A0A077YXQ6_TRITR Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A077YXQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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	53.1	Low	56.5	Low	193 Å²	193	103.8 Å²	103.8	95%	0.951	59%	0.591	S	S	*	*				0	-81.3	0	-62	-164	-74.6	0	0	109.7	V3 S4 E5	M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 PolarHBondContact O-N 3.08Å; M1-S4 PolarHBondContact O-N 2.67Å; M1-S4 PolarHBondContact O-OG 2.64Å; M1-E5 PolarHBondContact O-N 3.47Å; M1-E5 VanDerWaalsContact O-N 3.12Å
2	A	57.8	Low	57.6	Low	75 Å²	75	106.4 Å²	106.4	62%	0.62	60%	0.595	S	S	*	*	H	α-helix	trans	-46.6	-41.1	-178.3	0	0	0	0	0	116.3	F6	A2-F6 WeakPolarHBondContact O-CB 3.39Å; A2-F6 PolarHBondContact O-N 3.29Å
3	V	57	Low	58.7	Low	128 Å²	128	102.1 Å²	102.1	78%	0.776	58%	0.581	S	S	*	*	H	α-helix	trans	-67.6	-35.1	178.2	-177.3	0	0	0	0	113.1	M1 A7	M1-V3 VanDerWaalsContact C-N 3.28Å; M1-V3 PolarHBondContact O-N 3.08Å; V3-A7 WeakPolarHBondContact O-CB 3.44Å; V3-A7 PolarHBondContact O-N 3.41Å; V3-A7 VanDerWaalsContact O-N 3.11Å
4	S	54	Low	59.8	Low	64 Å²	64	99.6 Å²	99.6	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-76.9	-34.6	177.2	57.8	0	0	0	0	112	M1 A7 N8	M1-S4 PolarHBondContact O-N 2.67Å; M1-S4 PolarHBondContact O-OG 2.64Å; S4-A7 PolarHBondContact O-N 2.88Å; S4-N8 WeakPolarHBondContact O-CB 3.41Å; S4-N8 PolarHBondContact O-N 2.92Å; S4-N8 PolarHBondContact O-OD1 2.94Å
5	E	52.2	Low	61	Low	134 Å²	134	98 Å²	98	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-63.7	-41.6	172.8	-69.9	168.6	138.2	0	0	111.3	M1 N8 G9	M1-E5 PolarHBondContact O-N 3.47Å; M1-E5 VanDerWaalsContact O-N 3.12Å; E5-N8 PolarHBondContact O-N 2.87Å; E5-G9 PolarHBondContact O-N 3.17Å
6	F	49.7	Very low	62	Low	155 Å²	155	99.1 Å²	99.1	68%	0.68	57%	0.565	S	S	*	*	H	α-helix	trans	-68.1	-37.6	177.1	-160	-97.6	0	0	0	112.8	A2 I10	A2-F6 WeakPolarHBondContact O-CB 3.39Å; A2-F6 PolarHBondContact O-N 3.29Å; F6-I10 HydrophobicContact CD1-CD1 3.87Å; F6-I10 HydrophobicContact CE1-CD1 3.77Å; F6-I10 HydrophobicContact CE1-CG1 4.47Å; F6-I10 WeakPolarHBondContact O-CG1 3.34Å; F6-I10 PolarHBondContact O-N 3.11Å
7	A	54.1	Low	62.7	Low	47 Å²	47	104.6 Å²	104.6	39%	0.388	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-48.9	173.7	0	0	0	0	0	111.7	V3 S4 G9 I10 D11	V3-A7 WeakPolarHBondContact O-CB 3.44Å; V3-A7 PolarHBondContact O-N 3.41Å; V3-A7 VanDerWaalsContact O-N 3.11Å; S4-A7 PolarHBondContact O-N 2.88Å; A7-G9 VanDerWaalsContact C-N 3.29Å; A7-G9 PolarHBondContact O-N 3.48Å; A7-I10 PolarHBondContact O-N 2.99Å; A7-I10 VanDerWaalsContact O-N 3.08Å; A7-D11 PolarHBondContact O-N 3.35Å
8	N	56.9	Low	63.3	Low	97 Å²	97	102.5 Å²	102.5	52%	0.519	57%	0.565	S	S	.	*	H	α-helix	trans	-57.4	-41.5	177.5	-68.7	0.2	0	0	0	112	S4 E5 I10 D11 E12	S4-N8 WeakPolarHBondContact O-CB 3.41Å; S4-N8 PolarHBondContact O-N 2.92Å; S4-N8 PolarHBondContact O-OD1 2.94Å; E5-N8 PolarHBondContact O-N 2.87Å; N8-I10 VanDerWaalsContact C-N 3.3Å; N8-I10 PolarHBondContact O-N 3.43Å; N8-D11 PolarHBondContact O-N 2.86Å; N8-E12 PolarHBondContact O-N 3.04Å
9	G	52.8	Low	63.8	Low	38 Å²	38	103.4 Å²	103.4	39%	0.392	56%	0.562	S	S	.	*	H	α-helix	trans	-66.3	-26.7	177.9	0	0	0	0	0	114.6	E5 A7 A13	E5-G9 PolarHBondContact O-N 3.17Å; A7-G9 VanDerWaalsContact C-N 3.29Å; A7-G9 PolarHBondContact O-N 3.48Å; G9-A13 WeakPolarHBondContact O-CB 3.4Å; G9-A13 PolarHBondContact O-N 2.98Å
10	I	66.1	Low	64.2	Low	97 Å²	97	100.3 Å²	100.3	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-73	-43.4	173.1	-69.3	168.7	0	0	0	110.4	F6 A7 N8 A13 S14	F6-I10 HydrophobicContact CD1-CD1 3.87Å; F6-I10 HydrophobicContact CE1-CD1 3.77Å; F6-I10 HydrophobicContact CE1-CG1 4.47Å; F6-I10 WeakPolarHBondContact O-CG1 3.34Å; F6-I10 PolarHBondContact O-N 3.11Å; A7-I10 PolarHBondContact O-N 2.99Å; A7-I10 VanDerWaalsContact O-N 3.08Å; N8-I10 VanDerWaalsContact C-N 3.3Å; N8-I10 PolarHBondContact O-N 3.43Å; I10-A13 PolarHBondContact O-N 3.21Å; I10-S14 WeakPolarHBondContact O-CB 3.43Å; I10-S14 PolarHBondContact O-N 3.08Å
11	D	68.1	Low	64.3	Low	114 Å²	114	100 Å²	100	61%	0.61	55%	0.549	S	S	*	.	H	α-helix	trans	-65.1	-42.9	178.5	-75.6	-20.2	0	0	0	111.6	A7 N8 A13 S14 D15	A7-D11 PolarHBondContact O-N 3.35Å; N8-D11 PolarHBondContact O-N 2.86Å; D11-A13 PolarHBondContact O-N 3.09Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.19Å; D11-D15 PolarHBondContact O-N 3.17Å
12	E	69.3	Low	65.3	Low	135 Å²	135	95.7 Å²	95.7	63%	0.631	53%	0.53	S	S	*	.	H	α-helix	trans	-59.7	-42.8	173.4	-74.6	-177.4	179.1	0	0	112.3	N8 S14 D15 L16	N8-E12 PolarHBondContact O-N 3.04Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.5Å; E12-D15 PolarHBondContact O-N 2.96Å; E12-L16 WeakPolarHBondContact O-CB 3.26Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 2.88Å
13	A	72.1	Confident	66.2	Low	50 Å²	50	98.5 Å²	98.5	41%	0.413	53%	0.53	S	S	.	.	H	α-helix	trans	-66.8	-32.1	176.9	0	0	0	0	0	112.9	G9 I10 D11 R17	G9-A13 WeakPolarHBondContact O-CB 3.4Å; G9-A13 PolarHBondContact O-N 2.98Å; I10-A13 PolarHBondContact O-N 3.21Å; D11-A13 PolarHBondContact O-N 3.09Å; A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.32Å; A13-R17 VanDerWaalsContact O-N 3.08Å
14	S	74.1	Confident	67	Low	68 Å²	68	98.9 Å²	98.9	48%	0.476	52%	0.521	S	S	.	.	H	α-helix	trans	-69.7	-44.9	175.4	-168.9	0	0	0	0	111.9	I10 D11 E12 R17 T18	I10-S14 WeakPolarHBondContact O-CB 3.43Å; I10-S14 PolarHBondContact O-N 3.08Å; D11-S14 WeakPolarHBondContact O-CB 3.49Å; D11-S14 PolarHBondContact O-N 3.19Å; E12-S14 VanDerWaalsContact C-N 3.31Å; E12-S14 PolarHBondContact O-N 3.5Å; S14-R17 PolarHBondContact O-N 3.03Å; S14-T18 WeakPolarHBondContact O-CB 3.35Å; S14-T18 PolarHBondContact O-N 3.31Å; S14-T18 PolarHBondContact O-OG1 2.98Å
15	D	78.3	Confident	68.2	Low	75 Å²	75	100.9 Å²	100.9	40%	0.401	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-43.2	175.9	179.5	38.9	0	0	0	111.5	D11 E12 R17 T18 K19	D11-D15 PolarHBondContact O-N 3.17Å; E12-D15 PolarHBondContact O-N 2.96Å; D15-R17 PolarHBondContact O-N 3.45Å; D15-T18 PolarHBondContact O-N 3.4Å; D15-K19 WeakPolarHBondContact O-CB 3.44Å; D15-K19 WeakPolarHBondContact O-CG 3.26Å; D15-K19 PolarHBondContact O-N 3.29Å; D15-K19 WeakPolarHBondContact OD1-CE 3.48Å; D15-K19 IonicContact OD1-NZ 3.4Å; D15-K19 PolarHBondContact OD1-NZ 2.97Å; D15-K19 WeakPolarHBondContact OD2-CE 3.38Å; D15-K19 IonicContact OD2-NZ 2.62Å; D15-K19 PolarHBondContact OD2-NZ 3.36Å
16	L	76.7	Confident	69.7	Low	116 Å²	116	96 Å²	96	61%	0.607	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-42.9	173.4	-75.7	170.7	0	0	0	112.8	E12 T18 A20	E12-L16 WeakPolarHBondContact O-CB 3.26Å; E12-L16 VanDerWaalsContact O-CG 3.32Å; E12-L16 WeakPolarHBondContact O-CG 3.48Å; E12-L16 PolarHBondContact O-N 2.88Å; L16-T18 VanDerWaalsContact C-N 3.35Å; L16-A20 WeakPolarHBondContact O-CB 3.3Å; L16-A20 PolarHBondContact O-N 2.74Å
17	R	73.8	Confident	71.5	Confident	192 Å²	192	92.7 Å²	92.7	73%	0.725	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-40	173.9	-81.6	-177.4	172.6	-158.4	-1.2	112.3	A13 S14 D15 A20 N21	A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.32Å; A13-R17 VanDerWaalsContact O-N 3.08Å; S14-R17 PolarHBondContact O-N 3.03Å; D15-R17 PolarHBondContact O-N 3.45Å; R17-A20 PolarHBondContact O-N 3.28Å; R17-N21 WeakPolarHBondContact O-CB 3.42Å; R17-N21 VanDerWaalsContact O-CG 3.29Å; R17-N21 PolarHBondContact O-N 3.28Å
18	T	73	Confident	73.1	Confident	67 Å²	67	93.3 Å²	93.3	41%	0.411	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-45.6	178.9	-57.2	0	0	0	0	110.9	S14 D15 L16 N21 N22	S14-T18 WeakPolarHBondContact O-CB 3.35Å; S14-T18 PolarHBondContact O-N 3.31Å; S14-T18 PolarHBondContact O-OG1 2.98Å; D15-T18 PolarHBondContact O-N 3.4Å; L16-T18 VanDerWaalsContact C-N 3.35Å; T18-N21 PolarHBondContact O-N 2.81Å; T18-N22 WeakPolarHBondContact O-CB 3.43Å; T18-N22 PolarHBondContact O-N 2.9Å; T18-N22 PolarHBondContact O-ND2 2.81Å
19	K	73.6	Confident	74.7	Confident	119 Å²	119	92.9 Å²	92.9	52%	0.517	50%	0.502	S	S	.	.	H	α-helix	trans	-60.4	-44.8	173.9	-74.8	166.7	175.5	166.4	0	112.3	D15 N22 H23	D15-K19 WeakPolarHBondContact O-CB 3.44Å; D15-K19 WeakPolarHBondContact O-CG 3.26Å; D15-K19 PolarHBondContact O-N 3.29Å; D15-K19 WeakPolarHBondContact OD1-CE 3.48Å; D15-K19 IonicContact OD1-NZ 3.4Å; D15-K19 PolarHBondContact OD1-NZ 2.97Å; D15-K19 WeakPolarHBondContact OD2-CE 3.38Å; D15-K19 IonicContact OD2-NZ 2.62Å; D15-K19 PolarHBondContact OD2-NZ 3.36Å; K19-N22 PolarHBondContact O-N 2.76Å; K19-H23 WeakPolarHBondContact O-CB 3.06Å; K19-H23 PolarHBondContact O-N 2.96Å
20	A	71	Confident	76.5	Confident	41 Å²	41	91.8 Å²	91.8	34%	0.339	49%	0.486	S	S	.	.	H	α-helix	trans	-61.7	-49.1	176.1	0	0	0	0	0	111.8	L16 R17 N22 H23 F24	L16-A20 WeakPolarHBondContact O-CB 3.3Å; L16-A20 PolarHBondContact O-N 2.74Å; R17-A20 PolarHBondContact O-N 3.28Å; A20-N22 VanDerWaalsContact C-N 3.35Å; A20-N22 PolarHBondContact O-N 2.7Å; A20-H23 PolarHBondContact O-N 2.97Å; A20-F24 WeakPolarHBondContact O-CD2 3.44Å; A20-F24 PolarHBondContact O-N 3.13Å
21	N	67.8	Low	77.8	Confident	96 Å²	96	91.7 Å²	91.7	51%	0.513	48%	0.484	S	S	.	.	H	α-helix	trans	-60.6	-42.4	177.9	-75.1	-9.9	0	0	0	112.2	R17 T18 H23 F24 N25	R17-N21 WeakPolarHBondContact O-CB 3.42Å; R17-N21 VanDerWaalsContact O-CG 3.29Å; R17-N21 PolarHBondContact O-N 3.28Å; T18-N21 PolarHBondContact O-N 2.81Å; N21-H23 VanDerWaalsContact C-N 3.33Å; N21-H23 PolarHBondContact O-N 3.42Å; N21-F24 PolarHBondContact O-N 3.23Å; N21-N25 WeakPolarHBondContact O-CB 3.37Å; N21-N25 PolarHBondContact O-N 3.11Å; N21-N25 PolarHBondContact O-ND2 3.25Å
22	N	73.6	Confident	79	Confident	102 Å²	102	92.2 Å²	92.2	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-63.3	-39.4	176.2	-71.1	-13.9	0	0	0	111.8	T18 K19 A20 G26	T18-N22 WeakPolarHBondContact O-CB 3.43Å; T18-N22 PolarHBondContact O-N 2.9Å; T18-N22 PolarHBondContact O-ND2 2.81Å; K19-N22 PolarHBondContact O-N 2.76Å; A20-N22 VanDerWaalsContact C-N 3.35Å; A20-N22 PolarHBondContact O-N 2.7Å; N22-G26 PolarHBondContact O-N 2.9Å
23	H	75.6	Confident	80.2	Confident	133 Å²	133	86.2 Å²	86.2	62%	0.616	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-45.2	175.2	-175.6	70.7	0	0	0	112.4	K19 A20 N21 G26 L27	K19-H23 WeakPolarHBondContact O-CB 3.06Å; K19-H23 PolarHBondContact O-N 2.96Å; A20-H23 PolarHBondContact O-N 2.97Å; N21-H23 VanDerWaalsContact C-N 3.33Å; N21-H23 PolarHBondContact O-N 3.42Å; H23-G26 PolarHBondContact O-N 3.48Å; H23-L27 WeakPolarHBondContact O-CB 3.4Å; H23-L27 PolarHBondContact O-N 3.26Å
24	F	75.2	Confident	81.2	Confident	136 Å²	136	84.3 Å²	84.3	60%	0.596	44%	0.438	S	S	*	.	H	α-helix	trans	-62	-43.1	175.3	-81.5	-66.6	0	0	0	112.4	A20 N21 L27 A28	A20-F24 WeakPolarHBondContact O-CD2 3.44Å; A20-F24 PolarHBondContact O-N 3.13Å; N21-F24 PolarHBondContact O-N 3.23Å; F24-L27 PolarHBondContact O-N 3.15Å; F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.85Å
25	N	78	Confident	82.2	Confident	107 Å²	107	84.8 Å²	84.8	57%	0.572	44%	0.438	S	S	*	.	H	α-helix	trans	-64.7	-41.8	176.6	-71.1	-16.7	0	0	0	111.7	N21 A28 H29	N21-N25 WeakPolarHBondContact O-CB 3.37Å; N21-N25 PolarHBondContact O-N 3.11Å; N21-N25 PolarHBondContact O-ND2 3.25Å; N25-A28 PolarHBondContact O-N 3.48Å; N25-H29 WeakPolarHBondContact O-CB 3.47Å; N25-H29 PolarHBondContact O-N 2.96Å
26	G	84.4	Confident	83	Confident	32 Å²	32	88.2 Å²	88.2	33%	0.33	45%	0.445	S	S	.	.	H	α-helix	trans	-61.9	-43.2	174.9	0	0	0	0	0	112.8	N22 H23 H29 F30	N22-G26 PolarHBondContact O-N 2.9Å; H23-G26 PolarHBondContact O-N 3.48Å; G26-H29 PolarHBondContact O-N 3.12Å; G26-F30 WeakPolarHBondContact O-CB 3.32Å; G26-F30 PolarHBondContact O-N 2.89Å
27	L	86.4	Confident	83.9	Confident	85 Å²	85	82.7 Å²	82.7	45%	0.445	42%	0.416	S	S	.	.	H	α-helix	trans	-65.8	-41.2	176.4	-176.2	65	0	0	0	112.3	H23 F24 F30 Q31	H23-L27 WeakPolarHBondContact O-CB 3.4Å; H23-L27 PolarHBondContact O-N 3.26Å; F24-L27 PolarHBondContact O-N 3.15Å; L27-F30 HydrophobicContact CD1-CD1 4.4Å; L27-F30 PolarHBondContact O-N 3.03Å; L27-Q31 WeakPolarHBondContact O-CG 2.9Å; L27-Q31 PolarHBondContact O-N 3.37Å
28	A	88.7	Confident	84.8	Confident	60 Å²	60	78 Å²	78	50%	0.496	40%	0.399	S	S	.	.	H	α-helix	trans	-63.1	-45.6	176.1	0	0	0	0	0	111.6	F24 N25 Q31 E32	F24-A28 WeakPolarHBondContact O-CB 3.27Å; F24-A28 PolarHBondContact O-N 2.85Å; N25-A28 PolarHBondContact O-N 3.48Å; A28-Q31 PolarHBondContact O-N 2.91Å; A28-E32 PolarHBondContact O-N 3.02Å
29	H	89.9	Confident	85.9	Confident	88 Å²	88	80 Å²	80	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-62.9	-43.8	176.4	-178.3	50.5	0	0	0	112.2	N25 G26 Q31 E32 V33	N25-H29 WeakPolarHBondContact O-CB 3.47Å; N25-H29 PolarHBondContact O-N 2.96Å; G26-H29 PolarHBondContact O-N 3.12Å; H29-Q31 VanDerWaalsContact C-N 3.35Å; H29-Q31 PolarHBondContact O-N 3.34Å; H29-E32 WeakPolarHBondContact O-CB 3.05Å; H29-E32 PolarHBondContact O-N 3.3Å; H29-V33 WeakPolarHBondContact O-CG2 3.11Å; H29-V33 PolarHBondContact O-N 3Å
30	F	91.8	Very high	86.8	Confident	14 Å²	14	75.8 Å²	75.8	6%	0.061	39%	0.389	C	S	.	.	H	α-helix	trans	-56.3	-46.5	173.8	169.9	-107	0	0	0	112.3	G26 L27 E32 V33 L34 A56 L59 N60 I66	G26-F30 WeakPolarHBondContact O-CB 3.32Å; G26-F30 PolarHBondContact O-N 2.89Å; L27-F30 HydrophobicContact CD1-CD1 4.4Å; L27-F30 PolarHBondContact O-N 3.03Å; F30-E32 PolarHBondContact O-N 2.9Å; F30-V33 PolarHBondContact O-N 3.02Å; F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CZ-CD2 4.07Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.96Å; F30-A56 HydrophobicContact CD2-CB 4.42Å; F30-A56 HydrophobicContact CE2-CB 4.23Å; F30-A56 WeakPolarHBondContact CE2-O 2.99Å; F30-L59 HydrophobicContact CB-CB 4.33Å; F30-L59 HydrophobicContact CB-CD1 4.09Å; F30-L59 HydrophobicContact CD2-CB 3.93Å; F30-L59 HydrophobicContact CD2-CD1 4.49Å; F30-N60 HydrophobicContact CD2-CB 4.02Å; F30-N60 HydrophobicContact CE2-CB 3.48Å; F30-N60 VanDerWaalsContact CE2-CB 3.48Å; F30-N60 HydrophobicContact CZ-CB 3.8Å; F30-I66 HydrophobicContact CE2-CD1 3.47Å; F30-I66 VanDerWaalsContact CE2-CD1 3.47Å; F30-I66 HydrophobicContact CZ-CD1 3.66Å
31	Q	92.2	Very high	87.8	Confident	96 Å²	96	75.8 Å²	75.8	45%	0.449	38%	0.381	S	S	.	.	H	α-helix	trans	-66.4	-34.5	178.1	-70.9	-65.2	-22.8	0	0	112.9	L27 A28 H29 T35	L27-Q31 WeakPolarHBondContact O-CG 2.9Å; L27-Q31 PolarHBondContact O-N 3.37Å; A28-Q31 PolarHBondContact O-N 2.91Å; H29-Q31 VanDerWaalsContact C-N 3.35Å; H29-Q31 PolarHBondContact O-N 3.34Å; Q31-T35 VanDerWaalsContact O-CB 3.25Å; Q31-T35 WeakPolarHBondContact O-CB 3.43Å; Q31-T35 PolarHBondContact O-N 3.23Å; Q31-T35 PolarHBondContact O-OG1 3.36Å
32	E	93.1	Very high	89	Confident	125 Å²	125	75.1 Å²	75.1	58%	0.584	39%	0.389	S	S	*	.	H	α-helix	trans	-64	-53	173.7	-172.5	-168.4	169.2	0	0	111.4	A28 H29 F30 L34 T35 R36	A28-E32 PolarHBondContact O-N 3.02Å; H29-E32 WeakPolarHBondContact O-CB 3.05Å; H29-E32 PolarHBondContact O-N 3.3Å; F30-E32 PolarHBondContact O-N 2.9Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.92Å; E32-T35 PolarHBondContact O-N 3.44Å; E32-R36 WeakPolarHBondContact O-CB 3.29Å; E32-R36 PolarHBondContact O-N 2.9Å
33	V	94.6	Very high	89.7	Confident	8 Å²	8	72.8 Å²	72.8	5%	0.048	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-44	178.7	176.3	0	0	0	0	110.5	H29 F30 R36 S37 L52 Q55 A56	H29-V33 WeakPolarHBondContact O-CG2 3.11Å; H29-V33 PolarHBondContact O-N 3Å; F30-V33 PolarHBondContact O-N 3.02Å; V33-R36 PolarHBondContact O-N 3.45Å; V33-S37 WeakPolarHBondContact O-CB 3.22Å; V33-S37 PolarHBondContact O-N 3.32Å; V33-L52 HydrophobicContact CG1-CB 4.49Å; V33-L52 HydrophobicContact CG1-CD2 4.26Å; V33-L52 VanDerWaalsContact CG1-O 3.31Å; V33-L52 WeakPolarHBondContact CG1-O 3.44Å; V33-Q55 HydrophobicContact CG1-CB 3.94Å; V33-A56 HydrophobicContact CG1-CB 4.05Å
34	L	93.6	Very high	90.2	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.058	37%	0.37	C	S	.	.	H	α-helix	trans	-64.3	-46.4	178.4	-173.4	60.4	0	0	0	112	F30 E32 R36 S37 Y38 I66	F30-L34 HydrophobicContact CE1-CD2 4.21Å; F30-L34 HydrophobicContact CZ-CD2 4.07Å; F30-L34 WeakPolarHBondContact O-CB 3.35Å; F30-L34 PolarHBondContact O-N 2.96Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.92Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.98Å; L34-S37 WeakPolarHBondContact O-CB 3.32Å; L34-S37 PolarHBondContact O-N 3.37Å; L34-S37 PolarHBondContact O-OG 2.89Å; L34-Y38 HydrophobicContact CD1-CE1 3.86Å; L34-Y38 HydrophobicContact CD1-CE2 4.14Å; L34-Y38 WeakPolarHBondContact CD1-OH 3.31Å; L34-Y38 HydrophobicContact CD2-CE2 4.4Å; L34-Y38 HydrophobicContact CG-CE1 4.47Å; L34-Y38 HydrophobicContact CG-CE2 3.86Å; L34-Y38 PolarHBondContact O-N 3.34Å; L34-I66 HydrophobicContact CD1-CD1 3.77Å; L34-I66 HydrophobicContact CD1-CG1 3.7Å; L34-I66 HydrophobicContact CD2-CD1 4.49Å
35	T	94.7	Very high	90.8	Very high	77 Å²	77	67 Å²	67	47%	0.472	36%	0.358	S	S	.	.	H	α-helix	trans	-60.2	-43.9	176.5	-60.4	0	0	0	0	111.1	Q31 E32 S37 Y38 I39	Q31-T35 VanDerWaalsContact O-CB 3.25Å; Q31-T35 WeakPolarHBondContact O-CB 3.43Å; Q31-T35 PolarHBondContact O-N 3.23Å; Q31-T35 PolarHBondContact O-OG1 3.36Å; E32-T35 PolarHBondContact O-N 3.44Å; T35-S37 PolarHBondContact O-N 3.4Å; T35-Y38 PolarHBondContact O-N 3.11Å; T35-I39 HydrophobicContact CG2-CD1 4.15Å; T35-I39 WeakPolarHBondContact O-CG1 3.27Å; T35-I39 PolarHBondContact O-N 2.97Å
36	R	95.8	Very high	91.4	Very high	147 Å²	147	62.3 Å²	62.3	56%	0.555	33%	0.333	S	S	*	.	H	α-helix	trans	-63	-40.6	175.9	-170.2	-178.8	170.6	-176.2	-5.7	111.7	E32 V33 L34 Y38 I39 I40 L52	E32-R36 WeakPolarHBondContact O-CB 3.29Å; E32-R36 PolarHBondContact O-N 2.9Å; V33-R36 PolarHBondContact O-N 3.45Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.98Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 2.71Å; R36-I39 PolarHBondContact O-N 2.71Å; R36-I40 HydrophobicContact CG-CG1 4.28Å; R36-I40 WeakPolarHBondContact O-CB 3.4Å; R36-I40 VanDerWaalsContact O-CG1 3.28Å; R36-I40 WeakPolarHBondContact O-CG1 3.46Å; R36-I40 PolarHBondContact O-N 3.46Å; R36-L52 HydrophobicContact CB-CD1 4.36Å; R36-L52 HydrophobicContact CG-CD1 3.82Å; R36-L52 HydrophobicContact CG-CD2 4.47Å
37	S	94.3	Very high	91.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-40.6	177.7	78	0	0	0	0	112.2	V33 L34 T35 F41 Y53	V33-S37 WeakPolarHBondContact O-CB 3.22Å; V33-S37 PolarHBondContact O-N 3.32Å; L34-S37 WeakPolarHBondContact O-CB 3.32Å; L34-S37 PolarHBondContact O-N 3.37Å; L34-S37 PolarHBondContact O-OG 2.89Å; T35-S37 PolarHBondContact O-N 3.4Å; S37-F41 VanDerWaalsContact O-CB 3.25Å; S37-F41 WeakPolarHBondContact O-CB 3.42Å; S37-F41 PolarHBondContact O-N 3.47Å; S37-Y53 WeakPolarHBondContact OG-CD1 3.41Å; S37-Y53 WeakPolarHBondContact OG-CE1 3.46Å
38	Y	94.1	Very high	91.9	Very high	94 Å²	94	66 Å²	66	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-68.5	-40.4	176.8	-61.8	-25.7	0	0	0	112.9	L34 T35 R36 F41 A42 Y53 N69	L34-Y38 HydrophobicContact CD1-CE1 3.86Å; L34-Y38 HydrophobicContact CD1-CE2 4.14Å; L34-Y38 WeakPolarHBondContact CD1-OH 3.31Å; L34-Y38 HydrophobicContact CD2-CE2 4.4Å; L34-Y38 HydrophobicContact CG-CE1 4.47Å; L34-Y38 HydrophobicContact CG-CE2 3.86Å; L34-Y38 PolarHBondContact O-N 3.34Å; T35-Y38 PolarHBondContact O-N 3.11Å; R36-Y38 VanDerWaalsContact C-N 3.3Å; R36-Y38 PolarHBondContact O-N 2.71Å; Y38-F41 PolarHBondContact O-N 3.46Å; Y38-A42 VanDerWaalsContact O-CB 3.31Å; Y38-A42 WeakPolarHBondContact O-CB 3.48Å; Y38-A42 PolarHBondContact O-N 3.4Å; Y38-Y53 AromaticContact CD1-CE1 3.94Å; Y38-Y53 HydrophobicContact CD1-CE1 3.94Å; Y38-Y53 AromaticContact CE1-CE1 3.87Å; Y38-Y53 HydrophobicContact CE1-CE1 3.87Å; Y38-N69 WeakPolarHBondContact CE1-ND2 3.39Å
39	I	95	Very high	92.2	Very high	110 Å²	110	63.1 Å²	63.1	56%	0.564	32%	0.316	S	S	*	.	H	α-helix	trans	-63.1	-46.9	176.1	-66.7	166.1	0	0	0	110.5	T35 R36 A42 A43	T35-I39 HydrophobicContact CG2-CD1 4.15Å; T35-I39 WeakPolarHBondContact O-CG1 3.27Å; T35-I39 PolarHBondContact O-N 2.97Å; R36-I39 PolarHBondContact O-N 2.71Å; I39-A42 PolarHBondContact O-N 2.98Å; I39-A43 WeakPolarHBondContact O-CB 3.43Å; I39-A43 PolarHBondContact O-N 3.35Å
40	I	93.2	Very high	92.5	Very high	30 Å²	30	59.8 Å²	59.8	15%	0.154	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-39.7	179.6	-68.1	-64.1	0	0	0	111.5	R36 A43 K44 Q45 K48 A49 L52	R36-I40 HydrophobicContact CG-CG1 4.28Å; R36-I40 WeakPolarHBondContact O-CB 3.4Å; R36-I40 VanDerWaalsContact O-CG1 3.28Å; R36-I40 WeakPolarHBondContact O-CG1 3.46Å; R36-I40 PolarHBondContact O-N 3.46Å; I40-A43 CarbonylContact O-C 3.16Å; I40-A43 PolarHBondContact O-N 3.22Å; I40-K44 PolarHBondContact O-N 3.07Å; I40-Q45 HydrophobicContact CG2-CB 3.86Å; I40-Q45 WeakPolarHBondContact CG2-O 3.44Å; I40-Q45 PolarHBondContact O-N 3.49Å; I40-Q45 VanDerWaalsContact O-N 3.12Å; I40-K48 HydrophobicContact CG2-CB 3.58Å; I40-A49 HydrophobicContact CG2-CB 4.15Å; I40-L52 HydrophobicContact CB-CD1 4.1Å; I40-L52 HydrophobicContact CG1-CD1 3.79Å; I40-L52 HydrophobicContact CG2-CD1 4.34Å
41	F	92.6	Very high	92.7	Very high	40 Å²	40	64.6 Å²	64.6	18%	0.175	32%	0.324	C	S	.	.	H	α-helix	trans	-64.3	-42.8	173.4	-173.9	-84.1	0	0	0	112.4	S37 Y38 A43 K44 Y46 A49 Y53 L72 A73	S37-F41 VanDerWaalsContact O-CB 3.25Å; S37-F41 WeakPolarHBondContact O-CB 3.42Å; S37-F41 PolarHBondContact O-N 3.47Å; Y38-F41 PolarHBondContact O-N 3.46Å; F41-A43 VanDerWaalsContact C-N 3.26Å; F41-A43 PolarHBondContact O-N 3.16Å; F41-K44 WeakPolarHBondContact O-CA 3.27Å; F41-K44 PolarHBondContact O-N 3.42Å; F41-Y46 AromaticContact CD2-CD1 3.78Å; F41-Y46 HydrophobicContact CD2-CD1 3.78Å; F41-Y46 HydrophobicContact CD2-CE1 4.03Å; F41-Y46 HydrophobicContact CE1-CE1 4.18Å; F41-Y46 AromaticContact CE2-CD1 3.59Å; F41-Y46 HydrophobicContact CE2-CD1 3.59Å; F41-Y46 AromaticContact CE2-CE1 3.66Å; F41-Y46 HydrophobicContact CE2-CE1 3.66Å; F41-Y46 HydrophobicContact CG-CD1 4.48Å; F41-Y46 HydrophobicContact CG-CE1 4.43Å; F41-Y46 HydrophobicContact CZ-CD1 4.15Å; F41-Y46 AromaticContact CZ-CE1 3.71Å; F41-Y46 HydrophobicContact CZ-CE1 3.71Å; F41-A49 HydrophobicContact CB-CB 3.88Å; F41-A49 HydrophobicContact CD2-CB 4.05Å; F41-A49 HydrophobicContact CG-CB 4.49Å; F41-Y53 HydrophobicContact CD2-CE2 4.04Å; F41-L72 HydrophobicContact CE1-CD2 4Å; F41-L72 HydrophobicContact CE2-CD2 4.29Å; F41-L72 HydrophobicContact CE2-CG 4.24Å; F41-L72 HydrophobicContact CZ-CD2 3.44Å; F41-L72 VanDerWaalsContact CZ-CD2 3.44Å; F41-L72 HydrophobicContact CZ-CG 3.74Å; F41-A73 HydrophobicContact CD2-CB 4.09Å; F41-A73 HydrophobicContact CE2-CB 3.86Å
42	A	91.1	Very high	93	Very high	82 Å²	82	60.4 Å²	60.4	68%	0.678	30%	0.304	S	S	*	.	H	α-helix	trans	-65.2	-30.7	176.4	0	0	0	0	0	112.3	Y38 I39 K44	Y38-A42 VanDerWaalsContact O-CB 3.31Å; Y38-A42 WeakPolarHBondContact O-CB 3.48Å; Y38-A42 PolarHBondContact O-N 3.4Å; I39-A42 PolarHBondContact O-N 2.98Å; A42-K44 PolarHBondContact O-N 2.81Å
43	A	89.1	Confident	93.2	Very high	53 Å²	53	54.6 Å²	54.6	44%	0.438	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	14.5	170.5	0	0	0	0	0	114	I39 I40 F41 Q45	I39-A43 WeakPolarHBondContact O-CB 3.43Å; I39-A43 PolarHBondContact O-N 3.35Å; I40-A43 CarbonylContact O-C 3.16Å; I40-A43 PolarHBondContact O-N 3.22Å; F41-A43 VanDerWaalsContact C-N 3.26Å; F41-A43 PolarHBondContact O-N 3.16Å; A43-Q45 PolarHBondContact O-N 3.1Å
44	K	86.7	Confident	93.3	Very high	73 Å²	73	56.2 Å²	56.2	32%	0.317	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	12.3	-179.3	-64.5	-164.9	165.3	-146.1	0	116.6	I40 F41 A42 Y46 T471 I516	I40-K44 PolarHBondContact O-N 3.07Å; F41-K44 WeakPolarHBondContact O-CA 3.27Å; F41-K44 PolarHBondContact O-N 3.42Å; A42-K44 PolarHBondContact O-N 2.81Å; K44-Y46 VanDerWaalsContact C-N 3.26Å; K44-Y46 HydrophobicContact CB-CE2 4.17Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 2.96Å; K44-Y46 PolarHBondContact O-N 2.99Å; K44-T471 HydrophobicContact CD-CG2 3.55Å; K44-I516 PolarHBondContact NZ-O 2.99Å; K44-I516 PolarHBondContact NZ-OXT 2.95Å
45	Q	87.8	Confident	93.5	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	30%	0.303	S	S	.	.			trans	-83.8	71.4	178.6	-75.8	172.9	69.8	0	0	110.1	I40 A43 D47 K48 A49	I40-Q45 HydrophobicContact CG2-CB 3.86Å; I40-Q45 WeakPolarHBondContact CG2-O 3.44Å; I40-Q45 PolarHBondContact O-N 3.49Å; I40-Q45 VanDerWaalsContact O-N 3.12Å; A43-Q45 PolarHBondContact O-N 3.1Å; Q45-D47 PolarHBondContact O-N 2.83Å; Q45-K48 HydrophobicContact CB-CB 4.48Å; Q45-K48 HydrophobicContact CB-CD 4.44Å; Q45-K48 PolarHBondContact O-N 2.95Å; Q45-A49 PolarHBondContact O-N 2.92Å
46	Y	90.7	Very high	93.6	Very high	9 Å²	9	55.9 Å²	55.9	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-38.3	-165.3	-60.8	-53.2	0	0	0	114.5	F41 K44 A49 I50 R76 M472 I516	F41-Y46 AromaticContact CD2-CD1 3.78Å; F41-Y46 HydrophobicContact CD2-CD1 3.78Å; F41-Y46 HydrophobicContact CD2-CE1 4.03Å; F41-Y46 HydrophobicContact CE1-CE1 4.18Å; F41-Y46 AromaticContact CE2-CD1 3.59Å; F41-Y46 HydrophobicContact CE2-CD1 3.59Å; F41-Y46 AromaticContact CE2-CE1 3.66Å; F41-Y46 HydrophobicContact CE2-CE1 3.66Å; F41-Y46 HydrophobicContact CG-CD1 4.48Å; F41-Y46 HydrophobicContact CG-CE1 4.43Å; F41-Y46 HydrophobicContact CZ-CD1 4.15Å; F41-Y46 AromaticContact CZ-CE1 3.71Å; F41-Y46 HydrophobicContact CZ-CE1 3.71Å; K44-Y46 VanDerWaalsContact C-N 3.26Å; K44-Y46 HydrophobicContact CB-CE2 4.17Å; K44-Y46 VanDerWaalsContact O-CD2 3.32Å; K44-Y46 WeakPolarHBondContact O-CD2 2.96Å; K44-Y46 PolarHBondContact O-N 2.99Å; Y46-A49 WeakPolarHBondContact O-CB 3.35Å; Y46-A49 PolarHBondContact O-N 2.95Å; Y46-A49 VanDerWaalsContact O-N 3.17Å; Y46-I50 WeakPolarHBondContact O-CG1 3.16Å; Y46-I50 PolarHBondContact O-N 3.43Å; Y46-R76 HydrophobicContact CD1-CB 4.08Å; Y46-R76 HydrophobicContact CD1-CG 4.18Å; Y46-R76 HydrophobicContact CD2-CB 3.51Å; Y46-R76 HydrophobicContact CD2-CG 4.19Å; Y46-R76 HydrophobicContact CE1-CB 4.24Å; Y46-R76 HydrophobicContact CE1-CG 3.92Å; Y46-R76 HydrophobicContact CE2-CB 3.65Å; Y46-R76 HydrophobicContact CE2-CG 3.89Å; Y46-R76 HydrophobicContact CG-CB 3.73Å; Y46-R76 HydrophobicContact CG-CG 4.32Å; Y46-M472 HydrophobicContact CD2-CE 4.44Å; Y46-I516 HydrophobicContact CE2-CG2 4.04Å; Y46-I516 PolarHBondContact OH-OXT 3.12Å; Y46-I516 VanDerWaalsContact OH-OXT 3.06Å
47	D	89.5	Confident	93.6	Very high	85 Å²	85	49.4 Å²	49.4	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.2	-58.9	-61.4	0	0	0	112.3	Q45 A49 I50 E51 T77	Q45-D47 PolarHBondContact O-N 2.83Å; D47-A49 PolarHBondContact O-N 3.12Å; D47-I50 WeakPolarHBondContact O-CA 3.22Å; D47-I50 WeakPolarHBondContact O-CB 3.44Å; D47-I50 PolarHBondContact O-N 2.87Å; D47-E51 PolarHBondContact O-N 2.9Å; D47-T77 WeakPolarHBondContact OD1-CG2 3.41Å
48	K	91.3	Very high	93.6	Very high	108 Å²	108	56.4 Å²	56.4	47%	0.47	29%	0.289	S	S	.	.	H	α-helix	trans	-64.9	-30	173.9	-61.6	179.3	-165.5	166.5	0	112	I40 Q45 L52	I40-K48 HydrophobicContact CG2-CB 3.58Å; Q45-K48 HydrophobicContact CB-CB 4.48Å; Q45-K48 HydrophobicContact CB-CD 4.44Å; Q45-K48 PolarHBondContact O-N 2.95Å; K48-L52 WeakPolarHBondContact O-CD1 3.49Å; K48-L52 VanDerWaalsContact O-CG 3.3Å; K48-L52 WeakPolarHBondContact O-CG 3.37Å; K48-L52 PolarHBondContact O-N 2.99Å; K48-L52 VanDerWaalsContact O-N 3.14Å
49	A	95.3	Very high	93.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.6	-39.6	171.4	0	0	0	0	0	111.2	I40 F41 Q45 Y46 D47 L52 Y53	I40-A49 HydrophobicContact CG2-CB 4.15Å; F41-A49 HydrophobicContact CB-CB 3.88Å; F41-A49 HydrophobicContact CD2-CB 4.05Å; F41-A49 HydrophobicContact CG-CB 4.49Å; Q45-A49 PolarHBondContact O-N 2.92Å; Y46-A49 WeakPolarHBondContact O-CB 3.35Å; Y46-A49 PolarHBondContact O-N 2.95Å; Y46-A49 VanDerWaalsContact O-N 3.17Å; D47-A49 PolarHBondContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 3.31Å; A49-Y53 HydrophobicContact CB-CD2 4.32Å; A49-Y53 HydrophobicContact CB-CE2 3.98Å; A49-Y53 WeakPolarHBondContact O-CB 3.31Å; A49-Y53 WeakPolarHBondContact O-CD2 3.48Å; A49-Y53 VanDerWaalsContact O-CG 3.23Å; A49-Y53 PolarHBondContact O-N 2.94Å
50	I	96.4	Very high	93.5	Very high	18 Å²	18	53.1 Å²	53.1	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-61	-44.6	174.5	-71.5	159.2	0	0	0	111.1	Y46 D47 Y53 T54 R70 A73 Y74 T77	Y46-I50 WeakPolarHBondContact O-CG1 3.16Å; Y46-I50 PolarHBondContact O-N 3.43Å; D47-I50 WeakPolarHBondContact O-CA 3.22Å; D47-I50 WeakPolarHBondContact O-CB 3.44Å; D47-I50 PolarHBondContact O-N 2.87Å; I50-Y53 PolarHBondContact O-N 3.3Å; I50-T54 WeakPolarHBondContact O-CB 3.2Å; I50-T54 PolarHBondContact O-N 2.83Å; I50-T54 PolarHBondContact O-OG1 2.93Å; I50-R70 HydrophobicContact CG1-CG 4.3Å; I50-R70 HydrophobicContact CG2-CG 4.41Å; I50-A73 HydrophobicContact CD1-CB 4.05Å; I50-A73 HydrophobicContact CG1-CB 3.54Å; I50-Y74 HydrophobicContact CB-CE1 4.39Å; I50-Y74 HydrophobicContact CD1-CD1 3.52Å; I50-Y74 HydrophobicContact CD1-CE1 3.76Å; I50-Y74 HydrophobicContact CD1-CG 4.42Å; I50-Y74 HydrophobicContact CG1-CD1 4Å; I50-Y74 HydrophobicContact CG1-CE1 3.97Å; I50-Y74 HydrophobicContact CG2-CD1 4.36Å; I50-Y74 HydrophobicContact CG2-CE1 3.49Å; I50-Y74 VanDerWaalsContact CG2-CE1 3.49Å; I50-T77 HydrophobicContact CD1-CG2 4.12Å; I50-T77 WeakPolarHBondContact CD1-OG1 3.45Å
51	E	95.9	Very high	93.6	Very high	115 Å²	115	54.9 Å²	54.9	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-51.4	174	-69.8	171.9	-168.5	0	0	111.5	D47 T54 Q55	D47-E51 PolarHBondContact O-N 2.9Å; E51-T54 WeakPolarHBondContact O-CB 3.5Å; E51-T54 PolarHBondContact O-N 3.33Å; E51-T54 VanDerWaalsContact O-N 3.13Å; E51-Q55 PolarHBondContact O-N 2.89Å
52	L	97.4	Very high	93.7	Very high	8 Å²	8	57.9 Å²	57.9	4%	0.042	31%	0.31	C	S	.	.	H	α-helix	trans	-67.5	-38.4	-178.7	-69.2	167.6	0	0	0	112.8	V33 R36 I40 K48 A49 T54 Q55 A56	V33-L52 HydrophobicContact CG1-CB 4.49Å; V33-L52 HydrophobicContact CG1-CD2 4.26Å; V33-L52 VanDerWaalsContact CG1-O 3.31Å; V33-L52 WeakPolarHBondContact CG1-O 3.44Å; R36-L52 HydrophobicContact CB-CD1 4.36Å; R36-L52 HydrophobicContact CG-CD1 3.82Å; R36-L52 HydrophobicContact CG-CD2 4.47Å; I40-L52 HydrophobicContact CB-CD1 4.1Å; I40-L52 HydrophobicContact CG1-CD1 3.79Å; I40-L52 HydrophobicContact CG2-CD1 4.34Å; K48-L52 WeakPolarHBondContact O-CD1 3.49Å; K48-L52 VanDerWaalsContact O-CG 3.3Å; K48-L52 WeakPolarHBondContact O-CG 3.37Å; K48-L52 PolarHBondContact O-N 2.99Å; K48-L52 VanDerWaalsContact O-N 3.14Å; A49-L52 PolarHBondContact O-N 3.31Å; L52-T54 VanDerWaalsContact C-N 3.26Å; L52-T54 PolarHBondContact O-N 2.97Å; L52-Q55 PolarHBondContact O-N 2.99Å; L52-A56 WeakPolarHBondContact O-CB 3.4Å; L52-A56 PolarHBondContact O-N 3.32Å
