 S399 H403 N465 R478	K377-D467 IonicContact NZ-OD1 3.79Å; K377-D467 PolarHBondContact NZ-OD1 2.84Å; F397-D467 PolarHBondContact O-N 3.13Å; S399-D467 PolarHBondContact N-OD2 3.11Å; S399-D467 WeakPolarHBondContact OG-CB 3.46Å; H403-D467 IonicContact ND1-OD2 2.77Å; N465-D467 VanDerWaalsContact C-N 3.35Å; N465-D467 CarbonylContact C-O 3.58Å; D467-R478 PolarHBondContact O-NH1 3.22Å
468	V	93.8	Very high	89.1	Confident	19 Å²	19	25.3 Å²	25.3	12%	0.115	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-63.2	153.9	170.8	-61.6	0	0	0	0	111	S399 T493 V495 D499 F502	S399-V468 PolarHBondContact OG-O 3.46Å; V468-T493 HydrophobicContact CG1-CG2 4.33Å; V468-V495 HydrophobicContact CG1-CG2 4.1Å; V468-D499 HydrophobicContact CG1-CB 3.96Å; V468-D499 HydrophobicContact CG2-CB 4.11Å; V468-D499 WeakPolarHBondContact CG2-OD1 3.46Å; V468-F502 HydrophobicContact CB-CD1 3.84Å; V468-F502 HydrophobicContact CB-CE1 4.35Å; V468-F502 HydrophobicContact CB-CG 4.46Å; V468-F502 HydrophobicContact CG1-CD1 4.22Å; V468-F502 HydrophobicContact CG2-CD1 4.44Å
469	A	91.9	Very high	90	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.033	11%	0.11	C	C	.	.	P	Polyproline II helix	trans	-74.3	155.1	175.2	0	0	0	0	0	111.2	D471 T474 H475 F502	A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 PolarHBondContact O-N 3.48Å; A469-T474 HydrophobicContact CB-CG2 4.06Å; A469-H475 HydrophobicContact CB-CB 3.8Å; A469-F502 HydrophobicContact CB-CZ 4.21Å
470	R	88.4	Confident	90.1	Very high	141 Å²	141	20.5 Å²	20.5	53%	0.532	10%	0.101	S	C	.	.	S	Bend	trans	-64.8	-29	178.3	76.3	-173	-167.8	168.3	8.2	113.8	D307 T474	D307-R470 IonicContact OD2-NH2 3.21Å; R470-T474 PolarHBondContact NE-OG1 2.97Å
471	D	88	Confident	90	Very high	37 Å²	37	20.7 Å²	20.7	20%	0.198	10%	0.101	C	C	.	.	S	Bend	trans	-152.1	164.3	-176.8	63.2	55.7	0	0	0	110.4	A469 D473 T474 H475	A469-D471 VanDerWaalsContact C-N 3.27Å; A469-D471 PolarHBondContact O-N 3.48Å; D471-D473 PolarHBondContact OD1-N 3.01Å; D471-T474 PolarHBondContact O-N 3.03Å; D471-T474 WeakPolarHBondContact OD1-CA 3.46Å; D471-T474 WeakPolarHBondContact OD1-CB 3.25Å; D471-T474 PolarHBondContact OD1-N 3.13Å; D471-T474 PolarHBondContact OD1-OG1 3.46Å; D471-T474 PolarHBondContact OD2-OG1 3.44Å; D471-T474 VanDerWaalsContact OD2-OG1 3.12Å; D471-H475 PolarHBondContact O-N 2.84Å; D471-H475 VanDerWaalsContact O-N 3.09Å
472	A	86.7	Confident	89.8	Confident	33 Å²	33	18.6 Å²	18.6	27%	0.273	9%	0.092	S	C	.	.	H	α-helix	trans	-68.2	-35.8	-173.2	0	0	0	0	0	112.8	H475 V476 H505	A472-H475 WeakPolarHBondContact O-CB 3.44Å; A472-H475 PolarHBondContact O-N 3.45Å; A472-V476 PolarHBondContact O-N 3.02Å; A472-H505 HydrophobicContact CB-CB 4.19Å
473	D	81.4	Confident	89.3	Confident	39 Å²	39	18.5 Å²	18.5	21%	0.209	9%	0.092	C	C	.	.	H	α-helix	trans	-68.5	-39.7	179.3	-38.1	-91.4	0	0	0	110.5	T333 K335 D471 H475 V476 H477	T333-D473 HydrophobicContact CG2-CB 4.13Å; K335-D473 WeakPolarHBondContact CE-OD1 3.38Å; K335-D473 WeakPolarHBondContact CE-OD2 3.47Å; K335-D473 IonicContact NZ-OD1 2.83Å; K335-D473 IonicContact NZ-OD2 3.72Å; K335-D473 PolarHBondContact NZ-OD2 3.21Å; D471-D473 PolarHBondContact OD1-N 3.01Å; D473-H475 VanDerWaalsContact C-N 3.33Å; D473-H475 PolarHBondContact O-N 3.42Å; D473-V476 PolarHBondContact O-N 3.3Å; D473-H477 WeakPolarHBondContact O-CB 3.42Å; D473-H477 VanDerWaalsContact O-CG 3.29Å; D473-H477 PolarHBondContact O-N 2.9Å; D473-H477 PolarHBondContact O-ND1 3.25Å
474	T	84.9	Confident	88.4	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-62.6	-39.8	172.9	-59.1	0	0	0	0	110.5	D449 A469 R470 D471 H477 R478	D449-T474 WeakPolarHBondContact OD1-CG2 3.45Å; A469-T474 HydrophobicContact CB-CG2 4.06Å; R470-T474 PolarHBondContact NE-OG1 2.97Å; D471-T474 PolarHBondContact O-N 3.03Å; D471-T474 WeakPolarHBondContact OD1-CA 3.46Å; D471-T474 WeakPolarHBondContact OD1-CB 3.25Å; D471-T474 PolarHBondContact OD1-N 3.13Å; D471-T474 PolarHBondContact OD1-OG1 3.46Å; D471-T474 PolarHBondContact OD2-OG1 3.44Å; D471-T474 VanDerWaalsContact OD2-OG1 3.12Å; T474-H477 PolarHBondContact O-N 2.95Å; T474-R478 HydrophobicContact CG2-CG 4.48Å; T474-R478 WeakPolarHBondContact O-CG 3.41Å; T474-R478 PolarHBondContact O-N 3.42Å
475	H	89.4	Confident	87.1	Confident	4 Å²	4	23.9 Å²	23.9	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-59.5	-48.1	172.1	175.5	69.4	0	0	0	112	N465 A469 D471 A472 D473 H477 R478 I479 T493 F502 L506	N465-H475 PolarHBondContact ND2-ND1 3.48Å; A469-H475 HydrophobicContact CB-CB 3.8Å; D471-H475 PolarHBondContact O-N 2.84Å; D471-H475 VanDerWaalsContact O-N 3.09Å; A472-H475 WeakPolarHBondContact O-CB 3.44Å; A472-H475 PolarHBondContact O-N 3.45Å; D473-H475 VanDerWaalsContact C-N 3.33Å; D473-H475 PolarHBondContact O-N 3.42Å; H475-H477 VanDerWaalsContact C-N 3.3Å; H475-H477 PolarHBondContact O-N 2.94Å; H475-R478 PolarHBondContact O-N 3.22Å; H475-I479 WeakPolarHBondContact O-CG1 3.28Å; H475-I479 PolarHBondContact O-N 3.49Å; H475-T493 PolarHBondContact CE1-OG1 3.41Å; H475-F502 HydrophobicContact CB-CE1 4.31Å; H475-F502 HydrophobicContact CB-CZ 3.91Å; H475-L506 VanDerWaalsContact CE1-CD2 3.47Å; H475-L506 WeakPolarHBondContact CE1-CD2 3.43Å; H475-L506 WeakPolarHBondContact NE2-CD2 3.32Å
476	V	85.1	Confident	85.9	Confident	19 Å²	19	26.9 Å²	26.9	12%	0.115	16%	0.164	C	C	.	.	H	α-helix	trans	-57.6	-42.2	174.7	172.2	0	0	0	0	111.3	A360 A472 D473 R478 I479 G480	A360-V476 HydrophobicContact CB-CG2 4.48Å; A472-V476 PolarHBondContact O-N 3.02Å; D473-V476 PolarHBondContact O-N 3.3Å; V476-R478 PolarHBondContact O-N 3.46Å; V476-I479 WeakPolarHBondContact O-CG1 3.37Å; V476-G480 PolarHBondContact O-N 3.29Å
477	H	81.1	Confident	85.2	Confident	14 Å²	14	29.3 Å²	29.3	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-69.4	-29	177.4	-69.9	132.8	0	0	0	114.8	D303 A332 D473 T474 H475 R481	D303-H477 IonicContact OD2-CE1 3.6Å; A332-H477 WeakPolarHBondContact CB-NE2 3.48Å; D473-H477 WeakPolarHBondContact O-CB 3.42Å; D473-H477 VanDerWaalsContact O-CG 3.29Å; D473-H477 PolarHBondContact O-N 2.9Å; D473-H477 PolarHBondContact O-ND1 3.25Å; T474-H477 PolarHBondContact O-N 2.95Å; H475-H477 VanDerWaalsContact C-N 3.3Å; H475-H477 PolarHBondContact O-N 2.94Å; H477-R481 PolarHBondContact O-NE 2.89Å; H477-R481 PolarHBondContact O-NH2 3.34Å
478	R	89.7	Confident	84.8	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-72.7	-53.8	173.6	-73.9	-173.1	-175.9	-174.1	1.2	111.1	F397 S399 D449 N465 D467 T474 H475 V476 G480 R481	F397-R478 HydrophobicContact CD1-CG 3.76Å; F397-R478 HydrophobicContact CD2-CB 3.78Å; F397-R478 HydrophobicContact CD2-CG 3.86Å; F397-R478 HydrophobicContact CE1-CB 4.45Å; F397-R478 HydrophobicContact CE1-CG 3.76Å; F397-R478 HydrophobicContact CE2-CB 3.65Å; F397-R478 HydrophobicContact CE2-CG 3.87Å; F397-R478 HydrophobicContact CG-CB 4.24Å; F397-R478 HydrophobicContact CG-CG 3.8Å; F397-R478 HydrophobicContact CZ-CB 4.01Å; F397-R478 HydrophobicContact CZ-CG 3.82Å; S399-R478 PolarHBondContact OG-NH2 2.9Å; D449-R478 IonicContact OD1-CZ 3.73Å; D449-R478 IonicContact OD1-NE 3.54Å; D449-R478 PolarHBondContact OD1-NE 3.33Å; D449-R478 IonicContact OD1-NH2 3.18Å; D449-R478 IonicContact OD2-CZ 3.83Å; D449-R478 IonicContact OD2-NE 3.93Å; D449-R478 PolarHBondContact OD2-NE 3.17Å; D449-R478 IonicContact OD2-NH2 2.82Å; D449-R478 PolarHBondContact OD2-NH2 3.22Å; N465-R478 WeakPolarHBondContact OD1-CD 3.25Å; N465-R478 PolarHBondContact OD1-NH1 2.73Å; D467-R478 PolarHBondContact O-NH1 3.22Å; T474-R478 HydrophobicContact CG2-CG 4.48Å; T474-R478 WeakPolarHBondContact O-CG 3.41Å; T474-R478 PolarHBondContact O-N 3.42Å; H475-R478 PolarHBondContact O-N 3.22Å; V476-R478 PolarHBondContact O-N 3.46Å; R478-G480 VanDerWaalsContact C-N 3.26Å; R478-G480 PolarHBondContact O-N 2.74Å; R478-R481 WeakPolarHBondContact O-CB 3.42Å; R478-R481 WeakPolarHBondContact O-CG 3.18Å; R478-R481 PolarHBondContact O-N 3.21Å; R478-R481 VanDerWaalsContact O-N 3.14Å
479	I	89.6	Confident	84.7	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-37.4	179.3	68.7	-178.4	0	0	0	110.7	A360 I364 Q366 H475 V476 R481 T482 A491	A360-I479 HydrophobicContact CB-CD1 3.78Å; I364-I479 HydrophobicContact CD1-CB 4.24Å; I364-I479 HydrophobicContact CD1-CG1 4.03Å; I364-I479 WeakPolarHBondContact CD1-O 3.33Å; Q366-I479 HydrophobicContact CG-CD1 3.95Å; H475-I479 WeakPolarHBondContact O-CG1 3.28Å; H475-I479 PolarHBondContact O-N 3.49Å; V476-I479 WeakPolarHBondContact O-CG1 3.37Å; I479-R481 PolarHBondContact O-N 3Å; I479-T482 WeakPolarHBondContact O-CG2 3.33Å; I479-T482 PolarHBondContact O-N 2.94Å; I479-A491 HydrophobicContact CB-CB 3.73Å; I479-A491 HydrophobicContact CG2-CB 3.62Å
480	G	85.6	Confident	84.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.01	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	7.2	173.5	0	0	0	0	0	116.3	T192 V476 R478 T482 R484	T192-G480 PolarHBondContact OG1-O 2.94Å; V476-G480 PolarHBondContact O-N 3.29Å; R478-G480 VanDerWaalsContact C-N 3.26Å; R478-G480 PolarHBondContact O-N 2.74Å; G480-T482 VanDerWaalsContact C-N 3.35Å; G480-R484 VanDerWaalsContact O-CZ 3.25Å; G480-R484 PolarHBondContact O-NE 2.84Å; G480-R484 PolarHBondContact O-NH2 2.95Å
481	R	86.8	Confident	85.2	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.019	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-16.2	163.6	-59.5	-57	119.7	-177.9	3	113	L395 F397 L455 I460 V463 H477 R478 I479 R484	L395-R481 HydrophobicContact CD2-CB 3.68Å; L395-R481 HydrophobicContact CD2-CG 3.72Å; F397-R481 HydrophobicContact CE2-CG 4.07Å; F397-R481 HydrophobicContact CZ-CG 3.93Å; L455-R481 WeakPolarHBondContact O-CD 3.26Å; L455-R481 PolarHBondContact O-NH1 2.75Å; I460-R481 HydrophobicContact CD1-CB 4.29Å; V463-R481 HydrophobicContact CG2-CB 4.15Å; H477-R481 PolarHBondContact O-NE 2.89Å; H477-R481 PolarHBondContact O-NH2 3.34Å; R478-R481 WeakPolarHBondContact O-CB 3.42Å; R478-R481 WeakPolarHBondContact O-CG 3.18Å; R478-R481 PolarHBondContact O-N 3.21Å; R478-R481 VanDerWaalsContact O-N 3.14Å; I479-R481 PolarHBondContact O-N 3Å; R481-R484 VanDerWaalsContact CZ-NH2 3.32Å; R481-R484 VanDerWaalsContact NH1-NH2 3.18Å
482	T	88.5	Confident	85.6	Confident	3 Å²	3	30.2 Å²	30.2	2%	0.018	18%	0.183	C	C	.	.	S	Bend	trans	-113.2	179	166.7	-167	0	0	0	0	111.3	I364 I460 V463 I479 G480 G489	I364-T482 HydrophobicContact CG1-CG2 4.33Å; I364-T482 HydrophobicContact CG2-CG2 4.11Å; I460-T482 VanDerWaalsContact O-CB 3.28Å; I460-T482 WeakPolarHBondContact O-CB 3.31Å; I460-T482 PolarHBondContact O-OG1 3.01Å; V463-T482 HydrophobicContact CB-CG2 4.4Å; V463-T482 HydrophobicContact CG2-CG2 3.77Å; I479-T482 WeakPolarHBondContact O-CG2 3.33Å; I479-T482 PolarHBondContact O-N 2.94Å; G480-T482 VanDerWaalsContact C-N 3.35Å; T482-G489 WeakPolarHBondContact OG1-CA 3.25Å
483	G	83.1	Confident	86.1	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	71.2	36.6	179.6	0	0	0	0	0	114.3	N361 E487	N361-G483 PolarHBondContact ND2-O 2.82Å; G483-E487 CarbonylContact C-O 3.58Å; G483-E487 VanDerWaalsContact C-O 3.26Å; G483-E487 VanDerWaalsContact CA-O 3.24Å; G483-E487 WeakPolarHBondContact CA-O 3.22Å
484	R	77.6	Confident	86.8	Confident	18 Å²	18	26.9 Å²	26.9	7%	0.068	16%	0.16	C	C	.	.			trans	-99.6	151.1	-169.9	-65.4	-173	169.8	-141.9	-3.6	112.3	D456 G480 R481 G486 E487	D456-R484 VanDerWaalsContact CB-NH1 3.31Å; D456-R484 VanDerWaalsContact OD1-CD 3.23Å; D456-R484 WeakPolarHBondContact OD1-CD 3.43Å; D456-R484 IonicContact OD1-CZ 2.84Å; D456-R484 IonicContact OD1-NE 3.02Å; D456-R484 IonicContact OD1-NH1 3.23Å; D456-R484 PolarHBondContact OD1-NH1 3.41Å; D456-R484 IonicContact OD2-NH1 2.7Å; D456-R484 PolarHBondContact OD2-NH1 3.38Å; D456-R484 VanDerWaalsContact OD2-NH1 3.13Å; G480-R484 VanDerWaalsContact O-CZ 3.25Å; G480-R484 PolarHBondContact O-NE 2.84Å; G480-R484 PolarHBondContact O-NH2 2.95Å; R481-R484 VanDerWaalsContact CZ-NH2 3.32Å; R481-R484 VanDerWaalsContact NH1-NH2 3.18Å; R484-G486 PolarHBondContact O-N 3.16Å; R484-G486 VanDerWaalsContact O-N 3.07Å; R484-E487 WeakPolarHBondContact O-CB 3.35Å; R484-E487 PolarHBondContact O-N 3.24Å
485	A	68.8	Low	87.3	Confident	95 Å²	95	26.8 Å²	26.8	79%	0.785	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	29.1	175.6	0	0	0	0	0	115.6	E487	A485-E487 VanDerWaalsContact C-N 3.32Å
486	G	72.2	Confident	87.6	Confident	63 Å²	63	27 Å²	27	65%	0.649	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	-6.5	-177.5	0	0	0	0	0	114.8	R484	R484-G486 PolarHBondContact O-N 3.16Å; R484-G486 VanDerWaalsContact O-N 3.07Å
487	E	81.3	Confident	87.9	Confident	85 Å²	85	32 Å²	32	40%	0.397	18%	0.184	S	C	.	.			trans	-68.1	144.9	165.6	-61.1	-152	108.6	0	0	110.9	K461 G483 R484 A485	K461-E487 IonicContact NZ-OE1 3.87Å; K461-E487 PolarHBondContact NZ-OE1 3.11Å; K461-E487 IonicContact NZ-OE2 2.64Å; K461-E487 PolarHBondContact NZ-OE2 2.95Å; G483-E487 CarbonylContact C-O 3.58Å; G483-E487 VanDerWaalsContact C-O 3.26Å; G483-E487 VanDerWaalsContact CA-O 3.24Å; G483-E487 WeakPolarHBondContact CA-O 3.22Å; R484-E487 WeakPolarHBondContact O-CB 3.35Å; R484-E487 PolarHBondContact O-N 3.24Å; A485-E487 VanDerWaalsContact C-N 3.32Å
488	K	87.4	Confident	88.4	Confident	178 Å²	178	40.7 Å²	40.7	77%	0.774	22%	0.221	S	C	*	.			trans	-82.3	146.8	172	-65.2	-172.9	179.5	-176.4	0	111.5	D363	D363-K488 WeakPolarHBondContact O-CA 3.48Å
489	G	91.4	Very high	88.6	Confident	4 Å²	4	42 Å²	42	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	163.3	174.2	0	0	0	0	0	112.7	D363 I364 E365 T482	D363-G489 PolarHBondContact O-N 3.26Å; I364-G489 CarbonylContact C-O 3.6Å; I364-G489 WeakPolarHBondContact CA-O 3.31Å; E365-G489 PolarHBondContact N-O 2.98Å; T482-G489 WeakPolarHBondContact OG1-CA 3.25Å
490	S	94.3	Very high	88.7	Confident	29 Å²	29	45.8 Å²	45.8	20%	0.203	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.8	172.7	-54.7	0	0	0	0	110.8	E365 K461 T462 V463	E365-S490 CarbonylContact O-C 3.59Å; E365-S490 WeakPolarHBondContact O-CA 3.42Å; K461-S490 PolarHBondContact O-N 3.03Å; T462-S490 CarbonylContact C-O 3.54Å; T462-S490 WeakPolarHBondContact CA-O 3.39Å; V463-S490 PolarHBondContact N-O 3.41Å
491	A	95.4	Very high	89	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.2	-179.4	0	0	0	0	0	111.6	I364 E365 Q366 A367 V463 I479	I364-A491 HydrophobicContact CG2-CB 3.46Å; I364-A491 VanDerWaalsContact CG2-CB 3.46Å; E365-A491 PolarHBondContact O-N 3.24Å; Q366-A491 WeakPolarHBondContact CA-O 3.33Å; Q366-A491 HydrophobicContact CG-CB 4.43Å; A367-A491 PolarHBondContact N-O 3.5Å; V463-A491 HydrophobicContact CB-CB 4.44Å; V463-A491 CarbonylContact O-C 3.57Å; V463-A491 WeakPolarHBondContact O-CA 3.49Å; I479-A491 HydrophobicContact CB-CB 3.73Å; I479-A491 HydrophobicContact CG2-CB 3.62Å
492	Y	97.1	Very high	89.3	Confident	38 Å²	38	50.7 Å²	50.7	15%	0.149	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.4	178	-63.8	-87.6	0	0	0	110.8	A367 W380 F388 T462 V463 V464 N465	A367-Y492 HydrophobicContact CB-CD1 3.57Å; A367-Y492 HydrophobicContact CB-CE1 3.65Å; A367-Y492 HydrophobicContact CB-CG 4.47Å; A367-Y492 CarbonylContact O-C 3.56Å; A367-Y492 WeakPolarHBondContact O-CA 3.41Å; W380-Y492 AromaticContact CH2-CD1 3.66Å; W380-Y492 HydrophobicContact CH2-CD1 3.66Å; W380-Y492 HydrophobicContact CH2-CD2 4.28Å; W380-Y492 HydrophobicContact CH2-CE1 4.48Å; W380-Y492 AromaticContact CH2-CG 3.55Å; W380-Y492 HydrophobicContact CH2-CG 3.55Å; W380-Y492 AromaticContact CZ2-CD1 3.56Å; W380-Y492 HydrophobicContact CZ2-CD1 3.56Å; W380-Y492 HydrophobicContact CZ2-CE1 4.22Å; W380-Y492 AromaticContact CZ2-CG 3.98Å; W380-Y492 HydrophobicContact CZ2-CG 3.98Å; F388-Y492 HydrophobicContact CD1-CE2 4.2Å; F388-Y492 AromaticContact CE1-CD2 3.93Å; F388-Y492 HydrophobicContact CE1-CD2 3.93Å; F388-Y492 HydrophobicContact CE1-CE1 4.47Å; F388-Y492 AromaticContact CE1-CE2 3.29Å; F388-Y492 HydrophobicContact CE1-CE2 3.29Å; F388-Y492 AromaticContact CE1-CZ 3.63Å; F388-Y492 HydrophobicContact CE2-CD2 4.15Å; F388-Y492 HydrophobicContact CE2-CE2 4.35Å; F388-Y492 HydrophobicContact CZ-CD1 4.33Å; F388-Y492 AromaticContact CZ-CD2 3.52Å; F388-Y492 HydrophobicContact CZ-CD2 3.52Å; F388-Y492 HydrophobicContact CZ-CE1 4.22Å; F388-Y492 AromaticContact CZ-CE2 3.37Å; F388-Y492 HydrophobicContact CZ-CE2 3.37Å; F388-Y492 HydrophobicContact CZ-CG 4.02Å; F388-Y492 AromaticContact CZ-CZ 3.76Å; T462-Y492 HydrophobicContact CG2-CD2 3.75Å; T462-Y492 HydrophobicContact CG2-CE2 3.92Å; V463-Y492 PolarHBondContact O-N 2.95Å; V464-Y492 CarbonylContact C-O 3.59Å; V464-Y492 WeakPolarHBondContact CA-O 3.47Å; N465-Y492 PolarHBondContact N-O 3.27Å
493	T	97	Very high	89.5	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.6	178	-56.7	0	0	0	0	111.6	A367 E369 N465 V468 H475 V495 L506	A367-T493 PolarHBondContact O-N 3.25Å; E369-T493 PolarHBondContact N-O 3.35Å; N465-T493 HydrophobicContact CB-CG2 3.88Å; N465-T493 PolarHBondContact ND2-OG1 2.79Å; V468-T493 HydrophobicContact CG1-CG2 4.33Å; H475-T493 PolarHBondContact CE1-OG1 3.41Å; T493-V495 HydrophobicContact CG2-CG2 4.09Å; T493-L506 HydrophobicContact CG2-CD1 4.02Å; T493-L506 HydrophobicContact CG2-CD2 4.22Å
494	L	97	Very high	90	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	106.3	-172.5	-50.3	-170.9	0	0	0	110.6	E369 L371 K377 W380 V464 N465 Y466	E369-L494 HydrophobicContact CB-CD2 3.88Å; E369-L494 HydrophobicContact CG-CD2 4.26Å; L371-L494 HydrophobicContact CD1-CB 4.23Å; L371-L494 HydrophobicContact CD1-CD2 4.3Å; K377-L494 HydrophobicContact CB-CD1 4.05Å; K377-L494 HydrophobicContact CD-CB 4.31Å; K377-L494 HydrophobicContact CG-CB 4.15Å; K377-L494 HydrophobicContact CG-CD1 4.4Å; W380-L494 HydrophobicContact CD2-CD1 4.45Å; W380-L494 HydrophobicContact CD2-CD2 3.65Å; W380-L494 HydrophobicContact CE3-CD1 3.74Å; W380-L494 HydrophobicContact CE3-CD2 3.46Å; W380-L494 VanDerWaalsContact CE3-CD2 3.46Å; W380-L494 HydrophobicContact CE3-CG 4.21Å; W380-L494 HydrophobicContact CG-CD2 4.32Å; W380-L494 HydrophobicContact CH2-CD2 4.1Å; W380-L494 HydrophobicContact CZ2-CD2 4.23Å; W380-L494 HydrophobicContact CZ3-CD1 4.25Å; W380-L494 HydrophobicContact CZ3-CD2 3.72Å; W380-L494 HydrophobicContact CZ3-CG 4.46Å; V464-L494 HydrophobicContact CG1-CD1 4.41Å; V464-L494 HydrophobicContact CG1-CG 4.44Å; N465-L494 PolarHBondContact O-N 3.09Å; Y466-L494 HydrophobicContact CD2-CD1 3.82Å; Y466-L494 HydrophobicContact CE2-CD1 4.32Å
495	V	95.9	Very high	90.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.2	-171.6	179.3	0	0	0	0	109.4	V368 E369 V370 L371 V468 T493 D499 L506 L521 L524	V368-V495 HydrophobicContact CG1-CB 4.39Å; V368-V495 HydrophobicContact CG1-CG2 3.48Å; V368-V495 VanDerWaalsContact CG1-CG2 3.48Å; E369-V495 PolarHBondContact O-N 2.78Å; V370-V495 CarbonylContact C-O 3.55Å; V370-V495 WeakPolarHBondContact CA-O 3.47Å; V370-V495 HydrophobicContact CG2-CB 4.32Å; V370-V495 HydrophobicContact CG2-CG1 4.38Å; L371-V495 PolarHBondContact N-O 3.04Å; V468-V495 HydrophobicContact CG1-CG2 4.1Å; T493-V495 HydrophobicContact CG2-CG2 4.09Å; V495-D499 HydrophobicContact CG1-CB 4.02Å; V495-L506 HydrophobicContact CG2-CD1 3.49Å; V495-L506 VanDerWaalsContact CG2-CD1 3.49Å; V495-L521 HydrophobicContact CG1-CD1 4.44Å; V495-L524 HydrophobicContact CG1-CD2 3.55Å
496	T	94.3	Very high	91.8	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	24%	0.24	C	C	.	.			trans	-122.9	172.9	172.7	65.8	0	0	0	0	110.5	K377 K498 D499	K377-T496 HydrophobicContact CG-CG2 4.43Å; T496-K498 PolarHBondContact O-N 2.82Å; T496-K498 VanDerWaalsContact O-N 3.13Å; T496-D499 WeakPolarHBondContact CA-OD2 3.36Å; T496-D499 WeakPolarHBondContact CB-OD2 3.16Å; T496-D499 PolarHBondContact N-OD2 2.86Å; T496-D499 WeakPolarHBondContact O-CB 3.35Å; T496-D499 PolarHBondContact O-N 2.86Å; T496-D499 PolarHBondContact OG1-OD2 3.39Å