53	Y	98.1	Very high	93.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-31.6	172.1	-69.2	-45.8	0	0	0	112	S37 Y38 F41 A49 I50 A56 L57 I66 N69 R70 A73	S37-Y53 WeakPolarHBondContact OG-CD1 3.41Å; S37-Y53 WeakPolarHBondContact OG-CE1 3.46Å; Y38-Y53 AromaticContact CD1-CE1 3.94Å; Y38-Y53 HydrophobicContact CD1-CE1 3.94Å; Y38-Y53 AromaticContact CE1-CE1 3.87Å; Y38-Y53 HydrophobicContact CE1-CE1 3.87Å; F41-Y53 HydrophobicContact CD2-CE2 4.04Å; A49-Y53 HydrophobicContact CB-CD2 4.32Å; A49-Y53 HydrophobicContact CB-CE2 3.98Å; A49-Y53 WeakPolarHBondContact O-CB 3.31Å; A49-Y53 WeakPolarHBondContact O-CD2 3.48Å; A49-Y53 VanDerWaalsContact O-CG 3.23Å; A49-Y53 PolarHBondContact O-N 2.94Å; I50-Y53 PolarHBondContact O-N 3.3Å; Y53-A56 PolarHBondContact O-N 3.5Å; Y53-L57 VanDerWaalsContact O-CG 3.32Å; Y53-L57 WeakPolarHBondContact O-CG 3.46Å; Y53-L57 PolarHBondContact O-N 3.37Å; Y53-I66 HydrophobicContact CD1-CG2 3.88Å; Y53-I66 HydrophobicContact CG-CG2 4.26Å; Y53-N69 HydrophobicContact CE1-CB 3.89Å; Y53-N69 HydrophobicContact CE2-CB 4.18Å; Y53-R70 HydrophobicContact CD2-CB 3.85Å; Y53-R70 HydrophobicContact CD2-CG 4.1Å; Y53-R70 HydrophobicContact CG-CB 4.02Å; Y53-R70 HydrophobicContact CG-CG 4.38Å; Y53-A73 HydrophobicContact CD2-CB 4.49Å; Y53-A73 HydrophobicContact CE2-CB 4.31Å
54	T	97.5	Very high	94.2	Very high	41 Å²	41	54 Å²	54	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-69	-47.1	176.2	-57.9	0	0	0	0	110.8	I50 E51 L52 A56 L57 E58 R70	I50-T54 WeakPolarHBondContact O-CB 3.2Å; I50-T54 PolarHBondContact O-N 2.83Å; I50-T54 PolarHBondContact O-OG1 2.93Å; E51-T54 WeakPolarHBondContact O-CB 3.5Å; E51-T54 PolarHBondContact O-N 3.33Å; E51-T54 VanDerWaalsContact O-N 3.13Å; L52-T54 VanDerWaalsContact C-N 3.26Å; L52-T54 PolarHBondContact O-N 2.97Å; T54-A56 VanDerWaalsContact C-N 3.29Å; T54-A56 PolarHBondContact O-N 3.24Å; T54-L57 PolarHBondContact O-N 3.08Å; T54-L57 VanDerWaalsContact O-N 3.1Å; T54-E58 WeakPolarHBondContact O-CG 3.25Å; T54-E58 PolarHBondContact O-N 2.98Å; T54-R70 WeakPolarHBondContact OG1-CD 3.44Å; T54-R70 PolarHBondContact OG1-NH1 3.17Å
55	Q	96.6	Very high	94.6	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	27%	0.274	S	S	.	.	H	α-helix	trans	-57.8	-40.6	171.8	-67.8	168.6	27.4	0	0	111.8	V33 E51 L52 L57 E58 L59	V33-Q55 HydrophobicContact CG1-CB 3.94Å; E51-Q55 PolarHBondContact O-N 2.89Å; L52-Q55 PolarHBondContact O-N 2.99Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.34Å; Q55-E58 PolarHBondContact O-N 2.87Å; Q55-L59 WeakPolarHBondContact O-CG 3.35Å; Q55-L59 PolarHBondContact O-N 2.94Å
56	A	96.3	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-32.2	177.2	0	0	0	0	0	112.9	F30 V33 L52 Y53 T54 L59 N60 I66	F30-A56 HydrophobicContact CD2-CB 4.42Å; F30-A56 HydrophobicContact CE2-CB 4.23Å; F30-A56 WeakPolarHBondContact CE2-O 2.99Å; V33-A56 HydrophobicContact CG1-CB 4.05Å; L52-A56 WeakPolarHBondContact O-CB 3.4Å; L52-A56 PolarHBondContact O-N 3.32Å; Y53-A56 PolarHBondContact O-N 3.5Å; T54-A56 VanDerWaalsContact C-N 3.29Å; T54-A56 PolarHBondContact O-N 3.24Å; A56-L59 PolarHBondContact O-N 2.69Å; A56-N60 PolarHBondContact O-N 3.45Å; A56-I66 HydrophobicContact CB-CD1 3.81Å; A56-I66 HydrophobicContact CB-CG2 4.32Å
57	L	96	Very high	95.4	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-75.3	-27.2	173.4	-74.3	171.1	0	0	0	113.5	Y53 T54 Q55 L59 N60 P61 I66 W67	Y53-L57 VanDerWaalsContact O-CG 3.32Å; Y53-L57 WeakPolarHBondContact O-CG 3.46Å; Y53-L57 PolarHBondContact O-N 3.37Å; T54-L57 PolarHBondContact O-N 3.08Å; T54-L57 VanDerWaalsContact O-N 3.1Å; Q55-L57 VanDerWaalsContact C-N 3.34Å; Q55-L57 PolarHBondContact O-N 3.34Å; L57-L59 VanDerWaalsContact C-N 3.26Å; L57-N60 CarbonylContact O-C 3.56Å; L57-P61 WeakPolarHBondContact O-CA 3.49Å; L57-P61 WeakPolarHBondContact O-CB 3.48Å; L57-P61 VanDerWaalsContact O-N 3.1Å; L57-I66 HydrophobicContact CD1-CG2 4.13Å; L57-I66 HydrophobicContact CD2-CB 3.85Å; L57-I66 HydrophobicContact CD2-CG2 3.87Å; L57-I66 HydrophobicContact CG-CB 4.17Å; L57-I66 HydrophobicContact CG-CG2 3.6Å; L57-W67 HydrophobicContact CD1-CD2 3.78Å; L57-W67 HydrophobicContact CD1-CE3 3.8Å; L57-W67 HydrophobicContact CD1-CG 4.38Å; L57-W67 HydrophobicContact CD1-CH2 4.13Å; L57-W67 HydrophobicContact CD1-CZ2 4.09Å; L57-W67 HydrophobicContact CD1-CZ3 4.02Å; L57-W67 HydrophobicContact CD2-CD2 3.88Å; L57-W67 HydrophobicContact CD2-CG 3.96Å; L57-W67 HydrophobicContact CD2-CZ2 4.02Å; L57-W67 HydrophobicContact CG-CD2 4.49Å; L57-W67 HydrophobicContact CG-CZ2 4.49Å
58	E	95.2	Very high	95.8	Very high	148 Å²	148	48.3 Å²	48.3	69%	0.692	24%	0.24	S	C	*	.	H	α-helix	trans	-65.7	-32.5	169.8	-70.5	167	-177.4	0	0	111.4	T54 Q55	T54-E58 WeakPolarHBondContact O-CG 3.25Å; T54-E58 PolarHBondContact O-N 2.98Å; Q55-E58 PolarHBondContact O-N 2.87Å
59	L	93.5	Very high	96	Very high	78 Å²	78	44.3 Å²	44.3	41%	0.408	22%	0.224	S	C	.	.	H	α-helix	trans	-83.2	-33.3	176.2	-63.3	171.5	0	0	0	113.3	F30 Q55 A56 L57	F30-L59 HydrophobicContact CB-CB 4.33Å; F30-L59 HydrophobicContact CB-CD1 4.09Å; F30-L59 HydrophobicContact CD2-CB 3.93Å; F30-L59 HydrophobicContact CD2-CD1 4.49Å; Q55-L59 WeakPolarHBondContact O-CG 3.35Å; Q55-L59 PolarHBondContact O-N 2.94Å; A56-L59 PolarHBondContact O-N 2.69Å; L57-L59 VanDerWaalsContact C-N 3.26Å
60	N	93.7	Very high	96.1	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	23%	0.229	S	C	.	.			trans	-144.1	85	178.3	-171.7	4.2	0	0	0	111.8	F30 A56 L57 D62 D63	F30-N60 HydrophobicContact CD2-CB 4.02Å; F30-N60 HydrophobicContact CE2-CB 3.48Å; F30-N60 VanDerWaalsContact CE2-CB 3.48Å; F30-N60 HydrophobicContact CZ-CB 3.8Å; A56-N60 PolarHBondContact O-N 3.45Å; L57-N60 CarbonylContact O-C 3.56Å; N60-D62 PolarHBondContact O-N 3.47Å; N60-D63 HydrophobicContact CB-CB 4.49Å; N60-D63 PolarHBondContact O-N 3.11Å
61	P	94.8	Very high	96.2	Very high	67 Å²	67	44.6 Å²	44.6	44%	0.435	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-8.6	-172.4	28.9	-36.4	0	0	0	114.7	L57 W67	L57-P61 WeakPolarHBondContact O-CA 3.49Å; L57-P61 WeakPolarHBondContact O-CB 3.48Å; L57-P61 VanDerWaalsContact O-N 3.1Å; P61-W67 PolarHBondContact O-NE1 3.03Å
62	D	95	Very high	96.1	Very high	102 Å²	102	40.2 Å²	40.2	55%	0.545	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	6	179.7	-64	-45	0	0	0	113	N60 L64 K89	N60-D62 PolarHBondContact O-N 3.47Å; D62-L64 PolarHBondContact O-N 3.35Å; D62-K89 IonicContact OD1-NZ 3.76Å
63	D	95.3	Very high	96	Very high	29 Å²	29	39.8 Å²	39.8	16%	0.155	20%	0.202	C	C	.	.			trans	-75.6	93.2	172.9	-165.5	-41.2	0	0	0	112	N60 H65 I66 W67	N60-D63 HydrophobicContact CB-CB 4.49Å; N60-D63 PolarHBondContact O-N 3.11Å; D63-H65 PolarHBondContact O-N 2.72Å; D63-H65 VanDerWaalsContact O-N 3.15Å; D63-H65 WeakPolarHBondContact OD1-CA 3.37Å; D63-H65 WeakPolarHBondContact OD1-CB 3.3Å; D63-H65 IonicContact OD1-CG 3.18Å; D63-H65 PolarHBondContact OD1-N 2.99Å; D63-I66 HydrophobicContact CB-CB 4.31Å; D63-I66 HydrophobicContact CB-CD1 3.76Å; D63-I66 HydrophobicContact CB-CG1 3.92Å; D63-I66 PolarHBondContact O-N 3.41Å; D63-I66 VanDerWaalsContact O-N 3.09Å; D63-I66 PolarHBondContact OD1-N 3.43Å; D63-I66 VanDerWaalsContact OD1-N 3.16Å; D63-W67 PolarHBondContact O-N 3.08Å
64	L	95.4	Very high	95.9	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.131	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-23.6	176.9	72.5	96.8	0	0	0	114.2	D62 C68 A90 I93 D94 Y97	D62-L64 PolarHBondContact O-N 3.35Å; L64-C68 VanDerWaalsContact O-CB 3.29Å; L64-C68 WeakPolarHBondContact O-CB 3.11Å; L64-C68 PolarHBondContact O-N 3.32Å; L64-A90 HydrophobicContact CB-CB 4.29Å; L64-I93 HydrophobicContact CB-CB 4.18Å; L64-I93 HydrophobicContact CB-CD1 4.21Å; L64-I93 HydrophobicContact CB-CG2 4.06Å; L64-I93 HydrophobicContact CD2-CG2 3.94Å; L64-D94 HydrophobicContact CD2-CB 3.82Å; L64-Y97 HydrophobicContact CD1-CD1 3.38Å; L64-Y97 HydrophobicContact CD1-CD2 3.47Å; L64-Y97 VanDerWaalsContact CD1-CD2 3.47Å; L64-Y97 HydrophobicContact CD1-CE1 3.57Å; L64-Y97 HydrophobicContact CD1-CE2 3.66Å; L64-Y97 HydrophobicContact CD1-CG 3.32Å
65	H	95.6	Very high	95.7	Very high	84 Å²	84	38.7 Å²	38.7	39%	0.389	19%	0.194	S	C	.	.	H	α-helix	trans	-73	-39.3	176.4	-56.8	-30.6	0	0	0	110.7	D63 C68 N69 Y97	D63-H65 PolarHBondContact O-N 2.72Å; D63-H65 VanDerWaalsContact O-N 3.15Å; D63-H65 WeakPolarHBondContact OD1-CA 3.37Å; D63-H65 WeakPolarHBondContact OD1-CB 3.3Å; D63-H65 IonicContact OD1-CG 3.18Å; D63-H65 PolarHBondContact OD1-N 2.99Å; H65-C68 PolarHBondContact O-N 3.46Å; H65-N69 WeakPolarHBondContact O-CB 3.23Å; H65-N69 PolarHBondContact O-N 3.49Å; H65-N69 PolarHBondContact O-ND2 3.4Å; H65-N69 VanDerWaalsContact O-ND2 3.12Å; H65-Y97 AromaticContact CE1-CE2 3.63Å; H65-Y97 AromaticContact CE1-CZ 3.93Å; H65-Y97 AromaticContact ND1-CE2 3.61Å; H65-Y97 AromaticContact ND1-CZ 3.41Å; H65-Y97 PolarHBondContact ND1-OH 3.5Å; H65-Y97 VanDerWaalsContact ND1-OH 3.12Å
66	I	96.9	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-46.3	176.9	-56.3	176.2	0	0	0	110.3	F30 L34 Y53 A56 L57 D63 C68 N69 R70	F30-I66 HydrophobicContact CE2-CD1 3.47Å; F30-I66 VanDerWaalsContact CE2-CD1 3.47Å; F30-I66 HydrophobicContact CZ-CD1 3.66Å; L34-I66 HydrophobicContact CD1-CD1 3.77Å; L34-I66 HydrophobicContact CD1-CG1 3.7Å; L34-I66 HydrophobicContact CD2-CD1 4.49Å; Y53-I66 HydrophobicContact CD1-CG2 3.88Å; Y53-I66 HydrophobicContact CG-CG2 4.26Å; A56-I66 HydrophobicContact CB-CD1 3.81Å; A56-I66 HydrophobicContact CB-CG2 4.32Å; L57-I66 HydrophobicContact CD1-CG2 4.13Å; L57-I66 HydrophobicContact CD2-CB 3.85Å; L57-I66 HydrophobicContact CD2-CG2 3.87Å; L57-I66 HydrophobicContact CG-CB 4.17Å; L57-I66 HydrophobicContact CG-CG2 3.6Å; D63-I66 HydrophobicContact CB-CB 4.31Å; D63-I66 HydrophobicContact CB-CD1 3.76Å; D63-I66 HydrophobicContact CB-CG1 3.92Å; D63-I66 PolarHBondContact O-N 3.41Å; D63-I66 VanDerWaalsContact O-N 3.09Å; D63-I66 PolarHBondContact OD1-N 3.43Å; D63-I66 VanDerWaalsContact OD1-N 3.16Å; I66-C68 VanDerWaalsContact C-N 3.31Å; I66-C68 PolarHBondContact O-N 3.43Å; I66-N69 PolarHBondContact O-N 2.96Å; I66-N69 VanDerWaalsContact O-N 3.15Å; I66-R70 WeakPolarHBondContact O-CB 3.45Å; I66-R70 PolarHBondContact O-N 2.74Å
67	W	98.1	Very high	94.9	Very high	38 Å²	38	38 Å²	38	14%	0.144	19%	0.19	C	C	.	.	H	α-helix	trans	-53.1	-47.4	171.3	-70.1	108.8	0	0	0	111.8	L57 P61 D63 N69 S71 D86 K89 A90	L57-W67 HydrophobicContact CD1-CD2 3.78Å; L57-W67 HydrophobicContact CD1-CE3 3.8Å; L57-W67 HydrophobicContact CD1-CG 4.38Å; L57-W67 HydrophobicContact CD1-CH2 4.13Å; L57-W67 HydrophobicContact CD1-CZ2 4.09Å; L57-W67 HydrophobicContact CD1-CZ3 4.02Å; L57-W67 HydrophobicContact CD2-CD2 3.88Å; L57-W67 HydrophobicContact CD2-CG 3.96Å; L57-W67 HydrophobicContact CD2-CZ2 4.02Å; L57-W67 HydrophobicContact CG-CD2 4.49Å; L57-W67 HydrophobicContact CG-CZ2 4.49Å; P61-W67 PolarHBondContact O-NE1 3.03Å; D63-W67 PolarHBondContact O-N 3.08Å; W67-N69 VanDerWaalsContact C-N 3.35Å; W67-N69 PolarHBondContact O-N 3.04Å; W67-S71 VanDerWaalsContact O-CB 3.24Å; W67-S71 WeakPolarHBondContact O-CB 3.06Å; W67-S71 PolarHBondContact O-N 3.09Å; W67-D86 HydrophobicContact CE3-CB 4.09Å; W67-D86 VanDerWaalsContact CZ3-OD1 3.31Å; W67-D86 WeakPolarHBondContact CZ3-OD1 3.47Å; W67-K89 HydrophobicContact CD2-CB 4.14Å; W67-K89 HydrophobicContact CD2-CG 3.56Å; W67-K89 VanDerWaalsContact CE2-CG 3.47Å; W67-K89 HydrophobicContact CE3-CB 4.1Å; W67-K89 HydrophobicContact CE3-CG 3.88Å; W67-K89 HydrophobicContact CG-CG 4.05Å; W67-K89 HydrophobicContact CH2-CG 4.1Å; W67-K89 HydrophobicContact CZ2-CG 3.8Å; W67-K89 HydrophobicContact CZ3-CB 4.44Å; W67-K89 HydrophobicContact CZ3-CG 4.11Å; W67-A90 HydrophobicContact CB-CB 4Å
68	C	96.9	Very high	94.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-29.9	-179.8	-169.6	0	0	0	0	113.9	L64 H65 I66 L72 Y97 R103	L64-C68 VanDerWaalsContact O-CB 3.29Å; L64-C68 WeakPolarHBondContact O-CB 3.11Å; L64-C68 PolarHBondContact O-N 3.32Å; H65-C68 PolarHBondContact O-N 3.46Å; I66-C68 VanDerWaalsContact C-N 3.31Å; I66-C68 PolarHBondContact O-N 3.43Å; C68-L72 PolarHBondContact O-N 3.19Å; C68-Y97 HydrophobicContact CB-CE1 3.81Å; C68-R103 VanDerWaalsContact SG-CG 3.59Å
69	N	96.1	Very high	94.4	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-80	-38.1	177.4	-69.4	-26.3	0	0	0	112	Y38 Y53 H65 I66 W67 L72 A73	Y38-N69 WeakPolarHBondContact CE1-ND2 3.39Å; Y53-N69 HydrophobicContact CE1-CB 3.89Å; Y53-N69 HydrophobicContact CE2-CB 4.18Å; H65-N69 WeakPolarHBondContact O-CB 3.23Å; H65-N69 PolarHBondContact O-N 3.49Å; H65-N69 PolarHBondContact O-ND2 3.4Å; H65-N69 VanDerWaalsContact O-ND2 3.12Å; I66-N69 PolarHBondContact O-N 2.96Å; I66-N69 VanDerWaalsContact O-N 3.15Å; W67-N69 VanDerWaalsContact C-N 3.35Å; W67-N69 PolarHBondContact O-N 3.04Å; N69-L72 WeakPolarHBondContact O-CB 3.33Å; N69-L72 PolarHBondContact O-N 2.87Å; N69-A73 PolarHBondContact O-N 2.8Å
70	R	97.8	Very high	94.5	Very high	23 Å²	23	29.6 Å²	29.6	9%	0.087	15%	0.148	C	C	.	.	H	α-helix	trans	-68.3	-37.6	171.8	-162.4	178	68.6	177.9	-3.3	111.7	I50 Y53 T54 I66 L72 A73 Y74 D86	I50-R70 HydrophobicContact CG1-CG 4.3Å; I50-R70 HydrophobicContact CG2-CG 4.41Å; Y53-R70 HydrophobicContact CD2-CB 3.85Å; Y53-R70 HydrophobicContact CD2-CG 4.1Å; Y53-R70 HydrophobicContact CG-CB 4.02Å; Y53-R70 HydrophobicContact CG-CG 4.38Å; T54-R70 WeakPolarHBondContact OG1-CD 3.44Å; T54-R70 PolarHBondContact OG1-NH1 3.17Å; I66-R70 WeakPolarHBondContact O-CB 3.45Å; I66-R70 PolarHBondContact O-N 2.74Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.78Å; R70-A73 WeakPolarHBondContact O-CB 3.34Å; R70-A73 PolarHBondContact O-N 2.7Å; R70-Y74 HydrophobicContact CG-CD2 4.17Å; R70-Y74 HydrophobicContact CG-CE2 3.76Å; R70-Y74 WeakPolarHBondContact O-CD2 3.43Å; R70-Y74 PolarHBondContact O-N 3.3Å; R70-D86 WeakPolarHBondContact CB-OD2 3.2Å; R70-D86 IonicContact CZ-OD1 3.72Å; R70-D86 IonicContact CZ-OD2 3.83Å; R70-D86 IonicContact NE-OD1 3.79Å; R70-D86 IonicContact NE-OD2 3.78Å; R70-D86 PolarHBondContact NE-OD2 2.81Å; R70-D86 IonicContact NH2-OD1 3.06Å; R70-D86 PolarHBondContact NH2-OD1 2.83Å; R70-D86 IonicContact NH2-OD2 2.8Å; R70-D86 PolarHBondContact NH2-OD2 2.82Å
71	S	97.5	Very high	94.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.4	-41.8	167.2	179	0	0	0	0	112.6	W67 Y74 I75 A83 R103	W67-S71 VanDerWaalsContact O-CB 3.24Å; W67-S71 WeakPolarHBondContact O-CB 3.06Å; W67-S71 PolarHBondContact O-N 3.09Å; S71-Y74 PolarHBondContact O-N 3.35Å; S71-I75 WeakPolarHBondContact O-CG1 3.2Å; S71-I75 PolarHBondContact O-N 2.69Å; S71-A83 WeakPolarHBondContact O-CB 3.25Å; S71-A83 PolarHBondContact OG-O 2.83Å; S71-R103 WeakPolarHBondContact OG-CB 3.33Å
72	L	95.4	Very high	94.6	Very high	23 Å²	23	27.6 Å²	27.6	12%	0.12	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-42.8	173.5	-179.9	62.2	0	0	0	112.2	F41 C68 N69 R70 Y74 I75 R76	F41-L72 HydrophobicContact CE1-CD2 4Å; F41-L72 HydrophobicContact CE2-CD2 4.29Å; F41-L72 HydrophobicContact CE2-CG 4.24Å; F41-L72 HydrophobicContact CZ-CD2 3.44Å; F41-L72 VanDerWaalsContact CZ-CD2 3.44Å; F41-L72 HydrophobicContact CZ-CG 3.74Å; C68-L72 PolarHBondContact O-N 3.19Å; N69-L72 WeakPolarHBondContact O-CB 3.33Å; N69-L72 PolarHBondContact O-N 2.87Å; R70-L72 VanDerWaalsContact C-N 3.28Å; R70-L72 PolarHBondContact O-N 2.78Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.71Å; L72-I75 WeakPolarHBondContact O-CB 3.14Å; L72-I75 PolarHBondContact O-N 3.26Å; L72-I75 VanDerWaalsContact O-N 3.11Å; L72-R76 WeakPolarHBondContact O-CG 3.48Å; L72-R76 PolarHBondContact O-N 3.26Å
73	A	94.8	Very high	94.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-42.7	176.9	0	0	0	0	0	111.5	F41 I50 Y53 N69 R70 I75 R76 T77	F41-A73 HydrophobicContact CD2-CB 4.09Å; F41-A73 HydrophobicContact CE2-CB 3.86Å; I50-A73 HydrophobicContact CD1-CB 4.05Å; I50-A73 HydrophobicContact CG1-CB 3.54Å; Y53-A73 HydrophobicContact CD2-CB 4.49Å; Y53-A73 HydrophobicContact CE2-CB 4.31Å; N69-A73 PolarHBondContact O-N 2.8Å; R70-A73 WeakPolarHBondContact O-CB 3.34Å; R70-A73 PolarHBondContact O-N 2.7Å; A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 2.92Å; A73-R76 CarbonylContact O-C 3.01Å; A73-R76 WeakPolarHBondContact O-CA 3.45Å; A73-R76 WeakPolarHBondContact O-CB 3.4Å; A73-R76 PolarHBondContact O-N 3.14Å; A73-T77 PolarHBondContact O-N 3.36Å; A73-T77 PolarHBondContact O-OG1 2.94Å
74	Y	96	Very high	94.8	Very high	22 Å²	22	22.2 Å²	22.2	9%	0.086	11%	0.109	C	C	.	.	H	α-helix	trans	-61.6	-31.6	171.6	-71	-43.6	0	0	0	113.9	I50 R70 S71 L72 R76 T77 E78 L79 L82 D86	I50-Y74 HydrophobicContact CB-CE1 4.39Å; I50-Y74 HydrophobicContact CD1-CD1 3.52Å; I50-Y74 HydrophobicContact CD1-CE1 3.76Å; I50-Y74 HydrophobicContact CD1-CG 4.42Å; I50-Y74 HydrophobicContact CG1-CD1 4Å; I50-Y74 HydrophobicContact CG1-CE1 3.97Å; I50-Y74 HydrophobicContact CG2-CD1 4.36Å; I50-Y74 HydrophobicContact CG2-CE1 3.49Å; I50-Y74 VanDerWaalsContact CG2-CE1 3.49Å; R70-Y74 HydrophobicContact CG-CD2 4.17Å; R70-Y74 HydrophobicContact CG-CE2 3.76Å; R70-Y74 WeakPolarHBondContact O-CD2 3.43Å; R70-Y74 PolarHBondContact O-N 3.3Å; S71-Y74 PolarHBondContact O-N 3.35Å; L72-Y74 VanDerWaalsContact C-N 3.33Å; L72-Y74 PolarHBondContact O-N 2.71Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; Y74-T77 CarbonylContact O-C 3.58Å; Y74-T77 PolarHBondContact O-N 3.07Å; Y74-E78 CarbonylContact O-C 3.23Å; Y74-E78 PolarHBondContact O-N 3.3Å; Y74-L79 HydrophobicContact CD1-CB 3.83Å; Y74-L79 HydrophobicContact CD1-CD1 3.88Å; Y74-L79 HydrophobicContact CD1-CG 4.32Å; Y74-L79 HydrophobicContact CE1-CD1 4.06Å; Y74-L79 HydrophobicContact CG-CB 4.32Å; Y74-L79 PolarHBondContact O-N 3.36Å; Y74-L82 HydrophobicContact CD1-CB 4.05Å; Y74-L82 HydrophobicContact CD1-CD1 4.1Å; Y74-L82 HydrophobicContact CD2-CB 3.61Å; Y74-L82 HydrophobicContact CE1-CB 4.09Å; Y74-L82 HydrophobicContact CE1-CD1 3.58Å; Y74-L82 HydrophobicContact CE2-CB 3.65Å; Y74-L82 HydrophobicContact CE2-CD1 4.36Å; Y74-L82 HydrophobicContact CG-CB 3.82Å; Y74-D86 VanDerWaalsContact CE2-OD2 3.25Å; Y74-D86 WeakPolarHBondContact CE2-OD2 3.37Å
75	I	93.1	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-67.8	-35.7	171.4	-70	162.8	0	0	0	111	S71 L72 A73 Y80 A83 R103 T106 A107 A513 M514	S71-I75 WeakPolarHBondContact O-CG1 3.2Å; S71-I75 PolarHBondContact O-N 2.69Å; L72-I75 WeakPolarHBondContact O-CB 3.14Å; L72-I75 PolarHBondContact O-N 3.26Å; L72-I75 VanDerWaalsContact O-N 3.11Å; A73-I75 VanDerWaalsContact C-N 3.31Å; A73-I75 PolarHBondContact O-N 2.92Å; I75-Y80 HydrophobicContact CG2-CE1 4.34Å; I75-A83 HydrophobicContact CD1-CB 4.39Å; I75-A83 HydrophobicContact CG1-CB 3.69Å; I75-R103 HydrophobicContact CD1-CB 4.09Å; I75-R103 WeakPolarHBondContact CD1-O 3.24Å; I75-T106 HydrophobicContact CD1-CG2 4.19Å; I75-T106 HydrophobicContact CG2-CG2 3.92Å; I75-A107 HydrophobicContact CD1-CB 4.43Å; I75-A107 HydrophobicContact CG1-CB 4.23Å; I75-A513 WeakPolarHBondContact CG2-O 3.28Å; I75-M514 HydrophobicContact CG2-CG 4.31Å
76	R	88	Confident	95	Very high	49 Å²	49	20.8 Å²	20.8	19%	0.185	11%	0.11	C	C	.	.	H	α-helix	trans	-73.6	-27	176.6	-62	-54.8	-143.6	-160	21.6	113.1	Y46 L72 A73 Y74 S512 A513 Q515 I516	Y46-R76 HydrophobicContact CD1-CB 4.08Å; Y46-R76 HydrophobicContact CD1-CG 4.18Å; Y46-R76 HydrophobicContact CD2-CB 3.51Å; Y46-R76 HydrophobicContact CD2-CG 4.19Å; Y46-R76 HydrophobicContact CE1-CB 4.24Å; Y46-R76 HydrophobicContact CE1-CG 3.92Å; Y46-R76 HydrophobicContact CE2-CB 3.65Å; Y46-R76 HydrophobicContact CE2-CG 3.89Å; Y46-R76 HydrophobicContact CG-CB 3.73Å; Y46-R76 HydrophobicContact CG-CG 4.32Å; L72-R76 WeakPolarHBondContact O-CG 3.48Å; L72-R76 PolarHBondContact O-N 3.26Å; A73-R76 CarbonylContact O-C 3.01Å; A73-R76 WeakPolarHBondContact O-CA 3.45Å; A73-R76 WeakPolarHBondContact O-CB 3.4Å; A73-R76 PolarHBondContact O-N 3.14Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; R76-S512 PolarHBondContact NH1-O 3.32Å; R76-S512 VanDerWaalsContact NH1-O 3.09Å; R76-A513 PolarHBondContact NH1-O 3.05Å; R76-Q515 PolarHBondContact NE-O 3.21Å; R76-Q515 PolarHBondContact NH1-O 2.84Å; R76-Q515 PolarHBondContact NH2-O 2.87Å; R76-I516 VanDerWaalsContact O-CG1 3.28Å; R76-I516 WeakPolarHBondContact O-CG1 3.44Å
77	T	88.6	Confident	95.1	Very high	19 Å²	19	20.8 Å²	20.8	12%	0.117	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	15.3	175.5	61.1	0	0	0	0	113.5	D47 I50 A73 Y74 L79	D47-T77 WeakPolarHBondContact OD1-CG2 3.41Å; I50-T77 HydrophobicContact CD1-CG2 4.12Å; I50-T77 WeakPolarHBondContact CD1-OG1 3.45Å; A73-T77 PolarHBondContact O-N 3.36Å; A73-T77 PolarHBondContact O-OG1 2.94Å; Y74-T77 CarbonylContact O-C 3.58Å; Y74-T77 PolarHBondContact O-N 3.07Å; T77-L79 PolarHBondContact O-N 2.91Å; T77-L79 VanDerWaalsContact O-N 3.09Å
78	E	88.6	Confident	95.1	Very high	14 Å²	14	20.8 Å²	20.8	7%	0.065	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	13.1	174.7	-45.4	-166.9	-126.6	0	0	116.6	Y74 Y80 R292 Y330	Y74-E78 CarbonylContact O-C 3.23Å; Y74-E78 PolarHBondContact O-N 3.3Å; E78-Y80 HydrophobicContact CB-CE2 3.88Å; E78-Y80 WeakPolarHBondContact O-CD2 3.48Å; E78-Y80 PolarHBondContact O-N 3.47Å; E78-R292 IonicContact OE1-CZ 2.75Å; E78-R292 IonicContact OE1-NE 2.69Å; E78-R292 IonicContact OE1-NH2 3.34Å; E78-R292 PolarHBondContact OE1-NH2 3.38Å; E78-R292 IonicContact OE2-NH2 3.15Å; E78-R292 PolarHBondContact OE2-NH2 3.39Å; E78-Y330 PolarHBondContact OE2-OH 2.85Å
79	L	92.5	Very high	95.2	Very high	33 Å²	33	24.4 Å²	24.4	17%	0.173	13%	0.132	C	C	.	.			trans	-81.7	58.8	176.8	-52.9	-171.1	0	0	0	110.4	Y74 T77 A81 L82 A83 K416 R417	Y74-L79 HydrophobicContact CD1-CB 3.83Å; Y74-L79 HydrophobicContact CD1-CD1 3.88Å; Y74-L79 HydrophobicContact CD1-CG 4.32Å; Y74-L79 HydrophobicContact CE1-CD1 4.06Å; Y74-L79 HydrophobicContact CG-CB 4.32Å; Y74-L79 PolarHBondContact O-N 3.36Å; T77-L79 PolarHBondContact O-N 2.91Å; T77-L79 VanDerWaalsContact O-N 3.09Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 3.05Å; L79-L82 HydrophobicContact CB-CB 4.28Å; L79-L82 HydrophobicContact CB-CD1 4.11Å; L79-L82 HydrophobicContact CB-CG 4.31Å; L79-L82 HydrophobicContact CD1-CD1 3.98Å; L79-L82 WeakPolarHBondContact O-CB 3.43Å; L79-L82 PolarHBondContact O-N 3.21Å; L79-A83 PolarHBondContact O-N 3Å; L79-K416 CarbonylContact C-O 3.51Å; L79-K416 VanDerWaalsContact CA-O 3.3Å; L79-K416 WeakPolarHBondContact CA-O 3.33Å; L79-K416 HydrophobicContact CB-CB 4.39Å; L79-K416 HydrophobicContact CD2-CB 3.93Å; L79-R417 HydrophobicContact CD2-CG 4.35Å
80	Y	94.4	Very high	95.3	Very high	11 Å²	11	23.2 Å²	23.2	4%	0.043	13%	0.126	C	C	.	.	H	α-helix	trans	-61.5	-31.3	-168.6	-56.5	-56.9	0	0	0	114.5	I75 E78 A83 L84 A107 A110 M111 Y330 K416	I75-Y80 HydrophobicContact CG2-CE1 4.34Å; E78-Y80 HydrophobicContact CB-CE2 3.88Å; E78-Y80 WeakPolarHBondContact O-CD2 3.48Å; E78-Y80 PolarHBondContact O-N 3.47Å; Y80-A83 PolarHBondContact O-N 2.79Å; Y80-L84 WeakPolarHBondContact O-CB 3.43Å; Y80-L84 VanDerWaalsContact O-CG 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.44Å; Y80-L84 PolarHBondContact O-N 2.78Å; Y80-A107 HydrophobicContact CD1-CB 4.31Å; Y80-A110 HydrophobicContact CD1-CB 3.78Å; Y80-A110 HydrophobicContact CD2-CB 4Å; Y80-A110 HydrophobicContact CE1-CB 3.51Å; Y80-A110 HydrophobicContact CE2-CB 3.73Å; Y80-A110 HydrophobicContact CG-CB 4.03Å; Y80-A110 VanDerWaalsContact CZ-CB 3.49Å; Y80-M111 HydrophobicContact CD2-CG 4.18Å; Y80-M111 HydrophobicContact CG-CG 4.13Å; Y80-Y330 PolarHBondContact OH-OH 2.88Å; Y80-K416 PolarHBondContact N-O 3.33Å
81	A	94.7	Very high	95.3	Very high	32 Å²	32	23 Å²	23	26%	0.264	13%	0.126	S	C	.	.	H	α-helix	trans	-67.1	-38.6	174.4	0	0	0	0	0	111.7	L79 L84 S85 S415 K416	L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 3.05Å; A81-L84 PolarHBondContact O-N 2.67Å; A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 2.97Å; A81-S415 WeakPolarHBondContact CB-O 3.35Å; A81-K416 WeakPolarHBondContact CB-O 3.45Å; A81-K416 PolarHBondContact N-O 2.86Å
82	L	96.4	Very high	95.3	Very high	51 Å²	51	27 Å²	27	27%	0.267	16%	0.159	S	C	.	.	H	α-helix	trans	-67.6	-40.7	173	-57.5	-174.8	0	0	0	110.9	Y74 L79 L84 S85 D86 K416	Y74-L82 HydrophobicContact CD1-CB 4.05Å; Y74-L82 HydrophobicContact CD1-CD1 4.1Å; Y74-L82 HydrophobicContact CD2-CB 3.61Å; Y74-L82 HydrophobicContact CE1-CB 4.09Å; Y74-L82 HydrophobicContact CE1-CD1 3.58Å; Y74-L82 HydrophobicContact CE2-CB 3.65Å; Y74-L82 HydrophobicContact CE2-CD1 4.36Å; Y74-L82 HydrophobicContact CG-CB 3.82Å; L79-L82 HydrophobicContact CB-CB 4.28Å; L79-L82 HydrophobicContact CB-CD1 4.11Å; L79-L82 HydrophobicContact CB-CG 4.31Å; L79-L82 HydrophobicContact CD1-CD1 3.98Å; L79-L82 WeakPolarHBondContact O-CB 3.43Å; L79-L82 PolarHBondContact O-N 3.21Å; L82-L84 PolarHBondContact O-N 2.94Å; L82-S85 WeakPolarHBondContact O-CB 3.37Å; L82-S85 PolarHBondContact O-N 2.77Å; L82-D86 PolarHBondContact O-N 2.97Å; L82-K416 HydrophobicContact CD1-CB 4.11Å; L82-K416 HydrophobicContact CD1-CD 4.25Å; L82-K416 HydrophobicContact CD1-CG 3.97Å; L82-K416 HydrophobicContact CD2-CG 4.45Å; L82-K416 HydrophobicContact CG-CB 4.11Å; L82-K416 HydrophobicContact CG-CG 4.22Å; L82-K416 PolarHBondContact N-O 3.15Å
83	A	97.4	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.7	-42.3	174.2	0	0	0	0	0	113.2	S71 I75 L79 Y80 A87 A107	S71-A83 WeakPolarHBondContact O-CB 3.25Å; S71-A83 PolarHBondContact OG-O 2.83Å; I75-A83 HydrophobicContact CD1-CB 4.39Å; I75-A83 HydrophobicContact CG1-CB 3.69Å; L79-A83 PolarHBondContact O-N 3Å; Y80-A83 PolarHBondContact O-N 2.79Å; A83-A87 VanDerWaalsContact O-CB 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.41Å; A83-A87 PolarHBondContact O-N 3.21Å; A83-A107 HydrophobicContact CB-CB 4.01Å
84	L	97.1	Very high	95.5	Very high	18 Å²	18	31 Å²	31	9%	0.094	18%	0.18	C	C	.	.	H	α-helix	trans	-64.4	-40.9	175.3	-73.8	177.4	0	0	0	112.1	Y80 A81 L82 S88 R104 A107 Y108 M111	Y80-L84 WeakPolarHBondContact O-CB 3.43Å; Y80-L84 VanDerWaalsContact O-CG 3.25Å; Y80-L84 WeakPolarHBondContact O-CG 3.44Å; Y80-L84 PolarHBondContact O-N 2.78Å; A81-L84 PolarHBondContact O-N 2.67Å; L82-L84 PolarHBondContact O-N 2.94Å; L84-S88 VanDerWaalsContact O-CB 3.28Å; L84-S88 WeakPolarHBondContact O-CB 3.5Å; L84-S88 PolarHBondContact O-N 2.73Å; L84-S88 PolarHBondContact O-OG 3.24Å; L84-R104 HydrophobicContact CD2-CB 4.41Å; L84-R104 HydrophobicContact CD2-CG 3.42Å; L84-R104 VanDerWaalsContact CD2-CG 3.42Å; L84-R104 WeakPolarHBondContact CD2-O 3.28Å; L84-A107 HydrophobicContact CD2-CB 3.72Å; L84-A107 HydrophobicContact CG-CB 3.87Å; L84-Y108 HydrophobicContact CD1-CD1 3.74Å; L84-Y108 HydrophobicContact CD1-CE1 3.52Å; L84-Y108 HydrophobicContact CD2-CD1 3.57Å; L84-Y108 HydrophobicContact CD2-CD2 3.86Å; L84-Y108 HydrophobicContact CD2-CE1 3.56Å; L84-Y108 HydrophobicContact CD2-CE2 3.86Å; L84-Y108 HydrophobicContact CD2-CG 3.71Å; L84-Y108 HydrophobicContact CG-CD1 4.33Å; L84-Y108 HydrophobicContact CG-CE1 4.2Å; L84-M111 HydrophobicContact CD1-SD 3.48Å; L84-M111 WeakPolarHBondContact CD1-SD 3.33Å; L84-M111 HydrophobicContact CG-SD 4.42Å
85	S	97.2	Very high	95.5	Very high	72 Å²	72	35.5 Å²	35.5	50%	0.503	21%	0.205	S	C	.	.	H	α-helix	trans	-62.1	-55.3	177.2	-172.1	0	0	0	0	110.8	A81 L82 A87 S88 K89	A81-S85 WeakPolarHBondContact O-CB 3.23Å; A81-S85 PolarHBondContact O-N 2.97Å; L82-S85 WeakPolarHBondContact O-CB 3.37Å; L82-S85 PolarHBondContact O-N 2.77Å; S85-A87 PolarHBondContact O-N 3.26Å; S85-S88 PolarHBondContact O-N 2.83Å; S85-S88 VanDerWaalsContact O-N 3.1Å; S85-K89 PolarHBondContact O-N 3.45Å
86	D	98.3	Very high	95.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.032	24%	0.235	C	C	.	.	H	α-helix	trans	-60.1	-43.6	179.6	-83.6	15.1	0	0	0	112.2	W67 R70 Y74 L82 S88 K89 A90	W67-D86 HydrophobicContact CE3-CB 4.09Å; W67-D86 VanDerWaalsContact CZ3-OD1 3.31Å; W67-D86 WeakPolarHBondContact CZ3-OD1 3.47Å; R70-D86 WeakPolarHBondContact CB-OD2 3.2Å; R70-D86 IonicContact CZ-OD1 3.72Å; R70-D86 IonicContact CZ-OD2 3.83Å; R70-D86 IonicContact NE-OD1 3.79Å; R70-D86 IonicContact NE-OD2 3.78Å; R70-D86 PolarHBondContact NE-OD2 2.81Å; R70-D86 IonicContact NH2-OD1 3.06Å; R70-D86 PolarHBondContact NH2-OD1 2.83Å; R70-D86 IonicContact NH2-OD2 2.8Å; R70-D86 PolarHBondContact NH2-OD2 2.82Å; Y74-D86 VanDerWaalsContact CE2-OD2 3.25Å; Y74-D86 WeakPolarHBondContact CE2-OD2 3.37Å; L82-D86 PolarHBondContact O-N 2.97Å; D86-S88 VanDerWaalsContact C-N 3.32Å; D86-S88 PolarHBondContact O-N 2.85Å; D86-K89 PolarHBondContact O-N 2.64Å; D86-A90 PolarHBondContact O-N 2.84Å
87	A	98.2	Very high	96	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-36.5	176.3	0	0	0	0	0	112.2	A83 S85 A90 I91 R103 R104	A83-A87 VanDerWaalsContact O-CB 3.24Å; A83-A87 WeakPolarHBondContact O-CB 3.41Å; A83-A87 PolarHBondContact O-N 3.21Å; S85-A87 PolarHBondContact O-N 3.26Å; A87-A90 PolarHBondContact O-N 2.71Å; A87-I91 VanDerWaalsContact O-CG1 3.32Å; A87-I91 WeakPolarHBondContact O-CG1 3.43Å; A87-I91 PolarHBondContact O-N 2.8Å; A87-I91 VanDerWaalsContact O-N 3.09Å; A87-R103 HydrophobicContact CB-CB 4.1Å; A87-R104 HydrophobicContact CB-CB 3.76Å; A87-R104 HydrophobicContact CB-CG 4.24Å
88	S	98.1	Very high	96.3	Very high	39 Å²	39	39.8 Å²	39.8	27%	0.273	23%	0.234	S	C	.	.	H	α-helix	trans	-71.3	-34.8	176.2	-58.7	0	0	0	0	112.2	L84 S85 D86 I91 A92 R104	L84-S88 VanDerWaalsContact O-CB 3.28Å; L84-S88 WeakPolarHBondContact O-CB 3.5Å; L84-S88 PolarHBondContact O-N 2.73Å; L84-S88 PolarHBondContact O-OG 3.24Å; S85-S88 PolarHBondContact O-N 2.83Å; S85-S88 VanDerWaalsContact O-N 3.1Å; D86-S88 VanDerWaalsContact C-N 3.32Å; D86-S88 PolarHBondContact O-N 2.85Å; S88-I91 PolarHBondContact O-N 2.88Å; S88-A92 WeakPolarHBondContact O-CB 3.4Å; S88-A92 PolarHBondContact O-N 2.92Å; S88-R104 WeakPolarHBondContact OG-CD 3.45Å; S88-R104 PolarHBondContact OG-NH1 2.92Å
89	K	98.1	Very high	96.7	Very high	76 Å²	76	43 Å²	43	33%	0.33	25%	0.248	S	C	.	.	H	α-helix	trans	-64.9	-40.2	172.4	177	55.8	175.9	161.6	0	111.6	D62 W67 S85 D86 A92 I93	D62-K89 IonicContact OD1-NZ 3.76Å; W67-K89 HydrophobicContact CD2-CB 4.14Å; W67-K89 HydrophobicContact CD2-CG 3.56Å; W67-K89 VanDerWaalsContact CE2-CG 3.47Å; W67-K89 HydrophobicContact CE3-CB 4.1Å; W67-K89 HydrophobicContact CE3-CG 3.88Å; W67-K89 HydrophobicContact CG-CG 4.05Å; W67-K89 HydrophobicContact CH2-CG 4.1Å; W67-K89 HydrophobicContact CZ2-CG 3.8Å; W67-K89 HydrophobicContact CZ3-CB 4.44Å; W67-K89 HydrophobicContact CZ3-CG 4.11Å; S85-K89 PolarHBondContact O-N 3.45Å; D86-K89 PolarHBondContact O-N 2.64Å; K89-A92 PolarHBondContact O-N 2.77Å; K89-I93 HydrophobicContact CD-CD1 4.3Å; K89-I93 HydrophobicContact CG-CD1 4.38Å; K89-I93 WeakPolarHBondContact O-CD1 3.25Å; K89-I93 WeakPolarHBondContact O-CG1 3.49Å; K89-I93 PolarHBondContact O-N 2.8Å
90	A	98.1	Very high	96.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.9	-43.5	172.6	0	0	0	0	0	112.6	L64 W67 D86 A87 A92 I93 D94 A100	L64-A90 HydrophobicContact CB-CB 4.29Å; W67-A90 HydrophobicContact CB-CB 4Å; D86-A90 PolarHBondContact O-N 2.84Å; A87-A90 PolarHBondContact O-N 2.71Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 3.48Å; A90-I93 PolarHBondContact O-N 3.23Å; A90-D94 PolarHBondContact O-N 2.87Å; A90-D94 VanDerWaalsContact O-N 3.08Å; A90-A100 HydrophobicContact CB-CB 3.71Å
91	I	98	Very high	97.1	Very high	18 Å²	18	43 Å²	43	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-33.5	175.4	-67.8	165.2	0	0	0	111.9	A87 S88 I93 D94 D95 A100 Y101 R104	A87-I91 VanDerWaalsContact O-CG1 3.32Å; A87-I91 WeakPolarHBondContact O-CG1 3.43Å; A87-I91 PolarHBondContact O-N 2.8Å; A87-I91 VanDerWaalsContact O-N 3.09Å; S88-I91 PolarHBondContact O-N 2.88Å; I91-I93 VanDerWaalsContact C-N 3.27Å; I91-I93 PolarHBondContact O-N 2.84Å; I91-D94 CarbonylContact O-C 3.26Å; I91-D94 VanDerWaalsContact O-C 3.26Å; I91-D95 WeakPolarHBondContact O-CA 3.08Å; I91-D95 PolarHBondContact O-N 3.23Å; I91-A100 HydrophobicContact CD1-CB 4.24Å; I91-A100 HydrophobicContact CG1-CB 3.64Å; I91-Y101 HydrophobicContact CB-CE2 4.46Å; I91-Y101 HydrophobicContact CD1-CD1 3.97Å; I91-Y101 HydrophobicContact CD1-CD2 3.92Å; I91-Y101 HydrophobicContact CD1-CE1 4.06Å; I91-Y101 HydrophobicContact CD1-CE2 3.98Å; I91-Y101 HydrophobicContact CD1-CG 3.9Å; I91-Y101 HydrophobicContact CG1-CD2 3.91Å; I91-Y101 HydrophobicContact CG1-CE2 3.73Å; I91-Y101 HydrophobicContact CG1-CG 4.41Å; I91-Y101 HydrophobicContact CG2-CE1 4.42Å; I91-Y101 HydrophobicContact CG2-CE2 3.99Å; I91-Y101 WeakPolarHBondContact CG2-OH 3.35Å; I91-R104 VanDerWaalsContact CD1-CZ 3.46Å
92	A	97.9	Very high	97.1	Very high	84 Å²	84	43.2 Å²	43.2	69%	0.694	24%	0.24	S	C	*	.	H	α-helix	trans	-73.7	-16.9	177	0	0	0	0	0	113.7	S88 K89 A90	S88-A92 WeakPolarHBondContact O-CB 3.4Å; S88-A92 PolarHBondContact O-N 2.92Å; K89-A92 PolarHBondContact O-N 2.77Å; A90-A92 VanDerWaalsContact C-N 3.3Å; A90-A92 PolarHBondContact O-N 3.48Å
93	I	97.5	Very high	97.1	Very high	59 Å²	59	42.6 Å²	42.6	30%	0.303	23%	0.234	S	C	.	.	H	α-helix	trans	-86.9	-43.5	172.6	-64.8	159.5	0	0	0	110.1	L64 K89 A90 I91	L64-I93 HydrophobicContact CB-CB 4.18Å; L64-I93 HydrophobicContact CB-CD1 4.21Å; L64-I93 HydrophobicContact CB-CG2 4.06Å; L64-I93 HydrophobicContact CD2-CG2 3.94Å; K89-I93 HydrophobicContact CD-CD1 4.3Å; K89-I93 HydrophobicContact CG-CD1 4.38Å; K89-I93 WeakPolarHBondContact O-CD1 3.25Å; K89-I93 WeakPolarHBondContact O-CG1 3.49Å; K89-I93 PolarHBondContact O-N 2.8Å; A90-I93 PolarHBondContact O-N 3.23Å; I91-I93 VanDerWaalsContact C-N 3.27Å; I91-I93 PolarHBondContact O-N 2.84Å
94	D	97.2	Very high	97.1	Very high	48 Å²	48	44.6 Å²	44.6	26%	0.257	24%	0.241	S	C	.	.			trans	-145.4	107.1	176.9	177.4	6.3	0	0	0	110.1	L64 A90 I91 T96 Y97	L64-D94 HydrophobicContact CD2-CB 3.82Å; A90-D94 PolarHBondContact O-N 2.87Å; A90-D94 VanDerWaalsContact O-N 3.08Å; I91-D94 CarbonylContact O-C 3.26Å; I91-D94 VanDerWaalsContact O-C 3.26Å; D94-T96 PolarHBondContact O-N 3.01Å; D94-T96 WeakPolarHBondContact OD1-CA 3.12Å; D94-T96 VanDerWaalsContact OD1-CB 3.3Å; D94-T96 WeakPolarHBondContact OD1-CB 3.23Å; D94-T96 PolarHBondContact OD1-N 3.46Å; D94-T96 PolarHBondContact OD1-OG1 3.22Å; D94-T96 PolarHBondContact OD2-OG1 3.17Å; D94-Y97 WeakPolarHBondContact O-CB 3.5Å; D94-Y97 PolarHBondContact O-N 3Å; D94-Y97 VanDerWaalsContact O-N 3.15Å
95	D	96.2	Very high	97.1	Very high	116 Å²	116	43.8 Å²	43.8	62%	0.62	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-7.9	179.6	73.4	-14.4	0	0	0	113	I91 Y101	I91-D95 WeakPolarHBondContact O-CA 3.08Å; I91-D95 PolarHBondContact O-N 3.23Å; D95-Y101 VanDerWaalsContact O-CE2 3.29Å; D95-Y101 WeakPolarHBondContact O-CE2 3.37Å; D95-Y101 PolarHBondContact O-OH 3.16Å
96	T	95.8	Very high	96.9	Very high	101 Å²	101	40.4 Å²	40.4	62%	0.62	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-8.6	170.6	80.8	0	0	0	0	112.5	D94 V98	D94-T96 PolarHBondContact O-N 3.01Å; D94-T96 WeakPolarHBondContact OD1-CA 3.12Å; D94-T96 VanDerWaalsContact OD1-CB 3.3Å; D94-T96 WeakPolarHBondContact OD1-CB 3.23Å; D94-T96 PolarHBondContact OD1-N 3.46Å; D94-T96 PolarHBondContact OD1-OG1 3.22Å; D94-T96 PolarHBondContact OD2-OG1 3.17Å; T96-V98 VanDerWaalsContact C-N 3.33Å; T96-V98 WeakPolarHBondContact O-CG2 2.95Å; T96-V98 PolarHBondContact O-N 2.98Å
97	Y	96.1	Very high	96.7	Very high	35 Å²	35	40.1 Å²	40.1	14%	0.137	21%	0.212	C	C	.	.			trans	-77.1	77.1	-176.7	-164.4	-111.3	0	0	0	113.7	L64 H65 C68 D94 K99 A100	L64-Y97 HydrophobicContact CD1-CD1 3.38Å; L64-Y97 HydrophobicContact CD1-CD2 3.47Å; L64-Y97 VanDerWaalsContact CD1-CD2 3.47Å; L64-Y97 HydrophobicContact CD1-CE1 3.57Å; L64-Y97 HydrophobicContact CD1-CE2 3.66Å; L64-Y97 HydrophobicContact CD1-CG 3.32Å; H65-Y97 AromaticContact CE1-CE2 3.63Å; H65-Y97 AromaticContact CE1-CZ 3.93Å; H65-Y97 AromaticContact ND1-CE2 3.61Å; H65-Y97 AromaticContact ND1-CZ 3.41Å; H65-Y97 PolarHBondContact ND1-OH 3.5Å; H65-Y97 VanDerWaalsContact ND1-OH 3.12Å; C68-Y97 HydrophobicContact CB-CE1 3.81Å; D94-Y97 WeakPolarHBondContact O-CB 3.5Å; D94-Y97 PolarHBondContact O-N 3Å; D94-Y97 VanDerWaalsContact O-N 3.15Å; Y97-K99 HydrophobicContact CD1-CB 4.2Å; Y97-K99 HydrophobicContact CE1-CB 3.65Å; Y97-K99 HydrophobicContact CE1-CD 4.35Å; Y97-K99 PolarHBondContact O-N 2.8Å; Y97-K99 WeakPolarHBondContact OH-CE 3.39Å; Y97-K99 PolarHBondContact OH-NZ 3.34Å; Y97-A100 HydrophobicContact CD1-CB 3.92Å; Y97-A100 PolarHBondContact O-N 3.3Å
98	V	95.1	Very high	96.6	Very high	23 Å²	23	42.1 Å²	42.1	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-44.6	-34.4	-178	-176.8	0	0	0	0	114.9	T96 A100 Y101 Y102 V124 V127	T96-V98 VanDerWaalsContact C-N 3.33Å; T96-V98 WeakPolarHBondContact O-CG2 2.95Å; T96-V98 PolarHBondContact O-N 2.98Å; V98-A100 VanDerWaalsContact C-N 3.27Å; V98-A100 PolarHBondContact O-N 2.83Å; V98-Y101 PolarHBondContact O-N 3.08Å; V98-Y102 PolarHBondContact O-N 2.88Å; V98-Y102 VanDerWaalsContact O-N 3.14Å; V98-V124 HydrophobicContact CG1-CB 4.07Å; V98-V124 HydrophobicContact CG1-CG1 3.75Å; V98-V124 HydrophobicContact CG1-CG2 3.91Å; V98-V127 HydrophobicContact CG2-CB 3.77Å; V98-V127 HydrophobicContact CG2-CG1 3.8Å; V98-V127 HydrophobicContact CG2-CG2 3.72Å
99	K	95.6	Very high	96.3	Very high	82 Å²	82	40.2 Å²	40.2	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-33.5	-178.8	-164.9	-164.3	-68	168.6	0	111.7	Y97 Y102 R103	Y97-K99 HydrophobicContact CD1-CB 4.2Å; Y97-K99 HydrophobicContact CE1-CB 3.65Å; Y97-K99 HydrophobicContact CE1-CD 4.35Å; Y97-K99 PolarHBondContact O-N 2.8Å; Y97-K99 WeakPolarHBondContact OH-CE 3.39Å; Y97-K99 PolarHBondContact OH-NZ 3.34Å; K99-Y102 WeakPolarHBondContact O-CB 3.33Å; K99-Y102 PolarHBondContact O-N 3.27Å; K99-R103 WeakPolarHBondContact O-CG 3.26Å; K99-R103 PolarHBondContact O-N 3.4Å
100	A	97.3	Very high	95.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.4	-39.8	177.6	0	0	0	0	0	112.2	A90 I91 Y97 V98 Y102 R103 R104	A90-A100 HydrophobicContact CB-CB 3.71Å; I91-A100 HydrophobicContact CD1-CB 4.24Å; I91-A100 HydrophobicContact CG1-CB 3.64Å; Y97-A100 HydrophobicContact CD1-CB 3.92Å; Y97-A100 PolarHBondContact O-N 3.3Å; V98-A100 VanDerWaalsContact C-N 3.27Å; V98-A100 PolarHBondContact O-N 2.83Å; A100-Y102 VanDerWaalsContact C-N 3.3Å; A100-Y102 PolarHBondContact O-N 3.25Å; A100-R103 PolarHBondContact O-N 3.06Å; A100-R103 VanDerWaalsContact O-N 3.16Å; A100-R104 PolarHBondContact O-N 2.75Å
101	Y	98	Very high	95.2	Very high	43 Å²	43	38.2 Å²	38.2	17%	0.169	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-44.2	170.2	-70.1	-95	0	0	0	111.4	I91 D95 V98 R103 R104 A105 D120 A123	I91-Y101 HydrophobicContact CB-CE2 4.46Å; I91-Y101 HydrophobicContact CD1-CD1 3.97Å; I91-Y101 HydrophobicContact CD1-CD2 3.92Å; I91-Y101 HydrophobicContact CD1-CE1 4.06Å; I91-Y101 HydrophobicContact CD1-CE2 3.98Å; I91-Y101 HydrophobicContact CD1-CG 3.9Å; I91-Y101 HydrophobicContact CG1-CD2 3.91Å; I91-Y101 HydrophobicContact CG1-CE2 3.73Å; I91-Y101 HydrophobicContact CG1-CG 4.41Å; I91-Y101 HydrophobicContact CG2-CE1 4.42Å; I91-Y101 HydrophobicContact CG2-CE2 3.99Å; I91-Y101 WeakPolarHBondContact CG2-OH 3.35Å; D95-Y101 VanDerWaalsContact O-CE2 3.29Å; D95-Y101 WeakPolarHBondContact O-CE2 3.37Å; D95-Y101 PolarHBondContact O-OH 3.16Å; V98-Y101 PolarHBondContact O-N 3.08Å; Y101-R103 PolarHBondContact O-N 3.18Å; Y101-R104 PolarHBondContact O-N 2.93Å; Y101-A105 VanDerWaalsContact O-CB 3.29Å; Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 2.87Å; Y101-D120 HydrophobicContact CD1-CB 4.49Å; Y101-D120 WeakPolarHBondContact CD1-OD1 3.34Å; Y101-A123 HydrophobicContact CD1-CB 3.72Å; Y101-A123 HydrophobicContact CE1-CB 4.07Å; Y101-A123 HydrophobicContact CG-CB 4.24Å
102	Y	96.3	Very high	94.7	Very high	37 Å²	37	38.1 Å²	38.1	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-60.4	-41.8	175.7	178.7	-85.3	0	0	0	112.9	V98 K99 A100 T106 F121 D133 V134 K137 A513	V98-Y102 PolarHBondContact O-N 2.88Å; V98-Y102 VanDerWaalsContact O-N 3.14Å; K99-Y102 WeakPolarHBondContact O-CB 3.33Å; K99-Y102 PolarHBondContact O-N 3.27Å; A100-Y102 VanDerWaalsContact C-N 3.3Å; A100-Y102 PolarHBondContact O-N 3.25Å; Y102-T106 WeakPolarHBondContact O-CB 3.45Å; Y102-T106 PolarHBondContact O-N 2.94Å; Y102-T106 PolarHBondContact O-OG1 3.19Å; Y102-F121 HydrophobicContact CD2-CE1 4.29Å; Y102-F121 HydrophobicContact CE2-CE1 4.4Å; Y102-D133 WeakPolarHBondContact CE2-OD2 3.37Å; Y102-D133 PolarHBondContact OH-OD2 3.35Å; Y102-V134 HydrophobicContact CD2-CG2 3.88Å; Y102-V134 HydrophobicContact CE2-CG2 4.01Å; Y102-K137 HydrophobicContact CE2-CD 4.18Å; Y102-K137 VanDerWaalsContact OH-CE 3.27Å; Y102-K137 WeakPolarHBondContact OH-CE 3.26Å; Y102-K137 PolarHBondContact OH-NZ 3.25Å; Y102-A513 WeakPolarHBondContact OH-CB 3.32Å
103	R	96	Very high	94.3	Very high	37 Å²	37	38.4 Å²	38.4	14%	0.14	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-47.7	174.8	-60.8	-52.8	175.1	-140	-0.5	111.2	C68 S71 I75 A87 K99 A100 Y101 A105 T106 A107	C68-R103 VanDerWaalsContact SG-CG 3.59Å; S71-R103 WeakPolarHBondContact OG-CB 3.33Å; I75-R103 HydrophobicContact CD1-CB 4.09Å; I75-R103 WeakPolarHBondContact CD1-O 3.24Å; A87-R103 HydrophobicContact CB-CB 4.1Å; K99-R103 WeakPolarHBondContact O-CG 3.26Å; K99-R103 PolarHBondContact O-N 3.4Å; A100-R103 PolarHBondContact O-N 3.06Å; A100-R103 VanDerWaalsContact O-N 3.16Å; Y101-R103 PolarHBondContact O-N 3.18Å; R103-A105 PolarHBondContact O-N 3.06Å; R103-T106 WeakPolarHBondContact O-CB 3.43Å; R103-T106 PolarHBondContact O-N 3.45Å; R103-T106 VanDerWaalsContact O-N 3.17Å; R103-A107 PolarHBondContact O-N 3.07Å
104	R	97.6	Very high	94	Very high	43 Å²	43	36.4 Å²	36.4	16%	0.162	18%	0.177	C	C	.	.	H	α-helix	trans	-62.4	-42.9	-179.6	-156.8	172.5	63.6	-168.3	-5.8	112.1	L84 A87 S88 I91 A100 Y101 T106 A107 Y108 D120	L84-R104 HydrophobicContact CD2-CB 4.41Å; L84-R104 HydrophobicContact CD2-CG 3.42Å; L84-R104 VanDerWaalsContact CD2-CG 3.42Å; L84-R104 WeakPolarHBondContact CD2-O 3.28Å; A87-R104 HydrophobicContact CB-CB 3.76Å; A87-R104 HydrophobicContact CB-CG 4.24Å; S88-R104 WeakPolarHBondContact OG-CD 3.45Å; S88-R104 PolarHBondContact OG-NH1 2.92Å; I91-R104 VanDerWaalsContact CD1-CZ 3.46Å; A100-R104 PolarHBondContact O-N 2.75Å; Y101-R104 PolarHBondContact O-N 2.93Å; R104-T106 VanDerWaalsContact C-N 3.35Å; R104-T106 PolarHBondContact O-N 3.33Å; R104-A107 PolarHBondContact O-N 2.83Å; R104-Y108 HydrophobicContact CG-CD2 4.05Å; R104-Y108 HydrophobicContact CG-CE2 3.64Å; R104-Y108 VanDerWaalsContact O-CD2 3.3Å; R104-Y108 WeakPolarHBondContact O-CD2 3.45Å; R104-Y108 PolarHBondContact O-N 2.81Å; R104-D120 WeakPolarHBondContact CB-OD2 3.33Å; R104-D120 WeakPolarHBondContact CG-OD2 3.39Å; R104-D120 IonicContact CZ-OD1 3.51Å; R104-D120 IonicContact CZ-OD2 3.63Å; R104-D120 IonicContact NE-OD1 3.46Å; R104-D120 PolarHBondContact NE-OD1 2.89Å; R104-D120 IonicContact NE-OD2 2.79Å; R104-D120 PolarHBondContact NE-OD2 2.8Å; R104-D120 IonicContact NH2-OD1 2.72Å; R104-D120 PolarHBondContact NH2-OD1 2.98Å; R104-D120 IonicContact NH2-OD2 3.6Å
105	A	96.4	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-43.6	173	0	0	0	0	0	112.5	Y101 R103 Y108 M109 A117 D120 F121	Y101-A105 VanDerWaalsContact O-CB 3.29Å; Y101-A105 WeakPolarHBondContact O-CB 3.44Å; Y101-A105 PolarHBondContact O-N 2.87Å; R103-A105 PolarHBondContact O-N 3.06Å; A105-Y108 PolarHBondContact O-N 3.17Å; A105-M109 VanDerWaalsContact O-CB 3.31Å; A105-M109 WeakPolarHBondContact O-CB 3.12Å; A105-M109 PolarHBondContact O-N 2.77Å; A105-A117 WeakPolarHBondContact O-CB 3.42Å; A105-D120 HydrophobicContact CB-CB 3.61Å; A105-F121 HydrophobicContact CB-CD1 3.47Å; A105-F121 VanDerWaalsContact CB-CD1 3.47Å; A105-F121 HydrophobicContact CB-CD2 4.01Å; A105-F121 HydrophobicContact CB-CE1 3.33Å; A105-F121 HydrophobicContact CB-CE2 3.86Å; A105-F121 HydrophobicContact CB-CG 3.81Å; A105-F121 HydrophobicContact CB-CZ 3.52Å
106	T	93.7	Very high	93.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-45.8	177.8	-57.7	0	0	0	0	111.1	I75 Y102 R103 R104 M109 A110 A513 M514	I75-T106 HydrophobicContact CD1-CG2 4.19Å; I75-T106 HydrophobicContact CG2-CG2 3.92Å; Y102-T106 WeakPolarHBondContact O-CB 3.45Å; Y102-T106 PolarHBondContact O-N 2.94Å; Y102-T106 PolarHBondContact O-OG1 3.19Å; R103-T106 WeakPolarHBondContact O-CB 3.43Å; R103-T106 PolarHBondContact O-N 3.45Å; R103-T106 VanDerWaalsContact O-N 3.17Å; R104-T106 VanDerWaalsContact C-N 3.35Å; R104-T106 PolarHBondContact O-N 3.33Å; T106-M109 PolarHBondContact O-N 3.46Å; T106-A110 PolarHBondContact O-N 3.43Å; T106-A513 HydrophobicContact CG2-CB 3.74Å; T106-M514 HydrophobicContact CG2-CE 3.83Å; T106-M514 HydrophobicContact CG2-CG 3.71Å; T106-M514 WeakPolarHBondContact O-CE 3.49Å
107	A	94.4	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.5	-41.7	176.2	0	0	0	0	0	112.2	I75 Y80 A83 L84 R103 R104 M109 A110 M111	I75-A107 HydrophobicContact CD1-CB 4.43Å; I75-A107 HydrophobicContact CG1-CB 4.23Å; Y80-A107 HydrophobicContact CD1-CB 4.31Å; A83-A107 HydrophobicContact CB-CB 4.01Å; L84-A107 HydrophobicContact CD2-CB 3.72Å; L84-A107 HydrophobicContact CG-CB 3.87Å; R103-A107 PolarHBondContact O-N 3.07Å; R104-A107 PolarHBondContact O-N 2.83Å; A107-M109 VanDerWaalsContact C-N 3.31Å; A107-M109 PolarHBondContact O-N 3.03Å; A107-A110 PolarHBondContact O-N 3Å; A107-M111 VanDerWaalsContact O-CG 3.28Å; A107-M111 WeakPolarHBondContact O-CG 3.45Å; A107-M111 PolarHBondContact O-N 3.14Å
108	Y	94.8	Very high	93.8	Very high	42 Å²	42	35.3 Å²	35.3	17%	0.165	16%	0.162	C	C	.	.	H	α-helix	trans	-61.6	-37.5	172.9	-77.4	-46.6	0	0	0	112.9	L84 R104 A105 M111 G112 K113 L116 D120	L84-Y108 HydrophobicContact CD1-CD1 3.74Å; L84-Y108 HydrophobicContact CD1-CE1 3.52Å; L84-Y108 HydrophobicContact CD2-CD1 3.57Å; L84-Y108 HydrophobicContact CD2-CD2 3.86Å; L84-Y108 HydrophobicContact CD2-CE1 3.56Å; L84-Y108 HydrophobicContact CD2-CE2 3.86Å; L84-Y108 HydrophobicContact CD2-CG 3.71Å; L84-Y108 HydrophobicContact CG-CD1 4.33Å; L84-Y108 HydrophobicContact CG-CE1 4.2Å; R104-Y108 HydrophobicContact CG-CD2 4.05Å; R104-Y108 HydrophobicContact CG-CE2 3.64Å; R104-Y108 VanDerWaalsContact O-CD2 3.3Å; R104-Y108 WeakPolarHBondContact O-CD2 3.45Å; R104-Y108 PolarHBondContact O-N 2.81Å; A105-Y108 PolarHBondContact O-N 3.17Å; Y108-M111 PolarHBondContact O-N 3.22Å; Y108-G112 PolarHBondContact O-N 3.45Å; Y108-K113 HydrophobicContact CD1-CB 3.94Å; Y108-K113 HydrophobicContact CD1-CD 4.01Å; Y108-K113 HydrophobicContact CE1-CD 4.39Å; Y108-K113 HydrophobicContact CG-CB 4.45Å; Y108-K113 WeakPolarHBondContact O-CA 3.47Å; Y108-K113 WeakPolarHBondContact O-CB 3.47Å; Y108-K113 PolarHBondContact O-N 2.81Å; Y108-L116 HydrophobicContact CD1-CB 3.86Å; Y108-L116 HydrophobicContact CD1-CD1 3.9Å; Y108-L116 HydrophobicContact CD2-CB 3.6Å; Y108-L116 HydrophobicContact CE1-CB 4.01Å; Y108-L116 HydrophobicContact CE1-CD1 3.49Å; Y108-L116 VanDerWaalsContact CE1-CD1 3.49Å; Y108-L116 HydrophobicContact CE1-CG 4.38Å; Y108-L116 HydrophobicContact CE2-CB 3.73Å; Y108-L116 HydrophobicContact CE2-CD1 4.48Å; Y108-L116 HydrophobicContact CG-CB 3.67Å; Y108-D120 WeakPolarHBondContact CE2-OD2 3.27Å
109	M	91.4	Very high	93.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.1	-40.7	177.2	-175.7	176.1	-171.5	0	0	111.6	A105 T106 A107 M111 G112 F114 A117 F121 K137 E140 C141 V510 F511 M514	A105-M109 VanDerWaalsContact O-CB 3.31Å; A105-M109 WeakPolarHBondContact O-CB 3.12Å; A105-M109 PolarHBondContact O-N 2.77Å; T106-M109 PolarHBondContact O-N 3.46Å; A107-M109 VanDerWaalsContact C-N 3.31Å; A107-M109 PolarHBondContact O-N 3.03Å; M109-M111 VanDerWaalsContact C-N 3.34Å; M109-G112 PolarHBondContact O-N 3.39Å; M109-F114 HydrophobicContact CG-CD1 4.48Å; M109-F114 HydrophobicContact CG-CE1 4.38Å; M109-A117 HydrophobicContact CB-CB 4.08Å; M109-F121 HydrophobicContact SD-CE2 4.05Å; M109-F121 HydrophobicContact SD-CZ 4.22Å; M109-K137 HydrophobicContact SD-CB 4.15Å; M109-K137 HydrophobicContact SD-CG 4.22Å; M109-E140 HydrophobicContact CE-CB 4Å; M109-E140 HydrophobicContact CE-CG 3.77Å; M109-C141 VanDerWaalsContact CG-SG 3.5Å; M109-V510 HydrophobicContact CE-CG1 3.69Å; M109-F511 HydrophobicContact CE-CD1 3.98Å; M109-F511 HydrophobicContact CE-CE1 3.51Å; M109-F511 HydrophobicContact CE-CZ 3.99Å; M109-F511 HydrophobicContact CG-CD1 4.49Å; M109-F511 HydrophobicContact CG-CE1 4.13Å; M109-F511 HydrophobicContact SD-CE1 4.39Å; M109-M514 HydrophobicContact CB-CE 3.76Å; M109-M514 HydrophobicContact CG-CE 3.66Å; M109-M514 HydrophobicContact SD-CE 3.7Å
110	A	87.3	Confident	94	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-60	-43.7	173.2	0	0	0	0	0	111.7	Y80 T106 A107 G112 M329 M514	Y80-A110 HydrophobicContact CD1-CB 3.78Å; Y80-A110 HydrophobicContact CD2-CB 4Å; Y80-A110 HydrophobicContact CE1-CB 3.51Å; Y80-A110 HydrophobicContact CE2-CB 3.73Å; Y80-A110 HydrophobicContact CG-CB 4.03Å; Y80-A110 VanDerWaalsContact CZ-CB 3.49Å; T106-A110 PolarHBondContact O-N 3.43Å; A107-A110 PolarHBondContact O-N 3Å; A110-G112 PolarHBondContact O-N 3.21Å; A110-G112 VanDerWaalsContact O-N 3.14Å; A110-M329 HydrophobicContact CB-SD 4.36Å; A110-M514 HydrophobicContact CB-CG 4.24Å; A110-M514 HydrophobicContact CB-SD 3.67Å
111	M	87.6	Confident	94	Very high	29 Å²	29	33.4 Å²	33.4	14%	0.143	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	8.6	176.7	-62.1	-178.2	78	0	0	114.9	Y80 L84 A107 Y108 M109 K113 G418	Y80-M111 HydrophobicContact CD2-CG 4.18Å; Y80-M111 HydrophobicContact CG-CG 4.13Å; L84-M111 HydrophobicContact CD1-SD 3.48Å; L84-M111 WeakPolarHBondContact CD1-SD 3.33Å; L84-M111 HydrophobicContact CG-SD 4.42Å; A107-M111 VanDerWaalsContact O-CG 3.28Å; A107-M111 WeakPolarHBondContact O-CG 3.45Å; A107-M111 PolarHBondContact O-N 3.14Å; Y108-M111 PolarHBondContact O-N 3.22Å; M109-M111 VanDerWaalsContact C-N 3.34Å; M111-K113 HydrophobicContact CB-CD 4.16Å; M111-K113 HydrophobicContact CB-CG 4.16Å; M111-K113 HydrophobicContact CE-CD 4.32Å; M111-K113 VanDerWaalsContact CE-NZ 3.28Å; M111-K113 PolarHBondContact O-N 3.43Å; M111-K113 HydrophobicContact SD-CD 4.37Å; M111-G418 VanDerWaalsContact CE-C 3.42Å; M111-G418 VanDerWaalsContact CE-CA 3.43Å; M111-G418 WeakPolarHBondContact CE-O 3.31Å
112	G	86	Confident	94	Very high	16 Å²	16	34 Å²	34	17%	0.165	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	8.5	-176.2	0	0	0	0	0	115.2	Y108 M109 A110 F114	Y108-G112 PolarHBondContact O-N 3.45Å; M109-G112 PolarHBondContact O-N 3.39Å; A110-G112 PolarHBondContact O-N 3.21Å; A110-G112 VanDerWaalsContact O-N 3.14Å; G112-F114 VanDerWaalsContact O-CD2 3.25Å; G112-F114 WeakPolarHBondContact O-CD2 3.46Å; G112-F114 PolarHBondContact O-N 3.45Å
113	K	90.4	Very high	94	Very high	91 Å²	91	33.6 Å²	33.6	40%	0.396	17%	0.173	S	C	.	.			trans	-81.4	50.5	-179.2	-67.8	177.2	-179.5	174.6	0	111	Y108 M111 K115 L116 A117	Y108-K113 HydrophobicContact CD1-CB 3.94Å; Y108-K113 HydrophobicContact CD1-CD 4.01Å; Y108-K113 HydrophobicContact CE1-CD 4.39Å; Y108-K113 HydrophobicContact CG-CB 4.45Å; Y108-K113 WeakPolarHBondContact O-CA 3.47Å; Y108-K113 WeakPolarHBondContact O-CB 3.47Å; Y108-K113 PolarHBondContact O-N 2.81Å; M111-K113 HydrophobicContact CB-CD 4.16Å; M111-K113 HydrophobicContact CB-CG 4.16Å; M111-K113 HydrophobicContact CE-CD 4.32Å; M111-K113 VanDerWaalsContact CE-NZ 3.28Å; M111-K113 PolarHBondContact O-N 3.43Å; M111-K113 HydrophobicContact SD-CD 4.37Å; K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.08Å; K113-L116 HydrophobicContact CB-CD1 4.34Å; K113-L116 HydrophobicContact CD-CD1 4.45Å; K113-L116 PolarHBondContact O-N 3.29Å; K113-A117 PolarHBondContact O-N 2.88Å; K113-A117 VanDerWaalsContact O-N 3.14Å
114	F	91.7	Very high	94	Very high	16 Å²	16	32 Å²	32	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-53.6	-35.9	-168.2	-55.9	-57.1	0	0	0	114.4	M109 G112 L116 A117 L118 C141 L144 L325	M109-F114 HydrophobicContact CG-CD1 4.48Å; M109-F114 HydrophobicContact CG-CE1 4.38Å; G112-F114 VanDerWaalsContact O-CD2 3.25Å; G112-F114 WeakPolarHBondContact O-CD2 3.46Å; G112-F114 PolarHBondContact O-N 3.45Å; F114-L116 VanDerWaalsContact C-N 3.33Å; F114-L116 PolarHBondContact O-N 3.32Å; F114-A117 PolarHBondContact O-N 2.89Å; F114-L118 WeakPolarHBondContact O-CB 3.2Å; F114-L118 VanDerWaalsContact O-CG 3.23Å; F114-L118 WeakPolarHBondContact O-CG 3.43Å; F114-L118 PolarHBondContact O-N 2.92Å; F114-C141 HydrophobicContact CB-CB 4.35Å; F114-C141 HydrophobicContact CD1-CB 4.38Å; F114-L144 HydrophobicContact CD1-CB 4.32Å; F114-L144 HydrophobicContact CD1-CD1 4.4Å; F114-L144 HydrophobicContact CD2-CB 3.91Å; F114-L144 HydrophobicContact CE1-CB 4.1Å; F114-L144 HydrophobicContact CE1-CD1 3.64Å; F114-L144 HydrophobicContact CE2-CB 3.67Å; F114-L144 HydrophobicContact CE2-CD1 4.41Å; F114-L144 HydrophobicContact CG-CB 4.24Å; F114-L144 HydrophobicContact CZ-CB 3.78Å; F114-L144 HydrophobicContact CZ-CD1 3.64Å; F114-L144 HydrophobicContact CZ-CG 4.28Å; F114-L325 HydrophobicContact CZ-CD1 4.09Å
115	K	93.2	Very high	93.9	Very high	164 Å²	164	31.8 Å²	31.8	71%	0.713	17%	0.169	S	C	*	.	H	α-helix	trans	-62.1	-37.4	176.7	-69.4	-173.7	177.9	-177.6	0	113.3	K113 A119	K113-K115 VanDerWaalsContact C-N 3.27Å; K113-K115 PolarHBondContact O-N 2.81Å; K113-K115 VanDerWaalsContact O-N 3.08Å; K115-A119 PolarHBondContact O-N 3.04Å
116	L	95.6	Very high	93.9	Very high	85 Å²	85	40.1 Å²	40.1	45%	0.445	21%	0.205	S	C	.	.	H	α-helix	trans	-76.1	-39.3	176.8	-61.2	175.6	0	0	0	110.5	Y108 K113 F114 L118 A119 D120	Y108-L116 HydrophobicContact CD1-CB 3.86Å; Y108-L116 HydrophobicContact CD1-CD1 3.9Å; Y108-L116 HydrophobicContact CD2-CB 3.6Å; Y108-L116 HydrophobicContact CE1-CB 4.01Å; Y108-L116 HydrophobicContact CE1-CD1 3.49Å; Y108-L116 VanDerWaalsContact CE1-CD1 3.49Å; Y108-L116 HydrophobicContact CE1-CG 4.38Å; Y108-L116 HydrophobicContact CE2-CB 3.73Å; Y108-L116 HydrophobicContact CE2-CD1 4.48Å; Y108-L116 HydrophobicContact CG-CB 3.67Å; K113-L116 HydrophobicContact CB-CD1 4.34Å; K113-L116 HydrophobicContact CD-CD1 4.45Å; K113-L116 PolarHBondContact O-N 3.29Å; F114-L116 VanDerWaalsContact C-N 3.33Å; F114-L116 PolarHBondContact O-N 3.32Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.9Å; L116-A119 PolarHBondContact O-N 2.93Å; L116-D120 PolarHBondContact O-N 2.84Å
117	A	95.9	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.6	-42.1	172.9	0	0	0	0	0	112.4	A105 M109 K113 F114 D120 F121	A105-A117 WeakPolarHBondContact O-CB 3.42Å; M109-A117 HydrophobicContact CB-CB 4.08Å; K113-A117 PolarHBondContact O-N 2.88Å; K113-A117 VanDerWaalsContact O-N 3.14Å; F114-A117 PolarHBondContact O-N 2.89Å; A117-D120 PolarHBondContact O-N 3.21Å; A117-F121 HydrophobicContact CB-CD2 4.31Å; A117-F121 HydrophobicContact CB-CE2 4.07Å; A117-F121 WeakPolarHBondContact O-CB 3.13Å; A117-F121 WeakPolarHBondContact O-CD2 3.39Å; A117-F121 WeakPolarHBondContact O-CG 3.39Å; A117-F121 PolarHBondContact O-N 3.46Å
118	L	96.4	Very high	94	Very high	28 Å²	28	51.3 Å²	51.3	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-44.9	176.6	-74.3	170.4	0	0	0	112.5	F114 L116 D120 F121 D122 R138 C141 S142	F114-L118 WeakPolarHBondContact O-CB 3.2Å; F114-L118 VanDerWaalsContact O-CG 3.23Å; F114-L118 WeakPolarHBondContact O-CG 3.43Å; F114-L118 PolarHBondContact O-N 2.92Å; L116-L118 VanDerWaalsContact C-N 3.32Å; L116-L118 PolarHBondContact O-N 2.9Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-D120 PolarHBondContact O-N 2.93Å; L118-F121 PolarHBondContact O-N 3.46Å; L118-D122 WeakPolarHBondContact O-CB 2.97Å; L118-D122 PolarHBondContact O-N 3.09Å; L118-R138 HydrophobicContact CD2-CB 4.5Å; L118-R138 HydrophobicContact CD2-CG 3.61Å; L118-R138 VanDerWaalsContact CD2-O 3.25Å; L118-R138 WeakPolarHBondContact CD2-O 3.17Å; L118-C141 HydrophobicContact CD2-CB 3.61Å; L118-C141 HydrophobicContact CG-CB 3.84Å; L118-S142 VanDerWaalsContact CD2-OG 3.27Å; L118-S142 WeakPolarHBondContact CD2-OG 3.35Å
119	A	96.9	Very high	94	Very high	56 Å²	56	53.1 Å²	53.1	46%	0.463	27%	0.274	S	S	.	.	H	α-helix	trans	-62.3	-41	179.7	0	0	0	0	0	112.4	K115 L116 A123	K115-A119 PolarHBondContact O-N 3.04Å; L116-A119 PolarHBondContact O-N 2.93Å; A119-A123 PolarHBondContact O-N 3.07Å
120	D	97.7	Very high	94.1	Very high	10 Å²	10	60 Å²	60	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-72.8	-38.2	175.9	-75.6	-24.3	0	0	0	112.1	Y101 R104 A105 Y108 L116 A117 L118 A123 V124	Y101-D120 HydrophobicContact CD1-CB 4.49Å; Y101-D120 WeakPolarHBondContact CD1-OD1 3.34Å; R104-D120 WeakPolarHBondContact CB-OD2 3.33Å; R104-D120 WeakPolarHBondContact CG-OD2 3.39Å; R104-D120 IonicContact CZ-OD1 3.51Å; R104-D120 IonicContact CZ-OD2 3.63Å; R104-D120 IonicContact NE-OD1 3.46Å; R104-D120 PolarHBondContact NE-OD1 2.89Å; R104-D120 IonicContact NE-OD2 2.79Å; R104-D120 PolarHBondContact NE-OD2 2.8Å; R104-D120 IonicContact NH2-OD1 2.72Å; R104-D120 PolarHBondContact NH2-OD1 2.98Å; R104-D120 IonicContact NH2-OD2 3.6Å; A105-D120 HydrophobicContact CB-CB 3.61Å; Y108-D120 WeakPolarHBondContact CE2-OD2 3.27Å; L116-D120 PolarHBondContact O-N 2.84Å; A117-D120 PolarHBondContact O-N 3.21Å; L118-D120 VanDerWaalsContact C-N 3.35Å; L118-D120 PolarHBondContact O-N 2.93Å; D120-A123 WeakPolarHBondContact O-CB 3.44Å; D120-A123 PolarHBondContact O-N 2.92Å; D120-V124 WeakPolarHBondContact O-CG2 3.46Å; D120-V124 PolarHBondContact O-N 2.78Å; D120-V124 VanDerWaalsContact O-N 3.08Å
121	F	97.1	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-36	172.7	-70.9	-47.5	0	0	0	112.4	Y102 A105 M109 A117 L118 A123 V124 I125 V134 K137 R138	Y102-F121 HydrophobicContact CD2-CE1 4.29Å; Y102-F121 HydrophobicContact CE2-CE1 4.4Å; A105-F121 HydrophobicContact CB-CD1 3.47Å; A105-F121 VanDerWaalsContact CB-CD1 3.47Å; A105-F121 HydrophobicContact CB-CD2 4.01Å; A105-F121 HydrophobicContact CB-CE1 3.33Å; A105-F121 HydrophobicContact CB-CE2 3.86Å; A105-F121 HydrophobicContact CB-CG 3.81Å; A105-F121 HydrophobicContact CB-CZ 3.52Å; M109-F121 HydrophobicContact SD-CE2 4.05Å; M109-F121 HydrophobicContact SD-CZ 4.22Å; A117-F121 HydrophobicContact CB-CD2 4.31Å; A117-F121 HydrophobicContact CB-CE2 4.07Å; A117-F121 WeakPolarHBondContact O-CB 3.13Å; A117-F121 WeakPolarHBondContact O-CD2 3.39Å; A117-F121 WeakPolarHBondContact O-CG 3.39Å; A117-F121 PolarHBondContact O-N 3.46Å; L118-F121 PolarHBondContact O-N 3.46Å; F121-A123 VanDerWaalsContact C-N 3.3Å; F121-A123 PolarHBondContact O-N 2.84Å; F121-V124 PolarHBondContact O-N 2.9Å; F121-I125 WeakPolarHBondContact O-CG1 3.08Å; F121-I125 PolarHBondContact O-N 2.77Å; F121-V134 HydrophobicContact CB-CG1 4.25Å; F121-V134 HydrophobicContact CD1-CG1 3.93Å; F121-V134 HydrophobicContact CG-CG1 4.45Å; F121-K137 HydrophobicContact CD2-CB 4.41Å; F121-K137 HydrophobicContact CE1-CB 3.98Å; F121-K137 HydrophobicContact CE1-CD 3.99Å; F121-K137 HydrophobicContact CE2-CB 3.8Å; F121-K137 HydrophobicContact CZ-CB 3.57Å; F121-K137 HydrophobicContact CZ-CD 3.83Å; F121-K137 HydrophobicContact CZ-CG 4.24Å; F121-R138 HydrophobicContact CB-CB 4.04Å; F121-R138 HydrophobicContact CB-CG 4.21Å; F121-R138 HydrophobicContact CD2-CB 4.44Å; F121-R138 HydrophobicContact CG-CB 4.46Å
122	D	97	Very high	94.5	Very high	56 Å²	56	70.2 Å²	70.2	30%	0.299	35%	0.351	S	S	.	.	H	α-helix	trans	-60.6	-38.7	171.5	-82.9	-37.9	0	0	0	111.7	L118 K126 R138	L118-D122 WeakPolarHBondContact O-CB 2.97Å; L118-D122 PolarHBondContact O-N 3.09Å; D122-K126 VanDerWaalsContact O-CG 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.15Å; D122-K126 PolarHBondContact O-N 3.21Å; D122-K126 VanDerWaalsContact O-N 3.16Å; D122-R138 IonicContact OD1-CZ 3.31Å; D122-R138 IonicContact OD1-NE 3.46Å; D122-R138 PolarHBondContact OD1-NE 2.78Å; D122-R138 IonicContact OD1-NH2 2.79Å; D122-R138 PolarHBondContact OD1-NH2 3.09Å; D122-R138 IonicContact OD2-NH2 3.44Å; D122-R138 PolarHBondContact OD2-NH2 3.48Å
123	A	96.3	Very high	94.6	Very high	27 Å²	27	71.9 Å²	71.9	22%	0.223	36%	0.356	C	S	.	.	H	α-helix	trans	-64	-40.8	173.5	0	0	0	0	0	112	Y101 A119 D120 F121	Y101-A123 HydrophobicContact CD1-CB 3.72Å; Y101-A123 HydrophobicContact CE1-CB 4.07Å; Y101-A123 HydrophobicContact CG-CB 4.24Å; A119-A123 PolarHBondContact O-N 3.07Å; D120-A123 WeakPolarHBondContact O-CB 3.44Å; D120-A123 PolarHBondContact O-N 2.92Å; F121-A123 VanDerWaalsContact C-N 3.3Å; F121-A123 PolarHBondContact O-N 2.84Å
124	V	96.6	Very high	94.7	Very high	3 Å²	3	67.5 Å²	67.5	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-44.9	176.4	179.3	0	0	0	0	111.9	V98 D120 F121 K126 V127 R128 V134	V98-V124 HydrophobicContact CG1-CB 4.07Å; V98-V124 HydrophobicContact CG1-CG1 3.75Å; V98-V124 HydrophobicContact CG1-CG2 3.91Å; D120-V124 WeakPolarHBondContact O-CG2 3.46Å; D120-V124 PolarHBondContact O-N 2.78Å; D120-V124 VanDerWaalsContact O-N 3.08Å; F121-V124 PolarHBondContact O-N 2.9Å; V124-K126 VanDerWaalsContact C-N 3.32Å; V124-K126 PolarHBondContact O-N 3.31Å; V124-V127 PolarHBondContact O-N 2.89Å; V124-R128 PolarHBondContact O-N 3.32Å; V124-V134 HydrophobicContact CB-CG1 3.95Å; V124-V134 HydrophobicContact CG1-CB 4.31Å; V124-V134 HydrophobicContact CG1-CG1 3.79Å; V124-V134 HydrophobicContact CG1-CG2 3.64Å
125	I	96.2	Very high	94.7	Very high	40 Å²	40	69.1 Å²	69.1	21%	0.205	35%	0.346	C	S	.	.	H	α-helix	trans	-62.9	-35.9	179.8	-70.7	-175.7	0	0	0	111.9	F121 V127 R128 P129 V134 I135 R138	F121-I125 WeakPolarHBondContact O-CG1 3.08Å; F121-I125 PolarHBondContact O-N 2.77Å; I125-V127 PolarHBondContact O-N 3.19Å; I125-R128 CarbonylContact O-C 3.38Å; I125-R128 VanDerWaalsContact O-C 3.23Å; I125-R128 PolarHBondContact O-N 2.77Å; I125-P129 VanDerWaalsContact O-CA 3.25Å; I125-P129 WeakPolarHBondContact O-CA 3.47Å; I125-P129 WeakPolarHBondContact O-CD 3.14Å; I125-V134 HydrophobicContact CD1-CG1 4.22Å; I125-V134 HydrophobicContact CG1-CB 4.44Å; I125-V134 HydrophobicContact CG1-CG1 3.6Å; I125-I135 HydrophobicContact CD1-CG1 4.03Å; I125-R138 HydrophobicContact CD1-CB 4.45Å; I125-R138 VanDerWaalsContact CD1-CD 3.42Å
126	K	95.9	Very high	94.6	Very high	174 Å²	174	66 Å²	66	76%	0.757	33%	0.334	S	S	*	.	H	α-helix	trans	-56.3	-34	175.8	-76.3	168.9	-174	175.7	0	113.2	D122 V124	D122-K126 VanDerWaalsContact O-CG 3.31Å; D122-K126 WeakPolarHBondContact O-CG 3.15Å; D122-K126 PolarHBondContact O-N 3.21Å; D122-K126 VanDerWaalsContact O-N 3.16Å; V124-K126 VanDerWaalsContact C-N 3.32Å; V124-K126 PolarHBondContact O-N 3.31Å