497	E	92.4	Very high	92.7	Very high	124 Å²	124	45.4 Å²	45.4	58%	0.579	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-56.8	-29.4	178.2	-169.8	-179.4	-172.6	0	0	113.3	D499 K500 L524	E497-D499 PolarHBondContact O-N 2.91Å; E497-K500 WeakPolarHBondContact O-CB 3.38Å; E497-K500 PolarHBondContact O-N 3.16Å; E497-L524 HydrophobicContact CG-CD1 4.48Å
498	K	91.9	Very high	93.1	Very high	197 Å²	197	46.2 Å²	46.2	86%	0.857	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-61.1	-28.8	174.9	-62.9	-174.2	178.2	-175.7	0	112.7	T496 K500	T496-K498 PolarHBondContact O-N 2.82Å; T496-K498 VanDerWaalsContact O-N 3.13Å; K498-K500 VanDerWaalsContact C-N 3.31Å; K498-K500 PolarHBondContact O-N 2.84Å
499	D	92.5	Very high	93.1	Very high	29 Å²	29	38.5 Å²	38.5	16%	0.155	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-90.2	9.7	-172.4	-50.9	-60.3	0	0	0	112.9	V468 V495 T496 E497 E501 F502 A503	V468-D499 HydrophobicContact CG1-CB 3.96Å; V468-D499 HydrophobicContact CG2-CB 4.11Å; V468-D499 WeakPolarHBondContact CG2-OD1 3.46Å; V495-D499 HydrophobicContact CG1-CB 4.02Å; T496-D499 WeakPolarHBondContact CA-OD2 3.36Å; T496-D499 WeakPolarHBondContact CB-OD2 3.16Å; T496-D499 PolarHBondContact N-OD2 2.86Å; T496-D499 WeakPolarHBondContact O-CB 3.35Å; T496-D499 PolarHBondContact O-N 2.86Å; T496-D499 PolarHBondContact OG1-OD2 3.39Å; E497-D499 PolarHBondContact O-N 2.91Å; D499-E501 VanDerWaalsContact C-N 3.28Å; D499-E501 PolarHBondContact O-N 2.98Å; D499-E501 VanDerWaalsContact O-N 3.14Å; D499-F502 WeakPolarHBondContact O-CA 3.28Å; D499-F502 WeakPolarHBondContact O-CB 3.22Å; D499-F502 PolarHBondContact O-N 2.94Å; D499-A503 PolarHBondContact O-N 2.87Å; D499-A503 VanDerWaalsContact O-N 3.09Å
500	K	91.8	Very high	93.1	Very high	80 Å²	80	38.3 Å²	38.3	35%	0.348	18%	0.175	S	C	.	.	H	α-helix	trans	-54	-33.5	-173.5	69	-169.7	179.7	-171.4	0	115.8	E497 K498 F502 A503 L524	E497-K500 WeakPolarHBondContact O-CB 3.38Å; E497-K500 PolarHBondContact O-N 3.16Å; K498-K500 VanDerWaalsContact C-N 3.31Å; K498-K500 PolarHBondContact O-N 2.84Å; K500-F502 VanDerWaalsContact C-N 3.27Å; K500-F502 PolarHBondContact O-N 2.87Å; K500-A503 WeakPolarHBondContact O-CB 3.5Å; K500-A503 PolarHBondContact O-N 2.79Å; K500-L524 HydrophobicContact CB-CD1 3.67Å; K500-L524 HydrophobicContact CB-CG 4.03Å
501	E	91.4	Very high	92.8	Very high	85 Å²	85	40.9 Å²	40.9	40%	0.397	18%	0.184	S	C	.	.	H	α-helix	trans	-72.4	-24.2	177.9	-59.4	-54.6	147.1	0	0	112	D499 S528 W530	D499-E501 VanDerWaalsContact C-N 3.28Å; D499-E501 PolarHBondContact O-N 2.98Å; D499-E501 VanDerWaalsContact O-N 3.14Å; E501-S528 WeakPolarHBondContact OE2-CB 3.35Å; E501-S528 PolarHBondContact OE2-OG 2.95Å; E501-W530 PolarHBondContact O-NE1 3.22Å
502	F	93.2	Very high	92.2	Very high	23 Å²	23	42.7 Å²	42.7	10%	0.101	20%	0.199	C	C	.	.	H	α-helix	trans	-86.8	-26	173.7	-161.5	-107	0	0	0	113.1	V468 A469 H475 D499 K500 G504 H505 L506	V468-F502 HydrophobicContact CB-CD1 3.84Å; V468-F502 HydrophobicContact CB-CE1 4.35Å; V468-F502 HydrophobicContact CB-CG 4.46Å; V468-F502 HydrophobicContact CG1-CD1 4.22Å; V468-F502 HydrophobicContact CG2-CD1 4.44Å; A469-F502 HydrophobicContact CB-CZ 4.21Å; H475-F502 HydrophobicContact CB-CE1 4.31Å; H475-F502 HydrophobicContact CB-CZ 3.91Å; D499-F502 WeakPolarHBondContact O-CA 3.28Å; D499-F502 WeakPolarHBondContact O-CB 3.22Å; D499-F502 PolarHBondContact O-N 2.94Å; K500-F502 VanDerWaalsContact C-N 3.27Å; K500-F502 PolarHBondContact O-N 2.87Å; F502-G504 PolarHBondContact O-N 3.49Å; F502-G504 VanDerWaalsContact O-N 3.12Å; F502-H505 HydrophobicContact CD2-CB 4.31Å; F502-H505 HydrophobicContact CE2-CB 4.11Å; F502-H505 HydrophobicContact CZ-CB 4.38Å; F502-H505 WeakPolarHBondContact O-CA 3.44Å; F502-H505 WeakPolarHBondContact O-CB 3.48Å; F502-H505 PolarHBondContact O-N 2.89Å; F502-L506 HydrophobicContact CD1-CD1 3.97Å; F502-L506 HydrophobicContact CD1-CD2 4.24Å; F502-L506 HydrophobicContact CD1-CG 3.81Å; F502-L506 HydrophobicContact CE1-CD1 4.29Å; F502-L506 HydrophobicContact CE1-CD2 3.74Å; F502-L506 HydrophobicContact CE1-CG 3.81Å; F502-L506 PolarHBondContact O-N 3.05Å
503	A	94	Very high	91.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-52.1	-36.8	177.3	0	0	0	0	0	112.9	D499 K500 H505 L506 V507 L521 L524 A525	D499-A503 PolarHBondContact O-N 2.87Å; D499-A503 VanDerWaalsContact O-N 3.09Å; K500-A503 WeakPolarHBondContact O-CB 3.5Å; K500-A503 PolarHBondContact O-N 2.79Å; A503-H505 VanDerWaalsContact C-N 3.27Å; A503-H505 PolarHBondContact O-N 2.87Å; A503-L506 PolarHBondContact O-N 3.36Å; A503-V507 WeakPolarHBondContact O-CG2 3.46Å; A503-V507 PolarHBondContact O-N 3.43Å; A503-L521 HydrophobicContact CB-CD1 3.79Å; A503-L524 HydrophobicContact CB-CB 4.47Å; A503-L524 HydrophobicContact CB-CD2 4.06Å; A503-L524 HydrophobicContact CB-CG 4.06Å; A503-A525 HydrophobicContact CB-CB 3.99Å
504	G	92.3	Very high	91	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-19.6	175.3	0	0	0	0	0	115.6	F502 R508 W530 F531	F502-G504 PolarHBondContact O-N 3.49Å; F502-G504 VanDerWaalsContact O-N 3.12Å; G504-R508 WeakPolarHBondContact O-CG 3.37Å; G504-W530 VanDerWaalsContact C-CH2 3.48Å; G504-W530 WeakPolarHBondContact O-CH2 3.26Å; G504-F531 VanDerWaalsContact O-CD2 3.26Å; G504-F531 WeakPolarHBondContact O-CD2 3.17Å; G504-F531 WeakPolarHBondContact O-CE2 3.49Å
505	H	91.5	Very high	90.6	Very high	69 Å²	69	51 Å²	51	32%	0.319	25%	0.245	S	C	.	.	H	α-helix	trans	-82.3	-42.4	169.3	-70.5	-83	0	0	0	111.1	A472 F502 A503 V507 R508 S509 W530	A472-H505 HydrophobicContact CB-CB 4.19Å; F502-H505 HydrophobicContact CD2-CB 4.31Å; F502-H505 HydrophobicContact CE2-CB 4.11Å; F502-H505 HydrophobicContact CZ-CB 4.38Å; F502-H505 WeakPolarHBondContact O-CA 3.44Å; F502-H505 WeakPolarHBondContact O-CB 3.48Å; F502-H505 PolarHBondContact O-N 2.89Å; A503-H505 VanDerWaalsContact C-N 3.27Å; A503-H505 PolarHBondContact O-N 2.87Å; H505-V507 PolarHBondContact O-N 2.9Å; H505-R508 WeakPolarHBondContact O-CB 3.46Å; H505-R508 PolarHBondContact O-N 3.05Å; H505-R508 VanDerWaalsContact O-N 3.08Å; H505-S509 PolarHBondContact O-N 2.9Å; H505-W530 AromaticContact CD2-CH2 3.68Å; H505-W530 AromaticContact CD2-CZ2 3.32Å; H505-W530 WeakPolarHBondContact CD2-CZ2 3.3Å; H505-W530 AromaticContact CE1-CH2 3.79Å; H505-W530 AromaticContact CG-CH2 3.9Å; H505-W530 AromaticContact CG-CZ2 3.96Å; H505-W530 AromaticContact ND1-CH2 3.96Å; H505-W530 AromaticContact NE2-CH2 3.6Å; H505-W530 AromaticContact NE2-CZ2 3.41Å; H505-W530 WeakPolarHBondContact NE2-CZ2 3.42Å
506	L	93	Very high	90.3	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	28%	0.282	C	S	.	.	H	α-helix	trans	-60.3	-43.1	177.5	-66.8	174.4	0	0	0	112.5	V368 H475 T493 V495 F502 A503 R508 S509 L510 L521	V368-L506 HydrophobicContact CG1-CD1 3.97Å; H475-L506 VanDerWaalsContact CE1-CD2 3.47Å; H475-L506 WeakPolarHBondContact CE1-CD2 3.43Å; H475-L506 WeakPolarHBondContact NE2-CD2 3.32Å; T493-L506 HydrophobicContact CG2-CD1 4.02Å; T493-L506 HydrophobicContact CG2-CD2 4.22Å; V495-L506 HydrophobicContact CG2-CD1 3.49Å; V495-L506 VanDerWaalsContact CG2-CD1 3.49Å; F502-L506 HydrophobicContact CD1-CD1 3.97Å; F502-L506 HydrophobicContact CD1-CD2 4.24Å; F502-L506 HydrophobicContact CD1-CG 3.81Å; F502-L506 HydrophobicContact CE1-CD1 4.29Å; F502-L506 HydrophobicContact CE1-CD2 3.74Å; F502-L506 HydrophobicContact CE1-CG 3.81Å; F502-L506 PolarHBondContact O-N 3.05Å; A503-L506 PolarHBondContact O-N 3.36Å; L506-R508 PolarHBondContact O-N 2.9Å; L506-S509 WeakPolarHBondContact O-CB 3.21Å; L506-S509 PolarHBondContact O-N 3.22Å; L506-L510 WeakPolarHBondContact O-CG 3.45Å; L506-L510 PolarHBondContact O-N 3.32Å; L506-L510 VanDerWaalsContact O-N 3.1Å; L506-L521 HydrophobicContact CB-CD1 4.26Å; L506-L521 HydrophobicContact CB-CD2 4.04Å; L506-L521 HydrophobicContact CD1-CD1 4.29Å
507	V	92.6	Very high	90.2	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-40.6	173.7	172.1	0	0	0	0	111.5	A503 H505 L510 E511 V517 L521 L522 A525 F531	A503-V507 WeakPolarHBondContact O-CG2 3.46Å; A503-V507 PolarHBondContact O-N 3.43Å; H505-V507 PolarHBondContact O-N 2.9Å; V507-L510 PolarHBondContact O-N 3.36Å; V507-E511 HydrophobicContact CG1-CG 4.21Å; V507-E511 WeakPolarHBondContact O-CB 3.43Å; V507-E511 WeakPolarHBondContact O-CG 3.21Å; V507-E511 PolarHBondContact O-N 2.93Å; V507-V517 HydrophobicContact CB-CG1 4.41Å; V507-V517 HydrophobicContact CG1-CG1 4.06Å; V507-V517 HydrophobicContact CG2-CG1 3.96Å; V507-L521 HydrophobicContact CG2-CD2 3.91Å; V507-L521 HydrophobicContact CG2-CG 3.83Å; V507-L522 HydrophobicContact CG1-CD1 3.75Å; V507-L522 HydrophobicContact CG2-CD1 4Å; V507-A525 HydrophobicContact CG2-CB 3.76Å; V507-F531 HydrophobicContact CB-CE2 4.15Å; V507-F531 HydrophobicContact CB-CZ 4.04Å; V507-F531 HydrophobicContact CG1-CE2 4.12Å; V507-F531 HydrophobicContact CG1-CZ 3.7Å; V507-F531 HydrophobicContact CG2-CZ 4.49Å
508	R	88.9	Confident	90.3	Very high	102 Å²	102	54.9 Å²	54.9	39%	0.385	27%	0.273	S	S	.	.	H	α-helix	trans	-71.6	-35.6	178.9	-67.8	175	176.9	-166.9	1.1	113	G504 H505 L506 L510 E511 A512 F531 T534	G504-R508 WeakPolarHBondContact O-CG 3.37Å; H505-R508 WeakPolarHBondContact O-CB 3.46Å; H505-R508 PolarHBondContact O-N 3.05Å; H505-R508 VanDerWaalsContact O-N 3.08Å; L506-R508 PolarHBondContact O-N 2.9Å; R508-L510 VanDerWaalsContact C-N 3.33Å; R508-E511 PolarHBondContact O-N 3.5Å; R508-A512 WeakPolarHBondContact O-CB 3.42Å; R508-A512 PolarHBondContact O-N 3.43Å; R508-F531 HydrophobicContact CG-CE2 4.3Å; R508-T534 PolarHBondContact NH2-OG1 2.85Å