127	V	95.4	Very high	94.4	Very high	96 Å²	96	62 Å²	62	58%	0.582	31%	0.312	S	S	*	.	H	α-helix	trans	-94.6	-29	178.1	-171.4	0	0	0	0	111.9	V98 V124 I125	V98-V127 HydrophobicContact CG2-CB 3.77Å; V98-V127 HydrophobicContact CG2-CG1 3.8Å; V98-V127 HydrophobicContact CG2-CG2 3.72Å; V124-V127 PolarHBondContact O-N 2.89Å; I125-V127 PolarHBondContact O-N 3.19Å
128	R	94.1	Very high	94.3	Very high	141 Å²	141	65.7 Å²	65.7	53%	0.532	33%	0.326	S	S	.	.			trans	-130	72.2	-178	-60.1	-175	173	-161	-3.1	111.7	V124 I125 N130 D131	V124-R128 PolarHBondContact O-N 3.32Å; I125-R128 CarbonylContact O-C 3.38Å; I125-R128 VanDerWaalsContact O-C 3.23Å; I125-R128 PolarHBondContact O-N 2.77Å; R128-N130 PolarHBondContact O-N 3.33Å; R128-N130 VanDerWaalsContact O-N 3.07Å; R128-D131 HydrophobicContact CB-CB 3.93Å; R128-D131 IonicContact NH1-OD2 3.78Å; R128-D131 WeakPolarHBondContact O-CB 3.2Å; R128-D131 PolarHBondContact O-N 2.9Å; R128-D131 VanDerWaalsContact O-N 3.17Å
129	P	94.3	Very high	94.1	Very high	79 Å²	79	70 Å²	70	51%	0.513	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.5	-172.2	26.3	-36	0	0	0	114.7	I125	I125-P129 VanDerWaalsContact O-CA 3.25Å; I125-P129 WeakPolarHBondContact O-CA 3.47Å; I125-P129 WeakPolarHBondContact O-CD 3.14Å
130	N	94.1	Very high	93.7	Very high	145 Å²	145	68.3 Å²	68.3	78%	0.775	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	8.8	-179.5	-63.3	-39.4	0	0	0	113.3	R128 R132	R128-N130 PolarHBondContact O-N 3.33Å; R128-N130 VanDerWaalsContact O-N 3.07Å; N130-R132 PolarHBondContact O-N 3.25Å
131	D	92.5	Very high	93.4	Very high	46 Å²	46	67.8 Å²	67.8	25%	0.246	33%	0.326	C	S	.	.			trans	-75.3	95.2	-179.6	-161	-38.3	0	0	0	110.6	R128 D133 V134 I135	R128-D131 HydrophobicContact CB-CB 3.93Å; R128-D131 IonicContact NH1-OD2 3.78Å; R128-D131 WeakPolarHBondContact O-CB 3.2Å; R128-D131 PolarHBondContact O-N 2.9Å; R128-D131 VanDerWaalsContact O-N 3.17Å; D131-D133 PolarHBondContact O-N 3.15Å; D131-D133 PolarHBondContact OD1-N 2.88Å; D131-V134 HydrophobicContact CB-CB 4.11Å; D131-V134 HydrophobicContact CB-CG2 3.84Å; D131-V134 VanDerWaalsContact CG-CG2 3.47Å; D131-V134 PolarHBondContact O-N 3.22Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 PolarHBondContact O-N 2.84Å
132	R	90.9	Very high	93.2	Very high	202 Å²	202	69.8 Å²	69.8	76%	0.762	34%	0.339	S	S	*	.	H	α-helix	trans	-58.5	-34.2	-172.9	-62.3	-174.4	-174.4	-177.7	2.2	113.2	N130 Q136	N130-R132 PolarHBondContact O-N 3.25Å; R132-Q136 WeakPolarHBondContact O-CB 3.17Å; R132-Q136 VanDerWaalsContact O-CG 3.28Å; R132-Q136 WeakPolarHBondContact O-CG 3.27Å; R132-Q136 PolarHBondContact O-N 3.02Å
133	D	89.2	Confident	92.9	Very high	50 Å²	50	72.8 Å²	72.8	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-67.3	-44	-179.6	180	85	0	0	0	111	Y102 D131 Q136 K137	Y102-D133 WeakPolarHBondContact CE2-OD2 3.37Å; Y102-D133 PolarHBondContact OH-OD2 3.35Å; D131-D133 PolarHBondContact O-N 3.15Å; D131-D133 PolarHBondContact OD1-N 2.88Å; D133-Q136 PolarHBondContact O-N 2.9Å; D133-K137 WeakPolarHBondContact O-CB 3.33Å; D133-K137 WeakPolarHBondContact O-CG 3.4Å; D133-K137 PolarHBondContact O-N 3.49Å; D133-K137 IonicContact OD1-NZ 2.71Å; D133-K137 PolarHBondContact OD1-NZ 2.93Å; D133-K137 WeakPolarHBondContact OD2-CD 3.24Å; D133-K137 WeakPolarHBondContact OD2-CE 3.4Å; D133-K137 IonicContact OD2-NZ 2.83Å; D133-K137 PolarHBondContact OD2-NZ 3.43Å
134	V	91.3	Very high	92.4	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-43.9	176.5	-177.4	0	0	0	0	111.2	Y102 F121 V124 I125 D131 K137 R138	Y102-V134 HydrophobicContact CD2-CG2 3.88Å; Y102-V134 HydrophobicContact CE2-CG2 4.01Å; F121-V134 HydrophobicContact CB-CG1 4.25Å; F121-V134 HydrophobicContact CD1-CG1 3.93Å; F121-V134 HydrophobicContact CG-CG1 4.45Å; V124-V134 HydrophobicContact CB-CG1 3.95Å; V124-V134 HydrophobicContact CG1-CB 4.31Å; V124-V134 HydrophobicContact CG1-CG1 3.79Å; V124-V134 HydrophobicContact CG1-CG2 3.64Å; I125-V134 HydrophobicContact CD1-CG1 4.22Å; I125-V134 HydrophobicContact CG1-CB 4.44Å; I125-V134 HydrophobicContact CG1-CG1 3.6Å; D131-V134 HydrophobicContact CB-CB 4.11Å; D131-V134 HydrophobicContact CB-CG2 3.84Å; D131-V134 VanDerWaalsContact CG-CG2 3.47Å; D131-V134 PolarHBondContact O-N 3.22Å; V134-K137 PolarHBondContact O-N 2.85Å; V134-R138 VanDerWaalsContact O-CB 3.31Å; V134-R138 WeakPolarHBondContact O-CB 3.25Å; V134-R138 PolarHBondContact O-N 3.06Å
135	I	93	Very high	92	Very high	50 Å²	50	73.2 Å²	73.2	26%	0.256	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-50.6	177.1	-66.8	163	0	0	0	110	I125 D131 K137 R138 E139	I125-I135 HydrophobicContact CD1-CG1 4.03Å; D131-I135 WeakPolarHBondContact O-CG1 3.42Å; D131-I135 PolarHBondContact O-N 2.84Å; I135-K137 PolarHBondContact O-N 2.85Å; I135-R138 PolarHBondContact O-N 2.76Å; I135-E139 HydrophobicContact CG2-CG 4.47Å; I135-E139 WeakPolarHBondContact O-CG 3.33Å; I135-E139 PolarHBondContact O-N 2.86Å
136	Q	90.8	Very high	91.6	Very high	99 Å²	99	79.2 Å²	79.2	46%	0.463	37%	0.367	S	S	.	.	H	α-helix	trans	-62.6	-43.2	179.5	-72.6	175.1	0	0	0	112.6	R132 D133 R138 E139 E140 V510	R132-Q136 WeakPolarHBondContact O-CB 3.17Å; R132-Q136 VanDerWaalsContact O-CG 3.28Å; R132-Q136 WeakPolarHBondContact O-CG 3.27Å; R132-Q136 PolarHBondContact O-N 3.02Å; D133-Q136 PolarHBondContact O-N 2.9Å; Q136-R138 VanDerWaalsContact C-N 3.33Å; Q136-R138 PolarHBondContact O-N 3.23Å; Q136-E139 PolarHBondContact O-N 3.49Å; Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 PolarHBondContact O-N 3.11Å; Q136-V510 HydrophobicContact CB-CG2 4.32Å
137	K	91.1	Very high	91	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-40.3	174.9	-76.2	176.9	171.8	65.2	0	112.6	Y102 M109 F121 D133 V134 I135 C141 V510	Y102-K137 HydrophobicContact CE2-CD 4.18Å; Y102-K137 VanDerWaalsContact OH-CE 3.27Å; Y102-K137 WeakPolarHBondContact OH-CE 3.26Å; Y102-K137 PolarHBondContact OH-NZ 3.25Å; M109-K137 HydrophobicContact SD-CB 4.15Å; M109-K137 HydrophobicContact SD-CG 4.22Å; F121-K137 HydrophobicContact CD2-CB 4.41Å; F121-K137 HydrophobicContact CE1-CB 3.98Å; F121-K137 HydrophobicContact CE1-CD 3.99Å; F121-K137 HydrophobicContact CE2-CB 3.8Å; F121-K137 HydrophobicContact CZ-CB 3.57Å; F121-K137 HydrophobicContact CZ-CD 3.83Å; F121-K137 HydrophobicContact CZ-CG 4.24Å; D133-K137 WeakPolarHBondContact O-CB 3.33Å; D133-K137 WeakPolarHBondContact O-CG 3.4Å; D133-K137 PolarHBondContact O-N 3.49Å; D133-K137 IonicContact OD1-NZ 2.71Å; D133-K137 PolarHBondContact OD1-NZ 2.93Å; D133-K137 WeakPolarHBondContact OD2-CD 3.24Å; D133-K137 WeakPolarHBondContact OD2-CE 3.4Å; D133-K137 IonicContact OD2-NZ 2.83Å; D133-K137 PolarHBondContact OD2-NZ 3.43Å; V134-K137 PolarHBondContact O-N 2.85Å; I135-K137 PolarHBondContact O-N 2.85Å; K137-C141 WeakPolarHBondContact O-CB 3.25Å; K137-C141 PolarHBondContact O-N 3.43Å; K137-C141 PolarHBondContact O-SG 2.75Å; K137-C141 VanDerWaalsContact O-SG 3.34Å; K137-V510 HydrophobicContact CB-CG1 4.16Å; K137-V510 WeakPolarHBondContact CE-O 3.43Å; K137-V510 HydrophobicContact CG-CG1 3.64Å; K137-V510 WeakPolarHBondContact CG-O 3.14Å; K137-V510 PolarHBondContact NZ-O 3.05Å
138	R	93.8	Very high	90.3	Very high	77 Å²	77	74.4 Å²	74.4	29%	0.291	34%	0.338	S	S	.	.	H	α-helix	trans	-68.3	-43.5	176.9	-172.9	-168.8	178.7	-72.2	-4.4	112.4	L118 F121 D122 I125 V134 I135 Q136 E140 C141 S142	L118-R138 HydrophobicContact CD2-CB 4.5Å; L118-R138 HydrophobicContact CD2-CG 3.61Å; L118-R138 VanDerWaalsContact CD2-O 3.25Å; L118-R138 WeakPolarHBondContact CD2-O 3.17Å; F121-R138 HydrophobicContact CB-CB 4.04Å; F121-R138 HydrophobicContact CB-CG 4.21Å; F121-R138 HydrophobicContact CD2-CB 4.44Å; F121-R138 HydrophobicContact CG-CB 4.46Å; D122-R138 IonicContact OD1-CZ 3.31Å; D122-R138 IonicContact OD1-NE 3.46Å; D122-R138 PolarHBondContact OD1-NE 2.78Å; D122-R138 IonicContact OD1-NH2 2.79Å; D122-R138 PolarHBondContact OD1-NH2 3.09Å; D122-R138 IonicContact OD2-NH2 3.44Å; D122-R138 PolarHBondContact OD2-NH2 3.48Å; I125-R138 HydrophobicContact CD1-CB 4.45Å; I125-R138 VanDerWaalsContact CD1-CD 3.42Å; V134-R138 VanDerWaalsContact O-CB 3.31Å; V134-R138 WeakPolarHBondContact O-CB 3.25Å; V134-R138 PolarHBondContact O-N 3.06Å; I135-R138 PolarHBondContact O-N 2.76Å; Q136-R138 VanDerWaalsContact C-N 3.33Å; Q136-R138 PolarHBondContact O-N 3.23Å; R138-E140 VanDerWaalsContact C-N 3.33Å; R138-C141 PolarHBondContact O-N 3.24Å; R138-S142 WeakPolarHBondContact O-CB 3.43Å; R138-S142 PolarHBondContact O-N 2.79Å; R138-S142 PolarHBondContact O-OG 2.96Å
139	E	92.4	Very high	89.8	Confident	119 Å²	119	70.4 Å²	70.4	56%	0.556	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-44.1	175.8	-74.8	174.7	170	0	0	110.9	I135 Q136 S142 R143	I135-E139 HydrophobicContact CG2-CG 4.47Å; I135-E139 WeakPolarHBondContact O-CG 3.33Å; I135-E139 PolarHBondContact O-N 2.86Å; Q136-E139 PolarHBondContact O-N 3.49Å; E139-S142 WeakPolarHBondContact O-CB 3.41Å; E139-S142 PolarHBondContact O-N 2.8Å; E139-R143 WeakPolarHBondContact O-CB 3.14Å; E139-R143 PolarHBondContact O-N 2.84Å
140	E	88.3	Confident	89.3	Confident	20 Å²	20	71 Å²	71	9%	0.093	33%	0.33	C	S	.	.	H	α-helix	trans	-65.6	-44.3	176.3	-177.8	64.3	176.5	0	0	112.5	M109 Q136 R138 S142 R143 L144 N508 V510 F511	M109-E140 HydrophobicContact CE-CB 4Å; M109-E140 HydrophobicContact CE-CG 3.77Å; Q136-E140 WeakPolarHBondContact O-CB 3.19Å; Q136-E140 PolarHBondContact O-N 3.11Å; R138-E140 VanDerWaalsContact C-N 3.33Å; E140-S142 VanDerWaalsContact C-N 3.26Å; E140-S142 PolarHBondContact O-N 3.03Å; E140-R143 VanDerWaalsContact CD-NH2 3.27Å; E140-R143 PolarHBondContact O-N 2.86Å; E140-R143 IonicContact OE1-CZ 3.72Å; E140-R143 IonicContact OE1-NE 2.75Å; E140-R143 IonicContact OE1-NH2 3.27Å; E140-R143 PolarHBondContact OE1-NH2 3.36Å; E140-R143 IonicContact OE2-CZ 2.76Å; E140-R143 IonicContact OE2-NE 3.45Å; E140-R143 PolarHBondContact OE2-NE 3.13Å; E140-R143 IonicContact OE2-NH2 2.79Å; E140-R143 PolarHBondContact OE2-NH2 3.02Å; E140-R143 VanDerWaalsContact OE2-NH2 3.11Å; E140-L144 HydrophobicContact CG-CD1 3.88Å; E140-L144 HydrophobicContact CG-CG 4.41Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; E140-L144 VanDerWaalsContact O-CG 3.32Å; E140-L144 WeakPolarHBondContact O-CG 3.26Å; E140-L144 PolarHBondContact O-N 3.48Å; E140-N508 PolarHBondContact OE1-ND2 3.44Å; E140-V510 HydrophobicContact CB-CG1 3.77Å; E140-V510 HydrophobicContact CG-CB 4.48Å; E140-V510 HydrophobicContact CG-CG1 4.03Å; E140-F511 HydrophobicContact CG-CE2 4.43Å; E140-F511 HydrophobicContact CG-CZ 4.13Å
141	C	91.3	Very high	88.6	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-39	171.5	-78.1	0	0	0	0	112.3	M109 F114 L118 K137 R138 S145	M109-C141 VanDerWaalsContact CG-SG 3.5Å; F114-C141 HydrophobicContact CB-CB 4.35Å; F114-C141 HydrophobicContact CD1-CB 4.38Å; L118-C141 HydrophobicContact CD2-CB 3.61Å; L118-C141 HydrophobicContact CG-CB 3.84Å; K137-C141 WeakPolarHBondContact O-CB 3.25Å; K137-C141 PolarHBondContact O-N 3.43Å; K137-C141 PolarHBondContact O-SG 2.75Å; K137-C141 VanDerWaalsContact O-SG 3.34Å; R138-C141 PolarHBondContact O-N 3.24Å; C141-S145 WeakPolarHBondContact O-CB 3.29Å; C141-S145 PolarHBondContact O-N 3.45Å
142	S	93.1	Very high	88	Confident	41 Å²	41	73.8 Å²	73.8	29%	0.287	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-46.7	176.9	-57.2	0	0	0	0	110.4	L118 R138 E139 E140 W146	L118-S142 VanDerWaalsContact CD2-OG 3.27Å; L118-S142 WeakPolarHBondContact CD2-OG 3.35Å; R138-S142 WeakPolarHBondContact O-CB 3.43Å; R138-S142 PolarHBondContact O-N 2.79Å; R138-S142 PolarHBondContact O-OG 2.96Å; E139-S142 WeakPolarHBondContact O-CB 3.41Å; E139-S142 PolarHBondContact O-N 2.8Å; E140-S142 VanDerWaalsContact C-N 3.26Å; E140-S142 PolarHBondContact O-N 3.03Å; S142-W146 VanDerWaalsContact O-CB 3.24Å; S142-W146 WeakPolarHBondContact O-CB 3.35Å; S142-W146 PolarHBondContact O-N 2.95Å
143	R	89.7	Confident	87.6	Confident	119 Å²	119	68 Å²	68	45%	0.449	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-45	178.5	-168.9	-169.8	68.9	78	-0.4	112.1	E139 E140 W146 K147	E139-R143 WeakPolarHBondContact O-CB 3.14Å; E139-R143 PolarHBondContact O-N 2.84Å; E140-R143 VanDerWaalsContact CD-NH2 3.27Å; E140-R143 PolarHBondContact O-N 2.86Å; E140-R143 IonicContact OE1-CZ 3.72Å; E140-R143 IonicContact OE1-NE 2.75Å; E140-R143 IonicContact OE1-NH2 3.27Å; E140-R143 PolarHBondContact OE1-NH2 3.36Å; E140-R143 IonicContact OE2-CZ 2.76Å; E140-R143 IonicContact OE2-NE 3.45Å; E140-R143 PolarHBondContact OE2-NE 3.13Å; E140-R143 IonicContact OE2-NH2 2.79Å; E140-R143 PolarHBondContact OE2-NH2 3.02Å; E140-R143 VanDerWaalsContact OE2-NH2 3.11Å; R143-W146 PolarHBondContact O-N 3.26Å; R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 PolarHBondContact O-N 2.78Å
144	L	86.3	Confident	86.9	Confident	16 Å²	16	69.4 Å²	69.4	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-70.6	-41.8	178.9	-68.7	170.7	0	0	0	112.1	F114 E140 W146 K147 K148 F511	F114-L144 HydrophobicContact CD1-CB 4.32Å; F114-L144 HydrophobicContact CD1-CD1 4.4Å; F114-L144 HydrophobicContact CD2-CB 3.91Å; F114-L144 HydrophobicContact CE1-CB 4.1Å; F114-L144 HydrophobicContact CE1-CD1 3.64Å; F114-L144 HydrophobicContact CE2-CB 3.67Å; F114-L144 HydrophobicContact CE2-CD1 4.41Å; F114-L144 HydrophobicContact CG-CB 4.24Å; F114-L144 HydrophobicContact CZ-CB 3.78Å; F114-L144 HydrophobicContact CZ-CD1 3.64Å; F114-L144 HydrophobicContact CZ-CG 4.28Å; E140-L144 HydrophobicContact CG-CD1 3.88Å; E140-L144 HydrophobicContact CG-CG 4.41Å; E140-L144 WeakPolarHBondContact O-CB 3.41Å; E140-L144 VanDerWaalsContact O-CG 3.32Å; E140-L144 WeakPolarHBondContact O-CG 3.26Å; E140-L144 PolarHBondContact O-N 3.48Å; L144-W146 VanDerWaalsContact C-N 3.32Å; L144-W146 PolarHBondContact O-N 3.14Å; L144-K147 PolarHBondContact O-N 3.01Å; L144-K148 PolarHBondContact O-N 3.25Å; L144-F511 HydrophobicContact CD1-CZ 4.02Å
145	S	88	Confident	85.8	Confident	24 Å²	24	73.5 Å²	73.5	17%	0.168	37%	0.365	C	S	.	.	H	α-helix	trans	-63.9	-37.6	173.5	-173.1	0	0	0	0	112	C141 A149	C141-S145 WeakPolarHBondContact O-CB 3.29Å; C141-S145 PolarHBondContact O-N 3.45Å; S145-A149 VanDerWaalsContact O-CB 3.32Å; S145-A149 WeakPolarHBondContact O-CB 3.39Å; S145-A149 PolarHBondContact O-N 3.44Å
146	W	88.5	Confident	84	Confident	166 Å²	166	77.4 Å²	77.4	63%	0.629	39%	0.386	S	S	*	.	H	α-helix	trans	-68.6	-44.4	174.5	-177.7	86.9	0	0	0	111	S142 R143 L144 A149 F150	S142-W146 VanDerWaalsContact O-CB 3.24Å; S142-W146 WeakPolarHBondContact O-CB 3.35Å; S142-W146 PolarHBondContact O-N 2.95Å; R143-W146 PolarHBondContact O-N 3.26Å; L144-W146 VanDerWaalsContact C-N 3.32Å; L144-W146 PolarHBondContact O-N 3.14Å; W146-A149 PolarHBondContact O-N 2.94Å; W146-F150 HydrophobicContact CD2-CB 4.46Å; W146-F150 HydrophobicContact CE3-CB 4.45Å; W146-F150 HydrophobicContact CH2-CB 4.36Å; W146-F150 HydrophobicContact CH2-CD1 4.42Å; W146-F150 HydrophobicContact CH2-CD2 4Å; W146-F150 HydrophobicContact CH2-CE2 4.41Å; W146-F150 HydrophobicContact CH2-CG 4.01Å; W146-F150 HydrophobicContact CZ2-CB 4.36Å; W146-F150 AromaticContact CZ2-CD2 3.83Å; W146-F150 HydrophobicContact CZ2-CD2 3.83Å; W146-F150 HydrophobicContact CZ2-CE2 4.38Å; W146-F150 HydrophobicContact CZ2-CG 4.16Å; W146-F150 HydrophobicContact CZ3-CB 4.41Å; W146-F150 HydrophobicContact CZ3-CG 4.4Å; W146-F150 VanDerWaalsContact O-CB 3.28Å; W146-F150 WeakPolarHBondContact O-CB 3.11Å; W146-F150 PolarHBondContact O-N 3.38Å
147	K	82.8	Confident	82.4	Confident	56 Å²	56	80.9 Å²	80.9	24%	0.243	41%	0.407	C	S	.	.	H	α-helix	trans	-56.1	-55	175.6	-170	-169.1	162.6	-170.5	0	111.2	R143 L144 A149 F150 E151 E324	R143-K147 WeakPolarHBondContact O-CB 3.28Å; R143-K147 PolarHBondContact O-N 2.78Å; L144-K147 PolarHBondContact O-N 3.01Å; K147-A149 VanDerWaalsContact C-N 3.25Å; K147-A149 PolarHBondContact O-N 3.42Å; K147-F150 PolarHBondContact O-N 2.88Å; K147-F150 VanDerWaalsContact O-N 3.15Å; K147-E151 WeakPolarHBondContact CE-OE1 3.24Å; K147-E151 WeakPolarHBondContact CE-OE2 3.18Å; K147-E151 HydrophobicContact CG-CG 4.4Å; K147-E151 IonicContact NZ-OE1 3.41Å; K147-E151 PolarHBondContact NZ-OE1 3.01Å; K147-E151 IonicContact NZ-OE2 3.9Å; K147-E151 WeakPolarHBondContact O-CB 3.39Å; K147-E151 WeakPolarHBondContact O-CG 3.25Å; K147-E151 PolarHBondContact O-N 3.22Å; K147-E324 IonicContact NZ-OE1 3.2Å; K147-E324 PolarHBondContact NZ-OE1 3.36Å
148	K	80.4	Confident	80.5	Confident	112 Å²	112	86 Å²	86	49%	0.487	44%	0.439	S	S	.	.	H	α-helix	trans	-59.8	-33.3	179.5	-171.2	168.5	-179.8	172.4	0	112.1	L144 K152 D394	L144-K148 PolarHBondContact O-N 3.25Å; K148-K152 WeakPolarHBondContact O-CB 3.48Å; K148-K152 PolarHBondContact O-N 3.31Å; K148-D394 IonicContact NZ-OD1 2.69Å; K148-D394 IonicContact NZ-OD2 3.78Å; K148-D394 PolarHBondContact NZ-OD2 2.94Å
149	A	84.7	Confident	78.7	Confident	58 Å²	58	91.8 Å²	91.8	48%	0.479	47%	0.466	S	S	.	.	H	α-helix	trans	-76.4	-39.8	175.8	0	0	0	0	0	113.2	S145 W146 K147 A153	S145-A149 VanDerWaalsContact O-CB 3.32Å; S145-A149 WeakPolarHBondContact O-CB 3.39Å; S145-A149 PolarHBondContact O-N 3.44Å; W146-A149 PolarHBondContact O-N 2.94Å; K147-A149 VanDerWaalsContact C-N 3.25Å; K147-A149 PolarHBondContact O-N 3.42Å; A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 2.78Å; A149-A153 VanDerWaalsContact O-N 3.1Å
150	F	83.9	Confident	77.2	Confident	92 Å²	92	93.7 Å²	93.7	40%	0.404	48%	0.475	S	S	.	.	H	α-helix	trans	-66.7	-47.7	177.7	-178.1	-97.8	0	0	0	110.8	W146 K147 K152 A153 I154	W146-F150 HydrophobicContact CD2-CB 4.46Å; W146-F150 HydrophobicContact CE3-CB 4.45Å; W146-F150 HydrophobicContact CH2-CB 4.36Å; W146-F150 HydrophobicContact CH2-CD1 4.42Å; W146-F150 HydrophobicContact CH2-CD2 4Å; W146-F150 HydrophobicContact CH2-CE2 4.41Å; W146-F150 HydrophobicContact CH2-CG 4.01Å; W146-F150 HydrophobicContact CZ2-CB 4.36Å; W146-F150 AromaticContact CZ2-CD2 3.83Å; W146-F150 HydrophobicContact CZ2-CD2 3.83Å; W146-F150 HydrophobicContact CZ2-CE2 4.38Å; W146-F150 HydrophobicContact CZ2-CG 4.16Å; W146-F150 HydrophobicContact CZ3-CB 4.41Å; W146-F150 HydrophobicContact CZ3-CG 4.4Å; W146-F150 VanDerWaalsContact O-CB 3.28Å; W146-F150 WeakPolarHBondContact O-CB 3.11Å; W146-F150 PolarHBondContact O-N 3.38Å; K147-F150 PolarHBondContact O-N 2.88Å; K147-F150 VanDerWaalsContact O-N 3.15Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 2.99Å; F150-A153 CarbonylContact O-C 3.59Å; F150-A153 WeakPolarHBondContact O-CA 3.31Å; F150-A153 WeakPolarHBondContact O-CB 3.34Å; F150-A153 PolarHBondContact O-N 2.92Å; F150-I154 HydrophobicContact CD1-CD1 4.14Å; F150-I154 HydrophobicContact CD1-CG1 4.13Å; F150-I154 HydrophobicContact CD1-CG2 4.28Å; F150-I154 HydrophobicContact CD2-CG2 4.39Å; F150-I154 HydrophobicContact CE1-CD1 3.69Å; F150-I154 HydrophobicContact CE1-CG1 4.03Å; F150-I154 HydrophobicContact CE1-CG2 3.84Å; F150-I154 HydrophobicContact CE2-CG2 3.95Å; F150-I154 HydrophobicContact CZ-CD1 4.49Å; F150-I154 HydrophobicContact CZ-CG2 3.65Å; F150-I154 WeakPolarHBondContact O-CG1 3.18Å; F150-I154 PolarHBondContact O-N 2.78Å
151	E	79.1	Confident	76.1	Confident	76 Å²	76	100 Å²	100	36%	0.355	50%	0.502	S	S	.	.	H	α-helix	trans	-57.1	-42.9	175.8	-73.3	174.4	140.2	0	0	112	K147 A153 I154 S155	K147-E151 WeakPolarHBondContact CE-OE1 3.24Å; K147-E151 WeakPolarHBondContact CE-OE2 3.18Å; K147-E151 HydrophobicContact CG-CG 4.4Å; K147-E151 IonicContact NZ-OE1 3.41Å; K147-E151 PolarHBondContact NZ-OE1 3.01Å; K147-E151 IonicContact NZ-OE2 3.9Å; K147-E151 WeakPolarHBondContact O-CB 3.39Å; K147-E151 WeakPolarHBondContact O-CG 3.25Å; K147-E151 PolarHBondContact O-N 3.22Å; E151-A153 VanDerWaalsContact C-N 3.25Å; E151-A153 PolarHBondContact O-N 3.14Å; E151-I154 PolarHBondContact O-N 3.28Å; E151-S155 WeakPolarHBondContact O-CB 3.31Å; E151-S155 PolarHBondContact O-N 2.98Å
152	K	79.6	Confident	75.3	Confident	173 Å²	173	100.9 Å²	100.9	75%	0.752	51%	0.508	S	S	*	.	H	α-helix	trans	-66.4	-23.4	173.7	-175.4	171.5	-178.6	174.3	0	113.9	K148 F150 S155	K148-K152 WeakPolarHBondContact O-CB 3.48Å; K148-K152 PolarHBondContact O-N 3.31Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 2.99Å; K152-S155 PolarHBondContact O-OG 2.97Å; K152-S155 VanDerWaalsContact O-OG 3.13Å
153	A	81.8	Confident	74.4	Confident	79 Å²	79	100 Å²	100	65%	0.653	50%	0.501	S	S	*	.	H	α-helix	trans	-87.3	-31.4	176.4	0	0	0	0	0	112.6	A149 F150 E151	A149-A153 WeakPolarHBondContact O-CB 3.26Å; A149-A153 PolarHBondContact O-N 2.78Å; A149-A153 VanDerWaalsContact O-N 3.1Å; F150-A153 CarbonylContact O-C 3.59Å; F150-A153 WeakPolarHBondContact O-CA 3.31Å; F150-A153 WeakPolarHBondContact O-CB 3.34Å; F150-A153 PolarHBondContact O-N 2.92Å; E151-A153 VanDerWaalsContact C-N 3.25Å; E151-A153 PolarHBondContact O-N 3.14Å
154	I	75.9	Confident	73.6	Confident	80 Å²	80	94.6 Å²	94.6	41%	0.41	48%	0.481	S	S	.	.	H	α-helix	trans	-93.8	-0.2	176.6	67.8	150.5	0	0	0	113.8	F150 E151 L156	F150-I154 HydrophobicContact CD1-CD1 4.14Å; F150-I154 HydrophobicContact CD1-CG1 4.13Å; F150-I154 HydrophobicContact CD1-CG2 4.28Å; F150-I154 HydrophobicContact CD2-CG2 4.39Å; F150-I154 HydrophobicContact CE1-CD1 3.69Å; F150-I154 HydrophobicContact CE1-CG1 4.03Å; F150-I154 HydrophobicContact CE1-CG2 3.84Å; F150-I154 HydrophobicContact CE2-CG2 3.95Å; F150-I154 HydrophobicContact CZ-CD1 4.49Å; F150-I154 HydrophobicContact CZ-CG2 3.65Å; F150-I154 WeakPolarHBondContact O-CG1 3.18Å; F150-I154 PolarHBondContact O-N 2.78Å; E151-I154 PolarHBondContact O-N 3.28Å; I154-L156 PolarHBondContact O-N 2.9Å
155	S	68.2	Low	72.9	Confident	87 Å²	87	98.8 Å²	98.8	61%	0.608	50%	0.503	S	S	*	.			trans	-71.9	60.7	170.2	67.4	0	0	0	0	111.3	E151 K152	E151-S155 WeakPolarHBondContact O-CB 3.31Å; E151-S155 PolarHBondContact O-N 2.98Å; K152-S155 PolarHBondContact O-OG 2.97Å; K152-S155 VanDerWaalsContact O-OG 3.13Å
156	L	55.2	Low	71.9	Confident	131 Å²	131	102.3 Å²	102.3	69%	0.686	52%	0.52	S	S	*	.	S	Bend	trans	-66.3	156	150.1	-61.4	167.6	0	0	0	107.6	I154 V158	I154-L156 PolarHBondContact O-N 2.9Å; L156-V158 HydrophobicContact CB-CG2 4.1Å; L156-V158 PolarHBondContact O-N 2.78Å
157	D	56.5	Low	70.6	Confident	172 Å²	172	95.8 Å²	95.8	92%	0.92	50%	0.497	S	S	*	.	S	Bend	trans	-67.1	21.4	177.5	-65.4	-52.2	0	0	0	114.6	K159	D157-K159 VanDerWaalsContact C-N 3.33Å; D157-K159 PolarHBondContact O-N 3.12Å
158	V	50.9	Low	69.7	Low	109 Å²	109	98.4 Å²	98.4	66%	0.661	51%	0.514	S	S	*	.			trans	-66.3	95.7	165.4	-175.2	0	0	0	0	107.2	L156 Q160	L156-V158 HydrophobicContact CB-CG2 4.1Å; L156-V158 PolarHBondContact O-N 2.78Å; V158-Q160 PolarHBondContact O-N 2.76Å
159	K	55.6	Low	68.7	Low	197 Å²	197	93 Å²	93	86%	0.857	49%	0.49	S	S	*	.			trans	-47.5	107.7	164.6	-73.6	-174.7	175.8	-176.2	0	107.9	D157 K161	D157-K159 VanDerWaalsContact C-N 3.33Å; D157-K159 PolarHBondContact O-N 3.12Å; K159-K161 PolarHBondContact O-N 3.11Å
160	Q	61.6	Low	67.5	Low	160 Å²	160	95.3 Å²	95.3	75%	0.748	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-56.8	132.4	169.6	-67.9	-173	2.6	0	0	106.6	V158 S162	V158-Q160 PolarHBondContact O-N 2.76Å; Q160-S162 PolarHBondContact O-N 2.88Å
161	K	65.3	Low	66.6	Low	153 Å²	153	94.2 Å²	94.2	67%	0.665	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-55.9	132.5	170.8	-73	-173	175.5	-174.1	0	106.8	K159 D165 L166	K159-K161 PolarHBondContact O-N 3.11Å; K161-D165 HydrophobicContact CB-CB 4.44Å; K161-L166 HydrophobicContact CB-CD2 4.01Å; K161-L166 HydrophobicContact CB-CG 4.31Å; K161-L166 HydrophobicContact CD-CD2 3.87Å
162	S	74.9	Confident	66.2	Low	18 Å²	18	92.4 Å²	92.4	13%	0.126	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-59	144.7	-178.9	-170.7	0	0	0	0	108.3	Q160 F164 D165	Q160-S162 PolarHBondContact O-N 2.88Å; S162-F164 CarbonylContact O-C 3.55Å; S162-F164 PolarHBondContact O-N 3.33Å; S162-F164 WeakPolarHBondContact OG-CD2 3.13Å; S162-D165 VanDerWaalsContact CB-OD2 3.3Å; S162-D165 WeakPolarHBondContact CB-OD2 3.28Å; S162-D165 PolarHBondContact N-OD2 3.47Å; S162-D165 PolarHBondContact O-N 3.14Å
163	P	72.8	Confident	65.9	Low	21 Å²	21	89.2 Å²	89.2	14%	0.136	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-49.3	-29.5	169.4	-27.1	34.5	0	0	0	111.8	E346 M347 E350	P163-E346 HydrophobicContact CB-CB 3.95Å; P163-E346 HydrophobicContact CG-CB 3.74Å; P163-M347 HydrophobicContact CB-CG 3.93Å; P163-E350 HydrophobicContact CG-CG 4.25Å
164	F	74.4	Confident	65.9	Low	6 Å²	6	87 Å²	87	3%	0.026	47%	0.468	C	S	.	.	G	3₁₀ helix	trans	-57.8	-47.9	169.4	-71.8	-57.8	0	0	0	113.9	S162 L166 V214 L230 V231 Y234 M347 E350 V351	S162-F164 CarbonylContact O-C 3.55Å; S162-F164 PolarHBondContact O-N 3.33Å; S162-F164 WeakPolarHBondContact OG-CD2 3.13Å; F164-L166 PolarHBondContact O-N 3.14Å; F164-V214 HydrophobicContact CB-CB 4.49Å; F164-V214 HydrophobicContact CB-CG1 4.31Å; F164-V214 HydrophobicContact CB-CG2 3.48Å; F164-V214 VanDerWaalsContact CB-CG2 3.48Å; F164-V214 HydrophobicContact CD1-CG2 3.42Å; F164-V214 VanDerWaalsContact CD1-CG2 3.42Å; F164-V214 HydrophobicContact CG-CG2 3.89Å; F164-V214 WeakPolarHBondContact O-CB 3.43Å; F164-V214 VanDerWaalsContact O-CG1 3.31Å; F164-V214 WeakPolarHBondContact O-CG1 3.44Å; F164-V214 WeakPolarHBondContact O-CG2 3Å; F164-L230 HydrophobicContact CE1-CB 4.31Å; F164-V231 HydrophobicContact CD1-CG2 3.67Å; F164-V231 HydrophobicContact CE1-CG2 3.68Å; F164-Y234 AromaticContact CD2-CD1 3.47Å; F164-Y234 HydrophobicContact CD2-CD1 3.47Å; F164-Y234 VanDerWaalsContact CD2-CD1 3.47Å; F164-Y234 HydrophobicContact CD2-CD2 4.49Å; F164-Y234 AromaticContact CD2-CE1 3.33Å; F164-Y234 HydrophobicContact CD2-CE1 3.33Å; F164-Y234 HydrophobicContact CD2-CE2 4.39Å; F164-Y234 HydrophobicContact CD2-CG 4.05Å; F164-Y234 AromaticContact CD2-CZ 3.83Å; F164-Y234 AromaticContact CE2-CD1 3.24Å; F164-Y234 HydrophobicContact CE2-CD1 3.24Å; F164-Y234 AromaticContact CE2-CD2 3.64Å; F164-Y234 HydrophobicContact CE2-CD2 3.64Å; F164-Y234 AromaticContact CE2-CE1 3.46Å; F164-Y234 HydrophobicContact CE2-CE1 3.46Å; F164-Y234 VanDerWaalsContact CE2-CE1 3.46Å; F164-Y234 AromaticContact CE2-CE2 3.84Å; F164-Y234 HydrophobicContact CE2-CE2 3.84Å; F164-Y234 AromaticContact CE2-CG 3.32Å; F164-Y234 HydrophobicContact CE2-CG 3.32Å; F164-Y234 AromaticContact CE2-CZ 3.75Å; F164-Y234 HydrophobicContact CG-CD1 4.26Å; F164-Y234 HydrophobicContact CG-CE1 4.31Å; F164-Y234 AromaticContact CZ-CD1 3.87Å; F164-Y234 HydrophobicContact CZ-CD1 3.87Å; F164-Y234 HydrophobicContact CZ-CD2 4.24Å; F164-Y234 HydrophobicContact CZ-CE1 4.49Å; F164-Y234 AromaticContact CZ-CG 3.71Å; F164-Y234 HydrophobicContact CZ-CG 3.71Å; F164-M347 HydrophobicContact CD1-CE 3.63Å; F164-M347 HydrophobicContact CD1-CG 4.16Å; F164-M347 HydrophobicContact CE1-CB 4.08Å; F164-M347 HydrophobicContact CE1-CE 3.46Å; F164-M347 VanDerWaalsContact CE1-CE 3.46Å; F164-M347 HydrophobicContact CE1-CG 4.08Å; F164-M347 HydrophobicContact CZ-CB 4.2Å; F164-E350 HydrophobicContact CD2-CB 4.2Å; F164-E350 HydrophobicContact CE2-CB 3.58Å; F164-E350 HydrophobicContact CE2-CG 4.38Å; F164-E350 HydrophobicContact CZ-CB 4.47Å; F164-V351 HydrophobicContact CZ-CG2 4.01Å
165	D	71.4	Confident	66.1	Low	104 Å²	104	87.1 Å²	87.1	56%	0.556	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-71.2	-1.1	-174.1	-55.6	-45.6	0	0	0	114.8	K161 S162	K161-D165 HydrophobicContact CB-CB 4.44Å; S162-D165 VanDerWaalsContact CB-OD2 3.3Å; S162-D165 WeakPolarHBondContact CB-OD2 3.28Å; S162-D165 PolarHBondContact N-OD2 3.47Å; S162-D165 PolarHBondContact O-N 3.14Å
166	L	66.9	Low	66.8	Low	98 Å²	98	91.4 Å²	91.4	51%	0.513	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-107.4	2.3	-165.8	-65.8	177.2	0	0	0	115.1	K161 F164	K161-L166 HydrophobicContact CB-CD2 4.01Å; K161-L166 HydrophobicContact CB-CG 4.31Å; K161-L166 HydrophobicContact CD-CD2 3.87Å; F164-L166 PolarHBondContact O-N 3.14Å
167	I	61.2	Low	68.2	Low	29 Å²	29	91.1 Å²	91.1	15%	0.149	49%	0.487	C	S	.	.			trans	-118.1	116.5	-171	-23.8	-173.4	0	0	0	112.5	V169 F212 Q343 M347	I167-V169 HydrophobicContact CB-CG2 3.96Å; I167-V169 HydrophobicContact CG2-CG2 3.53Å; I167-F212 HydrophobicContact CD1-CD1 3.57Å; I167-F212 HydrophobicContact CD1-CE1 3.74Å; I167-F212 HydrophobicContact CD1-CG 4.5Å; I167-Q343 HydrophobicContact CD1-CG 4.05Å; I167-M347 HydrophobicContact CD1-CE 4.26Å; I167-M347 HydrophobicContact CD1-SD 3.54Å; I167-M347 VanDerWaalsContact CD1-SD 3.54Å
168	D	63.1	Low	69.6	Low	111 Å²	111	85.5 Å²	85.5	59%	0.594	45%	0.453	S	S	*	.			trans	-86.5	125.5	159.9	178.9	5.6	0	0	0	109.2	D170	D168-D170 PolarHBondContact OD1-N 2.72Å
169	V	59.6	Low	71.3	Confident	0 Å²	0	86.3 Å²	86.3	0%	0	46%	0.458	C	S	.	.			trans	-135.4	12	179.4	125.4	0	0	0	0	113.9	I167 A171 L172 F212 K213	I167-V169 HydrophobicContact CB-CG2 3.96Å; I167-V169 HydrophobicContact CG2-CG2 3.53Å; V169-A171 PolarHBondContact O-N 3.13Å; V169-L172 HydrophobicContact CB-CB 3.84Å; V169-L172 HydrophobicContact CB-CD1 3.65Å; V169-L172 HydrophobicContact CB-CG 3.64Å; V169-L172 HydrophobicContact CG1-CB 3.94Å; V169-L172 HydrophobicContact CG1-CD1 3.92Å; V169-L172 HydrophobicContact CG1-CG 4.17Å; V169-L172 HydrophobicContact CG2-CD1 4.14Å; V169-L172 HydrophobicContact CG2-CG 4.47Å; V169-L172 PolarHBondContact O-N 2.96Å; V169-F212 HydrophobicContact CG2-CB 4.4Å; V169-K213 HydrophobicContact CB-CB 3.92Å; V169-K213 HydrophobicContact CB-CD 4.34Å; V169-K213 HydrophobicContact CB-CG 4.44Å; V169-K213 HydrophobicContact CG1-CB 3.3Å; V169-K213 HydrophobicContact CG1-CD 3.67Å; V169-K213 HydrophobicContact CG1-CG 3.87Å; V169-K213 HydrophobicContact CG2-CB 3.41Å; V169-K213 VanDerWaalsContact CG2-CB 3.41Å; V169-K213 HydrophobicContact CG2-CG 4.13Å
170	D	60.7	Low	72.9	Confident	105 Å²	105	78.2 Å²	78.2	56%	0.561	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.4	152.9	-61	-44	0	0	0	109.4	D168 K213	D168-D170 PolarHBondContact OD1-N 2.72Å; D170-K213 IonicContact OD1-NZ 2.7Å; D170-K213 PolarHBondContact OD1-NZ 2.94Å; D170-K213 IonicContact OD2-NZ 2.71Å; D170-K213 PolarHBondContact OD2-NZ 3Å
171	A	64.8	Low	74.3	Confident	69 Å²	69	70.6 Å²	70.6	57%	0.57	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.5	162.6	0	0	0	0	0	116.2	V169 V173	V169-A171 PolarHBondContact O-N 3.13Å; A171-V173 PolarHBondContact O-N 2.75Å
172	L	69.5	Low	75.3	Confident	39 Å²	39	65.4 Å²	65.4	20%	0.204	38%	0.381	C	S	.	.			trans	-89	102	177.6	-70.6	-175	0	0	0	111.3	V169 K208 K209 F212	V169-L172 HydrophobicContact CB-CB 3.84Å; V169-L172 HydrophobicContact CB-CD1 3.65Å; V169-L172 HydrophobicContact CB-CG 3.64Å; V169-L172 HydrophobicContact CG1-CB 3.94Å; V169-L172 HydrophobicContact CG1-CD1 3.92Å; V169-L172 HydrophobicContact CG1-CG 4.17Å; V169-L172 HydrophobicContact CG2-CD1 4.14Å; V169-L172 HydrophobicContact CG2-CG 4.47Å; V169-L172 PolarHBondContact O-N 2.96Å; L172-K208 HydrophobicContact CD1-CG 4.31Å; L172-K208 HydrophobicContact CD2-CD 4.41Å; L172-K209 WeakPolarHBondContact O-CD 3.45Å; L172-K209 WeakPolarHBondContact O-CE 3.48Å; L172-K209 PolarHBondContact O-NZ 2.92Å; L172-F212 HydrophobicContact CD1-CD2 3.7Å; L172-F212 HydrophobicContact CD1-CE2 4.28Å
173	V	74.4	Confident	75.8	Confident	105 Å²	105	65.8 Å²	65.8	64%	0.636	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-72.3	144.2	167.1	-175.5	0	0	0	0	109.4	A171 H207	A171-V173 PolarHBondContact O-N 2.75Å; V173-H207 PolarHBondContact O-CE1 3.06Å
174	V	80.2	Confident	76.1	Confident	33 Å²	33	69 Å²	69	20%	0.2	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-90.9	125.3	162.4	-178.1	0	0	0	0	105.7	Y178 K209 Y210	V174-Y178 HydrophobicContact CG1-CD1 3.73Å; V174-Y178 HydrophobicContact CG1-CG 4.08Å; V174-K209 HydrophobicContact CG2-CB 4.09Å; V174-K209 HydrophobicContact CG2-CD 3.4Å; V174-K209 HydrophobicContact CG2-CG 4.34Å; V174-Y210 HydrophobicContact CG2-CE2 4.35Å
175	E	80.4	Confident	76.3	Confident	83 Å²	83	75.1 Å²	75.1	39%	0.388	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-67.3	137.9	178.7	-55.2	82.5	-177.3	0	0	109.9	T177 Y178 H207 K208	E175-T177 PolarHBondContact O-N 3.15Å; E175-Y178 WeakPolarHBondContact O-CB 3.4Å; E175-Y178 PolarHBondContact O-N 2.81Å; E175-H207 IonicContact OE2-CD2 3.07Å; E175-H207 PolarHBondContact OE2-CD2 2.83Å; E175-H207 IonicContact OE2-NE2 2.64Å; E175-H207 PolarHBondContact OE2-NE2 3.02Å; E175-H207 VanDerWaalsContact OE2-NE2 3.07Å; E175-K208 IonicContact OE1-NZ 3.46Å; E175-K208 PolarHBondContact OE1-NZ 3.21Å
176	D	83.1	Confident	76.7	Confident	176 Å²	176	70.8 Å²	70.8	94%	0.941	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.6	-177.6	-62.2	-42.3	0	0	0	113.8
177	T	86	Confident	77.5	Confident	126 Å²	126	72.1 Å²	72.1	77%	0.773	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.9	176.1	53.8	0	0	0	0	113.9	E175 V179	E175-T177 PolarHBondContact O-N 3.15Å; T177-V179 PolarHBondContact O-N 2.91Å
178	Y	85.8	Confident	78.9	Confident	53 Å²	53	71.5 Å²	71.5	21%	0.208	41%	0.406	C	S	.	.			trans	-72.7	115.8	177.4	172.8	-105.8	0	0	0	111.1	V174 E175 P181 H207 Y210	V174-Y178 HydrophobicContact CG1-CD1 3.73Å; V174-Y178 HydrophobicContact CG1-CG 4.08Å; E175-Y178 WeakPolarHBondContact O-CB 3.4Å; E175-Y178 PolarHBondContact O-N 2.81Å; Y178-P181 WeakPolarHBondContact CE1-O 3.47Å; Y178-P181 WeakPolarHBondContact OH-CD 3.45Å; Y178-P181 PolarHBondContact OH-O 2.87Å; Y178-H207 HydrophobicContact CD1-CB 4.05Å; Y178-H207 HydrophobicContact CD2-CB 3.72Å; Y178-H207 HydrophobicContact CE1-CB 3.79Å; Y178-H207 HydrophobicContact CE2-CB 3.44Å; Y178-H207 VanDerWaalsContact CE2-CB 3.44Å; Y178-H207 HydrophobicContact CG-CB 4Å; Y178-H207 VanDerWaalsContact CZ-CB 3.44Å; Y178-H207 PolarHBondContact OH-N 2.86Å; Y178-Y210 HydrophobicContact CD1-CE2 4.37Å; Y178-Y210 HydrophobicContact CE1-CD2 4.28Å; Y178-Y210 AromaticContact CE1-CE2 3.72Å; Y178-Y210 HydrophobicContact CE1-CE2 3.72Å
179	V	86.1	Confident	80.3	Confident	126 Å²	126	67.9 Å²	67.9	76%	0.764	39%	0.388	S	S	*	.			trans	-112.4	111.8	170.7	-177.3	0	0	0	0	108	T177	T177-V179 PolarHBondContact O-N 2.91Å
180	G	89	Confident	82	Confident	28 Å²	28	71 Å²	71	29%	0.289	41%	0.408	S	S	.	.	S	Bend	trans	174.9	-173.9	-177.9	0	0	0	0	0	112
181	P	90.5	Very high	83.6	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	40%	0.403	C	S	.	.			trans	-60.7	140.6	177.5	28.8	-40.8	0	0	0	111.7	Y178 F192 N195 L196 T199 L206 Y210	Y178-P181 WeakPolarHBondContact CE1-O 3.47Å; Y178-P181 WeakPolarHBondContact OH-CD 3.45Å; Y178-P181 PolarHBondContact OH-O 2.87Å; P181-F192 HydrophobicContact CB-CD2 3.77Å; P181-F192 HydrophobicContact CB-CE2 3.65Å; P181-F192 HydrophobicContact CB-CG 4.42Å; P181-F192 HydrophobicContact CB-CZ 4.21Å; P181-F192 HydrophobicContact CG-CE2 4.43Å; P181-N195 HydrophobicContact CB-CB 3.91Å; P181-L196 HydrophobicContact CB-CB 4.35Å; P181-L196 HydrophobicContact CG-CB 4.24Å; P181-L196 HydrophobicContact CG-CD1 3.95Å; P181-T199 WeakPolarHBondContact CD-OG1 2.79Å; P181-L206 HydrophobicContact CB-CD1 4.41Å; P181-L206 HydrophobicContact CG-CD1 3.59Å; P181-Y210 WeakPolarHBondContact O-CD2 3.35Å; P181-Y210 WeakPolarHBondContact O-CE2 3.43Å
182	A	87.5	Confident	84.9	Confident	44 Å²	44	68 Å²	68	36%	0.364	38%	0.377	S	S	.	.			trans	-136.6	135.1	175.9	0	0	0	0	0	109.1	F192 Y210	A182-F192 WeakPolarHBondContact O-CD2 3.14Å; A182-Y210 HydrophobicContact CB-CE1 4.01Å; A182-Y210 HydrophobicContact CB-CE2 4.04Å; A182-Y210 VanDerWaalsContact CB-OH 3.32Å; A182-Y210 WeakPolarHBondContact CB-OH 3.44Å
183	L	83.7	Confident	86.1	Confident	25 Å²	25	66.5 Å²	66.5	13%	0.131	37%	0.369	C	S	.	.			trans	-72.1	129.2	-177.3	-64	167.1	0	0	0	110.8	K187 V188 F192 Y210 V227 Q228	L183-K187 WeakPolarHBondContact CD2-O 3.43Å; L183-V188 HydrophobicContact CD2-CG2 4.01Å; L183-F192 HydrophobicContact CD2-CD1 4.09Å; L183-F192 HydrophobicContact CD2-CD2 3.59Å; L183-F192 HydrophobicContact CD2-CE1 3.97Å; L183-F192 HydrophobicContact CD2-CE2 3.45Å; L183-F192 VanDerWaalsContact CD2-CE2 3.45Å; L183-F192 HydrophobicContact CD2-CG 3.91Å; L183-F192 HydrophobicContact CD2-CZ 3.66Å; L183-F192 HydrophobicContact CG-CD2 4.06Å; L183-F192 HydrophobicContact CG-CE2 3.7Å; L183-F192 HydrophobicContact CG-CZ 4.2Å; L183-Y210 HydrophobicContact CB-CD1 4.08Å; L183-Y210 HydrophobicContact CB-CE1 4.48Å; L183-Y210 HydrophobicContact CD1-CD1 3.94Å; L183-Y210 HydrophobicContact CG-CD1 3.84Å; L183-Y210 HydrophobicContact CG-CG 4.42Å; L183-V227 WeakPolarHBondContact CD1-O 3.24Å; L183-Q228 HydrophobicContact CD1-CG 4.33Å
184	E	79.8	Confident	87.1	Confident	89 Å²	89	67.1 Å²	67.1	42%	0.416	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-91.2	124.4	175.4	-68.1	174.9	168.1	0	0	108.8	G186 K187 T189 K191	E184-G186 PolarHBondContact O-N 2.81Å; E184-G186 VanDerWaalsContact O-N 3.09Å; E184-K187 PolarHBondContact O-N 2.97Å; E184-T189 HydrophobicContact CB-CG2 4.35Å; E184-K191 IonicContact OE1-NZ 2.67Å; E184-K191 PolarHBondContact OE1-NZ 2.87Å
185	D	78.8	Confident	87.9	Confident	134 Å²	134	68.3 Å²	68.3	72%	0.717	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	30.9	-168.8	-60.2	-30.3	0	0	0	113.9	K187	D185-K187 PolarHBondContact O-N 2.9Å
186	G	78.8	Confident	88.6	Confident	13 Å²	13	64.4 Å²	64.4	13%	0.134	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	-5.8	-173.2	0	0	0	0	0	114.9	E184 V227	E184-G186 PolarHBondContact O-N 2.81Å; E184-G186 VanDerWaalsContact O-N 3.09Å; G186-V227 CarbonylContact C-O 3.16Å; G186-V227 WeakPolarHBondContact CA-O 3.41Å; G186-V227 CarbonylContact O-C 3.48Å; G186-V227 VanDerWaalsContact O-CB 3.22Å; G186-V227 WeakPolarHBondContact O-CB 3.19Å; G186-V227 WeakPolarHBondContact O-CG1 3.29Å
187	K	84.9	Confident	89.2	Confident	126 Å²	126	56.4 Å²	56.4	55%	0.548	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-87.9	146.5	-173.9	-67.7	171.9	-173.8	168.1	0	112	L183 E184 D185 T189 V227	L183-K187 WeakPolarHBondContact CD2-O 3.43Å; E184-K187 PolarHBondContact O-N 2.97Å; D185-K187 PolarHBondContact O-N 2.9Å; K187-T189 PolarHBondContact O-N 2.82Å; K187-V227 HydrophobicContact CG-CG1 4.25Å
188	V	90	Very high	89.7	Confident	16 Å²	16	56 Å²	56	10%	0.097	30%	0.298	C	S	.	.			trans	-66.8	121.1	161	178.9	0	0	0	0	107.8	L183 F192 I229 L308 L309	L183-V188 HydrophobicContact CD2-CG2 4.01Å; V188-F192 HydrophobicContact CG1-CD1 3.99Å; V188-F192 HydrophobicContact CG2-CD1 4.42Å; V188-F192 HydrophobicContact CG2-CE1 4.43Å; V188-I229 HydrophobicContact CG2-CG1 4.19Å; V188-L308 HydrophobicContact CB-CB 4.31Å; V188-L308 HydrophobicContact CG2-CB 4.09Å; V188-L308 HydrophobicContact CG2-CD1 3.95Å; V188-L309 HydrophobicContact CG1-CB 4.09Å
189	T	92.5	Very high	90.1	Very high	35 Å²	35	54 Å²	54	22%	0.215	29%	0.291	C	S	.	.			trans	-113.9	167.3	173.9	66.5	0	0	0	0	110.2	E184 K187 K191 F192 L193	E184-T189 HydrophobicContact CB-CG2 4.35Å; K187-T189 PolarHBondContact O-N 2.82Å; T189-K191 VanDerWaalsContact C-N 3.29Å; T189-K191 PolarHBondContact O-N 3.2Å; T189-F192 WeakPolarHBondContact O-CB 3.29Å; T189-F192 PolarHBondContact O-N 3.2Å; T189-F192 PolarHBondContact OG1-N 2.79Å; T189-F192 VanDerWaalsContact OG1-N 3.08Å; T189-L193 PolarHBondContact O-N 2.85Å
190	V	94.5	Very high	90.6	Very high	67 Å²	67	48 Å²	48	41%	0.406	26%	0.255	S	S	.	.	H	α-helix	trans	-55.6	-47.1	173.1	178.8	0	0	0	0	110.5	F192 L193 E194 L309	V190-F192 PolarHBondContact O-N 2.83Å; V190-L193 WeakPolarHBondContact O-CB 3.45Å; V190-L193 PolarHBondContact O-N 3.01Å; V190-L193 VanDerWaalsContact O-N 3.11Å; V190-E194 HydrophobicContact CG1-CG 4.4Å; V190-E194 WeakPolarHBondContact O-CG 3.27Å; V190-E194 PolarHBondContact O-N 3.39Å; V190-L309 HydrophobicContact CG2-CD1 4.37Å; V190-L309 HydrophobicContact CG2-CD2 4.14Å
191	K	94.5	Very high	90.8	Very high	108 Å²	108	53.2 Å²	53.2	47%	0.47	27%	0.266	S	S	.	.	H	α-helix	trans	-60.4	-40.3	176.5	179	-173.7	169.3	-161	0	113.1	E184 T189 L193 N195	E184-K191 IonicContact OE1-NZ 2.67Å; E184-K191 PolarHBondContact OE1-NZ 2.87Å; T189-K191 VanDerWaalsContact C-N 3.29Å; T189-K191 PolarHBondContact O-N 3.2Å; K191-L193 VanDerWaalsContact C-N 3.35Å; K191-N195 WeakPolarHBondContact O-CB 3.49Å; K191-N195 VanDerWaalsContact O-CG 3.23Å; K191-N195 PolarHBondContact O-N 3.39Å; K191-N195 VanDerWaalsContact O-N 3.08Å; K191-N195 PolarHBondContact O-OD1 2.69Å
192	F	93.6	Very high	90.9	Very high	3 Å²	3	57.3 Å²	57.3	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-45.7	173	174.3	-88.1	0	0	0	111.1	P181 A182 L183 V188 T189 V190 N195 L196 L206 I229	P181-F192 HydrophobicContact CB-CD2 3.77Å; P181-F192 HydrophobicContact CB-CE2 3.65Å; P181-F192 HydrophobicContact CB-CG 4.42Å; P181-F192 HydrophobicContact CB-CZ 4.21Å; P181-F192 HydrophobicContact CG-CE2 4.43Å; A182-F192 WeakPolarHBondContact O-CD2 3.14Å; L183-F192 HydrophobicContact CD2-CD1 4.09Å; L183-F192 HydrophobicContact CD2-CD2 3.59Å; L183-F192 HydrophobicContact CD2-CE1 3.97Å; L183-F192 HydrophobicContact CD2-CE2 3.45Å; L183-F192 VanDerWaalsContact CD2-CE2 3.45Å; L183-F192 HydrophobicContact CD2-CG 3.91Å; L183-F192 HydrophobicContact CD2-CZ 3.66Å; L183-F192 HydrophobicContact CG-CD2 4.06Å; L183-F192 HydrophobicContact CG-CE2 3.7Å; L183-F192 HydrophobicContact CG-CZ 4.2Å; V188-F192 HydrophobicContact CG1-CD1 3.99Å; V188-F192 HydrophobicContact CG2-CD1 4.42Å; V188-F192 HydrophobicContact CG2-CE1 4.43Å; T189-F192 WeakPolarHBondContact O-CB 3.29Å; T189-F192 PolarHBondContact O-N 3.2Å; T189-F192 PolarHBondContact OG1-N 2.79Å; T189-F192 VanDerWaalsContact OG1-N 3.08Å; V190-F192 PolarHBondContact O-N 2.83Å; F192-N195 PolarHBondContact O-N 2.8Å; F192-L196 HydrophobicContact CE1-CB 4.44Å; F192-L196 HydrophobicContact CE1-CD2 4.14Å; F192-L196 VanDerWaalsContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CB 3.33Å; F192-L196 PolarHBondContact O-N 3.36Å; F192-L206 HydrophobicContact CE2-CD1 4.24Å; F192-L206 HydrophobicContact CZ-CD1 3.93Å; F192-L206 HydrophobicContact CZ-CD2 4.48Å; F192-I229 HydrophobicContact CE1-CD1 3.92Å; F192-I229 HydrophobicContact CZ-CD1 3.9Å
193	L	94.7	Very high	91	Very high	7 Å²	7	61.4 Å²	61.4	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-44.2	179.2	177.1	66.5	0	0	0	111.7	T189 V190 K191 N195 L196 L197 M276 L306 L309	T189-L193 PolarHBondContact O-N 2.85Å; V190-L193 WeakPolarHBondContact O-CB 3.45Å; V190-L193 PolarHBondContact O-N 3.01Å; V190-L193 VanDerWaalsContact O-N 3.11Å; K191-L193 VanDerWaalsContact C-N 3.35Å; L193-N195 PolarHBondContact O-N 3.27Å; L193-L196 HydrophobicContact CD1-CD2 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 2.87Å; L193-L197 HydrophobicContact CD1-CD2 4.43Å; L193-L197 HydrophobicContact CD1-CG 4.28Å; L193-L197 HydrophobicContact CG-CD1 4.49Å; L193-L197 WeakPolarHBondContact O-CG 3.39Å; L193-L197 PolarHBondContact O-N 3.34Å; L193-M276 HydrophobicContact CD2-CE 4.2Å; L193-L306 HydrophobicContact CD1-CG 4.29Å; L193-L306 HydrophobicContact CD2-CD2 3.49Å; L193-L306 VanDerWaalsContact CD2-CD2 3.49Å; L193-L306 HydrophobicContact CD2-CG 4.1Å; L193-L309 HydrophobicContact CB-CD2 4.45Å; L193-L309 HydrophobicContact CD2-CD2 3.86Å
194	E	95.8	Very high	91.4	Very high	118 Å²	118	65.1 Å²	65.1	55%	0.551	32%	0.315	S	S	*	.	H	α-helix	trans	-56.6	-50.9	175.6	-71.8	168.9	154.2	0	0	111.1	V190 L196 L197 E198	V190-E194 HydrophobicContact CG1-CG 4.4Å; V190-E194 WeakPolarHBondContact O-CG 3.27Å; V190-E194 PolarHBondContact O-N 3.39Å; E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.48Å; E194-L197 PolarHBondContact O-N 2.8Å; E194-E198 PolarHBondContact O-N 3.39Å
195	N	95.6	Very high	91.9	Very high	58 Å²	58	65.7 Å²	65.7	31%	0.31	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-32.5	176.7	-68.1	-1.8	0	0	0	112.9	P181 K191 F192 L193 T199	P181-N195 HydrophobicContact CB-CB 3.91Å; K191-N195 WeakPolarHBondContact O-CB 3.49Å; K191-N195 VanDerWaalsContact O-CG 3.23Å; K191-N195 PolarHBondContact O-N 3.39Å; K191-N195 VanDerWaalsContact O-N 3.08Å; K191-N195 PolarHBondContact O-OD1 2.69Å; F192-N195 PolarHBondContact O-N 2.8Å; L193-N195 PolarHBondContact O-N 3.27Å; N195-T199 VanDerWaalsContact O-CB 3.26Å; N195-T199 WeakPolarHBondContact O-CB 3.47Å; N195-T199 PolarHBondContact O-N 3.14Å; N195-T199 PolarHBondContact O-OG1 3.04Å
196	L	94.8	Very high	92.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-66.9	-47	175.8	-177.4	73.1	0	0	0	111.2	P181 F192 L193 E194 E198 T199 F200 L206 S305	P181-L196 HydrophobicContact CB-CB 4.35Å; P181-L196 HydrophobicContact CG-CB 4.24Å; P181-L196 HydrophobicContact CG-CD1 3.95Å; F192-L196 HydrophobicContact CE1-CB 4.44Å; F192-L196 HydrophobicContact CE1-CD2 4.14Å; F192-L196 VanDerWaalsContact O-CB 3.3Å; F192-L196 WeakPolarHBondContact O-CB 3.33Å; F192-L196 PolarHBondContact O-N 3.36Å; L193-L196 HydrophobicContact CD1-CD2 4.46Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 2.87Å; E194-L196 VanDerWaalsContact C-N 3.29Å; E194-L196 PolarHBondContact O-N 3.48Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.19Å; L196-T199 PolarHBondContact O-N 2.96Å; L196-F200 HydrophobicContact CD1-CD2 4.33Å; L196-F200 HydrophobicContact CD1-CE1 3.98Å; L196-F200 HydrophobicContact CD1-CE2 3.64Å; L196-F200 HydrophobicContact CD1-CZ 3.45Å; L196-F200 VanDerWaalsContact CD1-CZ 3.45Å; L196-F200 HydrophobicContact CD2-CE2 4.01Å; L196-F200 HydrophobicContact CG-CD2 4.05Å; L196-F200 HydrophobicContact CG-CE2 3.61Å; L196-F200 HydrophobicContact CG-CZ 3.99Å; L196-F200 WeakPolarHBondContact O-CG 3.24Å; L196-F200 PolarHBondContact O-N 3.46Å; L196-L206 HydrophobicContact CD1-CB 4.02Å; L196-L206 HydrophobicContact CD1-CD1 3.96Å; L196-L206 HydrophobicContact CD1-CD2 4.09Å; L196-L206 HydrophobicContact CD1-CG 4.25Å; L196-S305 WeakPolarHBondContact CD2-OG 3.34Å
197	L	96.9	Very high	92.9	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-38.8	178.1	-63.2	-176.8	0	0	0	111.8	L193 E194 R201 F264 L268 M276 T302	L193-L197 HydrophobicContact CD1-CD2 4.43Å; L193-L197 HydrophobicContact CD1-CG 4.28Å; L193-L197 HydrophobicContact CG-CD1 4.49Å; L193-L197 WeakPolarHBondContact O-CG 3.39Å; L193-L197 PolarHBondContact O-N 3.34Å; E194-L197 PolarHBondContact O-N 2.8Å; L197-R201 VanDerWaalsContact O-CG 3.26Å; L197-R201 WeakPolarHBondContact O-CG 3.38Å; L197-R201 PolarHBondContact O-N 3.46Å; L197-F264 HydrophobicContact CD2-CE2 3.97Å; L197-F264 HydrophobicContact CD2-CZ 4.17Å; L197-L268 HydrophobicContact CD1-CD2 4.19Å; L197-L268 HydrophobicContact CD2-CD2 4.06Å; L197-M276 HydrophobicContact CD1-CE 3.71Å; L197-M276 HydrophobicContact CD1-SD 4.33Å; L197-T302 HydrophobicContact CD2-CG2 3.61Å; L197-T302 WeakPolarHBondContact CD2-OG1 3.44Å
198	E	95.8	Very high	92.7	Very high	117 Å²	117	56.9 Å²	56.9	55%	0.547	27%	0.268	S	S	.	.	H	α-helix	trans	-64	-46.7	173.3	-172.9	171.1	-146.8	0	0	111.5	E194 L196 F200 R201 D202	E194-E198 PolarHBondContact O-N 3.39Å; L196-E198 VanDerWaalsContact C-N 3.34Å; L196-E198 PolarHBondContact O-N 3.19Å; E198-F200 VanDerWaalsContact C-N 3.31Å; E198-F200 PolarHBondContact O-N 2.77Å; E198-R201 PolarHBondContact O-N 2.97Å; E198-R201 VanDerWaalsContact O-N 3.17Å; E198-D202 WeakPolarHBondContact O-CB 3.49Å; E198-D202 PolarHBondContact O-N 2.95Å
199	T	94.9	Very high	92.3	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-41.5	176.9	-64.7	0	0	0	0	112.3	P181 N195 L196 D202 K204	P181-T199 WeakPolarHBondContact CD-OG1 2.79Å; N195-T199 VanDerWaalsContact O-CB 3.26Å; N195-T199 WeakPolarHBondContact O-CB 3.47Å; N195-T199 PolarHBondContact O-N 3.14Å; N195-T199 PolarHBondContact O-OG1 3.04Å; L196-T199 PolarHBondContact O-N 2.96Å; T199-D202 PolarHBondContact O-N 3.48Å; T199-K204 HydrophobicContact CG2-CB 3.6Å; T199-K204 WeakPolarHBondContact O-CA 3.33Å; T199-K204 WeakPolarHBondContact O-CB 3.22Å; T199-K204 PolarHBondContact O-N 2.78Å
200	F	95.1	Very high	91.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-73.8	-31.9	177.7	-67.4	-21.1	0	0	0	113.6	L196 E198 D202 E203 L206 F264 Y265 E298 F301	L196-F200 HydrophobicContact CD1-CD2 4.33Å; L196-F200 HydrophobicContact CD1-CE1 3.98Å; L196-F200 HydrophobicContact CD1-CE2 3.64Å; L196-F200 HydrophobicContact CD1-CZ 3.45Å; L196-F200 VanDerWaalsContact CD1-CZ 3.45Å; L196-F200 HydrophobicContact CD2-CE2 4.01Å; L196-F200 HydrophobicContact CG-CD2 4.05Å; L196-F200 HydrophobicContact CG-CE2 3.61Å; L196-F200 HydrophobicContact CG-CZ 3.99Å; L196-F200 WeakPolarHBondContact O-CG 3.24Å; L196-F200 PolarHBondContact O-N 3.46Å; E198-F200 VanDerWaalsContact C-N 3.31Å; E198-F200 PolarHBondContact O-N 2.77Å; F200-D202 VanDerWaalsContact C-N 3.29Å; F200-E203 PolarHBondContact O-N 3.13Å; F200-L206 HydrophobicContact CE1-CB 4.17Å; F200-L206 HydrophobicContact CZ-CB 4.3Å; F200-F264 HydrophobicContact CB-CD1 4.34Å; F200-F264 HydrophobicContact CB-CE1 3.53Å; F200-F264 HydrophobicContact CB-CE2 4.21Å; F200-F264 HydrophobicContact CB-CZ 3.45Å; F200-F264 VanDerWaalsContact CB-CZ 3.45Å; F200-F264 HydrophobicContact CD2-CE2 4.1Å; F200-F264 HydrophobicContact CD2-CZ 4.14Å; F200-F264 HydrophobicContact CG-CZ 4.33Å; F200-Y265 PolarHBondContact O-OH 3.05Å; F200-E298 HydrophobicContact CB-CB 4.11Å; F200-E298 HydrophobicContact CB-CG 3.84Å; F200-E298 HydrophobicContact CD1-CB 4.31Å; F200-E298 HydrophobicContact CD1-CG 3.67Å; F200-E298 HydrophobicContact CD2-CB 3.69Å; F200-E298 HydrophobicContact CD2-CG 3.99Å; F200-E298 HydrophobicContact CE1-CG 4.12Å; F200-E298 HydrophobicContact CE2-CB 4.09Å; F200-E298 HydrophobicContact CE2-CG 4.42Å; F200-E298 WeakPolarHBondContact CE2-O 3.37Å; F200-E298 HydrophobicContact CG-CB 3.81Å; F200-E298 HydrophobicContact CG-CG 3.58Å; F200-E298 HydrophobicContact CZ-CG 4.47Å; F200-F301 HydrophobicContact CE2-CB 3.96Å; F200-F301 HydrophobicContact CZ-CB 3.9Å; F200-F301 HydrophobicContact CZ-CD2 4.41Å
201	R	94	Very high	91	Very high	137 Å²	137	56.1 Å²	56.1	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-65.7	-33.2	170.2	-72.4	170.6	-166.2	178	5.2	112.4	L197 E198 E203 F264 L268	L197-R201 VanDerWaalsContact O-CG 3.26Å; L197-R201 WeakPolarHBondContact O-CG 3.38Å; L197-R201 PolarHBondContact O-N 3.46Å; E198-R201 PolarHBondContact O-N 2.97Å; E198-R201 VanDerWaalsContact O-N 3.17Å; R201-E203 PolarHBondContact O-N 3.39Å; R201-F264 HydrophobicContact CG-CE1 4.33Å; R201-L268 HydrophobicContact CG-CD1 3.69Å
202	D	92.3	Very high	89.6	Confident	86 Å²	86	51.9 Å²	51.9	46%	0.46	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	8.8	175.8	-87	12.8	0	0	0	113.7	E198 T199 F200 K204	E198-D202 WeakPolarHBondContact O-CB 3.49Å; E198-D202 PolarHBondContact O-N 2.95Å; T199-D202 PolarHBondContact O-N 3.48Å; F200-D202 VanDerWaalsContact C-N 3.29Å; D202-K204 HydrophobicContact CB-CD 3.77Å; D202-K204 HydrophobicContact CB-CG 4.13Å; D202-K204 PolarHBondContact O-N 3.09Å; D202-K204 VanDerWaalsContact O-N 3.11Å; D202-K204 IonicContact OD2-NZ 2.78Å; D202-K204 PolarHBondContact OD2-NZ 2.85Å
203	E	91	Very high	87.7	Confident	129 Å²	129	52.4 Å²	52.4	60%	0.603	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	20.3	-175.5	-55.3	-174.7	-106.7	0	0	114.1	F200 R201 P499	F200-E203 PolarHBondContact O-N 3.13Å; R201-E203 PolarHBondContact O-N 3.39Å; E203-P499 VanDerWaalsContact CD-CB 3.49Å; E203-P499 VanDerWaalsContact CD-CG 3.47Å; E203-P499 HydrophobicContact CG-CB 4.29Å; E203-P499 HydrophobicContact CG-CG 3.77Å; E203-P499 WeakPolarHBondContact OE2-CB 3.45Å
204	K	91.6	Very high	85.1	Confident	104 Å²	104	52.8 Å²	52.8	45%	0.452	24%	0.24	S	C	.	.			trans	-91.8	165.3	176.6	-63.3	161	-170.8	160.7	0	110.6	T199 D202	T199-K204 HydrophobicContact CG2-CB 3.6Å; T199-K204 WeakPolarHBondContact O-CA 3.33Å; T199-K204 WeakPolarHBondContact O-CB 3.22Å; T199-K204 PolarHBondContact O-N 2.78Å; D202-K204 HydrophobicContact CB-CD 3.77Å; D202-K204 HydrophobicContact CB-CG 4.13Å; D202-K204 PolarHBondContact O-N 3.09Å; D202-K204 VanDerWaalsContact O-N 3.11Å; D202-K204 IonicContact OD2-NZ 2.78Å; D202-K204 PolarHBondContact OD2-NZ 2.85Å
205	K	89.2	Confident	82.4	Confident	100 Å²	100	52 Å²	52	44%	0.435	24%	0.244	S	C	.	.			trans	-108.1	145.2	-178.5	-61.6	175.2	-177.7	175.5	0	111.3	H207 K339	K205-H207 PolarHBondContact O-N 3.38Å; K205-K339 HydrophobicContact CD-CB 4.41Å; K205-K339 PolarHBondContact NZ-O 3.05Å
206	L	90.6	Very high	79.7	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	25%	0.254	C	S	.	.			trans	-60.1	131.7	163.3	177.4	62.2	0	0	0	109	P181 F192 L196 F200 K208 Y210 A211 I229 F301 Y340	P181-L206 HydrophobicContact CB-CD1 4.41Å; P181-L206 HydrophobicContact CG-CD1 3.59Å; F192-L206 HydrophobicContact CE2-CD1 4.24Å; F192-L206 HydrophobicContact CZ-CD1 3.93Å; F192-L206 HydrophobicContact CZ-CD2 4.48Å; L196-L206 HydrophobicContact CD1-CB 4.02Å; L196-L206 HydrophobicContact CD1-CD1 3.96Å; L196-L206 HydrophobicContact CD1-CD2 4.09Å; L196-L206 HydrophobicContact CD1-CG 4.25Å; F200-L206 HydrophobicContact CE1-CB 4.17Å; F200-L206 HydrophobicContact CZ-CB 4.3Å; L206-K208 PolarHBondContact O-N 3.4Å; L206-Y210 HydrophobicContact CD1-CD2 4.22Å; L206-Y210 HydrophobicContact CD1-CG 4.4Å; L206-A211 HydrophobicContact CD2-CB 4.38Å; L206-I229 HydrophobicContact CD2-CD1 3.72Å; L206-F301 HydrophobicContact CD2-CD1 4.4Å; L206-Y340 WeakPolarHBondContact O-CE1 3.09Å; L206-Y340 PolarHBondContact O-OH 3.32Å; L206-Y340 VanDerWaalsContact O-OH 3.09Å
207	H	88.1	Confident	76.8	Confident	16 Å²	16	58.2 Å²	58.2	7%	0.074	29%	0.286	C	S	.	.			trans	-63.4	138.3	178	178.6	-103.2	0	0	0	111.9	V173 E175 Y178 K205 K209 Y210	V173-H207 PolarHBondContact O-CE1 3.06Å; E175-H207 IonicContact OE2-CD2 3.07Å; E175-H207 PolarHBondContact OE2-CD2 2.83Å; E175-H207 IonicContact OE2-NE2 2.64Å; E175-H207 PolarHBondContact OE2-NE2 3.02Å; E175-H207 VanDerWaalsContact OE2-NE2 3.07Å; Y178-H207 HydrophobicContact CD1-CB 4.05Å; Y178-H207 HydrophobicContact CD2-CB 3.72Å; Y178-H207 HydrophobicContact CE1-CB 3.79Å; Y178-H207 HydrophobicContact CE2-CB 3.44Å; Y178-H207 VanDerWaalsContact CE2-CB 3.44Å; Y178-H207 HydrophobicContact CG-CB 4Å; Y178-H207 VanDerWaalsContact CZ-CB 3.44Å; Y178-H207 PolarHBondContact OH-N 2.86Å; K205-H207 PolarHBondContact O-N 3.38Å; H207-K209 VanDerWaalsContact ND1-CB 3.31Å; H207-K209 WeakPolarHBondContact ND1-CB 3.47Å; H207-K209 PolarHBondContact ND1-N 3.4Å; H207-K209 PolarHBondContact O-N 3.09Å; H207-Y210 HydrophobicContact CB-CD2 3.95Å; H207-Y210 HydrophobicContact CB-CE2 4.16Å; H207-Y210 PolarHBondContact O-N 3.26Å
208	K	82.1	Confident	74.4	Confident	70 Å²	70	63.5 Å²	63.5	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-44.9	-36.5	-177.8	63.8	-166.7	173.3	-149.6	0	114.3	L172 E175 L206 Y210 A211 F212	L172-K208 HydrophobicContact CD1-CG 4.31Å; L172-K208 HydrophobicContact CD2-CD 4.41Å; E175-K208 IonicContact OE1-NZ 3.46Å; E175-K208 PolarHBondContact OE1-NZ 3.21Å; L206-K208 PolarHBondContact O-N 3.4Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; K208-Y210 PolarHBondContact O-N 3.32Å; K208-A211 PolarHBondContact O-N 3.47Å; K208-A211 VanDerWaalsContact O-N 3.14Å; K208-F212 HydrophobicContact CB-CD2 4.13Å; K208-F212 HydrophobicContact CB-CE2 4.1Å; K208-F212 VanDerWaalsContact O-CD2 3.26Å; K208-F212 WeakPolarHBondContact O-CD2 3.47Å; K208-F212 PolarHBondContact O-N 3.12Å
209	K	81.4	Confident	71.6	Confident	64 Å²	64	63 Å²	63	28%	0.278	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-29	179.1	-171.8	177.4	-169.9	146.9	0	114	L172 V174 H207 F212 Q228	L172-K209 WeakPolarHBondContact O-CD 3.45Å; L172-K209 WeakPolarHBondContact O-CE 3.48Å; L172-K209 PolarHBondContact O-NZ 2.92Å; V174-K209 HydrophobicContact CG2-CB 4.09Å; V174-K209 HydrophobicContact CG2-CD 3.4Å; V174-K209 HydrophobicContact CG2-CG 4.34Å; H207-K209 VanDerWaalsContact ND1-CB 3.31Å; H207-K209 WeakPolarHBondContact ND1-CB 3.47Å; H207-K209 PolarHBondContact ND1-N 3.4Å; H207-K209 PolarHBondContact O-N 3.09Å; K209-F212 VanDerWaalsContact O-O 3.1Å; K209-Q228 PolarHBondContact O-OE1 3.32Å; K209-Q228 VanDerWaalsContact O-OE1 3.11Å
210	Y	82.1	Confident	68.8	Low	39 Å²	39	65.2 Å²	65.2	15%	0.153	36%	0.359	C	S	.	.	H	α-helix	trans	-92.4	-7.7	178.5	-52.1	-63.3	0	0	0	112.1	V174 Y178 P181 A182 L183 L206 H207 K208 F212	V174-Y210 HydrophobicContact CG2-CE2 4.35Å; Y178-Y210 HydrophobicContact CD1-CE2 4.37Å; Y178-Y210 HydrophobicContact CE1-CD2 4.28Å; Y178-Y210 AromaticContact CE1-CE2 3.72Å; Y178-Y210 HydrophobicContact CE1-CE2 3.72Å; P181-Y210 WeakPolarHBondContact O-CD2 3.35Å; P181-Y210 WeakPolarHBondContact O-CE2 3.43Å; A182-Y210 HydrophobicContact CB-CE1 4.01Å; A182-Y210 HydrophobicContact CB-CE2 4.04Å; A182-Y210 VanDerWaalsContact CB-OH 3.32Å; A182-Y210 WeakPolarHBondContact CB-OH 3.44Å; L183-Y210 HydrophobicContact CB-CD1 4.08Å; L183-Y210 HydrophobicContact CB-CE1 4.48Å; L183-Y210 HydrophobicContact CD1-CD1 3.94Å; L183-Y210 HydrophobicContact CG-CD1 3.84Å; L183-Y210 HydrophobicContact CG-CG 4.42Å; L206-Y210 HydrophobicContact CD1-CD2 4.22Å; L206-Y210 HydrophobicContact CD1-CG 4.4Å; H207-Y210 HydrophobicContact CB-CD2 3.95Å; H207-Y210 HydrophobicContact CB-CE2 4.16Å; H207-Y210 PolarHBondContact O-N 3.26Å; K208-Y210 VanDerWaalsContact C-N 3.29Å; K208-Y210 PolarHBondContact O-N 3.32Å; Y210-F212 CarbonylContact C-O 3.57Å
211	A	76.5	Confident	66	Low	0 Å²	0	70.4 Å²	70.4	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-95.9	-47.5	175	0	0	0	0	0	113.2	L206 K208 F301 M344	L206-A211 HydrophobicContact CD2-CB 4.38Å; K208-A211 PolarHBondContact O-N 3.47Å; K208-A211 VanDerWaalsContact O-N 3.14Å; A211-F301 HydrophobicContact CB-CE1 4.04Å; A211-F301 HydrophobicContact CB-CE2 4.48Å; A211-F301 HydrophobicContact CB-CZ 3.67Å; A211-M344 HydrophobicContact CB-CE 3.67Å; A211-M344 HydrophobicContact CB-SD 4.4Å
212	F	66	Low	63.1	Low	18 Å²	18	69.9 Å²	69.9	8%	0.079	41%	0.413	C	S	.	.			trans	-66.4	173.1	155.4	-59.5	-59.4	0	0	0	109.4	I167 V169 L172 K208 K209 Y210 Q228 M344 M347	I167-F212 HydrophobicContact CD1-CD1 3.57Å; I167-F212 HydrophobicContact CD1-CE1 3.74Å; I167-F212 HydrophobicContact CD1-CG 4.5Å; V169-F212 HydrophobicContact CG2-CB 4.4Å; L172-F212 HydrophobicContact CD1-CD2 3.7Å; L172-F212 HydrophobicContact CD1-CE2 4.28Å; K208-F212 HydrophobicContact CB-CD2 4.13Å; K208-F212 HydrophobicContact CB-CE2 4.1Å; K208-F212 VanDerWaalsContact O-CD2 3.26Å; K208-F212 WeakPolarHBondContact O-CD2 3.47Å; K208-F212 PolarHBondContact O-N 3.12Å; K209-F212 VanDerWaalsContact O-O 3.1Å; Y210-F212 CarbonylContact C-O 3.57Å; F212-Q228 WeakPolarHBondContact O-CB 3.46Å; F212-Q228 VanDerWaalsContact O-CD 3.31Å; F212-Q228 WeakPolarHBondContact O-CG 3.44Å; F212-Q228 PolarHBondContact O-OE1 2.95Å; F212-M344 HydrophobicContact CD1-CE 3.85Å; F212-M344 HydrophobicContact CD2-CE 4.16Å; F212-M344 HydrophobicContact CE1-CE 3.58Å; F212-M344 HydrophobicContact CE1-SD 4.29Å; F212-M344 HydrophobicContact CE2-CE 3.91Å; F212-M344 HydrophobicContact CG-CE 4.13Å; F212-M344 HydrophobicContact CZ-CE 3.62Å; F212-M347 HydrophobicContact CD1-CE 3.98Å; F212-M347 HydrophobicContact CD1-SD 3.67Å; F212-M347 HydrophobicContact CE1-SD 3.74Å
213	K	52.9	Low	60.4	Low	14 Å²	14	71.1 Å²	71.1	6%	0.061	43%	0.427	C	S	.	.			cis	-147.4	170.5	21.4	112.4	-154.7	-98.6	-148.7	0	113.3	V169 D170 C226 Q228 V231	V169-K213 HydrophobicContact CB-CB 3.92Å; V169-K213 HydrophobicContact CB-CD 4.34Å; V169-K213 HydrophobicContact CB-CG 4.44Å; V169-K213 HydrophobicContact CG1-CB 3.3Å; V169-K213 HydrophobicContact CG1-CD 3.67Å; V169-K213 HydrophobicContact CG1-CG 3.87Å; V169-K213 HydrophobicContact CG2-CB 3.41Å; V169-K213 VanDerWaalsContact CG2-CB 3.41Å; V169-K213 HydrophobicContact CG2-CG 4.13Å; D170-K213 IonicContact OD1-NZ 2.7Å; D170-K213 PolarHBondContact OD1-NZ 2.94Å; D170-K213 IonicContact OD2-NZ 2.71Å; D170-K213 PolarHBondContact OD2-NZ 3Å; K213-C226 HydrophobicContact CD-CB 4.25Å; K213-Q228 VanDerWaalsContact N-CB 3.31Å; K213-Q228 PolarHBondContact O-NE2 3.22Å; K213-V231 VanDerWaalsContact C-CG2 3.44Å; K213-V231 WeakPolarHBondContact O-CB 3.33Å; K213-V231 WeakPolarHBondContact O-CG2 3.29Å
214	V	39.5	Very low	57.8	Low	16 Å²	16	69.4 Å²	69.4	10%	0.097	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-99	164.5	176.4	177	0	0	0	0	115.2	F164 V231	F164-V214 HydrophobicContact CB-CB 4.49Å; F164-V214 HydrophobicContact CB-CG1 4.31Å; F164-V214 HydrophobicContact CB-CG2 3.48Å; F164-V214 VanDerWaalsContact CB-CG2 3.48Å; F164-V214 HydrophobicContact CD1-CG2 3.42Å; F164-V214 VanDerWaalsContact CD1-CG2 3.42Å; F164-V214 HydrophobicContact CG-CG2 3.89Å; F164-V214 WeakPolarHBondContact O-CB 3.43Å; F164-V214 VanDerWaalsContact O-CG1 3.31Å; F164-V214 WeakPolarHBondContact O-CG1 3.44Å; F164-V214 WeakPolarHBondContact O-CG2 3Å; V214-V231 HydrophobicContact CB-CG2 4.36Å; V214-V231 HydrophobicContact CG2-CB 4.39Å; V214-V231 HydrophobicContact CG2-CG1 4.22Å; V214-V231 HydrophobicContact CG2-CG2 3.29Å
215	T	39.7	Very low	55.2	Low	101 Å²	101	67.8 Å²	67.8	62%	0.62	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-55	154.6	-175.4	44.7	0	0	0	0	115.9
216	P	38.5	Very low	52.8	Low	81 Å²	81	66.4 Å²	66.4	53%	0.526	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-63.3	147.8	176.6	-13.3	27.3	0	0	0	112.2	A220	P216-A220 HydrophobicContact CB-CB 3.81Å
217	T	35.2	Very low	50.8	Low	108 Å²	108	68.5 Å²	68.5	66%	0.663	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-63.9	153	165.7	53.6	0	0	0	0	110.3	S219 A220	T217-S219 PolarHBondContact O-N 3.08Å; T217-A220 PolarHBondContact O-N 2.71Å
218	A	46	Very low	50.1	Low	120 Å²	120	68.1 Å²	68.1	99%	0.992	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-1.2	-166.9	0	0	0	0	0	116.7
219	S	36.7	Very low	50.3	Low	105 Å²	105	64.8 Å²	64.8	73%	0.734	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.1	175.2	55.2	0	0	0	0	114.5	T217 S221	T217-S219 PolarHBondContact O-N 3.08Å; S219-S221 PolarHBondContact O-N 2.83Å
220	A	36.5	Very low	50.7	Low	58 Å²	58	61.7 Å²	61.7	48%	0.479	42%	0.417	S	S	.	.			trans	-91.8	75.5	-177.8	0	0	0	0	0	112	P216 T217	P216-A220 HydrophobicContact CB-CB 3.81Å; T217-A220 PolarHBondContact O-N 2.71Å
221	S	36.8	Very low	50.8	Low	110 Å²	110	60.3 Å²	60.3	77%	0.769	41%	0.412	S	S	*	.			trans	-71.6	136.4	159.8	52.2	0	0	0	0	109.5	S219	S219-S221 PolarHBondContact O-N 2.83Å
222	S	32.8	Very low	51.4	Low	127 Å²	127	61.9 Å²	61.9	89%	0.888	42%	0.42	S	S	*	.	S	Bend	trans	73.5	72.1	-178.8	72.2	0	0	0	0	118.6