509	S	87.5	Confident	90.4	Very high	15 Å²	15	52.9 Å²	52.9	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-49	173.7	-165.9	0	0	0	0	110.4	Q366 H505 L506 V513	Q366-S509 PolarHBondContact OE1-OG 3.37Å; H505-S509 PolarHBondContact O-N 2.9Å; L506-S509 WeakPolarHBondContact O-CB 3.21Å; L506-S509 PolarHBondContact O-N 3.22Å; S509-V513 PolarHBondContact O-N 2.61Å
510	L	90.4	Very high	90.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-45.5	177.4	-65	171.8	0	0	0	112.8	Q366 V368 L506 V507 R508 A512 N514 Q515 V517 L521	Q366-L510 HydrophobicContact CB-CD2 3.6Å; V368-L510 HydrophobicContact CG2-CD1 3.94Å; L506-L510 WeakPolarHBondContact O-CG 3.45Å; L506-L510 PolarHBondContact O-N 3.32Å; L506-L510 VanDerWaalsContact O-N 3.1Å; V507-L510 PolarHBondContact O-N 3.36Å; R508-L510 VanDerWaalsContact C-N 3.33Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 3.42Å; L510-N514 PolarHBondContact O-N 2.84Å; L510-Q515 HydrophobicContact CD2-CB 3.99Å; L510-Q515 PolarHBondContact O-N 2.8Å; L510-V517 HydrophobicContact CB-CG2 3.86Å; L510-V517 HydrophobicContact CD1-CG2 4.41Å; L510-L521 HydrophobicContact CD1-CD2 3.77Å
511	E	88.9	Confident	90.6	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-37.8	177.9	-80.5	-175.6	175.6	0	0	112.2	V507 R508 N514 V517	V507-E511 HydrophobicContact CG1-CG 4.21Å; V507-E511 WeakPolarHBondContact O-CB 3.43Å; V507-E511 WeakPolarHBondContact O-CG 3.21Å; V507-E511 PolarHBondContact O-N 2.93Å; R508-E511 PolarHBondContact O-N 3.5Å; E511-N514 PolarHBondContact O-N 3.48Å; E511-V517 HydrophobicContact CG-CG2 4.13Å
512	A	82.5	Confident	90.7	Very high	38 Å²	38	48 Å²	48	31%	0.314	25%	0.251	S	S	.	.	H	α-helix	trans	-66.5	-52	-179.7	0	0	0	0	0	112.2	E359 R508 L510 N514	E359-A512 HydrophobicContact CG-CB 4.27Å; R508-A512 WeakPolarHBondContact O-CB 3.42Å; R508-A512 PolarHBondContact O-N 3.43Å; L510-A512 VanDerWaalsContact C-N 3.3Å; L510-A512 PolarHBondContact O-N 3.42Å; A512-N514 PolarHBondContact O-N 2.8Å; A512-N514 VanDerWaalsContact O-N 3.1Å; A512-N514 PolarHBondContact O-ND2 2.93Å; A512-N514 VanDerWaalsContact O-ND2 3.09Å
513	V	83.5	Confident	90.7	Very high	19 Å²	19	50.7 Å²	50.7	12%	0.115	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	13.2	177.6	-58.8	0	0	0	0	113.9	A360 Q366 S509 Q515	A360-V513 HydrophobicContact CB-CG1 3.96Å; A360-V513 VanDerWaalsContact O-CG1 3.3Å; A360-V513 WeakPolarHBondContact O-CG1 3.31Å; Q366-V513 VanDerWaalsContact NE2-CG2 3.33Å; S509-V513 PolarHBondContact O-N 2.61Å; V513-Q515 VanDerWaalsContact C-N 3.25Å; V513-Q515 HydrophobicContact CG2-CB 4Å; V513-Q515 VanDerWaalsContact CG2-CD 3.44Å; V513-Q515 HydrophobicContact CG2-CG 3.68Å; V513-Q515 PolarHBondContact O-N 2.82Å
514	N	85.9	Confident	90.7	Very high	152 Å²	152	51.1 Å²	51.1	81%	0.813	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	33.3	179.7	-65.2	-99.4	0	0	0	114.2	L510 E511 A512	L510-N514 PolarHBondContact O-N 2.84Å; E511-N514 PolarHBondContact O-N 3.48Å; A512-N514 PolarHBondContact O-N 2.8Å; A512-N514 VanDerWaalsContact O-N 3.1Å; A512-N514 PolarHBondContact O-ND2 2.93Å; A512-N514 VanDerWaalsContact O-ND2 3.09Å
515	Q	88.9	Confident	90.7	Very high	42 Å²	42	51.1 Å²	51.1	20%	0.196	27%	0.269	C	S	.	.			trans	-92.7	157.4	178.5	-74.8	174.6	1.9	0	0	112.1	I364 Q366 L510 V513 V517	I364-Q515 PolarHBondContact O-NE2 3.22Å; Q366-Q515 VanDerWaalsContact CB-OE1 3.26Å; L510-Q515 HydrophobicContact CD2-CB 3.99Å; L510-Q515 PolarHBondContact O-N 2.8Å; V513-Q515 VanDerWaalsContact C-N 3.25Å; V513-Q515 HydrophobicContact CG2-CB 4Å; V513-Q515 VanDerWaalsContact CG2-CD 3.44Å; V513-Q515 HydrophobicContact CG2-CG 3.68Å; V513-Q515 PolarHBondContact O-N 2.82Å; Q515-V517 PolarHBondContact O-N 3.11Å
516	N	89.6	Confident	90.8	Very high	145 Å²	145	50.2 Å²	50.2	78%	0.775	27%	0.266	S	S	*	.			trans	-65.4	125.6	-175.3	-177.2	27.4	0	0	0	111.1	P518	N516-P518 WeakPolarHBondContact O-CD 3.37Å
517	V	92.4	Very high	90.7	Very high	32 Å²	32	54.9 Å²	54.9	19%	0.194	29%	0.288	C	S	.	.			trans	-92.7	113	177.6	-174.8	0	0	0	0	109.6	V507 L510 E511 Q515 K519 L521 L522	V507-V517 HydrophobicContact CB-CG1 4.41Å; V507-V517 HydrophobicContact CG1-CG1 4.06Å; V507-V517 HydrophobicContact CG2-CG1 3.96Å; L510-V517 HydrophobicContact CB-CG2 3.86Å; L510-V517 HydrophobicContact CD1-CG2 4.41Å; E511-V517 HydrophobicContact CG-CG2 4.13Å; Q515-V517 PolarHBondContact O-N 3.11Å; V517-K519 PolarHBondContact O-N 3.14Å; V517-L521 HydrophobicContact CG1-CD2 4.48Å; V517-L522 HydrophobicContact CG1-CB 4.24Å; V517-L522 HydrophobicContact CG1-CD1 4.13Å
518	P	93.7	Very high	90.5	Very high	38 Å²	38	54.9 Å²	54.9	25%	0.247	29%	0.288	C	S	.	.			trans	-60.5	134.4	179.4	-23.9	35.4	0	0	0	111.2	V368 N516 A520 L521 L522	V368-P518 WeakPolarHBondContact O-CG 3.2Å; N516-P518 WeakPolarHBondContact O-CD 3.37Å; P518-A520 VanDerWaalsContact C-N 3.27Å; P518-A520 PolarHBondContact O-N 3.33Å; P518-L521 HydrophobicContact CB-CB 4.24Å; P518-L521 WeakPolarHBondContact O-CB 3.45Å; P518-L521 PolarHBondContact O-N 3.18Å; P518-L522 PolarHBondContact O-N 3.26Å
519	K	93.9	Very high	90.5	Very high	156 Å²	156	53.7 Å²	53.7	68%	0.678	29%	0.292	S	S	*	.	H	α-helix	trans	-55.7	-42.4	-178.5	-170.2	-166.5	170.4	-162.6	0	112	V517 L521 L522 D523	V517-K519 PolarHBondContact O-N 3.14Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.32Å; K519-L522 WeakPolarHBondContact O-CA 3.44Å; K519-L522 WeakPolarHBondContact O-CB 3.48Å; K519-L522 PolarHBondContact O-N 2.77Å; K519-D523 VanDerWaalsContact CE-OD2 3.22Å; K519-D523 WeakPolarHBondContact CE-OD2 3.49Å; K519-D523 IonicContact NZ-OD2 3.61Å; K519-D523 WeakPolarHBondContact O-CB 3.42Å; K519-D523 VanDerWaalsContact O-CG 3.32Å; K519-D523 PolarHBondContact O-N 2.95Å
520	A	94.1	Very high	90.7	Very high	53 Å²	53	56.2 Å²	56.2	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-37.8	177.5	0	0	0	0	0	113.1	V370 P518 L524	V370-A520 HydrophobicContact CB-CB 3.92Å; V370-A520 HydrophobicContact CG1-CB 4.29Å; V370-A520 HydrophobicContact CG2-CB 4.17Å; P518-A520 VanDerWaalsContact C-N 3.27Å; P518-A520 PolarHBondContact O-N 3.33Å; A520-L524 VanDerWaalsContact O-CB 3.27Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 PolarHBondContact O-N 3.46Å
521	L	94.8	Very high	90.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-67.1	-40.5	173.8	179.8	69	0	0	0	110.9	V368 V370 V495 A503 L506 V507 L510 V517 P518 K519 L524 A525	V368-L521 HydrophobicContact CB-CD2 3.93Å; V368-L521 HydrophobicContact CG1-CD1 3.74Å; V368-L521 HydrophobicContact CG1-CD2 3.8Å; V368-L521 HydrophobicContact CG1-CG 4.23Å; V368-L521 HydrophobicContact CG2-CD2 4.18Å; V370-L521 HydrophobicContact CG2-CB 3.93Å; V370-L521 HydrophobicContact CG2-CD1 4.28Å; V495-L521 HydrophobicContact CG1-CD1 4.44Å; A503-L521 HydrophobicContact CB-CD1 3.79Å; L506-L521 HydrophobicContact CB-CD1 4.26Å; L506-L521 HydrophobicContact CB-CD2 4.04Å; L506-L521 HydrophobicContact CD1-CD1 4.29Å; V507-L521 HydrophobicContact CG2-CD2 3.91Å; V507-L521 HydrophobicContact CG2-CG 3.83Å; L510-L521 HydrophobicContact CD1-CD2 3.77Å; V517-L521 HydrophobicContact CG1-CD2 4.48Å; P518-L521 HydrophobicContact CB-CB 4.24Å; P518-L521 WeakPolarHBondContact O-CB 3.45Å; P518-L521 PolarHBondContact O-N 3.18Å; K519-L521 VanDerWaalsContact C-N 3.31Å; K519-L521 PolarHBondContact O-N 3.32Å; L521-L524 PolarHBondContact O-N 2.9Å; L521-A525 VanDerWaalsContact O-CB 3.25Å; L521-A525 WeakPolarHBondContact O-CB 3.48Å; L521-A525 PolarHBondContact O-N 3.48Å
522	L	93.4	Very high	90.6	Very high	37 Å²	37	58.3 Å²	58.3	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-66.9	-42.2	-179.7	-164.2	60.5	0	0	0	112.3	V507 V517 P518 K519 A525 M526	V507-L522 HydrophobicContact CG1-CD1 3.75Å; V507-L522 HydrophobicContact CG2-CD1 4Å; V517-L522 HydrophobicContact CG1-CB 4.24Å; V517-L522 HydrophobicContact CG1-CD1 4.13Å; P518-L522 PolarHBondContact O-N 3.26Å; K519-L522 WeakPolarHBondContact O-CA 3.44Å; K519-L522 WeakPolarHBondContact O-CB 3.48Å; K519-L522 PolarHBondContact O-N 2.77Å; L522-A525 PolarHBondContact O-N 3.45Å; L522-M526 VanDerWaalsContact O-CG 3.23Å; L522-M526 WeakPolarHBondContact O-CG 3.41Å; L522-M526 PolarHBondContact O-N 3.49Å
523	D	93.6	Very high	90.8	Very high	80 Å²	80	63.7 Å²	63.7	43%	0.428	32%	0.32	S	S	.	.	H	α-helix	trans	-66	-43	176.5	-68.1	-20	0	0	0	110.4	K519 M526 Q527	K519-D523 VanDerWaalsContact CE-OD2 3.22Å; K519-D523 WeakPolarHBondContact CE-OD2 3.49Å; K519-D523 IonicContact NZ-OD2 3.61Å; K519-D523 WeakPolarHBondContact O-CB 3.42Å; K519-D523 VanDerWaalsContact O-CG 3.32Å; K519-D523 PolarHBondContact O-N 2.95Å; D523-M526 PolarHBondContact O-N 3.14Å; D523-Q527 PolarHBondContact O-N 3.29Å
524	L	93.1	Very high	90.8	Very high	10 Å²	10	65.5 Å²	65.5	5%	0.052	33%	0.331	C	S	.	.	H	α-helix	trans	-62	-46	173.7	-176.3	64.8	0	0	0	112.2	V370 V495 E497 K500 A503 A520 L521 M526 Q527	V370-L524 HydrophobicContact CG1-CD2 4.19Å; V495-L524 HydrophobicContact CG1-CD2 3.55Å; E497-L524 HydrophobicContact CG-CD1 4.48Å; K500-L524 HydrophobicContact CB-CD1 3.67Å; K500-L524 HydrophobicContact CB-CG 4.03Å; A503-L524 HydrophobicContact CB-CB 4.47Å; A503-L524 HydrophobicContact CB-CD2 4.06Å; A503-L524 HydrophobicContact CB-CG 4.06Å; A520-L524 VanDerWaalsContact O-CB 3.27Å; A520-L524 WeakPolarHBondContact O-CB 3.44Å; A520-L524 PolarHBondContact O-N 3.46Å; L521-L524 PolarHBondContact O-N 2.9Å; L524-M526 VanDerWaalsContact C-N 3.26Å; L524-M526 PolarHBondContact O-N 3.2Å; L524-Q527 VanDerWaalsContact O-CB 3.29Å; L524-Q527 WeakPolarHBondContact O-CB 3.42Å; L524-Q527 PolarHBondContact O-N 3.28Å; L524-Q527 VanDerWaalsContact O-N 3.08Å
525	A	92.9	Very high	90.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-33.2	176.6	0	0	0	0	0	112.5	A503 V507 L521 L522 Q527 S528 F531	A503-A525 HydrophobicContact CB-CB 3.99Å; V507-A525 HydrophobicContact CG2-CB 3.76Å; L521-A525 VanDerWaalsContact O-CB 3.25Å; L521-A525 WeakPolarHBondContact O-CB 3.48Å; L521-A525 PolarHBondContact O-N 3.48Å; L522-A525 PolarHBondContact O-N 3.45Å; A525-Q527 PolarHBondContact O-N 3.43Å; A525-S528 WeakPolarHBondContact O-CB 2.99Å; A525-S528 PolarHBondContact O-N 3.1Å; A525-S528 VanDerWaalsContact O-N 3.17Å; A525-F531 HydrophobicContact CB-CD1 3.82Å; A525-F531 HydrophobicContact CB-CE1 3.87Å; A525-F531 HydrophobicContact CB-CG 4.3Å; A525-F531 HydrophobicContact CB-CZ 4.39Å; A525-F531 VanDerWaalsContact O-CD1 3.26Å; A525-F531 WeakPolarHBondContact O-CD1 3.38Å
526	M	92.1	Very high	89.9	Confident	49 Å²	49	64.4 Å²	64.4	24%	0.241	32%	0.316	C	S	.	.	H	α-helix	trans	-70.3	-16.2	176.1	-74.4	-68.2	-70.4	0	0	113.8	L522 D523 L524 F531 R532 R535 F536	L522-M526 VanDerWaalsContact O-CG 3.23Å; L522-M526 WeakPolarHBondContact O-CG 3.41Å; L522-M526 PolarHBondContact O-N 3.49Å; D523-M526 PolarHBondContact O-N 3.14Å; L524-M526 VanDerWaalsContact C-N 3.26Å; L524-M526 PolarHBondContact O-N 3.2Å; M526-F531 HydrophobicContact CG-CE1 4.49Å; M526-F531 HydrophobicContact SD-CD1 4.26Å; M526-F531 HydrophobicContact SD-CE1 4.09Å; M526-R532 HydrophobicContact CE-CG 4.33Å; M526-R535 WeakPolarHBondContact SD-CD 3.34Å; M526-R535 PolarHBondContact SD-NH1 3.23Å; M526-F536 HydrophobicContact CE-CE2 4.45Å; M526-F536 HydrophobicContact CE-CZ 4.18Å
527	Q	91.5	Very high	88.9	Confident	101 Å²	101	65.5 Å²	65.5	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-71.3	-33.4	169.4	-54.2	-179.8	9.9	0	0	111.8	D523 L524 A525 T529	D523-Q527 PolarHBondContact O-N 3.29Å; L524-Q527 VanDerWaalsContact O-CB 3.29Å; L524-Q527 WeakPolarHBondContact O-CB 3.42Å; L524-Q527 PolarHBondContact O-N 3.28Å; L524-Q527 VanDerWaalsContact O-N 3.08Å; A525-Q527 PolarHBondContact O-N 3.43Å; Q527-T529 PolarHBondContact O-N 3.18Å
528	S	89.6	Confident	87.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-65.5	128.5	179.1	170.6	0	0	0	0	111.6	E501 A525 W530 R532	E501-S528 WeakPolarHBondContact OE2-CB 3.35Å; E501-S528 PolarHBondContact OE2-OG 2.95Å; A525-S528 WeakPolarHBondContact O-CB 2.99Å; A525-S528 PolarHBondContact O-N 3.1Å; A525-S528 VanDerWaalsContact O-N 3.17Å; S528-W530 VanDerWaalsContact C-N 3.31Å; S528-W530 PolarHBondContact O-N 3.38Å; S528-W530 PolarHBondContact OG-NE1 3.18Å; S528-W530 VanDerWaalsContact OG-NE1 3.09Å; S528-R532 VanDerWaalsContact O-CB 3.25Å; S528-R532 WeakPolarHBondContact O-CB 3.3Å; S528-R532 PolarHBondContact O-N 2.97Å; S528-R532 VanDerWaalsContact O-N 3.11Å
529	T	88.9	Confident	85.5	Confident	77 Å²	77	74.6 Å²	74.6	47%	0.472	35%	0.349	S	S	.	.	H	α-helix	trans	-68.7	-29.7	-173.5	74	0	0	0	0	113.1	Q527 K533	Q527-T529 PolarHBondContact O-N 3.18Å; T529-K533 WeakPolarHBondContact O-CD 3.45Å; T529-K533 WeakPolarHBondContact O-CG 3.33Å; T529-K533 PolarHBondContact O-N 3.13Å
530	W	90.2	Very high	83.4	Confident	67 Å²	67	75.8 Å²	75.8	25%	0.254	35%	0.354	S	S	.	.	H	α-helix	trans	-77.4	-46.8	-179.6	75.8	-98.2	0	0	0	110.7	E501 G504 H505 S528 R532 K533 T534	E501-W530 PolarHBondContact O-NE1 3.22Å; G504-W530 VanDerWaalsContact C-CH2 3.48Å; G504-W530 WeakPolarHBondContact O-CH2 3.26Å; H505-W530 AromaticContact CD2-CH2 3.68Å; H505-W530 AromaticContact CD2-CZ2 3.32Å; H505-W530 WeakPolarHBondContact CD2-CZ2 3.3Å; H505-W530 AromaticContact CE1-CH2 3.79Å; H505-W530 AromaticContact CG-CH2 3.9Å; H505-W530 AromaticContact CG-CZ2 3.96Å; H505-W530 AromaticContact ND1-CH2 3.96Å; H505-W530 AromaticContact NE2-CH2 3.6Å; H505-W530 AromaticContact NE2-CZ2 3.41Å; H505-W530 WeakPolarHBondContact NE2-CZ2 3.42Å; S528-W530 VanDerWaalsContact C-N 3.31Å; S528-W530 PolarHBondContact O-N 3.38Å; S528-W530 PolarHBondContact OG-NE1 3.18Å; S528-W530 VanDerWaalsContact OG-NE1 3.09Å; W530-R532 PolarHBondContact O-N 2.83Å; W530-K533 PolarHBondContact O-N 3.15Å; W530-T534 PolarHBondContact O-N 3.11Å; W530-T534 VanDerWaalsContact O-N 3.16Å
531	F	88.9	Confident	81.5	Confident	5 Å²	5	77.4 Å²	77.4	2%	0.022	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-50.7	179.1	-178.1	-99.6	0	0	0	110.8	G504 V507 R508 A525 M526 K533 T534 R535	G504-F531 VanDerWaalsContact O-CD2 3.26Å; G504-F531 WeakPolarHBondContact O-CD2 3.17Å; G504-F531 WeakPolarHBondContact O-CE2 3.49Å; V507-F531 HydrophobicContact CB-CE2 4.15Å; V507-F531 HydrophobicContact CB-CZ 4.04Å; V507-F531 HydrophobicContact CG1-CE2 4.12Å; V507-F531 HydrophobicContact CG1-CZ 3.7Å; V507-F531 HydrophobicContact CG2-CZ 4.49Å; R508-F531 HydrophobicContact CG-CE2 4.3Å; A525-F531 HydrophobicContact CB-CD1 3.82Å; A525-F531 HydrophobicContact CB-CE1 3.87Å; A525-F531 HydrophobicContact CB-CG 4.3Å; A525-F531 HydrophobicContact CB-CZ 4.39Å; A525-F531 VanDerWaalsContact O-CD1 3.26Å; A525-F531 WeakPolarHBondContact O-CD1 3.38Å; M526-F531 HydrophobicContact CG-CE1 4.49Å; M526-F531 HydrophobicContact SD-CD1 4.26Å; M526-F531 HydrophobicContact SD-CE1 4.09Å; F531-K533 VanDerWaalsContact C-N 3.33Å; F531-K533 PolarHBondContact O-N 3.14Å; F531-T534 PolarHBondContact O-N 2.75Å; F531-T534 PolarHBondContact O-OG1 3.47Å; F531-R535 PolarHBondContact O-N 3.36Å
532	R	88.3	Confident	79.4	Confident	123 Å²	123	86.1 Å²	86.1	46%	0.464	41%	0.406	S	S	.	.	H	α-helix	trans	-52.8	-45.5	177.2	-171.7	175.8	71.3	161.1	0.1	112.8	M526 S528 W530 T534 R535 F536	M526-R532 HydrophobicContact CE-CG 4.33Å; S528-R532 VanDerWaalsContact O-CB 3.25Å; S528-R532 WeakPolarHBondContact O-CB 3.3Å; S528-R532 PolarHBondContact O-N 2.97Å; S528-R532 VanDerWaalsContact O-N 3.11Å; W530-R532 PolarHBondContact O-N 2.83Å; R532-T534 PolarHBondContact O-N 2.92Å; R532-R535 PolarHBondContact O-N 2.95Å; R532-F536 HydrophobicContact CG-CD2 3.89Å; R532-F536 HydrophobicContact CG-CE2 3.51Å; R532-F536 VanDerWaalsContact O-CD2 3.26Å; R532-F536 WeakPolarHBondContact O-CD2 3.5Å; R532-F536 PolarHBondContact O-N 2.92Å
533	K	87.2	Confident	76.8	Confident	151 Å²	151	94.4 Å²	94.4	66%	0.657	43%	0.434	S	S	*	.	H	α-helix	trans	-59.7	-42.9	175.3	-77.7	169.5	-177.1	173.4	0	112.1	T529 W530 F531 K537	T529-K533 WeakPolarHBondContact O-CD 3.45Å; T529-K533 WeakPolarHBondContact O-CG 3.33Å; T529-K533 PolarHBondContact O-N 3.13Å; W530-K533 PolarHBondContact O-N 3.15Å; F531-K533 VanDerWaalsContact C-N 3.33Å; F531-K533 PolarHBondContact O-N 3.14Å; K533-K537 PolarHBondContact O-N 3.15Å
534	T	83.4	Confident	74.3	Confident	57 Å²	57	96.4 Å²	96.4	35%	0.35	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-34.4	-179.9	63.6	0	0	0	0	113.4	R508 W530 F531 R532 K537 K538	R508-T534 PolarHBondContact NH2-OG1 2.85Å; W530-T534 PolarHBondContact O-N 3.11Å; W530-T534 VanDerWaalsContact O-N 3.16Å; F531-T534 PolarHBondContact O-N 2.75Å; F531-T534 PolarHBondContact O-OG1 3.47Å; R532-T534 PolarHBondContact O-N 2.92Å; T534-K537 PolarHBondContact O-N 2.8Å; T534-K538 PolarHBondContact O-N 3.4Å
535	R	82.9	Confident	71.7	Confident	68 Å²	68	100.1 Å²	100.1	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-66.6	-50.6	179.6	-161.3	179	-161.1	165.9	8.7	112.3	M526 F531 R532 K537 K538 E539	M526-R535 WeakPolarHBondContact SD-CD 3.34Å; M526-R535 PolarHBondContact SD-NH1 3.23Å; F531-R535 PolarHBondContact O-N 3.36Å; R532-R535 PolarHBondContact O-N 2.95Å; R535-K537 PolarHBondContact O-N 3.02Å; R535-K537 VanDerWaalsContact O-N 3.17Å; R535-K538 WeakPolarHBondContact O-CB 3.11Å; R535-K538 PolarHBondContact O-N 2.84Å; R535-E539 PolarHBondContact O-N 3.11Å
536	F	74.1	Confident	69.2	Low	103 Å²	103	108.1 Å²	108.1	45%	0.452	53%	0.533	S	S	.	.	H	α-helix	trans	-62	-25	178	-71.8	-54.7	0	0	0	113.4	M526 R532 E539 K540	M526-F536 HydrophobicContact CE-CE2 4.45Å; M526-F536 HydrophobicContact CE-CZ 4.18Å; R532-F536 HydrophobicContact CG-CD2 3.89Å; R532-F536 HydrophobicContact CG-CE2 3.51Å; R532-F536 VanDerWaalsContact O-CD2 3.26Å; R532-F536 WeakPolarHBondContact O-CD2 3.5Å; R532-F536 PolarHBondContact O-N 2.92Å; F536-E539 VanDerWaalsContact CD1-OE2 3.28Å; F536-E539 WeakPolarHBondContact CD1-OE2 3.45Å; F536-E539 PolarHBondContact O-N 3.16Å; F536-K540 PolarHBondContact O-N 3.49Å; F536-K540 VanDerWaalsContact O-N 3.09Å
537	K	68.7	Low	66.3	Low	169 Å²	169	109.7 Å²	109.7	74%	0.735	56%	0.562	S	S	*	*	H	α-helix	trans	-69	-37.1	172.8	-166.6	174.5	-179.9	-179.2	0	112.4	K533 T534 R535 A541	K533-K537 PolarHBondContact O-N 3.15Å; T534-K537 PolarHBondContact O-N 2.8Å; R535-K537 PolarHBondContact O-N 3.02Å; R535-K537 VanDerWaalsContact O-N 3.17Å; K537-A541 PolarHBondContact O-N 2.88Å
538	K	58.6	Low	63.7	Low	150 Å²	150	108.6 Å²	108.6	65%	0.652	58%	0.578	S	S	*	*	H	α-helix	trans	-64.8	-36.8	171.9	-91.4	-173.4	175.6	-179.7	0	111.8	T534 R535 A541 K542	T534-K538 PolarHBondContact O-N 3.4Å; R535-K538 WeakPolarHBondContact O-CB 3.11Å; R535-K538 PolarHBondContact O-N 2.84Å; K538-A541 PolarHBondContact O-N 2.74Å; K538-K542 PolarHBondContact O-N 2.94Å
539	E	54.8	Low	60.9	Low	110 Å²	110	118.7 Å²	118.7	51%	0.514	62%	0.622	S	S	.	*	H	α-helix	trans	-70.3	-45.1	178.8	-67.4	-172.7	148.2	0	0	113.1	R535 F536 A541 K542	R535-E539 PolarHBondContact O-N 3.11Å; F536-E539 VanDerWaalsContact CD1-OE2 3.28Å; F536-E539 WeakPolarHBondContact CD1-OE2 3.45Å; F536-E539 PolarHBondContact O-N 3.16Å; E539-A541 PolarHBondContact O-N 3.07Å; E539-K542 PolarHBondContact O-N 3.45Å
540	K	50.6	Low	58.5	Low	182 Å²	182	118.3 Å²	118.3	79%	0.791	63%	0.634	S	S	*	*	H	α-helix	trans	-60.7	-31.2	175.5	-76.3	-166.6	174	-170.8	0	112.6	F536 K542	F536-K540 PolarHBondContact O-N 3.49Å; F536-K540 VanDerWaalsContact O-N 3.09Å; K540-K542 VanDerWaalsContact C-N 3.3Å; K540-K542 PolarHBondContact O-N 3.5Å
541	A	53.1	Low	55.8	Low	86 Å²	86	122.3 Å²	122.3	71%	0.711	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-12.6	175.1	0	0	0	0	0	114.6	K537 K538 E539	K537-A541 PolarHBondContact O-N 2.88Å; K538-A541 PolarHBondContact O-N 2.74Å; E539-A541 PolarHBondContact O-N 3.07Å