223	C	34.4	Very low	52.7	Low	112 Å²	112	61 Å²	61	76%	0.757	42%	0.417	S	S	*	.			trans	-149.7	145.4	134.3	-160.8	0	0	0	0	110.5
224	S	37	Very low	54.5	Low	92 Å²	92	61.5 Å²	61.5	64%	0.643	42%	0.418	S	S	*	.			trans	-88.9	130.6	-166.9	-162.8	0	0	0	0	113.1	C226	S224-C226 PolarHBondContact O-N 3.16Å
225	S	37.4	Very low	57	Low	71 Å²	71	63 Å²	63	50%	0.497	43%	0.426	S	S	.	.			trans	45.2	62.9	147.1	59.1	0	0	0	0	119	V227	S225-V227 PolarHBondContact O-N 3.32Å
226	C	38.3	Very low	59.5	Low	71 Å²	71	60.3 Å²	60.3	48%	0.48	41%	0.407	S	S	.	.			trans	-89.1	79.9	164	-65.4	0	0	0	0	111.1	K213 S224 Q228	K213-C226 HydrophobicContact CD-CB 4.25Å; S224-C226 PolarHBondContact O-N 3.16Å; C226-Q228 PolarHBondContact O-NE2 3.03Å
227	V	48.7	Very low	62.3	Low	45 Å²	45	56.5 Å²	56.5	27%	0.273	38%	0.382	S	S	.	.			trans	-77.3	137.5	171	170.9	0	0	0	0	108.1	L183 G186 K187 S225 D232	L183-V227 WeakPolarHBondContact CD1-O 3.24Å; G186-V227 CarbonylContact C-O 3.16Å; G186-V227 WeakPolarHBondContact CA-O 3.41Å; G186-V227 CarbonylContact O-C 3.48Å; G186-V227 VanDerWaalsContact O-CB 3.22Å; G186-V227 WeakPolarHBondContact O-CB 3.19Å; G186-V227 WeakPolarHBondContact O-CG1 3.29Å; K187-V227 HydrophobicContact CG-CG1 4.25Å; S225-V227 PolarHBondContact O-N 3.32Å; V227-D232 VanDerWaalsContact CG1-CG 3.47Å; V227-D232 WeakPolarHBondContact CG1-OD2 3.43Å
228	Q	73.4	Confident	65.1	Low	8 Å²	8	56.8 Å²	56.8	4%	0.037	37%	0.371	C	S	.	.			trans	-159.5	136.7	-164	-89.8	152.9	129.2	0	0	113.8	L183 K209 F212 K213 C226 L230 V231 D232	L183-Q228 HydrophobicContact CD1-CG 4.33Å; K209-Q228 PolarHBondContact O-OE1 3.32Å; K209-Q228 VanDerWaalsContact O-OE1 3.11Å; F212-Q228 WeakPolarHBondContact O-CB 3.46Å; F212-Q228 VanDerWaalsContact O-CD 3.31Å; F212-Q228 WeakPolarHBondContact O-CG 3.44Å; F212-Q228 PolarHBondContact O-OE1 2.95Å; K213-Q228 VanDerWaalsContact N-CB 3.31Å; K213-Q228 PolarHBondContact O-NE2 3.22Å; C226-Q228 PolarHBondContact O-NE2 3.03Å; Q228-L230 PolarHBondContact O-N 3.28Å; Q228-V231 PolarHBondContact O-N 2.91Å; Q228-D232 WeakPolarHBondContact CA-OD2 3.25Å; Q228-D232 PolarHBondContact N-OD2 2.88Å; Q228-D232 VanDerWaalsContact O-CG 3.27Å; Q228-D232 PolarHBondContact O-N 2.69Å
229	I	86.9	Confident	67.5	Low	0 Å²	0	59.5 Å²	59.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-52.6	-59.2	-157.7	-59	172.7	0	0	0	114.8	V188 F192 L206 V231 D232 I233 F301 F304 L308	V188-I229 HydrophobicContact CG2-CG1 4.19Å; F192-I229 HydrophobicContact CE1-CD1 3.92Å; F192-I229 HydrophobicContact CZ-CD1 3.9Å; L206-I229 HydrophobicContact CD2-CD1 3.72Å; I229-V231 PolarHBondContact O-N 3.15Å; I229-D232 PolarHBondContact O-N 3.07Å; I229-I233 WeakPolarHBondContact O-CB 3.46Å; I229-I233 VanDerWaalsContact O-CG2 3.24Å; I229-I233 WeakPolarHBondContact O-CG2 3.24Å; I229-I233 PolarHBondContact O-N 2.85Å; I229-F301 HydrophobicContact CD1-CD1 4.24Å; I229-F301 HydrophobicContact CG2-CD1 4.03Å; I229-F301 HydrophobicContact CG2-CE1 4.36Å; I229-F304 HydrophobicContact CG2-CB 3.84Å; I229-L308 HydrophobicContact CB-CD1 4.31Å; I229-L308 HydrophobicContact CG1-CD1 4.49Å; I229-L308 HydrophobicContact CG2-CD1 4Å
230	L	89	Confident	70.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-24.9	-175.1	-71	-165.9	0	0	0	113.3	F164 Q228 I233 Y234 F301 F304 M344 M347 F348 V351	F164-L230 HydrophobicContact CE1-CB 4.31Å; Q228-L230 PolarHBondContact O-N 3.28Å; L230-I233 WeakPolarHBondContact O-CG2 3.46Å; L230-Y234 VanDerWaalsContact O-CB 3.26Å; L230-Y234 WeakPolarHBondContact O-CB 3.25Å; L230-Y234 PolarHBondContact O-N 2.85Å; L230-F301 HydrophobicContact CD2-CE1 3.94Å; L230-F301 HydrophobicContact CG-CE1 4.11Å; L230-F304 HydrophobicContact CD2-CD2 3.79Å; L230-F304 HydrophobicContact CD2-CE2 3.74Å; L230-M344 HydrophobicContact CD1-CG 4.49Å; L230-M344 HydrophobicContact CD1-SD 3.34Å; L230-M344 WeakPolarHBondContact CD1-SD 3.35Å; L230-M344 HydrophobicContact CG-SD 4.41Å; L230-M347 HydrophobicContact CB-CE 4.08Å; L230-M347 HydrophobicContact CD1-CB 3.91Å; L230-M347 HydrophobicContact CD1-CE 4.11Å; L230-F348 HydrophobicContact CD1-CD2 4.24Å; L230-F348 HydrophobicContact CD1-CE2 4.17Å; L230-F348 HydrophobicContact CD1-CG 4.48Å; L230-F348 HydrophobicContact CD1-CZ 4.35Å; L230-F348 HydrophobicContact CD2-CD1 3.97Å; L230-F348 HydrophobicContact CD2-CE1 3.57Å; L230-F348 HydrophobicContact CD2-CE2 4.47Å; L230-F348 HydrophobicContact CD2-CZ 3.86Å; L230-V351 HydrophobicContact CD2-CG2 4.4Å
231	V	85.3	Confident	73.4	Confident	9 Å²	9	58.7 Å²	58.7	6%	0.055	34%	0.335	C	S	.	.	H	α-helix	trans	-87.4	-40.9	-177.2	173.2	0	0	0	0	111.2	F164 K213 V214 Q228 I229 Y234 N235 M347	F164-V231 HydrophobicContact CD1-CG2 3.67Å; F164-V231 HydrophobicContact CE1-CG2 3.68Å; K213-V231 VanDerWaalsContact C-CG2 3.44Å; K213-V231 WeakPolarHBondContact O-CB 3.33Å; K213-V231 WeakPolarHBondContact O-CG2 3.29Å; V214-V231 HydrophobicContact CB-CG2 4.36Å; V214-V231 HydrophobicContact CG2-CB 4.39Å; V214-V231 HydrophobicContact CG2-CG1 4.22Å; V214-V231 HydrophobicContact CG2-CG2 3.29Å; Q228-V231 PolarHBondContact O-N 2.91Å; I229-V231 PolarHBondContact O-N 3.15Å; V231-Y234 PolarHBondContact O-N 3.33Å; V231-N235 WeakPolarHBondContact CG1-ND2 3.38Å; V231-N235 WeakPolarHBondContact O-CB 3.24Å; V231-N235 PolarHBondContact O-N 2.99Å; V231-N235 PolarHBondContact O-ND2 3.35Å; V231-N235 VanDerWaalsContact O-ND2 3.08Å; V231-M347 HydrophobicContact CG2-CE 4.43Å
232	D	87.7	Confident	76.3	Confident	34 Å²	34	54 Å²	54	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-41.2	174.9	-55.3	-40.8	0	0	0	111	V227 Q228 I229 N235 M236 L308	V227-D232 VanDerWaalsContact CG1-CG 3.47Å; V227-D232 WeakPolarHBondContact CG1-OD2 3.43Å; Q228-D232 WeakPolarHBondContact CA-OD2 3.25Å; Q228-D232 PolarHBondContact N-OD2 2.88Å; Q228-D232 VanDerWaalsContact O-CG 3.27Å; Q228-D232 PolarHBondContact O-N 2.69Å; I229-D232 PolarHBondContact O-N 3.07Å; D232-N235 CarbonylContact O-C 3.48Å; D232-N235 PolarHBondContact O-N 3.41Å; D232-M236 WeakPolarHBondContact O-CB 3.45Å; D232-M236 PolarHBondContact O-N 2.74Å; D232-L308 HydrophobicContact CB-CD1 3.95Å; D232-L308 HydrophobicContact CB-CD2 3.52Å; D232-L308 HydrophobicContact CB-CG 4.4Å
233	I	93	Very high	79.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-42.1	178.4	-163.1	69.7	0	0	0	109.9	I229 L230 N235 M236 M237 F304 K307 L308 V351	I229-I233 WeakPolarHBondContact O-CB 3.46Å; I229-I233 VanDerWaalsContact O-CG2 3.24Å; I229-I233 WeakPolarHBondContact O-CG2 3.24Å; I229-I233 PolarHBondContact O-N 2.85Å; L230-I233 WeakPolarHBondContact O-CG2 3.46Å; I233-N235 PolarHBondContact O-N 3.47Å; I233-M236 PolarHBondContact O-N 2.7Å; I233-M237 HydrophobicContact CD1-CE 3.78Å; I233-M237 HydrophobicContact CD1-CG 4.49Å; I233-M237 HydrophobicContact CD1-SD 4.44Å; I233-M237 HydrophobicContact CG1-CE 4.42Å; I233-M237 HydrophobicContact CG1-CG 4.16Å; I233-M237 WeakPolarHBondContact O-CB 3.28Å; I233-M237 VanDerWaalsContact O-CG 3.26Å; I233-M237 WeakPolarHBondContact O-CG 3.4Å; I233-M237 PolarHBondContact O-N 3.41Å; I233-F304 HydrophobicContact CB-CB 4.49Å; I233-F304 HydrophobicContact CB-CG 4.41Å; I233-F304 HydrophobicContact CD1-CB 4.41Å; I233-F304 HydrophobicContact CD1-CD1 4.38Å; I233-F304 HydrophobicContact CG1-CB 4.2Å; I233-F304 HydrophobicContact CG1-CD1 3.92Å; I233-F304 HydrophobicContact CG1-CD2 4.35Å; I233-F304 HydrophobicContact CG1-CE1 4.36Å; I233-F304 HydrophobicContact CG1-CG 3.91Å; I233-F304 HydrophobicContact CG2-CD2 3.84Å; I233-F304 HydrophobicContact CG2-CE2 4.09Å; I233-F304 HydrophobicContact CG2-CG 4.21Å; I233-K307 HydrophobicContact CD1-CB 3.83Å; I233-K307 HydrophobicContact CD1-CG 3.51Å; I233-L308 HydrophobicContact CB-CD2 4.35Å; I233-L308 HydrophobicContact CB-CG 4.49Å; I233-L308 HydrophobicContact CD1-CD2 4.28Å; I233-L308 HydrophobicContact CD1-CG 4.27Å; I233-V351 HydrophobicContact CG1-CG1 4.37Å; I233-V351 HydrophobicContact CG2-CG1 3.74Å; I233-V351 HydrophobicContact CG2-CG2 3.88Å
234	Y	92.2	Very high	82.5	Confident	23 Å²	23	43.7 Å²	43.7	9%	0.09	23%	0.229	C	C	.	.	H	α-helix	trans	-61.9	-44.5	172.8	-177	-121.7	0	0	0	112.3	F164 L230 V231 M236 R238 E350 A354	F164-Y234 AromaticContact CD2-CD1 3.47Å; F164-Y234 HydrophobicContact CD2-CD1 3.47Å; F164-Y234 VanDerWaalsContact CD2-CD1 3.47Å; F164-Y234 HydrophobicContact CD2-CD2 4.49Å; F164-Y234 AromaticContact CD2-CE1 3.33Å; F164-Y234 HydrophobicContact CD2-CE1 3.33Å; F164-Y234 HydrophobicContact CD2-CE2 4.39Å; F164-Y234 HydrophobicContact CD2-CG 4.05Å; F164-Y234 AromaticContact CD2-CZ 3.83Å; F164-Y234 AromaticContact CE2-CD1 3.24Å; F164-Y234 HydrophobicContact CE2-CD1 3.24Å; F164-Y234 AromaticContact CE2-CD2 3.64Å; F164-Y234 HydrophobicContact CE2-CD2 3.64Å; F164-Y234 AromaticContact CE2-CE1 3.46Å; F164-Y234 HydrophobicContact CE2-CE1 3.46Å; F164-Y234 VanDerWaalsContact CE2-CE1 3.46Å; F164-Y234 AromaticContact CE2-CE2 3.84Å; F164-Y234 HydrophobicContact CE2-CE2 3.84Å; F164-Y234 AromaticContact CE2-CG 3.32Å; F164-Y234 HydrophobicContact CE2-CG 3.32Å; F164-Y234 AromaticContact CE2-CZ 3.75Å; F164-Y234 HydrophobicContact CG-CD1 4.26Å; F164-Y234 HydrophobicContact CG-CE1 4.31Å; F164-Y234 AromaticContact CZ-CD1 3.87Å; F164-Y234 HydrophobicContact CZ-CD1 3.87Å; F164-Y234 HydrophobicContact CZ-CD2 4.24Å; F164-Y234 HydrophobicContact CZ-CE1 4.49Å; F164-Y234 AromaticContact CZ-CG 3.71Å; F164-Y234 HydrophobicContact CZ-CG 3.71Å; L230-Y234 VanDerWaalsContact O-CB 3.26Å; L230-Y234 WeakPolarHBondContact O-CB 3.25Å; L230-Y234 PolarHBondContact O-N 2.85Å; V231-Y234 PolarHBondContact O-N 3.33Å; Y234-M236 PolarHBondContact O-N 2.97Å; Y234-R238 VanDerWaalsContact CD1-CZ 3.46Å; Y234-R238 HydrophobicContact CD2-CG 4.18Å; Y234-R238 VanDerWaalsContact CE1-NE 3.29Å; Y234-R238 HydrophobicContact CE2-CG 4.08Å; Y234-R238 WeakPolarHBondContact O-CB 3.38Å; Y234-R238 VanDerWaalsContact O-CG 3.25Å; Y234-R238 WeakPolarHBondContact O-CG 3.42Å; Y234-R238 PolarHBondContact O-N 3.49Å; Y234-E350 HydrophobicContact CD2-CB 4.45Å; Y234-E350 HydrophobicContact CE2-CB 3.93Å; Y234-E350 WeakPolarHBondContact CE2-O 3.49Å; Y234-E350 PolarHBondContact OH-OE2 2.83Å; Y234-A354 HydrophobicContact CD2-CB 4.02Å; Y234-A354 HydrophobicContact CE2-CB 4.28Å
235	N	91	Very high	85.4	Confident	49 Å²	49	42.2 Å²	42.2	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-65.5	-25.4	176.6	-74.8	-28.5	0	0	0	113.6	V231 D232 I233 R238 K239	V231-N235 WeakPolarHBondContact CG1-ND2 3.38Å; V231-N235 WeakPolarHBondContact O-CB 3.24Å; V231-N235 PolarHBondContact O-N 2.99Å; V231-N235 PolarHBondContact O-ND2 3.35Å; V231-N235 VanDerWaalsContact O-ND2 3.08Å; D232-N235 CarbonylContact O-C 3.48Å; D232-N235 PolarHBondContact O-N 3.41Å; I233-N235 PolarHBondContact O-N 3.47Å; N235-R238 PolarHBondContact OD1-NH2 3.13Å; N235-K239 VanDerWaalsContact O-CD 3.27Å; N235-K239 WeakPolarHBondContact O-CD 3.47Å; N235-K239 WeakPolarHBondContact O-CE 3.37Å; N235-K239 WeakPolarHBondContact O-CG 3.42Å
236	M	93.7	Very high	88.3	Confident	44 Å²	44	39.1 Å²	39.1	22%	0.217	20%	0.196	C	C	.	.	H	α-helix	trans	-83.1	-54.2	175.1	-174.3	-178.9	-70.7	0	0	110.5	D232 I233 Y234 R238 K239 E240 K307 L308 P311	D232-M236 WeakPolarHBondContact O-CB 3.45Å; D232-M236 PolarHBondContact O-N 2.74Å; I233-M236 PolarHBondContact O-N 2.7Å; Y234-M236 PolarHBondContact O-N 2.97Å; M236-R238 VanDerWaalsContact C-N 3.26Å; M236-R238 PolarHBondContact O-N 3.02Å; M236-K239 WeakPolarHBondContact O-CB 3.39Å; M236-K239 PolarHBondContact O-N 3.06Å; M236-E240 PolarHBondContact O-N 3.37Å; M236-K307 HydrophobicContact SD-CD 4.3Å; M236-K307 HydrophobicContact SD-CG 4.05Å; M236-L308 HydrophobicContact CE-CD2 3.67Å; M236-L308 HydrophobicContact SD-CD2 4.3Å; M236-P311 HydrophobicContact CE-CB 3.73Å; M236-P311 HydrophobicContact CE-CG 4.45Å; M236-P311 HydrophobicContact SD-CB 3.82Å
237	M	96.4	Very high	91.2	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-59.9	-35.2	-178.2	-65.9	-46.2	87.8	0	0	112	I233 K239 E240 K307 A354 L355 R388	I233-M237 HydrophobicContact CD1-CE 3.78Å; I233-M237 HydrophobicContact CD1-CG 4.49Å; I233-M237 HydrophobicContact CD1-SD 4.44Å; I233-M237 HydrophobicContact CG1-CE 4.42Å; I233-M237 HydrophobicContact CG1-CG 4.16Å; I233-M237 WeakPolarHBondContact O-CB 3.28Å; I233-M237 VanDerWaalsContact O-CG 3.26Å; I233-M237 WeakPolarHBondContact O-CG 3.4Å; I233-M237 PolarHBondContact O-N 3.41Å; M237-K239 PolarHBondContact O-N 3.28Å; M237-E240 HydrophobicContact CE-CG 4.16Å; M237-E240 PolarHBondContact O-N 3.32Å; M237-K307 HydrophobicContact CE-CD 4.23Å; M237-K307 HydrophobicContact CE-CG 3.86Å; M237-A354 HydrophobicContact CB-CB 3.65Å; M237-L355 HydrophobicContact CG-CD2 4.08Å; M237-L355 HydrophobicContact SD-CD2 3.99Å; M237-R388 PolarHBondContact O-NH2 2.91Å
238	R	94.5	Very high	93.5	Very high	114 Å²	114	40.1 Å²	40.1	43%	0.43	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.6	173.7	-74.5	-170	-62.2	177.6	3.1	115	Y234 N235 M236 A354 F389	Y234-R238 VanDerWaalsContact CD1-CZ 3.46Å; Y234-R238 HydrophobicContact CD2-CG 4.18Å; Y234-R238 VanDerWaalsContact CE1-NE 3.29Å; Y234-R238 HydrophobicContact CE2-CG 4.08Å; Y234-R238 WeakPolarHBondContact O-CB 3.38Å; Y234-R238 VanDerWaalsContact O-CG 3.25Å; Y234-R238 WeakPolarHBondContact O-CG 3.42Å; Y234-R238 PolarHBondContact O-N 3.49Å; N235-R238 PolarHBondContact OD1-NH2 3.13Å; M236-R238 VanDerWaalsContact C-N 3.26Å; M236-R238 PolarHBondContact O-N 3.02Å; R238-A354 HydrophobicContact CG-CB 4.03Å; R238-F389 HydrophobicContact CB-CE1 4.36Å; R238-F389 HydrophobicContact CG-CD1 4.5Å; R238-F389 HydrophobicContact CG-CE1 3.91Å
239	K	96.5	Very high	94.6	Very high	176 Å²	176	42.6 Å²	42.6	77%	0.765	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.6	177.4	-62.1	170.2	-173.3	166.2	0	112.9	N235 M236 M237	N235-K239 VanDerWaalsContact O-CD 3.27Å; N235-K239 WeakPolarHBondContact O-CD 3.47Å; N235-K239 WeakPolarHBondContact O-CE 3.37Å; N235-K239 WeakPolarHBondContact O-CG 3.42Å; M236-K239 WeakPolarHBondContact O-CB 3.39Å; M236-K239 PolarHBondContact O-N 3.06Å; M237-K239 PolarHBondContact O-N 3.28Å
240	E	97.4	Very high	95	Very high	48 Å²	48	50 Å²	50	22%	0.224	25%	0.246	C	C	.	.	S	Bend	trans	-72	155.6	175.7	-62.5	-78	-154.6	0	0	110.6	M236 M237 V244 K307 P356 R388	M236-E240 PolarHBondContact O-N 3.37Å; M237-E240 HydrophobicContact CE-CG 4.16Å; M237-E240 PolarHBondContact O-N 3.32Å; E240-V244 HydrophobicContact CB-CG2 4.13Å; E240-K307 WeakPolarHBondContact OE1-CE 3.24Å; E240-K307 IonicContact OE1-NZ 2.67Å; E240-K307 PolarHBondContact OE1-NZ 2.9Å; E240-P356 HydrophobicContact CB-CG 4.1Å; E240-R388 PolarHBondContact O-NH1 2.98Å; E240-R388 VanDerWaalsContact O-NH1 3.14Å; E240-R388 PolarHBondContact O-NH2 3.36Å
241	E	97.9	Very high	95.2	Very high	99 Å²	99	55 Å²	55	46%	0.463	27%	0.273	S	S	.	.			trans	-71.4	164	172.4	-69.5	-170.3	135.3	0	0	112	V244 Q384 R388	E241-V244 HydrophobicContact CB-CG2 4.32Å; E241-Q384 PolarHBondContact OE1-NE2 2.79Å; E241-R388 VanDerWaalsContact C-NH1 3.26Å; E241-R388 PolarHBondContact O-NH1 2.86Å
242	T	98.5	Very high	95.8	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	29%	0.293	C	S	.	.	S	Bend	trans	-74.6	-37.4	177.5	-68.5	0	0	0	0	111.2	L357 A358 I383 I386 R388	T242-L357 HydrophobicContact CG2-CB 4.11Å; T242-L357 HydrophobicContact CG2-CD1 3.86Å; T242-L357 HydrophobicContact CG2-CG 4Å; T242-L357 PolarHBondContact O-N 3.21Å; T242-A358 PolarHBondContact O-N 3.06Å; T242-I383 WeakPolarHBondContact CG2-O 3.45Å; T242-I386 HydrophobicContact CG2-CB 4.11Å; T242-I386 PolarHBondContact OG1-O 2.66Å; T242-R388 HydrophobicContact CG2-CB 4.48Å; T242-R388 VanDerWaalsContact N-NH1 3.2Å; T242-R388 PolarHBondContact OG1-NH1 2.81Å
243	M	98.7	Very high	96.2	Very high	14 Å²	14	59.9 Å²	59.9	7%	0.069	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.2	164.2	179.9	-173.5	65.2	0	0	108.5	A358 L360 L366 L380 I383 Q384	M243-A358 CarbonylContact C-O 3.5Å; M243-A358 VanDerWaalsContact CA-O 3.29Å; M243-A358 WeakPolarHBondContact CA-O 3.18Å; M243-A358 HydrophobicContact CB-CB 4.23Å; M243-A358 HydrophobicContact CG-CB 3.96Å; M243-L360 HydrophobicContact CE-CB 4.32Å; M243-L360 HydrophobicContact CE-CD2 3.94Å; M243-L360 HydrophobicContact CG-CB 4.08Å; M243-L360 HydrophobicContact SD-CB 3.93Å; M243-L360 HydrophobicContact SD-CD2 4.35Å; M243-L366 HydrophobicContact CG-CD1 4.32Å; M243-L366 HydrophobicContact SD-CD1 3.77Å; M243-L380 HydrophobicContact CE-CB 4.01Å; M243-L380 HydrophobicContact SD-CB 4.27Å; M243-L380 HydrophobicContact SD-CD2 3.97Å; M243-I383 HydrophobicContact CB-CG2 4.23Å; M243-Q384 PolarHBondContact O-OE1 3.42Å
244	V	98.7	Very high	96.5	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	125.2	-176.1	173.6	0	0	0	0	110.5	E240 E241 F315 P356 A358 H359 L360	E240-V244 HydrophobicContact CB-CG2 4.13Å; E241-V244 HydrophobicContact CB-CG2 4.32Å; V244-F315 HydrophobicContact CG1-CD1 4.11Å; V244-F315 HydrophobicContact CG1-CE1 3.98Å; V244-P356 HydrophobicContact CG2-CB 3.98Å; V244-P356 HydrophobicContact CG2-CG 3.75Å; V244-A358 PolarHBondContact N-O 2.75Å; V244-H359 CarbonylContact O-C 3.43Å; V244-H359 VanDerWaalsContact O-CA 3.29Å; V244-H359 WeakPolarHBondContact O-CA 3.49Å; V244-L360 PolarHBondContact O-N 2.89Å
245	S	98.4	Very high	96.8	Very high	60 Å²	60	59 Å²	59	42%	0.42	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	131.8	174.3	-64.6	0	0	0	0	111.6	L360	S245-L360 WeakPolarHBondContact CA-O 3.45Å
246	I	98.6	Very high	97.2	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.7	179.1	-56.7	-176	0	0	0	109.1	V248 F254 F315 H359 L360 I361 N362	I246-V248 HydrophobicContact CG2-CG2 4.25Å; I246-F254 HydrophobicContact CD1-CE1 4.39Å; I246-F254 HydrophobicContact CD1-CE2 4.23Å; I246-F254 HydrophobicContact CD1-CZ 3.66Å; I246-F254 HydrophobicContact CG2-CD2 4.17Å; I246-F254 HydrophobicContact CG2-CE2 3.67Å; I246-F254 HydrophobicContact CG2-CZ 4.05Å; I246-F315 HydrophobicContact CD1-CB 4.22Å; I246-F315 HydrophobicContact CD1-CD1 3.71Å; I246-F315 HydrophobicContact CD1-CD2 3.77Å; I246-F315 HydrophobicContact CD1-CE1 3.93Å; I246-F315 HydrophobicContact CD1-CE2 4Å; I246-F315 HydrophobicContact CD1-CG 3.62Å; I246-F315 HydrophobicContact CD1-CZ 4.07Å; I246-F315 HydrophobicContact CG1-CD1 4.02Å; I246-F315 HydrophobicContact CG1-CE1 3.78Å; I246-F315 HydrophobicContact CG1-CE2 4.33Å; I246-F315 HydrophobicContact CG1-CG 4.4Å; I246-F315 HydrophobicContact CG1-CZ 3.94Å; I246-F315 HydrophobicContact CG2-CE2 4.3Å; I246-F315 HydrophobicContact CG2-CZ 4.31Å; I246-H359 HydrophobicContact CD1-CB 4.02Å; I246-L360 PolarHBondContact N-O 3.47Å; I246-I361 HydrophobicContact CB-CG1 4.23Å; I246-I361 HydrophobicContact CD1-CG1 4.36Å; I246-I361 CarbonylContact O-C 3.55Å; I246-I361 WeakPolarHBondContact O-CA 3.27Å; I246-N362 PolarHBondContact O-N 2.88Å
247	E	98	Very high	97.4	Very high	126 Å²	126	54.6 Å²	54.6	59%	0.589	27%	0.267	S	S	*	.			trans	-111.1	109.4	175.1	-64.6	-67.4	169.6	0	0	110.1
248	V	98	Very high	97.5	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.067	27%	0.267	C	S	.	.			trans	-91.4	112.7	174.7	-174.7	0	0	0	0	108.4	I246 F254 I361 N362 G483	I246-V248 HydrophobicContact CG2-CG2 4.25Å; V248-F254 HydrophobicContact CB-CB 4.41Å; V248-F254 HydrophobicContact CG1-CB 3.9Å; V248-F254 HydrophobicContact CG2-CB 3.53Å; V248-F254 HydrophobicContact CG2-CD2 3.82Å; V248-F254 HydrophobicContact CG2-CG 3.73Å; V248-I361 HydrophobicContact CG2-CG2 3.68Å; V248-N362 WeakPolarHBondContact CB-OD1 3.2Å; V248-N362 PolarHBondContact N-OD1 3.45Å; V248-N362 PolarHBondContact O-ND2 2.89Å; V248-G483 WeakPolarHBondContact O-CA 3.28Å
249	A	96.8	Very high	97.7	Very high	61 Å²	61	49.1 Å²	49.1	50%	0.504	25%	0.247	S	C	.	.			trans	-65.3	154.2	-179.3	0	0	0	0	0	112.5	N251 E252 G483	A249-N251 PolarHBondContact O-N 2.93Å; A249-E252 HydrophobicContact CB-CB 4.37Å; A249-E252 HydrophobicContact CB-CG 3.97Å; A249-E252 WeakPolarHBondContact O-CB 3.34Å; A249-E252 PolarHBondContact O-N 3.28Å; A249-E252 VanDerWaalsContact O-N 3.1Å; A249-G483 WeakPolarHBondContact O-CA 3.37Å
250	K	95.7	Very high	97.8	Very high	156 Å²	156	40.8 Å²	40.8	68%	0.678	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	135.8	177.4	-173.5	177.2	-178.6	175.8	0	110.8	E252 D484	K250-E252 PolarHBondContact O-N 3.35Å; K250-E252 VanDerWaalsContact O-N 3.16Å; K250-D484 HydrophobicContact CG-CB 4.02Å
251	N	92.5	Very high	97.8	Very high	104 Å²	104	38.7 Å²	38.7	56%	0.556	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	-16.4	-174.5	-48.4	-38.5	0	0	0	116	A249 R482	A249-N251 PolarHBondContact O-N 2.93Å; N251-R482 PolarHBondContact O-NH1 3.13Å
252	E	97.3	Very high	97.7	Very high	102 Å²	102	34 Å²	34	48%	0.477	18%	0.178	S	C	.	.			trans	-71.4	152	171.5	-64.5	-57.7	154.6	0	0	110.9	A249 K250 R482 G483	A249-E252 HydrophobicContact CB-CB 4.37Å; A249-E252 HydrophobicContact CB-CG 3.97Å; A249-E252 WeakPolarHBondContact O-CB 3.34Å; A249-E252 PolarHBondContact O-N 3.28Å; A249-E252 VanDerWaalsContact O-N 3.1Å; K250-E252 PolarHBondContact O-N 3.35Å; K250-E252 VanDerWaalsContact O-N 3.16Å; E252-R482 VanDerWaalsContact O-CA 3.25Å; E252-R482 WeakPolarHBondContact O-CA 3.19Å; E252-R482 WeakPolarHBondContact O-CB 3.19Å; E252-G483 PolarHBondContact O-N 3.44Å
253	K	96.7	Very high	97.5	Very high	44 Å²	44	34.1 Å²	34.1	19%	0.191	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152	174.4	68.8	164.3	-173.4	161.9	0	110.9	N274 N281 P282 V480 I481 R482	K253-N274 PolarHBondContact NZ-O 3.09Å; K253-N274 PolarHBondContact NZ-OD1 3.35Å; K253-N281 WeakPolarHBondContact CE-OD1 3.33Å; K253-N281 PolarHBondContact NZ-OD1 3.36Å; K253-P282 WeakPolarHBondContact O-CD 3.3Å; K253-P282 VanDerWaalsContact O-CG 3.3Å; K253-P282 WeakPolarHBondContact O-CG 3.3Å; K253-V480 HydrophobicContact CB-CG1 3.94Å; K253-V480 HydrophobicContact CD-CG1 4.2Å; K253-I481 WeakPolarHBondContact CA-O 3.4Å; K253-R482 HydrophobicContact CB-CG 4.21Å
254	F	98.7	Very high	97.5	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.4	171.5	-171.3	-83.9	0	0	0	109.6	I246 V248 I256 P282 L284 F315 I361 V480 I481	I246-F254 HydrophobicContact CD1-CE1 4.39Å; I246-F254 HydrophobicContact CD1-CE2 4.23Å; I246-F254 HydrophobicContact CD1-CZ 3.66Å; I246-F254 HydrophobicContact CG2-CD2 4.17Å; I246-F254 HydrophobicContact CG2-CE2 3.67Å; I246-F254 HydrophobicContact CG2-CZ 4.05Å; V248-F254 HydrophobicContact CB-CB 4.41Å; V248-F254 HydrophobicContact CG1-CB 3.9Å; V248-F254 HydrophobicContact CG2-CB 3.53Å; V248-F254 HydrophobicContact CG2-CD2 3.82Å; V248-F254 HydrophobicContact CG2-CG 3.73Å; F254-I256 HydrophobicContact CD1-CD1 3.97Å; F254-I256 HydrophobicContact CD1-CG1 4.15Å; F254-I256 HydrophobicContact CE1-CD1 4.4Å; F254-I256 HydrophobicContact CE1-CG1 4.09Å; F254-P282 HydrophobicContact CB-CG 4.37Å; F254-P282 HydrophobicContact CD2-CB 3.64Å; F254-P282 HydrophobicContact CD2-CG 3.56Å; F254-P282 HydrophobicContact CE2-CB 3.79Å; F254-P282 HydrophobicContact CE2-CG 4.24Å; F254-P282 HydrophobicContact CG-CG 4.31Å; F254-L284 HydrophobicContact CE1-CB 3.65Å; F254-L284 HydrophobicContact CZ-CB 3.83Å; F254-F315 AromaticContact CE2-CD2 3.88Å; F254-F315 HydrophobicContact CE2-CD2 3.88Å; F254-F315 AromaticContact CE2-CE2 3.84Å; F254-F315 HydrophobicContact CE2-CE2 3.84Å; F254-F315 AromaticContact CZ-CD2 3.8Å; F254-F315 HydrophobicContact CZ-CD2 3.8Å; F254-F315 HydrophobicContact CZ-CE2 4.2Å; F254-I361 HydrophobicContact CD1-CD1 4.15Å; F254-I361 HydrophobicContact CE1-CD1 3.99Å; F254-V480 WeakPolarHBondContact O-CA 3.39Å; F254-I481 HydrophobicContact CB-CD1 4.31Å; F254-I481 HydrophobicContact CB-CG1 3.93Å; F254-I481 HydrophobicContact CD1-CD1 4.38Å; F254-I481 HydrophobicContact CD1-CG1 4.5Å; F254-I481 PolarHBondContact N-O 3.18Å; F254-I481 WeakPolarHBondContact O-CG1 3.43Å; F254-I481 PolarHBondContact O-N 3.08Å
255	T	98.8	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.2	-176.3	-48.6	0	0	0	0	110.8	N274 P282 Y283 L284 F478 I479 V480	T255-N274 WeakPolarHBondContact CG2-ND2 3.5Å; T255-N274 PolarHBondContact OG1-ND2 2.71Å; T255-P282 PolarHBondContact N-O 3.47Å; T255-Y283 HydrophobicContact CG2-CD1 3.71Å; T255-Y283 HydrophobicContact CG2-CE1 3.55Å; T255-Y283 HydrophobicContact CG2-CG 4.48Å; T255-Y283 CarbonylContact O-C 3.45Å; T255-Y283 WeakPolarHBondContact O-CA 3.28Å; T255-L284 PolarHBondContact O-N 3.12Å; T255-F478 HydrophobicContact CG2-CB 4.18Å; T255-F478 HydrophobicContact CG2-CD2 3.89Å; T255-F478 HydrophobicContact CG2-CG 4.27Å; T255-I479 CarbonylContact C-O 3.57Å; T255-I479 VanDerWaalsContact CA-O 3.27Å; T255-I479 WeakPolarHBondContact CA-O 3.48Å; T255-I479 WeakPolarHBondContact CG2-O 3.25Å; T255-V480 HydrophobicContact CG2-CG2 4.47Å
256	I	98.9	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.9	169.5	-51	87.9	0	0	0	108.6	F254 L284 N286 I361 V367 I441 I479 I481	F254-I256 HydrophobicContact CD1-CD1 3.97Å; F254-I256 HydrophobicContact CD1-CG1 4.15Å; F254-I256 HydrophobicContact CE1-CD1 4.4Å; F254-I256 HydrophobicContact CE1-CG1 4.09Å; I256-L284 WeakPolarHBondContact CA-O 3.43Å; I256-L284 HydrophobicContact CG1-CB 4.45Å; I256-L284 HydrophobicContact CG2-CB 4.42Å; I256-L284 HydrophobicContact CG2-CD2 4.22Å; I256-L284 HydrophobicContact CG2-CG 4.28Å; I256-N286 HydrophobicContact CG2-CB 4.47Å; I256-I361 HydrophobicContact CD1-CD1 4.26Å; I256-I361 HydrophobicContact CG1-CD1 4.19Å; I256-V367 HydrophobicContact CG2-CG1 4.25Å; I256-I441 HydrophobicContact CD1-CD1 4.1Å; I256-I441 HydrophobicContact CG1-CD1 4.27Å; I256-I441 HydrophobicContact CG2-CG2 4.27Å; I256-I479 HydrophobicContact CB-CB 4.28Å; I256-I479 HydrophobicContact CD1-CB 4.31Å; I256-I479 HydrophobicContact CD1-CG2 4.3Å; I256-I479 PolarHBondContact N-O 3.35Å; I256-I479 PolarHBondContact O-N 2.94Å; I256-I481 HydrophobicContact CD1-CD1 3.98Å; I256-I481 HydrophobicContact CD1-CG1 3.94Å; I256-I481 HydrophobicContact CD1-CG2 4.4Å
257	C	98.9	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	136.4	170.7	-58.9	0	0	0	0	108.6	L284 F285 N286 S464	C257-L284 PolarHBondContact N-O 3.46Å; C257-F285 HydrophobicContact CB-CD1 3.61Å; C257-F285 HydrophobicContact CB-CE1 3.84Å; C257-F285 HydrophobicContact CB-CG 4.37Å; C257-N286 WeakPolarHBondContact O-CB 3.32Å; C257-N286 PolarHBondContact O-N 3.25Å; C257-S464 WeakPolarHBondContact CB-OG 3.41Å
258	G	98.7	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.135	C	C	.	.			trans	-84.1	-155.6	163.2	0	0	0	0	0	112.1	S443 V462 S464	G258-S443 WeakPolarHBondContact CA-OG 3.28Å; G258-V462 WeakPolarHBondContact CA-O 3.45Å; G258-S464 WeakPolarHBondContact CA-OG 3.48Å; G258-S464 PolarHBondContact N-OG 2.99Å; G258-S464 WeakPolarHBondContact O-CB 3.47Å; G258-S464 PolarHBondContact O-OG 3.31Å
259	D	98.7	Very high	97.3	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.136	C	C	.	.	B	Isolated β-bridge	trans	-48.7	138.2	-173.2	-49.1	2.1	0	0	0	112.8	H261 D288 H369 S443 H444 F463 S464 A465	D259-H261 IonicContact OD2-NE2 2.73Å; D259-D288 HydrophobicContact CB-CB 3.93Å; D259-H369 IonicContact OD1-CE1 3.39Å; D259-H369 PolarHBondContact OD1-CE1 2.96Å; D259-H369 IonicContact OD1-ND1 3.13Å; D259-H369 PolarHBondContact OD1-ND1 2.71Å; D259-H369 IonicContact OD2-CE1 2.96Å; D259-S443 WeakPolarHBondContact OD1-CB 3.2Å; D259-H444 PolarHBondContact OD1-N 3.14Å; D259-H444 VanDerWaalsContact OD1-N 3.09Å; D259-H444 VanDerWaalsContact OD2-CA 3.22Å; D259-H444 WeakPolarHBondContact OD2-CA 3.36Å; D259-H444 PolarHBondContact OD2-N 2.86Å; D259-F463 HydrophobicContact CB-CD2 3.8Å; D259-F463 HydrophobicContact CB-CE2 3.65Å; D259-F463 HydrophobicContact CB-CG 4.48Å; D259-F463 HydrophobicContact CB-CZ 4.19Å; D259-F463 VanDerWaalsContact OD2-CD2 3.24Å; D259-F463 WeakPolarHBondContact OD2-CD2 3.25Å; D259-F463 WeakPolarHBondContact OD2-CE2 3.41Å; D259-S464 CarbonylContact O-C 3.55Å; D259-S464 WeakPolarHBondContact O-CA 3.46Å; D259-S464 WeakPolarHBondContact O-CB 3.29Å; D259-S464 PolarHBondContact O-N 3.46Å; D259-A465 PolarHBondContact O-N 3.45Å
260	V	98.1	Very high	97.4	Very high	1 Å²	1	24 Å²	24	1%	0.006	11%	0.112	C	C	.	.			trans	-120.8	-27.6	-179.2	-176.7	0	0	0	0	111.9	G262 Q263 L267 F285 D288 T299	V260-G262 VanDerWaalsContact C-N 3.34Å; V260-G262 PolarHBondContact O-N 2.86Å; V260-Q263 WeakPolarHBondContact O-CB 3.36Å; V260-Q263 PolarHBondContact O-N 3.4Å; V260-L267 HydrophobicContact CG1-CB 4.08Å; V260-F285 HydrophobicContact CG2-CD1 4.26Å; V260-D288 PolarHBondContact N-O 3.33Å; V260-T299 HydrophobicContact CB-CG2 4.4Å; V260-T299 HydrophobicContact CG1-CG2 3.7Å
261	H	96.6	Very high	97.5	Very high	3 Å²	3	16.9 Å²	16.9	1%	0.014	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	49.6	168.8	-78.2	-49.5	0	0	0	114.9	D259 Q263 D288 V290 D291 R292 G293 H321 F463 A465 Y468	D259-H261 IonicContact OD2-NE2 2.73Å; H261-Q263 PolarHBondContact O-N 3.46Å; H261-D288 IonicContact CE1-OD2 3.09Å; H261-D288 PolarHBondContact CE1-OD2 3.35Å; H261-D288 VanDerWaalsContact CE1-OD2 3.22Å; H261-D288 PolarHBondContact N-O 3.13Å; H261-D288 IonicContact NE2-OD2 3.88Å; H261-V290 PolarHBondContact ND1-O 2.84Å; H261-V290 VanDerWaalsContact ND1-O 3.11Å; H261-D291 CarbonylContact C-O 3.59Å; H261-D291 WeakPolarHBondContact CA-O 3.49Å; H261-R292 HydrophobicContact CB-CB 4.1Å; H261-G293 WeakPolarHBondContact O-CA 3.44Å; H261-G293 PolarHBondContact O-N 2.77Å; H261-H321 AromaticContact CE1-CD2 3.69Å; H261-H321 AromaticContact CE1-CG 3.94Å; H261-H321 AromaticContact CE1-NE2 3.86Å; H261-F463 AromaticContact CD2-CZ 3.94Å; H261-A465 HydrophobicContact CB-CB 4.46Å; H261-Y468 HydrophobicContact CB-CD2 4.46Å; H261-Y468 HydrophobicContact CB-CE2 3.97Å; H261-Y468 AromaticContact CD2-CD2 3.96Å; H261-Y468 AromaticContact CD2-CE2 3.19Å; H261-Y468 WeakPolarHBondContact CD2-CE2 3.37Å; H261-Y468 AromaticContact CD2-CZ 3.71Å; H261-Y468 AromaticContact CG-CE2 3.67Å; H261-Y468 AromaticContact NE2-CE2 3.77Å; H261-Y468 AromaticContact NE2-CZ 3.78Å; H261-Y468 PolarHBondContact NE2-OH 2.96Å
262	G	95.5	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	17.7	177.7	0	0	0	0	0	115.8	V260 F264 F289 F295 T299	V260-G262 VanDerWaalsContact C-N 3.34Å; V260-G262 PolarHBondContact O-N 2.86Å; G262-F264 VanDerWaalsContact C-N 3.29Å; G262-F264 PolarHBondContact O-N 3.46Å; G262-F264 VanDerWaalsContact O-N 3.11Å; G262-F289 PolarHBondContact N-O 2.85Å; G262-F295 CarbonylContact O-C 3.57Å; G262-F295 VanDerWaalsContact O-C 3.27Å; G262-F295 WeakPolarHBondContact O-CA 3.42Å; G262-F295 VanDerWaalsContact O-CB 3.29Å; G262-F295 WeakPolarHBondContact O-CB 3.5Å; G262-F295 PolarHBondContact O-N 3.46Å; G262-T299 WeakPolarHBondContact CA-OG1 3.41Å
263	Q	95.9	Very high	97.9	Very high	15 Å²	15	19.6 Å²	19.6	7%	0.07	9%	0.091	C	C	.	.			trans	-84.8	67.9	174.8	-66.8	-175.4	-130	0	0	111	V260 H261 Y265 D266 L267 A465 P466	V260-Q263 WeakPolarHBondContact O-CB 3.36Å; V260-Q263 PolarHBondContact O-N 3.4Å; H261-Q263 PolarHBondContact O-N 3.46Å; Q263-Y265 VanDerWaalsContact C-N 3.26Å; Q263-Y265 PolarHBondContact O-N 3.42Å; Q263-D266 HydrophobicContact CB-CB 4.08Å; Q263-D266 PolarHBondContact NE2-OD2 3.13Å; Q263-D266 PolarHBondContact O-N 3.35Å; Q263-D266 VanDerWaalsContact O-N 3.08Å; Q263-L267 PolarHBondContact O-N 3.29Å; Q263-A465 VanDerWaalsContact OE1-CB 3.26Å; Q263-P466 PolarHBondContact NE2-O 3.09Å