542	K	50.7	Low	53.4	Low	184 Å²	184	125.6 Å²	125.6	80%	0.8	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-3.4	179.1	-79.8	-169.6	174	-171.9	0	114.6	K538 E539 K540	K538-K542 PolarHBondContact O-N 2.94Å; E539-K542 PolarHBondContact O-N 3.45Å; K540-K542 VanDerWaalsContact C-N 3.3Å; K540-K542 PolarHBondContact O-N 3.5Å
543	R	40	Very low	50.9	Low	211 Å²	211	129.3 Å²	129.3	80%	0.796	71%	0.71	S	S	*	*	S	Bend	trans	-88.4	120.1	171.7	-71.8	-171.3	173.7	-161.2	-2.8	109.7	G545	R543-G545 PolarHBondContact O-N 3.02Å
544	P	41.2	Very low	48.6	Very low	121 Å²	121	128.9 Å²	128.9	79%	0.786	72%	0.72	S	S	*	*			trans	-62.1	133.9	165.5	27.7	-32.7	0	0	0	108.7	I546	P544-I546 PolarHBondContact O-N 3.16Å
545	G	38.5	Very low	46.2	Very low	89 Å²	89	132.5 Å²	132.5	92%	0.918	73%	0.733	S	S	*	*			trans	-73	87.1	-173	0	0	0	0	0	112.7	R543	R543-G545 PolarHBondContact O-N 3.02Å
546	I	39	Very low	44.2	Very low	167 Å²	167	139.2 Å²	139.2	86%	0.856	76%	0.764	S	S	*	*			trans	-89.8	138.8	171.5	-126.1	170.2	0	0	0	110.3	P544	P544-I546 PolarHBondContact O-N 3.16Å
547	G	32.1	Very low	42.3	Very low	82 Å²	82	143.5 Å²	143.5	85%	0.845	78%	0.777	S	S	*	*			trans	19.9	103.7	170.6	0	0	0	0	0	119.1
548	G	36.6	Very low	41	Very low	78 Å²	78	144.6 Å²	144.6	80%	0.804	78%	0.782	S	S	*	*			trans	-148.1	55.4	176.9	0	0	0	0	0	113.8	G550	G548-G550 PolarHBondContact O-N 2.87Å
549	F	31	Very low	40.1	Very low	212 Å²	212	143.2 Å²	143.2	93%	0.93	78%	0.782	S	S	*	*			trans	-59.8	125.1	172.6	-114.5	-107	0	0	0	110.2
550	G	38.3	Very low	39.5	Very low	69 Å²	69	142.1 Å²	142.1	71%	0.711	79%	0.792	S	S	*	*			trans	-150.6	111.7	178.2	0	0	0	0	0	110.8	G548	G548-G550 PolarHBondContact O-N 2.87Å
551	L	34.3	Very low	39	Very low	151 Å²	151	141 Å²	141	79%	0.791	79%	0.789	S	S	*	*			trans	-68.1	135.1	-177.9	-85.8	63.6	0	0	0	111
552	G	38	Very low	38.1	Very low	74 Å²	74	147 Å²	147	76%	0.763	79%	0.793	S	S	*	*			trans	-144.3	64.9	177.4	0	0	0	0	0	111.5	T554	G552-T554 PolarHBondContact O-N 3.15Å
553	Y	36.2	Very low	37.6	Very low	201 Å²	201	144.8 Å²	144.8	79%	0.788	79%	0.79	S	S	*	*			trans	-65.9	114.7	178.6	-100.8	-101.9	0	0	0	111.8
554	T	39.4	Very low	37.5	Very low	142 Å²	142	138.5 Å²	138.5	87%	0.871	78%	0.778	S	S	*	*			trans	-139.3	127.6	143.8	51.7	0	0	0	0	108.4	G552	G552-T554 PolarHBondContact O-N 3.15Å
555	E	33.3	Very low	37.4	Very low	133 Å²	133	139.3 Å²	139.3	62%	0.621	78%	0.776	S	S	*	*			trans	-103.4	138.6	-167	-173	179.2	-171.4	0	0	112.1	R557	E555-R557 IonicContact OE1-NE 3.37Å; E555-R557 PolarHBondContact OE1-NE 3.2Å
556	K	39	Very low	37.3	Very low	210 Å²	210	143.4 Å²	143.4	91%	0.913	77%	0.771	S	S	*	*			trans	-159.4	122.3	148.2	-112.6	161.5	-173.7	175.8	0	110.7
557	R	35.5	Very low	37.6	Very low	193 Å²	193	139.8 Å²	139.8	73%	0.728	76%	0.759	S	S	*	*			trans	-86.4	159.2	-177.6	-60.4	-179.5	-178.5	-161.5	-1.7	112.7	E555	E555-R557 IonicContact OE1-NE 3.37Å; E555-R557 PolarHBondContact OE1-NE 3.2Å
558	K	40.5	Very low	37.9	Very low	191 Å²	191	141.8 Å²	141.8	83%	0.83	75%	0.754	S	S	*	*				156	142.2	122.2	-82	-164.2	174.9	-175.9	0	109.3
559	D	40.2	Very low	38.1	Very low	122 Å²	122	147 Å²	147	65%	0.652	76%	0.758	S	S	*	*			cis	-165.2	165.8	-24.7	-101.8	-23.7	0	0	0	107.1
560	A	42	Very low	38.4	Very low	87 Å²	87	140.4 Å²	140.4	72%	0.719	75%	0.749	S	S	*	*			trans	67.4	150.1	168	0	0	0	0	0	118.5
561	Q	39.4	Very low	38.2	Very low	157 Å²	157	145.5 Å²	145.5	73%	0.734	76%	0.759	S	S	*	*			cis	-169.5	138.2	-32.6	-119.2	157.8	-93.7	0	0	110.9
562	R	35.1	Very low	38.5	Very low	212 Å²	212	144.9 Å²	144.9	80%	0.8	76%	0.761	S	S	*	*			trans	52.1	146.7	134.8	-75.9	-177.2	-171.6	-167.1	1.2	120.8
563	L	40.7	Very low	38.3	Very low	138 Å²	138	145.9 Å²	145.9	72%	0.723	76%	0.762	S	S	*	*			cis	-145.8	156.4	5.5	-87.4	131.6	0	0	0	107.5
564	S	36.5	Very low	38.4	Very low	79 Å²	79	142.4 Å²	142.4	55%	0.552	77%	0.768	S	S	*	*				65.5	138.8	70.7	120.7	0	0	0	0	113
565	D	39	Very low	38	Very low	138 Å²	138	140.6 Å²	140.6	74%	0.738	76%	0.761	S	S	*	*			cis	-160.6	178	6.9	-80.9	-37.3	0	0	0	108.5
566	E	38	Very low	38.3	Very low	175 Å²	175	142.1 Å²	142.1	82%	0.818	77%	0.773	S	S	*	*			cis	-160	178.9	-5.4	-109.3	-89.3	106.8	0	0	108.4
567	P	45.5	Very low	38	Very low	92 Å²	92	138.5 Å²	138.5	60%	0.597	77%	0.769	S	S	*	*			trans	-125.2	-142.4	-158.9	47.5	-38	0	0	0	117.8
568	T	36.7	Very low	38	Very low	123 Å²	123	134.3 Å²	134.3	76%	0.755	78%	0.775	S	S	*	*			trans	87.5	146	179.2	76.4	0	0	0	0	115.8
569	H	40.9	Very low	37.5	Very low	189 Å²	189	131.6 Å²	131.6	88%	0.875	78%	0.775	S	S	*	*			cis	-153	160.8	30.8	-122	-89.9	0	0	0	112
570	G	37.4	Very low	37.1	Very low	73 Å²	73	131 Å²	131	75%	0.753	78%	0.781	S	S	*	*			trans	150.1	117.6	162.3	0	0	0	0	0	117.3
571	L	35.5	Very low	36.9	Very low	175 Å²	175	131.3 Å²	131.3	92%	0.916	78%	0.777	S	S	*	*			trans	-102	170.5	172.9	-70	161.1	0	0	0	109.1
572	V	40.6	Very low	36.8	Very low	139 Å²	139	127.8 Å²	127.8	84%	0.842	78%	0.783	S	S	*	*			cis	-152	155.8	40.9	171.6	0	0	0	0	110.3
573	A	32.6	Very low	37.3	Very low	95 Å²	95	123 Å²	123	79%	0.785	78%	0.782	S	S	*	*			trans	-97.6	159.1	178.3	0	0	0	0	0	113.7
574	S	39.1	Very low	38.1	Very low	128 Å²	128	120.1 Å²	120.1	90%	0.895	77%	0.774	S	S	*	*			trans	-145.9	141	149.7	-167.2	0	0	0	0	109.9
575	S	31.3	Very low	38.8	Very low	104 Å²	104	126.4 Å²	126.4	73%	0.727	79%	0.785	S	S	*	*			trans	-107.1	147.1	-173.7	53.6	0	0	0	0	111.5
576	N	38.5	Very low	39.4	Very low	164 Å²	164	126.5 Å²	126.5	88%	0.877	79%	0.785	S	S	*	*			trans	-150.9	123	152.2	-121.9	-26.4	0	0	0	111.4
577	T	32	Very low	40.7	Very low	135 Å²	135	121.3 Å²	121.3	83%	0.828	77%	0.772	S	S	*	*			trans	-90.6	125.8	177.2	46.1	0	0	0	0	110.2
578	A	35.6	Very low	41.6	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	77%	0.766	S	S	*	*			trans	-132.3	133.2	167	0	0	0	0	0	109.8
579	T	30.5	Very low	43.2	Very low	134 Å²	134	118.4 Å²	118.4	82%	0.822	75%	0.754	S	S	*	*			trans	-108.9	170.2	-173.3	46.1	0	0	0	0	112.4
580	S	32.9	Very low	44.4	Very low	111 Å²	111	117.6 Å²	117.6	78%	0.776	75%	0.748	S	S	*	*			trans	90.3	155.5	155.4	85.7	0	0	0	0	120.8
581	S	36.6	Very low	45.9	Very low	92 Å²	92	117.6 Å²	117.6	64%	0.643	74%	0.736	S	S	*	*			trans	68.8	74.9	166.5	73.3	0	0	0	0	119.3	S583	S581-S583 PolarHBondContact O-N 3.02Å
582	G	37	Very low	47.3	Very low	84 Å²	84	112.2 Å²	112.2	87%	0.866	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	81	164.8	0	0	0	0	0	113.4
583	S	45.4	Very low	48.3	Very low	110 Å²	110	112.3 Å²	112.3	77%	0.769	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-157.8	-22.4	166.7	-83	0	0	0	0	115.5	S581 R585	S581-S583 PolarHBondContact O-N 3.02Å; S583-R585 PolarHBondContact O-N 2.78Å
584	S	58	Low	49.9	Very low	79 Å²	79	110.3 Å²	110.3	55%	0.552	69%	0.687	S	S	*	*	H	α-helix	trans	-71.2	-22.9	-168	57.2	0	0	0	0	116	L586 A587 A588	S584-L586 PolarHBondContact O-N 2.83Å; S584-A587 PolarHBondContact O-N 3.35Å; S584-A587 VanDerWaalsContact O-N 3.16Å; S584-A588 WeakPolarHBondContact O-CB 3.36Å; S584-A588 PolarHBondContact O-N 3.14Å
585	R	51	Low	50.9	Low	210 Å²	210	107.1 Å²	107.1	79%	0.792	66%	0.664	S	S	*	*	H	α-helix	trans	-65.7	-35.7	-167.4	-157.5	170.6	-170.6	144.1	2.2	114.3	S583 I589	S583-R585 PolarHBondContact O-N 2.78Å; R585-I589 WeakPolarHBondContact O-CD1 3.45Å; R585-I589 VanDerWaalsContact O-CG1 3.31Å; R585-I589 WeakPolarHBondContact O-CG1 3.5Å; R585-I589 PolarHBondContact O-N 2.87Å
586	L	51.7	Low	52.1	Low	141 Å²	141	105.6 Å²	105.6	74%	0.738	65%	0.654	S	S	*	*	H	α-helix	trans	-74.4	-35.3	174.6	-80.1	166	0	0	0	112.3	S584 I589 K590	S584-L586 PolarHBondContact O-N 2.83Å; L586-I589 PolarHBondContact O-N 3.04Å; L586-K590 PolarHBondContact O-N 2.82Å
587	A	65.2	Low	52.6	Low	65 Å²	65	106 Å²	106	54%	0.537	64%	0.644	S	S	.	*	H	α-helix	trans	-66.1	-40.9	174	0	0	0	0	0	111.4	S584 I589 K590 S591	S584-A587 PolarHBondContact O-N 3.35Å; S584-A587 VanDerWaalsContact O-N 3.16Å; A587-I589 PolarHBondContact O-N 2.92Å; A587-K590 PolarHBondContact O-N 2.99Å; A587-S591 VanDerWaalsContact O-CB 3.3Å; A587-S591 WeakPolarHBondContact O-CB 3.47Å; A587-S591 PolarHBondContact O-N 3.31Å
588	A	66	Low	53.7	Low	57 Å²	57	105.9 Å²	105.9	47%	0.471	64%	0.638	S	S	.	*	H	α-helix	trans	-61.7	-41.1	174	0	0	0	0	0	112.3	S584 S591 A592	S584-A588 WeakPolarHBondContact O-CB 3.36Å; S584-A588 PolarHBondContact O-N 3.14Å; A588-S591 PolarHBondContact O-N 3.2Å; A588-A592 WeakPolarHBondContact O-CB 3.38Å; A588-A592 PolarHBondContact O-N 2.79Å
589	I	68.5	Low	54.3	Low	98 Å²	98	107.6 Å²	107.6	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-66	-45.9	175.7	-69.2	165.1	0	0	0	111.1	R585 L586 A587 S591 A592 Y593	R585-I589 WeakPolarHBondContact O-CD1 3.45Å; R585-I589 VanDerWaalsContact O-CG1 3.31Å; R585-I589 WeakPolarHBondContact O-CG1 3.5Å; R585-I589 PolarHBondContact O-N 2.87Å; L586-I589 PolarHBondContact O-N 3.04Å; A587-I589 PolarHBondContact O-N 2.92Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.72Å; I589-A592 PolarHBondContact O-N 3.41Å; I589-Y593 PolarHBondContact O-N 3.2Å
590	K	66.6	Low	55	Low	172 Å²	172	106.5 Å²	106.5	75%	0.748	63%	0.626	S	S	*	*	H	α-helix	trans	-60.7	-40.8	174.4	-86.7	-166.2	171.9	-172.8	0	112.6	L586 A587 Y593 A594	L586-K590 PolarHBondContact O-N 2.82Å; A587-K590 PolarHBondContact O-N 2.99Å; K590-Y593 PolarHBondContact O-N 3.19Å; K590-A594 WeakPolarHBondContact O-CB 3.4Å; K590-A594 PolarHBondContact O-N 2.87Å
591	S	69.4	Low	55.1	Low	73 Å²	73	109.2 Å²	109.2	51%	0.51	62%	0.624	S	S	.	*	H	α-helix	trans	-61.1	-51.1	176.2	-174.1	0	0	0	0	111.1	A587 A588 I589 Y593 A594 S595	A587-S591 VanDerWaalsContact O-CB 3.3Å; A587-S591 WeakPolarHBondContact O-CB 3.47Å; A587-S591 PolarHBondContact O-N 3.31Å; A588-S591 PolarHBondContact O-N 3.2Å; I589-S591 VanDerWaalsContact C-N 3.33Å; I589-S591 PolarHBondContact O-N 2.72Å; S591-Y593 VanDerWaalsContact C-N 3.3Å; S591-Y593 PolarHBondContact O-N 2.84Å; S591-A594 PolarHBondContact O-N 3.26Å; S591-A594 VanDerWaalsContact O-N 3.16Å; S591-S595 PolarHBondContact O-N 2.76Å; S591-S595 PolarHBondContact O-OG 2.9Å
592	A	65.6	Low	55.2	Low	61 Å²	61	114.4 Å²	114.4	50%	0.504	64%	0.635	S	S	.	*	H	α-helix	trans	-59.1	-38.8	176.6	0	0	0	0	0	112.8	A588 I589 S596	A588-A592 WeakPolarHBondContact O-CB 3.38Å; A588-A592 PolarHBondContact O-N 2.79Å; I589-A592 PolarHBondContact O-N 3.41Å; A592-S596 WeakPolarHBondContact O-CB 3.39Å; A592-S596 PolarHBondContact O-N 3.28Å
593	Y	60.5	Low	55	Low	141 Å²	141	119.3 Å²	119.3	55%	0.553	64%	0.635	S	S	*	*	H	α-helix	trans	-65.7	-44.2	175.7	-128.6	-92.1	0	0	0	112	I589 K590 S591 S596 Y597	I589-Y593 PolarHBondContact O-N 3.2Å; K590-Y593 PolarHBondContact O-N 3.19Å; S591-Y593 VanDerWaalsContact C-N 3.3Å; S591-Y593 PolarHBondContact O-N 2.84Å; Y593-S596 PolarHBondContact O-N 3.32Å; Y593-Y597 WeakPolarHBondContact O-CB 3.14Å; Y593-Y597 PolarHBondContact O-N 2.8Å
594	A	66.5	Low	54.5	Low	54 Å²	54	118.6 Å²	118.6	45%	0.446	64%	0.636	S	S	.	*	H	α-helix	trans	-64.8	-44.1	177	0	0	0	0	0	112.2	K590 S591 S596 Y597 L598	K590-A594 WeakPolarHBondContact O-CB 3.4Å; K590-A594 PolarHBondContact O-N 2.87Å; S591-A594 PolarHBondContact O-N 3.26Å; S591-A594 VanDerWaalsContact O-N 3.16Å; A594-S596 VanDerWaalsContact C-N 3.33Å; A594-S596 PolarHBondContact O-N 2.9Å; A594-Y597 PolarHBondContact O-N 3.03Å; A594-L598 WeakPolarHBondContact O-CG 3.49Å; A594-L598 PolarHBondContact O-N 3.18Å
595	S	60.1	Low	53.5	Low	61 Å²	61	120.2 Å²	120.2	43%	0.427	65%	0.647	S	S	.	*	H	α-helix	trans	-61.6	-39	173.8	-59.3	0	0	0	0	112.4	S591 N599	S591-S595 PolarHBondContact O-N 2.76Å; S591-S595 PolarHBondContact O-OG 2.9Å; S595-N599 WeakPolarHBondContact O-CB 3.06Å; S595-N599 VanDerWaalsContact O-CG 3.23Å; S595-N599 PolarHBondContact O-N 3.36Å; S595-N599 VanDerWaalsContact O-N 3.11Å; S595-N599 PolarHBondContact O-ND2 3.45Å
596	S	55.6	Low	52.5	Low	72 Å²	72	114.6 Å²	114.6	50%	0.503	65%	0.646	S	S	.	*	H	α-helix	trans	-67.7	-41.4	175.9	-163.9	0	0	0	0	111.9	A592 Y593 A594 L598 N599 T600	A592-S596 WeakPolarHBondContact O-CB 3.39Å; A592-S596 PolarHBondContact O-N 3.28Å; Y593-S596 PolarHBondContact O-N 3.32Å; A594-S596 VanDerWaalsContact C-N 3.33Å; A594-S596 PolarHBondContact O-N 2.9Å; S596-L598 PolarHBondContact O-N 3.02Å; S596-N599 PolarHBondContact O-N 3.36Å; S596-T600 PolarHBondContact O-N 2.86Å; S596-T600 VanDerWaalsContact O-N 3.17Å; S596-T600 PolarHBondContact O-OG1 3.01Å; S596-T600 VanDerWaalsContact O-OG1 3.05Å
597	Y	50.9	Low	51.7	Low	171 Å²	171	115.4 Å²	115.4	67%	0.671	65%	0.651	S	S	*	*	H	α-helix	trans	-63.9	-40.8	-179.5	-158.8	-90.8	0	0	0	111.8	Y593 A594	Y593-Y597 WeakPolarHBondContact O-CB 3.14Å; Y593-Y597 PolarHBondContact O-N 2.8Å; A594-Y597 PolarHBondContact O-N 3.03Å
598	L	54.4	Low	50.3	Low	134 Å²	134	119.3 Å²	119.3	70%	0.702	67%	0.668	S	S	*	*	H	α-helix	trans	-67	-36.6	174	-71.1	168.6	0	0	0	112.7	A594 S596 T600	A594-L598 WeakPolarHBondContact O-CG 3.49Å; A594-L598 PolarHBondContact O-N 3.18Å; S596-L598 PolarHBondContact O-N 3.02Å; L598-T600 VanDerWaalsContact C-N 3.35Å; L598-T600 PolarHBondContact O-N 3.47Å
599	N	47.5	Very low	48.7	Very low	140 Å²	140	121 Å²	121	75%	0.749	68%	0.683	S	S	*	*	H	α-helix	trans	-76.8	-14.8	-179.4	-74.9	-13.1	0	0	0	114.5	S595 S596	S595-N599 WeakPolarHBondContact O-CB 3.06Å; S595-N599 VanDerWaalsContact O-CG 3.23Å; S595-N599 PolarHBondContact O-N 3.36Å; S595-N599 VanDerWaalsContact O-N 3.11Å; S595-N599 PolarHBondContact O-ND2 3.45Å; S596-N599 PolarHBondContact O-N 3.36Å
600	T	45.4	Very low	47.2	Very low	111 Å²	111	127.9 Å²	127.9	68%	0.681	70%	0.702	S	S	*	*	H	α-helix	trans	-83.2	-24.3	176.2	-51.9	0	0	0	0	112.7	S596 L598 K602	S596-T600 PolarHBondContact O-N 2.86Å; S596-T600 VanDerWaalsContact O-N 3.17Å; S596-T600 PolarHBondContact O-OG1 3.01Å; S596-T600 VanDerWaalsContact O-OG1 3.05Å; L598-T600 VanDerWaalsContact C-N 3.35Å; L598-T600 PolarHBondContact O-N 3.47Å; T600-K602 PolarHBondContact O-N 2.7Å
601	F	36.1	Very low	45.7	Very low	167 Å²	167	126.4 Å²	126.4	73%	0.732	70%	0.703	S	S	*	*			trans	-91.1	92.5	173.9	-95.5	-87.6	0	0	0	111.7	Q603	F601-Q603 PolarHBondContact O-N 3.43Å; F601-Q603 VanDerWaalsContact O-N 3.14Å
602	K	38.3	Very low	43.9	Very low	202 Å²	202	131 Å²	131	88%	0.878	72%	0.722	S	S	*	*			trans	-66.1	110.6	160.6	-102.3	-172.8	174.9	-177.5	0	109	T600 A604	T600-K602 PolarHBondContact O-N 2.7Å; K602-A604 PolarHBondContact O-N 2.71Å
603	Q	32.5	Very low	42.5	Very low	186 Å²	186	137 Å²	137	87%	0.869	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-58.2	121.8	166.8	-172.1	173.4	9.6	0	0	108.7	F601 S605	F601-Q603 PolarHBondContact O-N 3.43Å; F601-Q603 VanDerWaalsContact O-N 3.14Å; Q603-S605 PolarHBondContact O-N 2.83Å
604	A	33.8	Very low	41.2	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-61.9	124.1	176.1	0	0	0	0	0	109.1	K602	K602-A604 PolarHBondContact O-N 2.71Å
605	S	37.8	Very low	39.8	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.4	141.5	-179.4	46.2	0	0	0	0	110.9	Q603	Q603-S605 PolarHBondContact O-N 2.83Å
606	A	31	Very low	38.8	Very low	91 Å²	91	144.7 Å²	144.7	75%	0.752	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-63.7	133.8	173.2	0	0	0	0	0	111.2
607	D	33	Very low	37.9	Very low	158 Å²	158	146.2 Å²	146.2	85%	0.845	80%	0.804	S	S	*	*			trans	-172.6	88.5	140.5	-98.5	-21.9	0	0	0	110.7
608	T	37.3	Very low	37.9	Very low	147 Å²	147	144.1 Å²	144.1	90%	0.902	81%	0.809	S	S	*	*			trans	-169.9	120.4	153.7	3.4	0	0	0	0	108.4
609	A	30.9	Very low	38.2	Very low	94 Å²	94	142.4 Å²	142.4	78%	0.777	80%	0.801	S	S	*	*			trans	-92.4	129.1	-175.1	0	0	0	0	0	111.9
610	W	38.4	Very low	39	Very low	242 Å²	242	141.9 Å²	141.9	92%	0.917	81%	0.805	S	S	*	*			trans	-147.2	145.4	152	-115.8	-65	0	0	0	111.6
611	D	35.6	Very low	40.1	Very low	141 Å²	141	138.7 Å²	138.7	75%	0.754	79%	0.785	S	S	*	*			trans	-48.9	143.2	-155.1	-63.6	-71.1	0	0	0	120.2	K613	D611-K613 PolarHBondContact O-N 3.11Å
612	N	31.6	Very low	41.5	Very low	170 Å²	170	133.9 Å²	133.9	91%	0.909	77%	0.771	S	S	*	*			trans	-66.6	113.3	161.3	-79.8	-60.3	0	0	0	111.6
613	K	35.4	Very low	43.1	Very low	187 Å²	187	129.8 Å²	129.8	81%	0.813	76%	0.755	S	S	*	*			trans	-132	132.8	148.5	-79.3	-173.7	178.4	170.4	0	110.2	D611 H615	D611-K613 PolarHBondContact O-N 3.11Å; K613-H615 PolarHBondContact O-N 2.75Å
614	A	32.5	Very low	45.1	Very low	105 Å²	105	128.5 Å²	128.5	87%	0.868	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-68.5	125	-174	0	0	0	0	0	111.3
615	H	37.9	Very low	47	Very low	187 Å²	187	129.2 Å²	129.2	87%	0.866	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-93.3	127.9	170.1	-95.1	-91.7	0	0	0	111.4	K613	K613-H615 PolarHBondContact O-N 2.75Å
616	V	40.1	Very low	48.9	Very low	125 Å²	125	127.8 Å²	127.8	76%	0.758	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-67.3	148.1	179.3	179	0	0	0	0	110.1	T618	V616-T618 PolarHBondContact O-N 3.38Å
617	A	36.1	Very low	51	Low	103 Å²	103	131.7 Å²	131.7	85%	0.851	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-57.3	120.3	174.3	0	0	0	0	0	111.1
618	T	50.2	Low	52.9	Low	128 Å²	128	128.3 Å²	128.3	79%	0.785	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-91.4	137.3	179.8	41.6	0	0	0	0	111.6	V616	V616-T618 PolarHBondContact O-N 3.38Å
619	D	61.1	Low	54.7	Low	98 Å²	98	127 Å²	127	52%	0.524	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-65.1	123.2	176.8	178	-17.5	0	0	0	111	T621 K626	D619-T621 PolarHBondContact O-N 3.48Å; D619-T621 VanDerWaalsContact O-N 3.12Å; D619-T621 WeakPolarHBondContact OD1-CB 3.36Å; D619-T621 WeakPolarHBondContact OD1-CG2 3.47Å; D619-T621 PolarHBondContact OD1-N 3.04Å; D619-T621 PolarHBondContact OD1-OG1 2.86Å; D619-T621 PolarHBondContact OD2-OG1 2.92Å; D619-T621 VanDerWaalsContact OD2-OG1 3.12Å; D619-K626 PolarHBondContact O-NZ 3.03Å
620	P	63.9	Low	56.8	Low	128 Å²	128	125.3 Å²	125.3	83%	0.831	65%	0.653	S	S	*	*			trans	-70.9	1.8	-176.7	31.8	-37.8	0	0	0	115
621	T	68.7	Low	58.3	Low	45 Å²	45	120.4 Å²	120.4	28%	0.276	64%	0.638	S	S	.	*			trans	-62.6	129.4	173.7	41.3	0	0	0	0	112.1	D619 K626	D619-T621 PolarHBondContact O-N 3.48Å; D619-T621 VanDerWaalsContact O-N 3.12Å; D619-T621 WeakPolarHBondContact OD1-CB 3.36Å; D619-T621 WeakPolarHBondContact OD1-CG2 3.47Å; D619-T621 PolarHBondContact OD1-N 3.04Å; D619-T621 PolarHBondContact OD1-OG1 2.86Å; D619-T621 PolarHBondContact OD2-OG1 2.92Å; D619-T621 VanDerWaalsContact OD2-OG1 3.12Å; T621-K626 WeakPolarHBondContact O-CE 3.48Å; T621-K626 PolarHBondContact O-NZ 2.72Å; T621-K626 WeakPolarHBondContact OG1-CE 3.34Å
622	P	65.9	Low	60	Low	66 Å²	66	122.7 Å²	122.7	43%	0.429	64%	0.636	S	S	.	*			trans	-62.1	149.2	178.4	-26.7	35.8	0	0	0	114.3	W624 K625 K626	P622-W624 VanDerWaalsContact C-N 3.29Å; P622-W624 PolarHBondContact O-N 2.9Å; P622-K625 PolarHBondContact O-N 3.43Å; P622-K626 PolarHBondContact O-N 3.41Å
623	E	70.8	Confident	61.8	Low	116 Å²	116	120.6 Å²	120.6	54%	0.542	62%	0.624	S	S	.	*	H	α-helix	trans	-41.9	-50	175.5	-102.1	-75.3	123.1	0	0	113.4	K625 K626 R627	E623-K625 VanDerWaalsContact C-N 3.32Å; E623-K625 PolarHBondContact O-N 2.8Å; E623-K626 WeakPolarHBondContact O-CB 3.31Å; E623-K626 PolarHBondContact O-N 3.29Å; E623-K626 VanDerWaalsContact O-N 3.12Å; E623-R627 WeakPolarHBondContact O-CG 3.48Å; E623-R627 PolarHBondContact O-N 3.02Å; E623-R627 IonicContact OE2-CZ 3.99Å; E623-R627 IonicContact OE2-NE 2.87Å; E623-R627 PolarHBondContact OE2-NE 3.1Å; E623-R627 IonicContact OE2-NH2 3.22Å; E623-R627 PolarHBondContact OE2-NH2 2.76Å