264	F	96.9	Very high	97.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-53.1	-38.9	-175.6	173	-112.3	0	0	0	113.9	L197 F200 R201 G262 L267 L268 F295 E298 T299 T302	L197-F264 HydrophobicContact CD2-CE2 3.97Å; L197-F264 HydrophobicContact CD2-CZ 4.17Å; F200-F264 HydrophobicContact CB-CD1 4.34Å; F200-F264 HydrophobicContact CB-CE1 3.53Å; F200-F264 HydrophobicContact CB-CE2 4.21Å; F200-F264 HydrophobicContact CB-CZ 3.45Å; F200-F264 VanDerWaalsContact CB-CZ 3.45Å; F200-F264 HydrophobicContact CD2-CE2 4.1Å; F200-F264 HydrophobicContact CD2-CZ 4.14Å; F200-F264 HydrophobicContact CG-CZ 4.33Å; R201-F264 HydrophobicContact CG-CE1 4.33Å; G262-F264 VanDerWaalsContact C-N 3.29Å; G262-F264 PolarHBondContact O-N 3.46Å; G262-F264 VanDerWaalsContact O-N 3.11Å; F264-L267 WeakPolarHBondContact O-CB 3.48Å; F264-L267 PolarHBondContact O-N 3.33Å; F264-L268 HydrophobicContact CD1-CD1 4.25Å; F264-L268 HydrophobicContact CE1-CD1 3.6Å; F264-L268 HydrophobicContact CE1-CG 4.22Å; F264-L268 HydrophobicContact CE2-CD1 4.33Å; F264-L268 HydrophobicContact CE2-CD2 4.18Å; F264-L268 HydrophobicContact CE2-CG 4.1Å; F264-L268 HydrophobicContact CZ-CD1 3.64Å; F264-L268 HydrophobicContact CZ-CD2 4.08Å; F264-L268 HydrophobicContact CZ-CG 3.91Å; F264-L268 WeakPolarHBondContact O-CG 3.35Å; F264-L268 PolarHBondContact O-N 2.71Å; F264-F295 HydrophobicContact CB-CB 3.6Å; F264-F295 HydrophobicContact CB-CG 4.38Å; F264-E298 HydrophobicContact CB-CB 4.11Å; F264-E298 HydrophobicContact CD1-CB 4.22Å; F264-E298 HydrophobicContact CD2-CB 3.9Å; F264-E298 HydrophobicContact CE2-CB 4.41Å; F264-E298 HydrophobicContact CG-CB 3.8Å; F264-T299 WeakPolarHBondContact CA-OG1 3.4Å; F264-T299 PolarHBondContact N-OG1 3.19Å; F264-T302 WeakPolarHBondContact CE2-OG1 3.49Å
265	Y	97.1	Very high	97.9	Very high	31 Å²	31	19.8 Å²	19.8	12%	0.122	10%	0.101	C	C	.	.	H	α-helix	trans	-70.6	-34.9	-178.9	-66.3	-92.8	0	0	0	112.1	F200 Q263 L268 N269 F295 V496 H498 P499	F200-Y265 PolarHBondContact O-OH 3.05Å; Q263-Y265 VanDerWaalsContact C-N 3.26Å; Q263-Y265 PolarHBondContact O-N 3.42Å; Y265-L268 WeakPolarHBondContact O-CB 3.32Å; Y265-L268 PolarHBondContact O-N 3.25Å; Y265-N269 PolarHBondContact O-N 3.21Å; Y265-F295 HydrophobicContact CD2-CD2 4.14Å; Y265-F295 HydrophobicContact CD2-CE2 4.12Å; Y265-F295 HydrophobicContact CD2-CG 4.49Å; Y265-F295 HydrophobicContact CD2-CZ 4.45Å; Y265-F295 HydrophobicContact CE2-CD1 4.09Å; Y265-F295 HydrophobicContact CE2-CD2 4.18Å; Y265-F295 AromaticContact CE2-CE1 3.99Å; Y265-F295 HydrophobicContact CE2-CE1 3.99Å; Y265-F295 HydrophobicContact CE2-CE2 4.08Å; Y265-F295 HydrophobicContact CE2-CG 4.19Å; Y265-F295 AromaticContact CE2-CZ 3.99Å; Y265-F295 HydrophobicContact CE2-CZ 3.99Å; Y265-V496 WeakPolarHBondContact O-CG2 3.4Å; Y265-H498 HydrophobicContact CD1-CB 4.45Å; Y265-H498 HydrophobicContact CD2-CB 3.46Å; Y265-H498 VanDerWaalsContact CD2-CB 3.46Å; Y265-H498 HydrophobicContact CE2-CB 4.08Å; Y265-H498 HydrophobicContact CG-CB 3.7Å; Y265-P499 HydrophobicContact CE2-CG 4.12Å; Y265-P499 WeakPolarHBondContact OH-CD 3.48Å; Y265-P499 WeakPolarHBondContact OH-CG 3.43Å
266	D	97.4	Very high	97.9	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.12	C	C	.	.	H	α-helix	trans	-72.5	-34.7	172.3	-61.7	-64.7	0	0	0	111.9	Q263 L268 N269 I270 P466 A495 V496	Q263-D266 HydrophobicContact CB-CB 4.08Å; Q263-D266 PolarHBondContact NE2-OD2 3.13Å; Q263-D266 PolarHBondContact O-N 3.35Å; Q263-D266 VanDerWaalsContact O-N 3.08Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.36Å; D266-N269 CarbonylContact O-C 3.56Å; D266-N269 WeakPolarHBondContact O-CA 3.49Å; D266-N269 VanDerWaalsContact O-CB 3.32Å; D266-N269 WeakPolarHBondContact O-CB 3.15Å; D266-N269 PolarHBondContact O-N 2.75Å; D266-I270 WeakPolarHBondContact O-CG1 3.45Å; D266-I270 PolarHBondContact O-N 3.31Å; D266-P466 HydrophobicContact CB-CG 3.87Å; D266-P466 VanDerWaalsContact OD1-CG 3.23Å; D266-P466 WeakPolarHBondContact OD1-CG 3.36Å; D266-A495 WeakPolarHBondContact OD1-CA 3.35Å; D266-V496 PolarHBondContact OD1-N 3.08Å
267	L	98.1	Very high	97.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.1	-43	168.9	177.9	62.2	0	0	0	111.6	V260 Q263 F264 N269 I270 F271 F285 T299 T302 L303	V260-L267 HydrophobicContact CG1-CB 4.08Å; Q263-L267 PolarHBondContact O-N 3.29Å; F264-L267 WeakPolarHBondContact O-CB 3.48Å; F264-L267 PolarHBondContact O-N 3.33Å; L267-N269 VanDerWaalsContact C-N 3.27Å; L267-N269 PolarHBondContact O-N 3Å; L267-I270 HydrophobicContact CD1-CD1 4.24Å; L267-I270 WeakPolarHBondContact O-CB 3.29Å; L267-I270 PolarHBondContact O-N 3.36Å; L267-F271 HydrophobicContact CD1-CE1 4.02Å; L267-F271 HydrophobicContact CD1-CE2 4.03Å; L267-F271 HydrophobicContact CD1-CZ 3.55Å; L267-F271 HydrophobicContact CD2-CE2 4.26Å; L267-F271 HydrophobicContact CD2-CZ 4.26Å; L267-F271 HydrophobicContact CG-CE2 3.74Å; L267-F271 HydrophobicContact CG-CZ 3.79Å; L267-F271 WeakPolarHBondContact O-CD2 3.41Å; L267-F271 WeakPolarHBondContact O-CG 3.28Å; L267-F271 PolarHBondContact O-N 3.19Å; L267-F285 HydrophobicContact CD1-CD1 4.42Å; L267-F285 HydrophobicContact CD1-CE1 3.49Å; L267-F285 VanDerWaalsContact CD1-CE1 3.49Å; L267-F285 HydrophobicContact CD1-CZ 3.96Å; L267-T299 HydrophobicContact CD2-CG2 3.94Å; L267-T302 HydrophobicContact CD2-CG2 4.04Å; L267-L303 HydrophobicContact CD1-CD2 4.25Å; L267-L303 HydrophobicContact CD2-CD2 3.98Å; L267-L303 HydrophobicContact CD2-CG 4.17Å
268	L	98.2	Very high	97.8	Very high	20 Å²	20	25.3 Å²	25.3	11%	0.105	13%	0.131	C	C	.	.	H	α-helix	trans	-63.2	-33.7	172	-69	-179.4	0	0	0	112.4	L197 R201 F264 Y265 D266 F271 K272	L197-L268 HydrophobicContact CD1-CD2 4.19Å; L197-L268 HydrophobicContact CD2-CD2 4.06Å; R201-L268 HydrophobicContact CG-CD1 3.69Å; F264-L268 HydrophobicContact CD1-CD1 4.25Å; F264-L268 HydrophobicContact CE1-CD1 3.6Å; F264-L268 HydrophobicContact CE1-CG 4.22Å; F264-L268 HydrophobicContact CE2-CD1 4.33Å; F264-L268 HydrophobicContact CE2-CD2 4.18Å; F264-L268 HydrophobicContact CE2-CG 4.1Å; F264-L268 HydrophobicContact CZ-CD1 3.64Å; F264-L268 HydrophobicContact CZ-CD2 4.08Å; F264-L268 HydrophobicContact CZ-CG 3.91Å; F264-L268 WeakPolarHBondContact O-CG 3.35Å; F264-L268 PolarHBondContact O-N 2.71Å; Y265-L268 WeakPolarHBondContact O-CB 3.32Å; Y265-L268 PolarHBondContact O-N 3.25Å; D266-L268 VanDerWaalsContact C-N 3.32Å; D266-L268 PolarHBondContact O-N 3.36Å; L268-F271 HydrophobicContact CD2-CD2 4.18Å; L268-F271 PolarHBondContact O-N 3.46Å; L268-K272 PolarHBondContact O-N 2.78Å
269	N	98.3	Very high	97.7	Very high	19 Å²	19	31.9 Å²	31.9	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-39.3	175.3	-164.2	37.9	0	0	0	111.9	Y265 D266 L267 F271 K272 L273 V496	Y265-N269 PolarHBondContact O-N 3.21Å; D266-N269 CarbonylContact O-C 3.56Å; D266-N269 WeakPolarHBondContact O-CA 3.49Å; D266-N269 VanDerWaalsContact O-CB 3.32Å; D266-N269 WeakPolarHBondContact O-CB 3.15Å; D266-N269 PolarHBondContact O-N 2.75Å; L267-N269 VanDerWaalsContact C-N 3.27Å; L267-N269 PolarHBondContact O-N 3Å; N269-F271 VanDerWaalsContact C-N 3.29Å; N269-F271 PolarHBondContact O-N 3.3Å; N269-K272 WeakPolarHBondContact O-CB 3.17Å; N269-K272 PolarHBondContact O-N 2.93Å; N269-K272 VanDerWaalsContact O-N 3.12Å; N269-L273 WeakPolarHBondContact O-CB 3.29Å; N269-L273 VanDerWaalsContact O-CG 3.27Å; N269-L273 WeakPolarHBondContact O-CG 3.37Å; N269-L273 PolarHBondContact O-N 2.72Å; N269-V496 HydrophobicContact CB-CG1 3.85Å; N269-V496 HydrophobicContact CB-CG2 4.41Å; N269-V496 VanDerWaalsContact CG-CG1 3.5Å; N269-V496 WeakPolarHBondContact ND2-CG1 3.47Å
270	I	98.7	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.2	-46.2	170.8	-64.7	161.3	0	0	0	110.7	D266 L267 K272 L273 N274 Y283 F478 Y493	D266-I270 WeakPolarHBondContact O-CG1 3.45Å; D266-I270 PolarHBondContact O-N 3.31Å; L267-I270 HydrophobicContact CD1-CD1 4.24Å; L267-I270 WeakPolarHBondContact O-CB 3.29Å; L267-I270 PolarHBondContact O-N 3.36Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.48Å; I270-L273 PolarHBondContact O-N 3.13Å; I270-N274 PolarHBondContact O-N 2.74Å; I270-Y283 HydrophobicContact CG2-CE1 4.06Å; I270-F478 HydrophobicContact CG1-CD1 4.27Å; I270-F478 HydrophobicContact CG2-CD1 3.88Å; I270-F478 HydrophobicContact CG2-CE1 4.25Å; I270-F478 HydrophobicContact CG2-CG 4.47Å; I270-Y493 VanDerWaalsContact CD1-OH 3.28Å; I270-Y493 WeakPolarHBondContact CD1-OH 3.17Å; I270-Y493 HydrophobicContact CG1-CE1 4Å; I270-Y493 HydrophobicContact CG1-CE2 4.28Å; I270-Y493 VanDerWaalsContact CG1-OH 3.24Å; I270-Y493 WeakPolarHBondContact CG1-OH 3.35Å
271	F	98.3	Very high	97.6	Very high	8 Å²	8	40.6 Å²	40.6	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-66.5	-34.2	177.8	-58.4	-33.1	0	0	0	113.1	L267 L268 N269 G275 M276 P277 F285 T302 L306	L267-F271 HydrophobicContact CD1-CE1 4.02Å; L267-F271 HydrophobicContact CD1-CE2 4.03Å; L267-F271 HydrophobicContact CD1-CZ 3.55Å; L267-F271 HydrophobicContact CD2-CE2 4.26Å; L267-F271 HydrophobicContact CD2-CZ 4.26Å; L267-F271 HydrophobicContact CG-CE2 3.74Å; L267-F271 HydrophobicContact CG-CZ 3.79Å; L267-F271 WeakPolarHBondContact O-CD2 3.41Å; L267-F271 WeakPolarHBondContact O-CG 3.28Å; L267-F271 PolarHBondContact O-N 3.19Å; L268-F271 HydrophobicContact CD2-CD2 4.18Å; L268-F271 PolarHBondContact O-N 3.46Å; N269-F271 VanDerWaalsContact C-N 3.29Å; N269-F271 PolarHBondContact O-N 3.3Å; F271-G275 CarbonylContact O-C 3.6Å; F271-G275 WeakPolarHBondContact O-CA 3.39Å; F271-G275 PolarHBondContact O-N 3.31Å; F271-M276 HydrophobicContact CB-SD 3.63Å; F271-M276 HydrophobicContact CD2-CE 4.31Å; F271-M276 HydrophobicContact CD2-SD 3.82Å; F271-M276 HydrophobicContact CG-SD 3.81Å; F271-P277 HydrophobicContact CD1-CG 3.95Å; F271-P277 HydrophobicContact CE1-CG 3.44Å; F271-P277 VanDerWaalsContact CE1-CG 3.44Å; F271-P277 HydrophobicContact CZ-CG 4.13Å; F271-F285 AromaticContact CE1-CZ 3.89Å; F271-F285 HydrophobicContact CE1-CZ 3.89Å; F271-F285 HydrophobicContact CZ-CZ 4.23Å; F271-T302 HydrophobicContact CE2-CG2 4.06Å; F271-L306 HydrophobicContact CE1-CD1 4.32Å; F271-L306 HydrophobicContact CE2-CD1 4.07Å; F271-L306 HydrophobicContact CZ-CD1 3.52Å
272	K	98	Very high	97.7	Very high	174 Å²	174	41.2 Å²	41.2	76%	0.757	21%	0.205	S	C	*	.	H	α-helix	trans	-66.1	-38.3	173	-178.7	-174.8	173.4	-170	0	112	L268 N269 I270	L268-K272 PolarHBondContact O-N 2.78Å; N269-K272 WeakPolarHBondContact O-CB 3.17Å; N269-K272 PolarHBondContact O-N 2.93Å; N269-K272 VanDerWaalsContact O-N 3.12Å; I270-K272 VanDerWaalsContact C-N 3.34Å; I270-K272 PolarHBondContact O-N 3.48Å
273	L	98.5	Very high	97.9	Very high	88 Å²	88	41.2 Å²	41.2	46%	0.461	21%	0.205	S	C	.	.	H	α-helix	trans	-79.3	-36.9	-176.3	-69.5	169.3	0	0	0	113.6	N269 I270 F478 Y493	N269-L273 WeakPolarHBondContact O-CB 3.29Å; N269-L273 VanDerWaalsContact O-CG 3.27Å; N269-L273 WeakPolarHBondContact O-CG 3.37Å; N269-L273 PolarHBondContact O-N 2.72Å; I270-L273 PolarHBondContact O-N 3.13Å; L273-F478 HydrophobicContact CB-CE1 4.2Å; L273-F478 HydrophobicContact CB-CZ 4.25Å; L273-F478 HydrophobicContact CD1-CE1 4.44Å; L273-Y493 HydrophobicContact CD1-CD1 3.97Å; L273-Y493 HydrophobicContact CD1-CG 3.81Å
274	N	98.3	Very high	98	Very high	23 Å²	23	40.5 Å²	40.5	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-120.8	0.9	-172	-169	22.6	0	0	0	114	K253 T255 I270 N281 Y283 F478	K253-N274 PolarHBondContact NZ-O 3.09Å; K253-N274 PolarHBondContact NZ-OD1 3.35Å; T255-N274 WeakPolarHBondContact CG2-ND2 3.5Å; T255-N274 PolarHBondContact OG1-ND2 2.71Å; I270-N274 PolarHBondContact O-N 2.74Å; N274-N281 PolarHBondContact O-ND2 2.7Å; N274-Y283 WeakPolarHBondContact CB-OH 3.22Å; N274-Y283 PolarHBondContact ND2-OH 3.32Å; N274-F478 HydrophobicContact CB-CE1 4.32Å; N274-F478 HydrophobicContact CB-CE2 3.69Å; N274-F478 HydrophobicContact CB-CZ 3.58Å; N274-F478 WeakPolarHBondContact ND2-CE2 3.42Å
275	G	98.2	Very high	98.1	Very high	29 Å²	29	40.5 Å²	40.5	30%	0.299	20%	0.201	S	C	.	.			trans	93.2	159.4	-178	0	0	0	0	0	113.1	F271 N281 Y283	F271-G275 CarbonylContact O-C 3.6Å; F271-G275 WeakPolarHBondContact O-CA 3.39Å; F271-G275 PolarHBondContact O-N 3.31Å; G275-N281 VanDerWaalsContact C-ND2 3.26Å; G275-N281 PolarHBondContact O-ND2 3.03Å; G275-N281 VanDerWaalsContact O-ND2 3.15Å; G275-Y283 PolarHBondContact O-OH 3.42Å
276	M	98	Very high	98.2	Very high	82 Å²	82	39 Å²	39	40%	0.404	20%	0.196	S	C	.	.			trans	-63.3	144.6	170.5	-74	-61.5	-63.1	0	0	110.9	L193 L197 F271 N281 L306	L193-M276 HydrophobicContact CD2-CE 4.2Å; L197-M276 HydrophobicContact CD1-CE 3.71Å; L197-M276 HydrophobicContact CD1-SD 4.33Å; F271-M276 HydrophobicContact CB-SD 3.63Å; F271-M276 HydrophobicContact CD2-CE 4.31Å; F271-M276 HydrophobicContact CD2-SD 3.82Å; F271-M276 HydrophobicContact CG-SD 3.81Å; M276-N281 PolarHBondContact O-ND2 3.14Å; M276-L306 HydrophobicContact CE-CD2 4.38Å
277	P	98.5	Very high	98.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.013	20%	0.195	C	C	.	.			trans	-62.9	140.7	173.6	-19.4	32.1	0	0	0	111	F271 N281 Y283 L306 Y310 V314	F271-P277 HydrophobicContact CD1-CG 3.95Å; F271-P277 HydrophobicContact CE1-CG 3.44Å; F271-P277 VanDerWaalsContact CE1-CG 3.44Å; F271-P277 HydrophobicContact CZ-CG 4.13Å; P277-N281 VanDerWaalsContact CA-O 3.29Å; P277-N281 WeakPolarHBondContact CA-O 3.49Å; P277-Y283 HydrophobicContact CB-CD2 3.58Å; P277-Y283 HydrophobicContact CB-CE2 4.01Å; P277-Y283 HydrophobicContact CB-CG 4.28Å; P277-Y283 HydrophobicContact CG-CD2 3.66Å; P277-Y283 HydrophobicContact CG-CE2 3.87Å; P277-Y283 HydrophobicContact CG-CG 4.09Å; P277-L306 HydrophobicContact CB-CD2 4.04Å; P277-L306 HydrophobicContact CG-CD1 4.13Å; P277-L306 HydrophobicContact CG-CD2 3.92Å; P277-Y310 WeakPolarHBondContact O-CE2 3.14Å; P277-V314 HydrophobicContact CB-CG2 3.66Å
278	S	97.8	Very high	98.2	Very high	33 Å²	33	39 Å²	39	23%	0.231	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-165.1	179.4	179.8	62.7	0	0	0	0	110.2	K280 N281	S278-K280 PolarHBondContact O-N 2.9Å; S278-K280 VanDerWaalsContact O-N 3.13Å; S278-K280 PolarHBondContact OG-N 2.83Å; S278-N281 PolarHBondContact N-O 3.13Å; S278-N281 CarbonylContact O-C 3.51Å; S278-N281 PolarHBondContact O-N 3Å; S278-N281 PolarHBondContact OG-N 3.14Å
279	E	96.7	Very high	98.2	Very high	138 Å²	138	38 Å²	38	65%	0.645	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28.3	174.3	-51.2	-169.9	145.7	0	0	113.7	Y310	E279-Y310 HydrophobicContact CG-CD1 4.07Å; E279-Y310 HydrophobicContact CG-CE1 4.34Å
280	K	96.6	Very high	98.1	Very high	174 Å²	174	37.1 Å²	37.1	76%	0.757	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	2	177.8	-61	-176.5	-179.7	179.8	0	113.7	S278	S278-K280 PolarHBondContact O-N 2.9Å; S278-K280 VanDerWaalsContact O-N 3.13Å; S278-K280 PolarHBondContact OG-N 2.83Å
281	N	97.9	Very high	97.9	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.059	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-146.5	71.9	-178.3	-167.3	24.7	0	0	0	108.8	K253 N274 G275 M276 P277 S278 Y283	K253-N281 WeakPolarHBondContact CE-OD1 3.33Å; K253-N281 PolarHBondContact NZ-OD1 3.36Å; N274-N281 PolarHBondContact O-ND2 2.7Å; G275-N281 VanDerWaalsContact C-ND2 3.26Å; G275-N281 PolarHBondContact O-ND2 3.03Å; G275-N281 VanDerWaalsContact O-ND2 3.15Å; M276-N281 PolarHBondContact O-ND2 3.14Å; P277-N281 VanDerWaalsContact CA-O 3.29Å; P277-N281 WeakPolarHBondContact CA-O 3.49Å; S278-N281 PolarHBondContact N-O 3.13Å; S278-N281 CarbonylContact O-C 3.51Å; S278-N281 PolarHBondContact O-N 3Å; S278-N281 PolarHBondContact OG-N 3.14Å; N281-Y283 HydrophobicContact CB-CE2 4.5Å; N281-Y283 WeakPolarHBondContact O-CD2 3.26Å; N281-Y283 WeakPolarHBondContact O-CE2 3.34Å
282	P	98.7	Very high	97.4	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.104	18%	0.184	C	C	.	.			trans	-77.7	149.7	-176.3	30.8	-35.2	0	0	0	113	K253 F254 T255 H313	K253-P282 WeakPolarHBondContact O-CD 3.3Å; K253-P282 VanDerWaalsContact O-CG 3.3Å; K253-P282 WeakPolarHBondContact O-CG 3.3Å; F254-P282 HydrophobicContact CB-CG 4.37Å; F254-P282 HydrophobicContact CD2-CB 3.64Å; F254-P282 HydrophobicContact CD2-CG 3.56Å; F254-P282 HydrophobicContact CE2-CB 3.79Å; F254-P282 HydrophobicContact CE2-CG 4.24Å; F254-P282 HydrophobicContact CG-CG 4.31Å; T255-P282 PolarHBondContact N-O 3.47Å; P282-H313 CarbonylContact C-O 3.6Å; P282-H313 WeakPolarHBondContact CA-O 3.4Å; P282-H313 HydrophobicContact CB-CB 4.02Å; P282-H313 WeakPolarHBondContact CB-O 3.36Å
283	Y	98.9	Very high	96.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	142.3	-176.4	-77	-110.5	0	0	0	111.8	T255 I270 N274 G275 P277 N281 F285 H313 V314 F315	T255-Y283 HydrophobicContact CG2-CD1 3.71Å; T255-Y283 HydrophobicContact CG2-CE1 3.55Å; T255-Y283 HydrophobicContact CG2-CG 4.48Å; T255-Y283 CarbonylContact O-C 3.45Å; T255-Y283 WeakPolarHBondContact O-CA 3.28Å; I270-Y283 HydrophobicContact CG2-CE1 4.06Å; N274-Y283 WeakPolarHBondContact CB-OH 3.22Å; N274-Y283 PolarHBondContact ND2-OH 3.32Å; G275-Y283 PolarHBondContact O-OH 3.42Å; P277-Y283 HydrophobicContact CB-CD2 3.58Å; P277-Y283 HydrophobicContact CB-CE2 4.01Å; P277-Y283 HydrophobicContact CB-CG 4.28Å; P277-Y283 HydrophobicContact CG-CD2 3.66Å; P277-Y283 HydrophobicContact CG-CE2 3.87Å; P277-Y283 HydrophobicContact CG-CG 4.09Å; N281-Y283 HydrophobicContact CB-CE2 4.5Å; N281-Y283 WeakPolarHBondContact O-CD2 3.26Å; N281-Y283 WeakPolarHBondContact O-CE2 3.34Å; Y283-F285 HydrophobicContact CD1-CE2 4.05Å; Y283-F285 AromaticContact CD1-CZ 3.78Å; Y283-F285 HydrophobicContact CD1-CZ 3.78Å; Y283-F285 HydrophobicContact CG-CE2 4.12Å; Y283-F285 HydrophobicContact CG-CZ 4.3Å; Y283-H313 PolarHBondContact N-O 3.04Å; Y283-V314 CarbonylContact O-C 3.15Å; Y283-V314 WeakPolarHBondContact O-CA 3.49Å; Y283-F315 PolarHBondContact O-N 2.96Å
284	L	98.9	Very high	96.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.8	158.1	170.5	58.1	0	0	0	108.9	F254 T255 I256 C257 F315 H359 V367	F254-L284 HydrophobicContact CE1-CB 3.65Å; F254-L284 HydrophobicContact CZ-CB 3.83Å; T255-L284 PolarHBondContact O-N 3.12Å; I256-L284 WeakPolarHBondContact CA-O 3.43Å; I256-L284 HydrophobicContact CG1-CB 4.45Å; I256-L284 HydrophobicContact CG2-CB 4.42Å; I256-L284 HydrophobicContact CG2-CD2 4.22Å; I256-L284 HydrophobicContact CG2-CG 4.28Å; C257-L284 PolarHBondContact N-O 3.46Å; L284-F315 WeakPolarHBondContact CA-O 3.36Å; L284-F315 HydrophobicContact CB-CB 4.21Å; L284-F315 HydrophobicContact CD1-CB 3.67Å; L284-H359 WeakPolarHBondContact CD1-ND1 3.42Å; L284-H359 HydrophobicContact CD2-CB 3.79Å; L284-V367 HydrophobicContact CD2-CB 3.86Å; L284-V367 HydrophobicContact CD2-CG1 3.68Å; L284-V367 HydrophobicContact CD2-CG2 4.04Å
285	F	98.9	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.3	166.1	-63.8	-93.1	0	0	0	108.5	C257 V260 L267 F271 Y283 G287 F289 L303 F315 L316 S317	C257-F285 HydrophobicContact CB-CD1 3.61Å; C257-F285 HydrophobicContact CB-CE1 3.84Å; C257-F285 HydrophobicContact CB-CG 4.37Å; V260-F285 HydrophobicContact CG2-CD1 4.26Å; L267-F285 HydrophobicContact CD1-CD1 4.42Å; L267-F285 HydrophobicContact CD1-CE1 3.49Å; L267-F285 VanDerWaalsContact CD1-CE1 3.49Å; L267-F285 HydrophobicContact CD1-CZ 3.96Å; F271-F285 AromaticContact CE1-CZ 3.89Å; F271-F285 HydrophobicContact CE1-CZ 3.89Å; F271-F285 HydrophobicContact CZ-CZ 4.23Å; Y283-F285 HydrophobicContact CD1-CE2 4.05Å; Y283-F285 AromaticContact CD1-CZ 3.78Å; Y283-F285 HydrophobicContact CD1-CZ 3.78Å; Y283-F285 HydrophobicContact CG-CE2 4.12Å; Y283-F285 HydrophobicContact CG-CZ 4.3Å; F285-G287 PolarHBondContact O-N 3.32Å; F285-F289 HydrophobicContact CB-CD1 4.14Å; F285-F289 HydrophobicContact CB-CE1 3.42Å; F285-F289 VanDerWaalsContact CB-CE1 3.42Å; F285-F289 HydrophobicContact CB-CZ 4.04Å; F285-F289 WeakPolarHBondContact O-CE1 3.43Å; F285-F289 WeakPolarHBondContact O-CZ 3.49Å; F285-L303 HydrophobicContact CB-CD1 4.42Å; F285-L303 HydrophobicContact CD1-CD1 4.37Å; F285-L303 HydrophobicContact CD1-CD2 3.87Å; F285-L303 HydrophobicContact CD2-CD2 3.67Å; F285-L303 HydrophobicContact CE1-CD2 3.81Å; F285-L303 HydrophobicContact CE2-CD2 3.59Å; F285-L303 HydrophobicContact CG-CD1 4.27Å; F285-L303 HydrophobicContact CG-CD2 3.81Å; F285-L303 HydrophobicContact CZ-CD2 3.68Å; F285-F315 PolarHBondContact N-O 3.05Å; F285-L316 HydrophobicContact CB-CD2 4Å; F285-L316 HydrophobicContact CD2-CD2 4.08Å; F285-L316 HydrophobicContact CG-CD2 4.4Å; F285-L316 WeakPolarHBondContact O-CA 3.43Å; F285-S317 PolarHBondContact O-N 2.89Å
286	N	98.7	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	64.5	-165	-169	43.4	0	0	0	112.9	I256 C257 S317 V367 M368 H369 S443	I256-N286 HydrophobicContact CG2-CB 4.47Å; C257-N286 WeakPolarHBondContact O-CB 3.32Å; C257-N286 PolarHBondContact O-N 3.25Å; N286-S317 VanDerWaalsContact OD1-CB 3.27Å; N286-S317 WeakPolarHBondContact OD1-CB 3.21Å; N286-S317 PolarHBondContact OD1-OG 3.43Å; N286-V367 HydrophobicContact CB-CG1 4.22Å; N286-M368 PolarHBondContact ND2-O 3.42Å; N286-H369 PolarHBondContact O-ND1 2.8Å; N286-S443 WeakPolarHBondContact CB-OG 3.28Å; N286-S443 PolarHBondContact ND2-OG 3.03Å; N286-S443 PolarHBondContact O-OG 2.75Å; N286-S443 VanDerWaalsContact O-OG 3.07Å
287	G	98.2	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	77.1	175.8	179.2	0	0	0	0	0	115	F285 F289 S317 G319	F285-G287 PolarHBondContact O-N 3.32Å; G287-F289 WeakPolarHBondContact O-CD1 3.34Å; G287-F289 WeakPolarHBondContact O-CE1 3.31Å; G287-F289 PolarHBondContact O-N 3.31Å; G287-S317 WeakPolarHBondContact CA-O 3.21Å; G287-S317 PolarHBondContact N-O 3.41Å; G287-G319 VanDerWaalsContact CA-N 3.32Å
288	D	98.6	Very high	95.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	10%	0.101	C	C	.	.			trans	53.2	56.8	173.3	-76.9	18.2	0	0	0	112.7	D259 V260 H261 V290 G319 N320 H321 E322 H369	D259-D288 HydrophobicContact CB-CB 3.93Å; V260-D288 PolarHBondContact N-O 3.33Å; H261-D288 IonicContact CE1-OD2 3.09Å; H261-D288 PolarHBondContact CE1-OD2 3.35Å; H261-D288 VanDerWaalsContact CE1-OD2 3.22Å; H261-D288 PolarHBondContact N-O 3.13Å; H261-D288 IonicContact NE2-OD2 3.88Å; D288-V290 VanDerWaalsContact C-N 3.34Å; D288-G319 WeakPolarHBondContact OD1-CA 3.42Å; D288-N320 PolarHBondContact OD1-N 3.38Å; D288-N320 PolarHBondContact OD1-OD1 3.09Å; D288-N320 PolarHBondContact OD2-OD1 2.96Å; D288-N320 VanDerWaalsContact OD2-OD1 3.13Å; D288-H321 HydrophobicContact CB-CB 4.46Å; D288-H321 WeakPolarHBondContact OD1-CB 3.28Å; D288-H321 IonicContact OD1-CD2 3.33Å; D288-H321 IonicContact OD1-CG 3.11Å; D288-H321 PolarHBondContact OD1-N 2.91Å; D288-H321 IonicContact OD2-CD2 3.03Å; D288-H321 PolarHBondContact OD2-CD2 3.41Å; D288-H321 IonicContact OD2-CG 2.71Å; D288-H321 IonicContact OD2-NE2 2.76Å; D288-E322 PolarHBondContact N-OE1 2.8Å; D288-E322 PolarHBondContact N-OE2 3.3Å; D288-H369 IonicContact OD1-CE1 3.64Å; D288-H369 PolarHBondContact OD1-CE1 2.84Å; D288-H369 IonicContact OD1-NE2 3.23Å; D288-H369 PolarHBondContact OD1-NE2 2.99Å; D288-H369 IonicContact OD2-CE1 3.33Å; D288-H369 PolarHBondContact OD2-CE1 3.22Å; D288-H369 IonicContact OD2-NE2 2.72Å; D288-H369 PolarHBondContact OD2-NE2 3.47Å
289	F	97.5	Very high	95.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.			trans	-80.1	-23.2	176.4	-44.8	-38.6	0	0	0	111.9	G262 F285 G287 T299 L303 L316 S317 E322 L355	G262-F289 PolarHBondContact N-O 2.85Å; F285-F289 HydrophobicContact CB-CD1 4.14Å; F285-F289 HydrophobicContact CB-CE1 3.42Å; F285-F289 VanDerWaalsContact CB-CE1 3.42Å; F285-F289 HydrophobicContact CB-CZ 4.04Å; F285-F289 WeakPolarHBondContact O-CE1 3.43Å; F285-F289 WeakPolarHBondContact O-CZ 3.49Å; G287-F289 WeakPolarHBondContact O-CD1 3.34Å; G287-F289 WeakPolarHBondContact O-CE1 3.31Å; G287-F289 PolarHBondContact O-N 3.31Å; F289-T299 WeakPolarHBondContact O-CG2 3.24Å; F289-L303 HydrophobicContact CB-CD1 3.87Å; F289-L303 HydrophobicContact CD1-CD1 3.62Å; F289-L303 HydrophobicContact CD2-CD1 4.19Å; F289-L303 HydrophobicContact CE1-CD1 4.24Å; F289-L303 HydrophobicContact CG-CD1 3.6Å; F289-L316 HydrophobicContact CE2-CB 4.11Å; F289-L316 HydrophobicContact CE2-CD2 4.31Å; F289-L316 HydrophobicContact CZ-CB 3.97Å; F289-L316 HydrophobicContact CZ-CD2 4.05Å; F289-S317 WeakPolarHBondContact CZ-O 3.42Å; F289-E322 HydrophobicContact CD2-CG 4.44Å; F289-E322 PolarHBondContact N-OE1 2.92Å; F289-L355 HydrophobicContact CE2-CD1 4.26Å
290	V	97.4	Very high	95.8	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-122.8	-178.8	-168.7	-59.1	0	0	0	0	112.2	H261 D288 V300 N327 F332 F352	H261-V290 PolarHBondContact ND1-O 2.84Å; H261-V290 VanDerWaalsContact ND1-O 3.11Å; D288-V290 VanDerWaalsContact C-N 3.34Å; V290-V300 HydrophobicContact CG1-CB 3.96Å; V290-V300 HydrophobicContact CG1-CG1 4.48Å; V290-V300 HydrophobicContact CG1-CG2 4.3Å; V290-N327 WeakPolarHBondContact CG2-ND2 3.42Å; V290-F332 HydrophobicContact CB-CB 4.08Å; V290-F332 HydrophobicContact CB-CD1 4.18Å; V290-F332 HydrophobicContact CB-CD2 3.85Å; V290-F332 HydrophobicContact CB-CE2 4.3Å; V290-F332 HydrophobicContact CB-CG 3.76Å; V290-F332 HydrophobicContact CG1-CD1 4.31Å; V290-F332 HydrophobicContact CG1-CD2 3.86Å; V290-F332 HydrophobicContact CG1-CE1 4.26Å; V290-F332 HydrophobicContact CG1-CE2 3.78Å; V290-F332 HydrophobicContact CG1-CG 4.11Å; V290-F332 HydrophobicContact CG1-CZ 3.99Å; V290-F332 HydrophobicContact CG2-CB 4.21Å; V290-F332 HydrophobicContact CG2-CD1 4.02Å; V290-F332 HydrophobicContact CG2-CG 4.01Å; V290-F352 HydrophobicContact CG1-CZ 3.95Å; V290-F352 HydrophobicContact CG2-CE2 4.03Å; V290-F352 HydrophobicContact CG2-CZ 4Å
291	D	94.1	Very high	95.8	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.005	2%	0.024	C	C	.	.	S	Bend	trans	63.5	169.8	-173.7	-75.4	-41.8	0	0	0	113.4	H261 G293 S296 H321 M326 N327 G331 F332	H261-D291 CarbonylContact C-O 3.59Å; H261-D291 WeakPolarHBondContact CA-O 3.49Å; D291-G293 PolarHBondContact O-N 3.17Å; D291-S296 PolarHBondContact N-OG 3.18Å; D291-H321 HydrophobicContact CB-CB 4.44Å; D291-H321 WeakPolarHBondContact CB-ND1 3.49Å; D291-H321 IonicContact OD2-CG 3.48Å; D291-H321 IonicContact OD2-ND1 3.36Å; D291-H321 PolarHBondContact OD2-ND1 3.1Å; D291-M326 VanDerWaalsContact OD2-C 3.27Å; D291-N327 WeakPolarHBondContact OD1-CA 3.19Å; D291-N327 WeakPolarHBondContact OD2-CA 3.48Å; D291-N327 PolarHBondContact OD2-N 3.49Å; D291-N327 PolarHBondContact OD2-ND2 3.25Å; D291-G331 PolarHBondContact OD1-N 3.01Å; D291-F332 VanDerWaalsContact OD1-CB 3.24Å; D291-F332 WeakPolarHBondContact OD1-CB 3.33Å; D291-F332 PolarHBondContact OD1-N 2.87Å
292	R	88.1	Confident	95.8	Very high	1 Å²	1	3.3 Å²	3.3	0%	0.004	2%	0.021	C	C	.	.	S	Bend	trans	68.5	-61.2	175.1	-56.6	-85.3	-178.8	-158.5	-1.5	114	E78 H261 Y330 Y468 C469 M504	E78-R292 IonicContact OE1-CZ 2.75Å; E78-R292 IonicContact OE1-NE 2.69Å; E78-R292 IonicContact OE1-NH2 3.34Å; E78-R292 PolarHBondContact OE1-NH2 3.38Å; E78-R292 IonicContact OE2-NH2 3.15Å; E78-R292 PolarHBondContact OE2-NH2 3.39Å; H261-R292 HydrophobicContact CB-CB 4.1Å; R292-Y330 VanDerWaalsContact CZ-CE1 3.46Å; R292-Y330 PolarHBondContact N-O 3.22Å; R292-Y330 PolarHBondContact NH2-OH 3.41Å; R292-Y330 VanDerWaalsContact NH2-OH 3.16Å; R292-Y468 HydrophobicContact CB-CE2 3.85Å; R292-Y468 WeakPolarHBondContact CD-OH 3.32Å; R292-Y468 HydrophobicContact CG-CE2 3.85Å; R292-Y468 VanDerWaalsContact CG-OH 3.28Å; R292-Y468 WeakPolarHBondContact CG-OH 3.02Å; R292-Y468 PolarHBondContact NE-OH 2.79Å; R292-Y468 VanDerWaalsContact NE-OH 3.08Å; R292-C469 VanDerWaalsContact CD-SG 3.56Å; R292-M504 WeakPolarHBondContact O-CG 3.41Å; R292-M504 PolarHBondContact O-N 3.27Å
293	G	85.2	Confident	95.7	Very high	14 Å²	14	2.5 Å²	2.5	14%	0.144	2%	0.016	C	C	.	.	S	Bend	trans	-73.9	163.5	171.1	0	0	0	0	0	112.9	H261 D291 S296	H261-G293 WeakPolarHBondContact O-CA 3.44Å; H261-G293 PolarHBondContact O-N 2.77Å; D291-G293 PolarHBondContact O-N 3.17Å; G293-S296 PolarHBondContact O-OG 2.9Å
294	S	86.2	Confident	95.7	Very high	5 Å²	5	2.5 Å²	2.5	4%	0.035	2%	0.016	C	C	.	.	S	Bend	trans	-91.5	-1.3	-173.8	-57.6	0	0	0	0	114.5	K339 V501 T502	S294-K339 PolarHBondContact O-NZ 3.41Å; S294-V501 PolarHBondContact OG-O 3.19Å; S294-V501 VanDerWaalsContact OG-O 3.06Å; S294-T502 PolarHBondContact OG-O 2.89Å
295	F	95.1	Very high	95.6	Very high	17 Å²	17	2.5 Å²	2.5	8%	0.075	2%	0.016	C	C	.	.			trans	-126.6	38	-173.6	-41.3	-82.4	0	0	0	111.5	G262 F264 Y265 V297 E298 T299 H498 P499 V501	G262-F295 CarbonylContact O-C 3.57Å; G262-F295 VanDerWaalsContact O-C 3.27Å; G262-F295 WeakPolarHBondContact O-CA 3.42Å; G262-F295 VanDerWaalsContact O-CB 3.29Å; G262-F295 WeakPolarHBondContact O-CB 3.5Å; G262-F295 PolarHBondContact O-N 3.46Å; F264-F295 HydrophobicContact CB-CB 3.6Å; F264-F295 HydrophobicContact CB-CG 4.38Å; Y265-F295 HydrophobicContact CD2-CD2 4.14Å; Y265-F295 HydrophobicContact CD2-CE2 4.12Å; Y265-F295 HydrophobicContact CD2-CG 4.49Å; Y265-F295 HydrophobicContact CD2-CZ 4.45Å; Y265-F295 HydrophobicContact CE2-CD1 4.09Å; Y265-F295 HydrophobicContact CE2-CD2 4.18Å; Y265-F295 AromaticContact CE2-CE1 3.99Å; Y265-F295 HydrophobicContact CE2-CE1 3.99Å; Y265-F295 HydrophobicContact CE2-CE2 4.08Å; Y265-F295 HydrophobicContact CE2-CG 4.19Å; Y265-F295 AromaticContact CE2-CZ 3.99Å; Y265-F295 HydrophobicContact CE2-CZ 3.99Å; F295-V297 VanDerWaalsContact C-N 3.31Å; F295-V297 PolarHBondContact O-N 3.26Å; F295-E298 VanDerWaalsContact C-OE2 3.28Å; F295-E298 WeakPolarHBondContact CA-OE2 3.32Å; F295-E298 HydrophobicContact CB-CB 4.32Å; F295-E298 PolarHBondContact O-N 2.96Å; F295-T299 WeakPolarHBondContact O-CB 3.48Å; F295-T299 PolarHBondContact O-N 3.48Å; F295-T299 PolarHBondContact O-OG1 3.03Å; F295-H498 HydrophobicContact CE2-CB 4.08Å; F295-H498 AromaticContact CE2-ND1 3.78Å; F295-H498 HydrophobicContact CZ-CB 4.42Å; F295-P499 HydrophobicContact CE1-CG 4.49Å; F295-P499 HydrophobicContact CZ-CB 4.26Å; F295-P499 HydrophobicContact CZ-CG 4.4Å; F295-V501 HydrophobicContact CE1-CG2 4.28Å; F295-V501 HydrophobicContact CZ-CB 4.25Å; F295-V501 HydrophobicContact CZ-CG2 4.24Å
296	S	96.3	Very high	95.5	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-65.1	-36.9	-179.2	-60	0	0	0	0	111.8	D291 G293 T299 V300 F332 E335	D291-S296 PolarHBondContact N-OG 3.18Å; G293-S296 PolarHBondContact O-OG 2.9Å; S296-T299 PolarHBondContact O-N 3.37Å; S296-V300 WeakPolarHBondContact O-CB 3.27Å; S296-V300 VanDerWaalsContact O-CG1 3.28Å; S296-V300 WeakPolarHBondContact O-CG1 3.39Å; S296-V300 PolarHBondContact O-N 3.09Å; S296-F332 VanDerWaalsContact CB-CD2 3.45Å; S296-E335 WeakPolarHBondContact CB-OE2 3.19Å; S296-E335 PolarHBondContact N-OE1 2.93Å; S296-E335 PolarHBondContact N-OE2 3.36Å; S296-E335 PolarHBondContact OG-OE2 3Å