624	W	76.3	Confident	63.3	Low	159 Å²	159	115.4 Å²	115.4	60%	0.602	62%	0.616	S	S	*	*	H	α-helix	trans	-64.7	-33.3	-176	72.7	-95	0	0	0	113.2	P622 R627 I628	P622-W624 VanDerWaalsContact C-N 3.29Å; P622-W624 PolarHBondContact O-N 2.9Å; W624-R627 PolarHBondContact O-N 2.78Å; W624-I628 HydrophobicContact CE3-CD1 3.62Å; W624-I628 HydrophobicContact CZ3-CD1 3.71Å; W624-I628 WeakPolarHBondContact O-CG1 3.47Å; W624-I628 PolarHBondContact O-N 3.26Å; W624-I628 VanDerWaalsContact O-N 3.08Å
625	K	73.6	Confident	64.5	Low	109 Å²	109	116.6 Å²	116.6	47%	0.474	60%	0.604	S	S	.	*	H	α-helix	trans	-67.4	-44.9	172.2	-86.8	-168.4	171.8	-175	0	111.1	P622 E623 R627 I628 E629	P622-K625 PolarHBondContact O-N 3.43Å; E623-K625 VanDerWaalsContact C-N 3.32Å; E623-K625 PolarHBondContact O-N 2.8Å; K625-R627 PolarHBondContact O-N 2.94Å; K625-I628 PolarHBondContact O-N 2.68Å; K625-E629 WeakPolarHBondContact O-CB 3.21Å; K625-E629 PolarHBondContact O-N 3.45Å
626	K	77.3	Confident	65	Low	84 Å²	84	113.8 Å²	113.8	37%	0.365	59%	0.594	S	S	.	*	H	α-helix	trans	-57.1	-39.3	176.1	-67.8	173	176.1	152	0	111.3	D619 T621 P622 E623 A630	D619-K626 PolarHBondContact O-NZ 3.03Å; T621-K626 WeakPolarHBondContact O-CE 3.48Å; T621-K626 PolarHBondContact O-NZ 2.72Å; T621-K626 WeakPolarHBondContact OG1-CE 3.34Å; P622-K626 PolarHBondContact O-N 3.41Å; E623-K626 WeakPolarHBondContact O-CB 3.31Å; E623-K626 PolarHBondContact O-N 3.29Å; E623-K626 VanDerWaalsContact O-N 3.12Å; K626-A630 VanDerWaalsContact O-CB 3.25Å; K626-A630 WeakPolarHBondContact O-CB 3.39Å; K626-A630 PolarHBondContact O-N 3.28Å
627	R	75.3	Confident	65.2	Low	173 Å²	173	116.6 Å²	116.6	65%	0.653	60%	0.598	S	S	*	*	H	α-helix	trans	-66.2	-46.1	174.6	-65.9	-179.9	-167.4	-161	3.1	113.2	E623 W624 K625 E629 F631	E623-R627 WeakPolarHBondContact O-CG 3.48Å; E623-R627 PolarHBondContact O-N 3.02Å; E623-R627 IonicContact OE2-CZ 3.99Å; E623-R627 IonicContact OE2-NE 2.87Å; E623-R627 PolarHBondContact OE2-NE 3.1Å; E623-R627 IonicContact OE2-NH2 3.22Å; E623-R627 PolarHBondContact OE2-NH2 2.76Å; W624-R627 PolarHBondContact O-N 2.78Å; K625-R627 PolarHBondContact O-N 2.94Å; R627-E629 VanDerWaalsContact C-N 3.34Å; R627-E629 PolarHBondContact O-N 2.82Å; R627-F631 WeakPolarHBondContact O-CB 3.47Å; R627-F631 PolarHBondContact O-N 3.41Å
628	I	72.7	Confident	65.8	Low	87 Å²	87	117.1 Å²	117.1	45%	0.446	59%	0.593	S	S	.	*	H	α-helix	trans	-63.4	-40.5	176.9	-69.6	175.7	0	0	0	111.6	W624 K625 F631 R632	W624-I628 HydrophobicContact CE3-CD1 3.62Å; W624-I628 HydrophobicContact CZ3-CD1 3.71Å; W624-I628 WeakPolarHBondContact O-CG1 3.47Å; W624-I628 PolarHBondContact O-N 3.26Å; W624-I628 VanDerWaalsContact O-N 3.08Å; K625-I628 PolarHBondContact O-N 2.68Å; I628-F631 PolarHBondContact O-N 3.21Å; I628-R632 PolarHBondContact O-N 2.86Å
629	E	73.9	Confident	65.2	Low	121 Å²	121	117.3 Å²	117.3	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-70.9	-40.6	-178.6	-160.3	146.3	-123	0	0	111.5	K625 R627 F631 R632 L633	K625-E629 WeakPolarHBondContact O-CB 3.21Å; K625-E629 PolarHBondContact O-N 3.45Å; R627-E629 VanDerWaalsContact C-N 3.34Å; R627-E629 PolarHBondContact O-N 2.82Å; E629-F631 PolarHBondContact O-N 2.98Å; E629-R632 PolarHBondContact O-N 2.8Å; E629-L633 WeakPolarHBondContact O-CG 3.39Å; E629-L633 PolarHBondContact O-N 2.98Å
630	A	75.3	Confident	64.4	Low	58 Å²	58	118.4 Å²	118.4	48%	0.479	61%	0.612	S	S	.	*	H	α-helix	trans	-60.4	-41.8	168.8	0	0	0	0	0	112.4	K626 R632 L633 A634	K626-A630 VanDerWaalsContact O-CB 3.25Å; K626-A630 WeakPolarHBondContact O-CB 3.39Å; K626-A630 PolarHBondContact O-N 3.28Å; A630-R632 VanDerWaalsContact C-N 3.34Å; A630-R632 PolarHBondContact O-N 2.71Å; A630-L633 PolarHBondContact O-N 3.04Å; A630-A634 WeakPolarHBondContact O-CB 3.42Å; A630-A634 PolarHBondContact O-N 2.63Å
631	F	70.8	Confident	63.2	Low	139 Å²	139	121.1 Å²	121.1	61%	0.61	61%	0.613	S	S	*	*	H	α-helix	trans	-66	-36	178.8	-155.3	-84.7	0	0	0	112.3	R627 I628 E629 H635	R627-F631 WeakPolarHBondContact O-CB 3.47Å; R627-F631 PolarHBondContact O-N 3.41Å; I628-F631 PolarHBondContact O-N 3.21Å; E629-F631 PolarHBondContact O-N 2.98Å; F631-H635 AromaticContact CD1-CE1 3.75Å; F631-H635 AromaticContact CD1-ND1 3.67Å; F631-H635 AromaticContact CE1-CE1 3.25Å; F631-H635 WeakPolarHBondContact CE1-CE1 3.35Å; F631-H635 AromaticContact CE1-ND1 3.63Å; F631-H635 AromaticContact CZ-CE1 3.55Å; F631-H635 PolarHBondContact O-ND1 3.37Å
632	R	70.2	Confident	61.7	Low	189 Å²	189	124.2 Å²	124.2	71%	0.713	64%	0.637	S	S	*	*	H	α-helix	trans	-64.9	-47.8	171.1	-82.9	-177	169.9	168.7	-1.6	112.2	I628 E629 A630 A634 H635	I628-R632 PolarHBondContact O-N 2.86Å; E629-R632 PolarHBondContact O-N 2.8Å; A630-R632 VanDerWaalsContact C-N 3.34Å; A630-R632 PolarHBondContact O-N 2.71Å; R632-A634 VanDerWaalsContact C-N 3.28Å; R632-A634 PolarHBondContact O-N 2.69Å; R632-H635 PolarHBondContact O-N 2.95Å; R632-H635 VanDerWaalsContact O-N 3.16Å
633	L	70.9	Confident	60.4	Low	126 Å²	126	126.5 Å²	126.5	66%	0.66	66%	0.655	S	S	*	*	H	α-helix	trans	-63.5	-33.5	179.9	-72.5	167.1	0	0	0	112.3	E629 A630 H635	E629-L633 WeakPolarHBondContact O-CG 3.39Å; E629-L633 PolarHBondContact O-N 2.98Å; A630-L633 PolarHBondContact O-N 3.04Å; L633-H635 PolarHBondContact O-N 3.06Å
634	A	66.8	Low	59	Low	78 Å²	78	126.2 Å²	126.2	65%	0.645	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-15.6	176.2	0	0	0	0	0	114.8	A630 R632	A630-A634 WeakPolarHBondContact O-CB 3.42Å; A630-A634 PolarHBondContact O-N 2.63Å; R632-A634 VanDerWaalsContact C-N 3.28Å; R632-A634 PolarHBondContact O-N 2.69Å
635	H	57	Low	57.2	Low	130 Å²	130	123 Å²	123	60%	0.602	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107	13.6	-175.3	-76.4	84.3	0	0	0	114.4	F631 R632 L633	F631-H635 AromaticContact CD1-CE1 3.75Å; F631-H635 AromaticContact CD1-ND1 3.67Å; F631-H635 AromaticContact CE1-CE1 3.25Å; F631-H635 WeakPolarHBondContact CE1-CE1 3.35Å; F631-H635 AromaticContact CE1-ND1 3.63Å; F631-H635 AromaticContact CZ-CE1 3.55Å; F631-H635 PolarHBondContact O-ND1 3.37Å; R632-H635 PolarHBondContact O-N 2.95Å; R632-H635 VanDerWaalsContact O-N 3.16Å; L633-H635 PolarHBondContact O-N 3.06Å
636	I	48.8	Very low	55.7	Low	128 Å²	128	127.2 Å²	127.2	66%	0.656	69%	0.694	S	S	*	*			trans	-102.2	93.5	175.1	-57.5	173.7	0	0	0	109.3
637	Q	42.7	Very low	53.8	Low	183 Å²	183	127.1 Å²	127.1	86%	0.855	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-83.6	125.7	168.1	-71.9	-172	-10.4	0	0	110.5
638	P	50.5	Low	52.5	Low	114 Å²	114	124.9 Å²	124.9	74%	0.74	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-77.9	149.1	167.4	32.7	-33.4	0	0	0	110.7
639	P	36.3	Very low	51.2	Low	132 Å²	132	126.9 Å²	126.9	86%	0.857	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-76.8	146.9	177.3	32	-34.9	0	0	0	112.2
640	S	44.5	Very low	49.8	Very low	121 Å²	121	125.8 Å²	125.8	85%	0.846	76%	0.757	S	S	*	*			trans	-145.4	165.4	167.8	61.4	0	0	0	0	110.9
641	E	39.6	Very low	48.3	Very low	185 Å²	185	129 Å²	129	86%	0.864	77%	0.774	S	S	*	*			trans	-105.2	143.5	-149.9	-60.3	172.1	122.6	0	0	115.3
642	S	37	Very low	46.9	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	79%	0.786	S	S	*	*			trans	23.5	124.3	152.6	61.4	0	0	0	0	121.6
643	S	38.9	Very low	45.6	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	79%	0.788	S	S	*	*				-168.1	123.4	122.7	21.8	0	0	0	0	114.9
644	S	40	Very low	44.1	Very low	110 Å²	110	125 Å²	125	77%	0.769	80%	0.796	S	S	*	*			trans	36	138.6	144.1	59.4	0	0	0	0	124.3
645	A	39.8	Very low	42.7	Very low	90 Å²	90	127.2 Å²	127.2	74%	0.744	81%	0.806	S	S	*	*			trans	71.3	150.7	150.8	0	0	0	0	0	118.2
646	E	40.6	Very low	41.7	Very low	199 Å²	199	130.4 Å²	130.4	93%	0.93	82%	0.818	S	S	*	*			cis	-172.8	148.6	-29.4	-115.4	171.5	-164.2	0	0	106
647	G	38.9	Very low	41.2	Very low	81 Å²	81	134.5 Å²	134.5	84%	0.835	83%	0.831	S	S	*	*			trans	142.1	112.8	170.3	0	0	0	0	0	116.9
648	S	47.2	Very low	40.9	Very low	126 Å²	126	130.8 Å²	130.8	88%	0.881	83%	0.825	S	S	*	*			trans	-87.6	169.9	-171.6	-56.9	0	0	0	0	115.6
649	P	46.3	Very low	39.9	Very low	130 Å²	130	135.9 Å²	135.9	84%	0.844	83%	0.83	S	S	*	*			trans	-116.7	177.1	-157.7	43.3	-35.2	0	0	0	116.8
650	A	44.7	Very low	39.7	Very low	97 Å²	97	141.3 Å²	141.3	80%	0.802	83%	0.833	S	S	*	*			trans	-154.5	141.8	160.5	0	0	0	0	0	112.7
651	P	43.5	Very low	39.5	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	85%	0.853	S	S	*	*			trans	-125.7	155.9	-176	41.5	-30.5	0	0	0	117.1
652	S	41.1	Very low	39.5	Very low	123 Å²	123	146.6 Å²	146.6	86%	0.86	85%	0.853	S	S	*	*			trans	172.2	165.4	152.1	55.5	0	0	0	0	109.2
653	S	41.8	Very low	39.6	Very low	108 Å²	108	148.5 Å²	148.5	76%	0.755	86%	0.857	S	S	*	*			cis	-147.5	149.7	6.1	56.7	0	0	0	0	114.2
654	V	40.4	Very low	39.6	Very low	139 Å²	139	150.4 Å²	150.4	84%	0.842	86%	0.86	S	S	*	*			trans	-8.7	130	153.6	179.1	0	0	0	0	119.6
655	C	37.7	Very low	39.6	Very low	125 Å²	125	152.8 Å²	152.8	85%	0.845	87%	0.865	S	S	*	*				-162.8	155	114.2	-151.9	0	0	0	0	113.7
656	K	34.6	Very low	39.6	Very low	197 Å²	197	156.7 Å²	156.7	86%	0.857	87%	0.873	S	S	*	*			trans	-120	143.8	172.6	-70.6	-178.7	178.4	179.2	0	110.4
657	K	40.2	Very low	39.5	Very low	213 Å²	213	153.9 Å²	153.9	93%	0.926	87%	0.869	S	S	*	*			trans	-154.6	169.9	146	-111.7	170.2	-175.5	-177.5	0	109.5
658	S	35.7	Very low	39.6	Very low	106 Å²	106	159.1 Å²	159.1	74%	0.741	87%	0.871	S	S	*	*			trans	-145	144.6	-155.2	57.6	0	0	0	0	114
659	R	28.8	Very low	39	Very low	221 Å²	221	161.6 Å²	161.6	83%	0.834	87%	0.871	S	S	*	*	S	Bend	trans	53.6	126.9	140.6	-159.9	174.6	-167.2	164.3	4	116.8
660	W	33.1	Very low	38.4	Very low	245 Å²	245	164.3 Å²	164.3	93%	0.928	87%	0.873	S	S	*	*			trans	84.5	52.7	-168.2	-46.7	113.2	0	0	0	114.6
661	E	39.3	Very low	37.8	Very low	271 Å²	271	170.4 Å²	170.4	100%	1.266	88%	0.879	S	S	*	*				-116.4	0	127.4	-71.5	-176	154	0	0	106.8

Retrieved 661 of 661 residues in 177.8 ms (Link to these results)

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