297	V	95.3	Very high	95.5	Very high	1 Å²	1	2.7 Å²	2.7	1%	0.006	2%	0.017	C	C	.	.	H	α-helix	trans	-62.7	-46.3	175.9	161.3	0	0	0	0	111.4	F295 V300 F301 F332 E335 V336 K339 Y340	F295-V297 VanDerWaalsContact C-N 3.31Å; F295-V297 PolarHBondContact O-N 3.26Å; V297-V300 WeakPolarHBondContact O-CG1 3.46Å; V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.91Å; V297-F301 WeakPolarHBondContact O-CB 3.49Å; V297-F301 VanDerWaalsContact O-CD2 3.25Å; V297-F301 WeakPolarHBondContact O-CD2 3.35Å; V297-F301 PolarHBondContact O-N 2.96Å; V297-F332 HydrophobicContact CG2-CE2 4.06Å; V297-E335 VanDerWaalsContact CB-OE1 3.23Å; V297-E335 WeakPolarHBondContact CB-OE1 3.36Å; V297-E335 HydrophobicContact CG2-CG 3.86Å; V297-E335 WeakPolarHBondContact CG2-OE1 3.47Å; V297-E335 PolarHBondContact N-OE1 3.44Å; V297-V336 HydrophobicContact CG2-CG2 3.8Å; V297-K339 HydrophobicContact CB-CD 3.9Å; V297-K339 HydrophobicContact CG1-CD 4Å; V297-K339 HydrophobicContact CG2-CD 4.02Å; V297-Y340 HydrophobicContact CG1-CE2 3.69Å
298	E	95.8	Very high	95.4	Very high	13 Å²	13	4 Å²	4	6%	0.061	2%	0.023	C	C	.	.	H	α-helix	trans	-66.3	-41.4	179.4	-65.6	73	-165.5	0	0	110.5	F200 F264 F295 T302 K339	F200-E298 HydrophobicContact CB-CB 4.11Å; F200-E298 HydrophobicContact CB-CG 3.84Å; F200-E298 HydrophobicContact CD1-CB 4.31Å; F200-E298 HydrophobicContact CD1-CG 3.67Å; F200-E298 HydrophobicContact CD2-CB 3.69Å; F200-E298 HydrophobicContact CD2-CG 3.99Å; F200-E298 HydrophobicContact CE1-CG 4.12Å; F200-E298 HydrophobicContact CE2-CB 4.09Å; F200-E298 HydrophobicContact CE2-CG 4.42Å; F200-E298 WeakPolarHBondContact CE2-O 3.37Å; F200-E298 HydrophobicContact CG-CB 3.81Å; F200-E298 HydrophobicContact CG-CG 3.58Å; F200-E298 HydrophobicContact CZ-CG 4.47Å; F264-E298 HydrophobicContact CB-CB 4.11Å; F264-E298 HydrophobicContact CD1-CB 4.22Å; F264-E298 HydrophobicContact CD2-CB 3.9Å; F264-E298 HydrophobicContact CE2-CB 4.41Å; F264-E298 HydrophobicContact CG-CB 3.8Å; F295-E298 VanDerWaalsContact C-OE2 3.28Å; F295-E298 WeakPolarHBondContact CA-OE2 3.32Å; F295-E298 HydrophobicContact CB-CB 4.32Å; F295-E298 PolarHBondContact O-N 2.96Å; E298-T302 VanDerWaalsContact O-CB 3.25Å; E298-T302 WeakPolarHBondContact O-CB 3.3Å; E298-T302 PolarHBondContact O-N 2.73Å; E298-T302 VanDerWaalsContact O-N 3.08Å; E298-T302 PolarHBondContact O-OG1 3.11Å; E298-K339 IonicContact OE1-NZ 2.74Å; E298-K339 PolarHBondContact OE1-NZ 3.21Å; E298-K339 IonicContact OE2-NZ 3.4Å; E298-K339 PolarHBondContact OE2-NZ 3.25Å
299	T	97.9	Very high	95.2	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-61.3	-54.7	175.6	-56.9	0	0	0	0	111.3	V260 G262 F264 L267 F289 F295 S296 T302 L303	V260-T299 HydrophobicContact CB-CG2 4.4Å; V260-T299 HydrophobicContact CG1-CG2 3.7Å; G262-T299 WeakPolarHBondContact CA-OG1 3.41Å; F264-T299 WeakPolarHBondContact CA-OG1 3.4Å; F264-T299 PolarHBondContact N-OG1 3.19Å; L267-T299 HydrophobicContact CD2-CG2 3.94Å; F289-T299 WeakPolarHBondContact O-CG2 3.24Å; F295-T299 WeakPolarHBondContact O-CB 3.48Å; F295-T299 PolarHBondContact O-N 3.48Å; F295-T299 PolarHBondContact O-OG1 3.03Å; S296-T299 PolarHBondContact O-N 3.37Å; T299-T302 WeakPolarHBondContact O-CB 3.41Å; T299-T302 PolarHBondContact O-N 3.01Å; T299-L303 HydrophobicContact CG2-CD1 4.37Å; T299-L303 WeakPolarHBondContact O-CG 3.42Å; T299-L303 PolarHBondContact O-N 2.83Å
300	V	97.3	Very high	95.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-68.7	-39.1	-175.5	75.2	0	0	0	0	112.5	V290 S296 V297 T302 L303 F304 F332 F348 F352	V290-V300 HydrophobicContact CG1-CB 3.96Å; V290-V300 HydrophobicContact CG1-CG1 4.48Å; V290-V300 HydrophobicContact CG1-CG2 4.3Å; S296-V300 WeakPolarHBondContact O-CB 3.27Å; S296-V300 VanDerWaalsContact O-CG1 3.28Å; S296-V300 WeakPolarHBondContact O-CG1 3.39Å; S296-V300 PolarHBondContact O-N 3.09Å; V297-V300 WeakPolarHBondContact O-CG1 3.46Å; V300-T302 VanDerWaalsContact C-N 3.3Å; V300-T302 PolarHBondContact O-N 3.18Å; V300-L303 PolarHBondContact O-N 3.33Å; V300-F304 HydrophobicContact CG2-CD1 4.1Å; V300-F304 HydrophobicContact CG2-CD2 4.1Å; V300-F304 HydrophobicContact CG2-CE1 3.63Å; V300-F304 HydrophobicContact CG2-CE2 3.65Å; V300-F304 HydrophobicContact CG2-CG 4.33Å; V300-F304 HydrophobicContact CG2-CZ 3.39Å; V300-F304 WeakPolarHBondContact O-CB 3.32Å; V300-F304 VanDerWaalsContact O-CG 3.25Å; V300-F304 WeakPolarHBondContact O-CG 3.3Å; V300-F304 PolarHBondContact O-N 2.86Å; V300-F332 HydrophobicContact CG1-CE2 4.07Å; V300-F332 HydrophobicContact CG1-CZ 4.03Å; V300-F348 HydrophobicContact CB-CE1 4.36Å; V300-F348 HydrophobicContact CG1-CD1 4.36Å; V300-F348 HydrophobicContact CG1-CE1 3.4Å; V300-F348 VanDerWaalsContact CG1-CE1 3.4Å; V300-F348 HydrophobicContact CG1-CZ 3.68Å; V300-F348 HydrophobicContact CG2-CD1 4.47Å; V300-F348 HydrophobicContact CG2-CE1 3.98Å; V300-F352 HydrophobicContact CG2-CE1 4.05Å; V300-F352 HydrophobicContact CG2-CZ 4.36Å
301	F	96.2	Very high	95.2	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.3	-33.2	174.6	-82.9	-56.3	0	0	0	112.3	F200 L206 A211 I229 L230 V297 S305 Y340 M344 F348	F200-F301 HydrophobicContact CE2-CB 3.96Å; F200-F301 HydrophobicContact CZ-CB 3.9Å; F200-F301 HydrophobicContact CZ-CD2 4.41Å; L206-F301 HydrophobicContact CD2-CD1 4.4Å; A211-F301 HydrophobicContact CB-CE1 4.04Å; A211-F301 HydrophobicContact CB-CE2 4.48Å; A211-F301 HydrophobicContact CB-CZ 3.67Å; I229-F301 HydrophobicContact CD1-CD1 4.24Å; I229-F301 HydrophobicContact CG2-CD1 4.03Å; I229-F301 HydrophobicContact CG2-CE1 4.36Å; L230-F301 HydrophobicContact CD2-CE1 3.94Å; L230-F301 HydrophobicContact CG-CE1 4.11Å; V297-F301 HydrophobicContact CG1-CD2 3.77Å; V297-F301 HydrophobicContact CG1-CE2 3.91Å; V297-F301 WeakPolarHBondContact O-CB 3.49Å; V297-F301 VanDerWaalsContact O-CD2 3.25Å; V297-F301 WeakPolarHBondContact O-CD2 3.35Å; V297-F301 PolarHBondContact O-N 2.96Å; F301-S305 VanDerWaalsContact O-CB 3.27Å; F301-S305 WeakPolarHBondContact O-CB 3.49Å; F301-S305 PolarHBondContact O-N 3.29Å; F301-S305 PolarHBondContact O-OG 2.93Å; F301-Y340 AromaticContact CE2-CE2 3.81Å; F301-Y340 HydrophobicContact CE2-CE2 3.81Å; F301-M344 HydrophobicContact CZ-SD 4.48Å; F301-F348 HydrophobicContact CD2-CZ 4.43Å; F301-F348 HydrophobicContact CE1-CZ 4.05Å; F301-F348 HydrophobicContact CE2-CE2 4.32Å; F301-F348 AromaticContact CE2-CZ 3.84Å; F301-F348 HydrophobicContact CE2-CZ 3.84Å; F301-F348 HydrophobicContact CZ-CE2 4.09Å; F301-F348 AromaticContact CZ-CZ 3.61Å; F301-F348 HydrophobicContact CZ-CZ 3.61Å
302	T	97.7	Very high	95.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-51.7	172.4	-65.4	0	0	0	0	111	L197 F264 L267 F271 E298 T299 V300 F304 S305 L306	L197-T302 HydrophobicContact CD2-CG2 3.61Å; L197-T302 WeakPolarHBondContact CD2-OG1 3.44Å; F264-T302 WeakPolarHBondContact CE2-OG1 3.49Å; L267-T302 HydrophobicContact CD2-CG2 4.04Å; F271-T302 HydrophobicContact CE2-CG2 4.06Å; E298-T302 VanDerWaalsContact O-CB 3.25Å; E298-T302 WeakPolarHBondContact O-CB 3.3Å; E298-T302 PolarHBondContact O-N 2.73Å; E298-T302 VanDerWaalsContact O-N 3.08Å; E298-T302 PolarHBondContact O-OG1 3.11Å; T299-T302 WeakPolarHBondContact O-CB 3.41Å; T299-T302 PolarHBondContact O-N 3.01Å; V300-T302 VanDerWaalsContact C-N 3.3Å; V300-T302 PolarHBondContact O-N 3.18Å; T302-F304 PolarHBondContact O-N 3.34Å; T302-S305 PolarHBondContact O-N 3.17Å; T302-L306 HydrophobicContact CG2-CD1 3.8Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 WeakPolarHBondContact O-CD1 3.41Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.07Å
303	L	98.5	Very high	95.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.3	-40.9	-179.6	-66.6	-177.5	0	0	0	112.8	L267 F285 F289 T299 V300 L306 K307 L316	L267-L303 HydrophobicContact CD1-CD2 4.25Å; L267-L303 HydrophobicContact CD2-CD2 3.98Å; L267-L303 HydrophobicContact CD2-CG 4.17Å; F285-L303 HydrophobicContact CB-CD1 4.42Å; F285-L303 HydrophobicContact CD1-CD1 4.37Å; F285-L303 HydrophobicContact CD1-CD2 3.87Å; F285-L303 HydrophobicContact CD2-CD2 3.67Å; F285-L303 HydrophobicContact CE1-CD2 3.81Å; F285-L303 HydrophobicContact CE2-CD2 3.59Å; F285-L303 HydrophobicContact CG-CD1 4.27Å; F285-L303 HydrophobicContact CG-CD2 3.81Å; F285-L303 HydrophobicContact CZ-CD2 3.68Å; F289-L303 HydrophobicContact CB-CD1 3.87Å; F289-L303 HydrophobicContact CD1-CD1 3.62Å; F289-L303 HydrophobicContact CD2-CD1 4.19Å; F289-L303 HydrophobicContact CE1-CD1 4.24Å; F289-L303 HydrophobicContact CG-CD1 3.6Å; T299-L303 HydrophobicContact CG2-CD1 4.37Å; T299-L303 WeakPolarHBondContact O-CG 3.42Å; T299-L303 PolarHBondContact O-N 2.83Å; V300-L303 PolarHBondContact O-N 3.33Å; L303-L306 HydrophobicContact CD2-CD1 4.44Å; L303-L306 PolarHBondContact O-N 2.84Å; L303-K307 PolarHBondContact O-N 2.99Å; L303-L316 HydrophobicContact CB-CD2 4.03Å; L303-L316 HydrophobicContact CD1-CD2 4.44Å
304	F	97.6	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.3	-42.6	175.3	-69.6	-4.2	0	0	0	111.7	I229 L230 I233 V300 T302 L306 K307 L308 L316 F348 V351 F352	I229-F304 HydrophobicContact CG2-CB 3.84Å; L230-F304 HydrophobicContact CD2-CD2 3.79Å; L230-F304 HydrophobicContact CD2-CE2 3.74Å; I233-F304 HydrophobicContact CB-CB 4.49Å; I233-F304 HydrophobicContact CB-CG 4.41Å; I233-F304 HydrophobicContact CD1-CB 4.41Å; I233-F304 HydrophobicContact CD1-CD1 4.38Å; I233-F304 HydrophobicContact CG1-CB 4.2Å; I233-F304 HydrophobicContact CG1-CD1 3.92Å; I233-F304 HydrophobicContact CG1-CD2 4.35Å; I233-F304 HydrophobicContact CG1-CE1 4.36Å; I233-F304 HydrophobicContact CG1-CG 3.91Å; I233-F304 HydrophobicContact CG2-CD2 3.84Å; I233-F304 HydrophobicContact CG2-CE2 4.09Å; I233-F304 HydrophobicContact CG2-CG 4.21Å; V300-F304 HydrophobicContact CG2-CD1 4.1Å; V300-F304 HydrophobicContact CG2-CD2 4.1Å; V300-F304 HydrophobicContact CG2-CE1 3.63Å; V300-F304 HydrophobicContact CG2-CE2 3.65Å; V300-F304 HydrophobicContact CG2-CG 4.33Å; V300-F304 HydrophobicContact CG2-CZ 3.39Å; V300-F304 WeakPolarHBondContact O-CB 3.32Å; V300-F304 VanDerWaalsContact O-CG 3.25Å; V300-F304 WeakPolarHBondContact O-CG 3.3Å; V300-F304 PolarHBondContact O-N 2.86Å; T302-F304 PolarHBondContact O-N 3.34Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.81Å; F304-K307 PolarHBondContact O-N 2.56Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 VanDerWaalsContact O-CG 3.28Å; F304-L308 WeakPolarHBondContact O-CG 3.33Å; F304-L308 PolarHBondContact O-N 3.03Å; F304-L316 HydrophobicContact CD1-CD1 3.83Å; F304-L316 HydrophobicContact CE1-CD1 4.15Å; F304-F348 HydrophobicContact CD2-CE1 4.31Å; F304-F348 AromaticContact CE2-CD1 3.94Å; F304-F348 HydrophobicContact CE2-CD1 3.94Å; F304-F348 AromaticContact CE2-CE1 3.68Å; F304-F348 HydrophobicContact CE2-CE1 3.68Å; F304-V351 HydrophobicContact CE1-CG1 4.14Å; F304-V351 HydrophobicContact CE2-CB 4.36Å; F304-V351 HydrophobicContact CE2-CG1 3.7Å; F304-V351 HydrophobicContact CZ-CB 4.3Å; F304-V351 HydrophobicContact CZ-CG1 3.39Å; F304-F352 HydrophobicContact CZ-CD1 4.33Å; F304-F352 AromaticContact CZ-CE1 3.94Å; F304-F352 HydrophobicContact CZ-CE1 3.94Å
305	S	96.4	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.5	-42.5	175.1	-59.1	0	0	0	0	111.5	L196 F301 T302 L308 L309	L196-S305 WeakPolarHBondContact CD2-OG 3.34Å; F301-S305 VanDerWaalsContact O-CB 3.27Å; F301-S305 WeakPolarHBondContact O-CB 3.49Å; F301-S305 PolarHBondContact O-N 3.29Å; F301-S305 PolarHBondContact O-OG 2.93Å; T302-S305 PolarHBondContact O-N 3.17Å; S305-L308 PolarHBondContact O-N 2.71Å; S305-L309 VanDerWaalsContact O-CB 3.27Å; S305-L309 WeakPolarHBondContact O-CB 3.23Å; S305-L309 PolarHBondContact O-N 2.76Å
306	L	98.1	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.1	-42.6	175.3	-76.6	163.5	0	0	0	112.8	L193 F271 M276 P277 T302 L303 F304 L309 Y310 V314	L193-L306 HydrophobicContact CD1-CG 4.29Å; L193-L306 HydrophobicContact CD2-CD2 3.49Å; L193-L306 VanDerWaalsContact CD2-CD2 3.49Å; L193-L306 HydrophobicContact CD2-CG 4.1Å; F271-L306 HydrophobicContact CE1-CD1 4.32Å; F271-L306 HydrophobicContact CE2-CD1 4.07Å; F271-L306 HydrophobicContact CZ-CD1 3.52Å; M276-L306 HydrophobicContact CE-CD2 4.38Å; P277-L306 HydrophobicContact CB-CD2 4.04Å; P277-L306 HydrophobicContact CG-CD1 4.13Å; P277-L306 HydrophobicContact CG-CD2 3.92Å; T302-L306 HydrophobicContact CG2-CD1 3.8Å; T302-L306 WeakPolarHBondContact O-CB 3.47Å; T302-L306 WeakPolarHBondContact O-CD1 3.41Å; T302-L306 VanDerWaalsContact O-CG 3.31Å; T302-L306 WeakPolarHBondContact O-CG 3.46Å; T302-L306 PolarHBondContact O-N 3.07Å; L303-L306 HydrophobicContact CD2-CD1 4.44Å; L303-L306 PolarHBondContact O-N 2.84Å; F304-L306 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 2.81Å; L306-L309 PolarHBondContact O-N 3.44Å; L306-Y310 PolarHBondContact O-N 3.01Å; L306-V314 HydrophobicContact CB-CG1 4.19Å; L306-V314 HydrophobicContact CB-CG2 4.27Å
307	K	97.9	Very high	97.4	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.013	9%	0.094	C	C	.	.	H	α-helix	trans	-66.4	-37.4	174.7	177.2	61.7	-179.5	177.3	0	112.4	I233 M236 M237 E240 L303 F304 Y310 P311 V314 L316	I233-K307 HydrophobicContact CD1-CB 3.83Å; I233-K307 HydrophobicContact CD1-CG 3.51Å; M236-K307 HydrophobicContact SD-CD 4.3Å; M236-K307 HydrophobicContact SD-CG 4.05Å; M237-K307 HydrophobicContact CE-CD 4.23Å; M237-K307 HydrophobicContact CE-CG 3.86Å; E240-K307 WeakPolarHBondContact OE1-CE 3.24Å; E240-K307 IonicContact OE1-NZ 2.67Å; E240-K307 PolarHBondContact OE1-NZ 2.9Å; L303-K307 PolarHBondContact O-N 2.99Å; F304-K307 PolarHBondContact O-N 2.56Å; K307-Y310 CarbonylContact O-C 3.54Å; K307-P311 PolarHBondContact NZ-O 2.72Å; K307-P311 WeakPolarHBondContact O-CA 3.36Å; K307-V314 HydrophobicContact CB-CG1 4.14Å; K307-V314 WeakPolarHBondContact CD-O 3.37Å; K307-V314 PolarHBondContact NZ-O 3.47Å; K307-L316 HydrophobicContact CB-CD1 3.88Å; K307-L316 HydrophobicContact CB-CG 4.35Å; K307-L316 HydrophobicContact CG-CD1 4.15Å
308	L	95.7	Very high	97.5	Very high	27 Å²	27	19.7 Å²	19.7	14%	0.141	9%	0.094	C	C	.	.	H	α-helix	trans	-68.7	-37.7	175.3	-71.1	177	0	0	0	112.9	V188 I229 D232 I233 M236 F304 S305	V188-L308 HydrophobicContact CB-CB 4.31Å; V188-L308 HydrophobicContact CG2-CB 4.09Å; V188-L308 HydrophobicContact CG2-CD1 3.95Å; I229-L308 HydrophobicContact CB-CD1 4.31Å; I229-L308 HydrophobicContact CG1-CD1 4.49Å; I229-L308 HydrophobicContact CG2-CD1 4Å; D232-L308 HydrophobicContact CB-CD1 3.95Å; D232-L308 HydrophobicContact CB-CD2 3.52Å; D232-L308 HydrophobicContact CB-CG 4.4Å; I233-L308 HydrophobicContact CB-CD2 4.35Å; I233-L308 HydrophobicContact CB-CG 4.49Å; I233-L308 HydrophobicContact CD1-CD2 4.28Å; I233-L308 HydrophobicContact CD1-CG 4.27Å; M236-L308 HydrophobicContact CE-CD2 3.67Å; M236-L308 HydrophobicContact SD-CD2 4.3Å; F304-L308 WeakPolarHBondContact O-CB 3.48Å; F304-L308 VanDerWaalsContact O-CG 3.28Å; F304-L308 WeakPolarHBondContact O-CG 3.33Å; F304-L308 PolarHBondContact O-N 3.03Å; S305-L308 PolarHBondContact O-N 2.71Å
309	L	95.7	Very high	97.7	Very high	36 Å²	36	19 Å²	19	19%	0.188	9%	0.091	C	C	.	.	H	α-helix	trans	-74.2	-37.5	178.9	-175.2	60.2	0	0	0	112.4	V188 V190 L193 S305 L306	V188-L309 HydrophobicContact CG1-CB 4.09Å; V190-L309 HydrophobicContact CG2-CD1 4.37Å; V190-L309 HydrophobicContact CG2-CD2 4.14Å; L193-L309 HydrophobicContact CB-CD2 4.45Å; L193-L309 HydrophobicContact CD2-CD2 3.86Å; S305-L309 VanDerWaalsContact O-CB 3.27Å; S305-L309 WeakPolarHBondContact O-CB 3.23Å; S305-L309 PolarHBondContact O-N 2.76Å; L306-L309 PolarHBondContact O-N 3.44Å
310	Y	97.6	Very high	97.6	Very high	41 Å²	41	19.1 Å²	19.1	16%	0.161	9%	0.092	C	C	.	.	S	Bend	trans	-128.1	63	-176.8	-56.5	-63.3	0	0	0	112.7	P277 E279 L306 K307 K312 H313 V314	P277-Y310 WeakPolarHBondContact O-CE2 3.14Å; E279-Y310 HydrophobicContact CG-CD1 4.07Å; E279-Y310 HydrophobicContact CG-CE1 4.34Å; L306-Y310 PolarHBondContact O-N 3.01Å; K307-Y310 CarbonylContact O-C 3.54Å; Y310-K312 PolarHBondContact O-N 3.11Å; Y310-H313 PolarHBondContact O-N 2.7Å; Y310-V314 HydrophobicContact CD2-CG2 4.48Å; Y310-V314 PolarHBondContact O-N 3.23Å
311	P	96.9	Very high	97.6	Very high	54 Å²	54	19.3 Å²	19.3	35%	0.351	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.3	-167.5	23.4	-35.3	0	0	0	115.8	M236 K307	M236-P311 HydrophobicContact CE-CB 3.73Å; M236-P311 HydrophobicContact CE-CG 4.45Å; M236-P311 HydrophobicContact SD-CB 3.82Å; K307-P311 PolarHBondContact NZ-O 2.72Å; K307-P311 WeakPolarHBondContact O-CA 3.36Å
312	K	97.4	Very high	97.7	Very high	167 Å²	167	19.3 Å²	19.3	73%	0.726	9%	0.092	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.2	0.8	177.6	-63.3	-174.1	176.7	-175.9	0	114.4	Y310 F315	Y310-K312 PolarHBondContact O-N 3.11Å; K312-F315 WeakPolarHBondContact O-CE2 3.38Å; K312-F315 VanDerWaalsContact O-CZ 3.23Å; K312-F315 WeakPolarHBondContact O-CZ 3.25Å
313	H	98.5	Very high	97.5	Very high	54 Å²	54	19.8 Å²	19.8	25%	0.25	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-21	-171.9	-53	107.6	0	0	0	112.8	P282 Y283 Y310	P282-H313 CarbonylContact C-O 3.6Å; P282-H313 WeakPolarHBondContact CA-O 3.4Å; P282-H313 HydrophobicContact CB-CB 4.02Å; P282-H313 WeakPolarHBondContact CB-O 3.36Å; Y283-H313 PolarHBondContact N-O 3.04Å; Y310-H313 PolarHBondContact O-N 2.7Å
314	V	98.7	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	135.5	165.4	175.8	0	0	0	0	108.3	P277 Y283 L306 K307 Y310 L316	P277-V314 HydrophobicContact CB-CG2 3.66Å; Y283-V314 CarbonylContact O-C 3.15Å; Y283-V314 WeakPolarHBondContact O-CA 3.49Å; L306-V314 HydrophobicContact CB-CG1 4.19Å; L306-V314 HydrophobicContact CB-CG2 4.27Å; K307-V314 HydrophobicContact CB-CG1 4.14Å; K307-V314 WeakPolarHBondContact CD-O 3.37Å; K307-V314 PolarHBondContact NZ-O 3.47Å; Y310-V314 HydrophobicContact CD2-CG2 4.48Å; Y310-V314 PolarHBondContact O-N 3.23Å; V314-L316 HydrophobicContact CG1-CD2 4.5Å
315	F	98.8	Very high	96.7	Very high	16 Å²	16	25.2 Å²	25.2	7%	0.07	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	145.9	-176.4	-62	-91.9	0	0	0	109.4	V244 I246 F254 Y283 L284 F285 K312 H359	V244-F315 HydrophobicContact CG1-CD1 4.11Å; V244-F315 HydrophobicContact CG1-CE1 3.98Å; I246-F315 HydrophobicContact CD1-CB 4.22Å; I246-F315 HydrophobicContact CD1-CD1 3.71Å; I246-F315 HydrophobicContact CD1-CD2 3.77Å; I246-F315 HydrophobicContact CD1-CE1 3.93Å; I246-F315 HydrophobicContact CD1-CE2 4Å; I246-F315 HydrophobicContact CD1-CG 3.62Å; I246-F315 HydrophobicContact CD1-CZ 4.07Å; I246-F315 HydrophobicContact CG1-CD1 4.02Å; I246-F315 HydrophobicContact CG1-CE1 3.78Å; I246-F315 HydrophobicContact CG1-CE2 4.33Å; I246-F315 HydrophobicContact CG1-CG 4.4Å; I246-F315 HydrophobicContact CG1-CZ 3.94Å; I246-F315 HydrophobicContact CG2-CE2 4.3Å; I246-F315 HydrophobicContact CG2-CZ 4.31Å; F254-F315 AromaticContact CE2-CD2 3.88Å; F254-F315 HydrophobicContact CE2-CD2 3.88Å; F254-F315 AromaticContact CE2-CE2 3.84Å; F254-F315 HydrophobicContact CE2-CE2 3.84Å; F254-F315 AromaticContact CZ-CD2 3.8Å; F254-F315 HydrophobicContact CZ-CD2 3.8Å; F254-F315 HydrophobicContact CZ-CE2 4.2Å; Y283-F315 PolarHBondContact O-N 2.96Å; L284-F315 WeakPolarHBondContact CA-O 3.36Å; L284-F315 HydrophobicContact CB-CB 4.21Å; L284-F315 HydrophobicContact CD1-CB 3.67Å; F285-F315 PolarHBondContact N-O 3.05Å; K312-F315 WeakPolarHBondContact O-CE2 3.38Å; K312-F315 VanDerWaalsContact O-CZ 3.23Å; K312-F315 WeakPolarHBondContact O-CZ 3.25Å; F315-H359 AromaticContact CD1-CD2 3.9Å; F315-H359 AromaticContact CD1-NE2 3.97Å
316	L	98.8	Very high	96.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.01	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	113.5	-174.5	-56.9	176.4	0	0	0	108.3	F285 F289 L303 F304 K307 V314 L355 H359	F285-L316 HydrophobicContact CB-CD2 4Å; F285-L316 HydrophobicContact CD2-CD2 4.08Å; F285-L316 HydrophobicContact CG-CD2 4.4Å; F285-L316 WeakPolarHBondContact O-CA 3.43Å; F289-L316 HydrophobicContact CE2-CB 4.11Å; F289-L316 HydrophobicContact CE2-CD2 4.31Å; F289-L316 HydrophobicContact CZ-CB 3.97Å; F289-L316 HydrophobicContact CZ-CD2 4.05Å; L303-L316 HydrophobicContact CB-CD2 4.03Å; L303-L316 HydrophobicContact CD1-CD2 4.44Å; F304-L316 HydrophobicContact CD1-CD1 3.83Å; F304-L316 HydrophobicContact CE1-CD1 4.15Å; K307-L316 HydrophobicContact CB-CD1 3.88Å; K307-L316 HydrophobicContact CB-CG 4.35Å; K307-L316 HydrophobicContact CG-CD1 4.15Å; V314-L316 HydrophobicContact CG1-CD2 4.5Å; L316-L355 HydrophobicContact CB-CD2 4.01Å; L316-H359 PolarHBondContact O-CE1 2.88Å
317	S	98.3	Very high	96.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	155.6	166.8	-53.8	0	0	0	0	110.2	F285 N286 G287 F289 P356 H359	F285-S317 PolarHBondContact O-N 2.89Å; N286-S317 VanDerWaalsContact OD1-CB 3.27Å; N286-S317 WeakPolarHBondContact OD1-CB 3.21Å; N286-S317 PolarHBondContact OD1-OG 3.43Å; G287-S317 WeakPolarHBondContact CA-O 3.21Å; G287-S317 PolarHBondContact N-O 3.41Å; F289-S317 WeakPolarHBondContact CZ-O 3.42Å; S317-P356 CarbonylContact C-O 3.43Å; S317-H359 PolarHBondContact OG-CE1 3.47Å; S317-H359 PolarHBondContact OG-ND1 3.29Å
318	R	98.6	Very high	95.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.			trans	-76.4	134.2	163	-161.1	-178.2	-175.8	162.6	9.1	110.2	E322 F352 N353 L355 P356 L357 H369 R388 K390 M398 L402	R318-E322 HydrophobicContact CG-CB 3.73Å; R318-E322 PolarHBondContact NE-O 3.49Å; R318-E322 PolarHBondContact NH2-O 3.09Å; R318-F352 WeakPolarHBondContact CD-O 3.15Å; R318-F352 VanDerWaalsContact CZ-O 3.28Å; R318-F352 PolarHBondContact NE-O 3.04Å; R318-N353 PolarHBondContact NH2-OD1 3.14Å; R318-L355 HydrophobicContact CB-CB 3.79Å; R318-L355 HydrophobicContact CB-CD1 4.41Å; R318-L355 HydrophobicContact CG-CB 4.21Å; R318-L355 HydrophobicContact CG-CD1 4.39Å; R318-P356 WeakPolarHBondContact CB-O 3.18Å; R318-P356 PolarHBondContact N-O 2.9Å; R318-L357 HydrophobicContact CB-CD2 4.11Å; R318-H369 WeakPolarHBondContact O-CB 3.41Å; R318-R388 PolarHBondContact NH1-O 2.91Å; R318-K390 PolarHBondContact NH1-O 3.4Å; R318-M398 VanDerWaalsContact NH1-CE 3.28Å; R318-L402 HydrophobicContact CB-CD2 4.39Å; R318-L402 WeakPolarHBondContact O-CD2 3.45Å
319	G	98.3	Very high	95.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.			trans	-102.7	-177.2	164.2	0	0	0	0	0	112.5	G287 D288 H321 E322 H369	G287-G319 VanDerWaalsContact CA-N 3.32Å; D288-G319 WeakPolarHBondContact OD1-CA 3.42Å; G319-H321 VanDerWaalsContact C-N 3.3Å; G319-E322 VanDerWaalsContact CA-OE2 3.29Å; G319-E322 WeakPolarHBondContact CA-OE2 3.41Å; G319-E322 PolarHBondContact N-OE2 2.94Å; G319-E322 PolarHBondContact O-N 3.44Å; G319-H369 VanDerWaalsContact CA-CD2 3.5Å; G319-H369 WeakPolarHBondContact CA-CD2 3.37Å
320	N	96.7	Very high	94.7	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.011	12%	0.119	C	C	.	.	S	Bend	trans	-72.8	-27.1	177.5	65.9	-67.1	0	0	0	111.7	D288 E322 S323 M326 H369 L402 W403 H444	D288-N320 PolarHBondContact OD1-N 3.38Å; D288-N320 PolarHBondContact OD1-OD1 3.09Å; D288-N320 PolarHBondContact OD2-OD1 2.96Å; D288-N320 VanDerWaalsContact OD2-OD1 3.13Å; N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.12Å; N320-S323 WeakPolarHBondContact O-CB 3.34Å; N320-S323 PolarHBondContact O-OG 3.48Å; N320-M326 VanDerWaalsContact O-CG 3.28Å; N320-M326 WeakPolarHBondContact O-CG 3.25Å; N320-H369 PolarHBondContact OD1-NE2 2.84Å; N320-L402 HydrophobicContact CB-CB 4.35Å; N320-W403 HydrophobicContact CB-CD2 3.88Å; N320-W403 HydrophobicContact CB-CE3 4.3Å; N320-W403 HydrophobicContact CB-CG 4.44Å; N320-W403 HydrophobicContact CB-CH2 4.18Å; N320-W403 HydrophobicContact CB-CZ2 3.69Å; N320-W403 HydrophobicContact CB-CZ3 4.44Å; N320-W403 WeakPolarHBondContact ND2-CH2 3.48Å; N320-W403 WeakPolarHBondContact ND2-CZ3 3.32Å; N320-H444 VanDerWaalsContact CG-CE1 3.42Å; N320-H444 PolarHBondContact OD1-CE1 3.45Å; N320-H444 PolarHBondContact OD1-ND1 2.92Å
321	H	96.8	Very high	94.4	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.014	11%	0.113	C	C	.	.	S	Bend	trans	-74.4	-14.2	174.6	-75.8	-102.6	0	0	0	113.7	H261 D288 D291 G319 S323 M326 N327 Y330	H261-H321 AromaticContact CE1-CD2 3.69Å; H261-H321 AromaticContact CE1-CG 3.94Å; H261-H321 AromaticContact CE1-NE2 3.86Å; D288-H321 HydrophobicContact CB-CB 4.46Å; D288-H321 WeakPolarHBondContact OD1-CB 3.28Å; D288-H321 IonicContact OD1-CD2 3.33Å; D288-H321 IonicContact OD1-CG 3.11Å; D288-H321 PolarHBondContact OD1-N 2.91Å; D288-H321 IonicContact OD2-CD2 3.03Å; D288-H321 PolarHBondContact OD2-CD2 3.41Å; D288-H321 IonicContact OD2-CG 2.71Å; D288-H321 IonicContact OD2-NE2 2.76Å; D291-H321 HydrophobicContact CB-CB 4.44Å; D291-H321 WeakPolarHBondContact CB-ND1 3.49Å; D291-H321 IonicContact OD2-CG 3.48Å; D291-H321 IonicContact OD2-ND1 3.36Å; D291-H321 PolarHBondContact OD2-ND1 3.1Å; G319-H321 VanDerWaalsContact C-N 3.3Å; H321-S323 PolarHBondContact O-N 3.04Å; H321-M326 HydrophobicContact CB-CB 4.49Å; H321-N327 PolarHBondContact O-ND2 3.5Å; H321-Y330 AromaticContact CE1-CD2 3.21Å; H321-Y330 WeakPolarHBondContact CE1-CD2 3.45Å; H321-Y330 AromaticContact CE1-CE2 3.64Å; H321-Y330 AromaticContact CE1-CG 3.97Å; H321-Y330 AromaticContact ND1-CD2 3.75Å
322	E	97.8	Very high	94.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-78.2	55	165.5	-75.5	78.3	-137.6	0	0	111.6	D288 F289 R318 G319 N320 F352 L355	D288-E322 PolarHBondContact N-OE1 2.8Å; D288-E322 PolarHBondContact N-OE2 3.3Å; F289-E322 HydrophobicContact CD2-CG 4.44Å; F289-E322 PolarHBondContact N-OE1 2.92Å; R318-E322 HydrophobicContact CG-CB 3.73Å; R318-E322 PolarHBondContact NE-O 3.49Å; R318-E322 PolarHBondContact NH2-O 3.09Å; G319-E322 VanDerWaalsContact CA-OE2 3.29Å; G319-E322 WeakPolarHBondContact CA-OE2 3.41Å; G319-E322 PolarHBondContact N-OE2 2.94Å; G319-E322 PolarHBondContact O-N 3.44Å; N320-E322 VanDerWaalsContact C-N 3.29Å; N320-E322 PolarHBondContact O-N 3.12Å; E322-F352 HydrophobicContact CB-CB 3.89Å; E322-F352 HydrophobicContact CB-CD1 4.09Å; E322-F352 HydrophobicContact CB-CD2 3.9Å; E322-F352 HydrophobicContact CB-CE2 4.42Å; E322-F352 HydrophobicContact CB-CG 3.71Å; E322-F352 HydrophobicContact CG-CB 4.44Å; E322-F352 HydrophobicContact CG-CD1 3.66Å; E322-F352 HydrophobicContact CG-CD2 4.01Å; E322-F352 HydrophobicContact CG-CE1 3.77Å; E322-F352 HydrophobicContact CG-CE2 4.1Å; E322-F352 HydrophobicContact CG-CG 3.79Å; E322-F352 HydrophobicContact CG-CZ 3.99Å; E322-L355 HydrophobicContact CB-CD1 4.19Å; E322-L355 HydrophobicContact CG-CD1 3.81Å
323	S	95	Very high	94.1	Very high	11 Å²	11	13.9 Å²	13.9	8%	0.077	7%	0.069	C	C	.	.	S	Bend	trans	-148.4	149	179.8	73	0	0	0	0	114.2	N320 H321 L325 M326 N327	N320-S323 WeakPolarHBondContact O-CB 3.34Å; N320-S323 PolarHBondContact O-OG 3.48Å; H321-S323 PolarHBondContact O-N 3.04Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 3.33Å; S323-M326 PolarHBondContact O-N 3.28Å; S323-M326 WeakPolarHBondContact OG-CG 3.48Å; S323-N327 PolarHBondContact O-N 2.79Å; S323-N327 PolarHBondContact O-OD1 2.93Å
324	E	91.6	Very high	93.8	Very high	55 Å²	55	12.4 Å²	12.4	26%	0.257	7%	0.068	S	C	.	.	H	α-helix	trans	-60.4	-33.9	-172.3	-175.6	-170.4	173.5	0	0	113.3	K147 K328 T349 Q391	K147-E324 IonicContact NZ-OE1 3.2Å; K147-E324 PolarHBondContact NZ-OE1 3.36Å; E324-K328 VanDerWaalsContact CD-NZ 3.32Å; E324-K328 HydrophobicContact CG-CD 4.46Å; E324-K328 VanDerWaalsContact CG-NZ 3.33Å; E324-K328 WeakPolarHBondContact O-CD 3.47Å; E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 IonicContact OE1-NZ 3.72Å; E324-K328 PolarHBondContact OE1-NZ 2.63Å; E324-T349 HydrophobicContact CB-CG2 4.23Å; E324-Q391 HydrophobicContact CB-CG 4.48Å
325	L	87.4	Confident	93.5	Very high	59 Å²	59	12.4 Å²	12.4	31%	0.309	7%	0.068	S	C	.	.	H	α-helix	trans	-73.1	-45.2	-179	-177.8	61.9	0	0	0	111.4	F114 S323 M329	F114-L325 HydrophobicContact CZ-CD1 4.09Å; S323-L325 VanDerWaalsContact C-N 3.29Å; S323-L325 PolarHBondContact O-N 3.33Å; L325-M329 HydrophobicContact CD1-CE 4.41Å; L325-M329 PolarHBondContact O-N 2.95Å
326	M	90.3	Very high	93.2	Very high	9 Å²	9	11.7 Å²	11.7	4%	0.044	7%	0.065	C	C	.	.	H	α-helix	trans	-65.7	-46	179.6	-62.1	-58.6	93	0	0	110.7	D291 N320 H321 S323 K328 M329 Y330 W403	D291-M326 VanDerWaalsContact OD2-C 3.27Å; N320-M326 VanDerWaalsContact O-CG 3.28Å; N320-M326 WeakPolarHBondContact O-CG 3.25Å; H321-M326 HydrophobicContact CB-CB 4.49Å; S323-M326 PolarHBondContact O-N 3.28Å; S323-M326 WeakPolarHBondContact OG-CG 3.48Å; M326-K328 PolarHBondContact O-N 3.26Å; M326-K328 VanDerWaalsContact O-N 3.13Å; M326-M329 WeakPolarHBondContact O-CB 3.39Å; M326-M329 PolarHBondContact O-N 3.1Å; M326-Y330 HydrophobicContact CB-CD2 4.21Å; M326-Y330 PolarHBondContact O-N 3.4Å; M326-Y330 HydrophobicContact SD-CD2 4.18Å; M326-Y330 HydrophobicContact SD-CE2 3.65Å; M326-W403 HydrophobicContact CE-CH2 4.42Å; M326-W403 HydrophobicContact CE-CZ2 4.49Å; M326-W403 HydrophobicContact CG-CZ2 4.46Å; M326-W403 HydrophobicContact SD-CH2 3.66Å; M326-W403 HydrophobicContact SD-CZ2 3.97Å
327	N	93.1	Very high	92.9	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-30.3	-177.6	-64.1	154	0	0	0	114.4	V290 D291 H321 S323 G331 F332 D333 F352	V290-N327 WeakPolarHBondContact CG2-ND2 3.42Å; D291-N327 WeakPolarHBondContact OD1-CA 3.19Å; D291-N327 WeakPolarHBondContact OD2-CA 3.48Å; D291-N327 PolarHBondContact OD2-N 3.49Å; D291-N327 PolarHBondContact OD2-ND2 3.25Å; H321-N327 PolarHBondContact O-ND2 3.5Å; S323-N327 PolarHBondContact O-N 2.79Å; S323-N327 PolarHBondContact O-OD1 2.93Å; N327-G331 CarbonylContact O-C 3.53Å; N327-G331 PolarHBondContact O-N 2.97Å; N327-F332 HydrophobicContact CB-CB 4.05Å; N327-F332 HydrophobicContact CB-CD1 4.18Å; N327-F332 PolarHBondContact O-N 3.41Å; N327-F332 VanDerWaalsContact O-N 3.14Å; N327-D333 HydrophobicContact CB-CB 4.14Å; N327-D333 WeakPolarHBondContact O-CB 3.22Å; N327-D333 PolarHBondContact O-N 3.09Å; N327-F352 WeakPolarHBondContact OD1-CE2 3.16Å
328	K	87.9	Confident	92.5	Very high	43 Å²	43	20.2 Å²	20.2	19%	0.187	11%	0.108	C	C	.	.	H	α-helix	trans	-79.7	-30.2	175	-71	172.6	-172	168.1	0	113.5	E324 M326 D333	E324-K328 VanDerWaalsContact CD-NZ 3.32Å; E324-K328 HydrophobicContact CG-CD 4.46Å; E324-K328 VanDerWaalsContact CG-NZ 3.33Å; E324-K328 WeakPolarHBondContact O-CD 3.47Å; E324-K328 WeakPolarHBondContact O-CG 3.49Å; E324-K328 IonicContact OE1-NZ 3.72Å; E324-K328 PolarHBondContact OE1-NZ 2.63Å; M326-K328 PolarHBondContact O-N 3.26Å; M326-K328 VanDerWaalsContact O-N 3.13Å; K328-D333 HydrophobicContact CG-CB 3.91Å
329	M	83.4	Confident	92.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-79	-40.7	-178.3	-167.2	169.6	-60.9	0	0	111.3	A110 L325 M326 F511 M514	A110-M329 HydrophobicContact CB-SD 4.36Å; L325-M329 HydrophobicContact CD1-CE 4.41Å; L325-M329 PolarHBondContact O-N 2.95Å; M326-M329 WeakPolarHBondContact O-CB 3.39Å; M326-M329 PolarHBondContact O-N 3.1Å; M329-F511 HydrophobicContact CE-CD1 4.06Å; M329-F511 HydrophobicContact CE-CE1 3.85Å; M329-F511 HydrophobicContact CG-CB 4.07Å; M329-F511 HydrophobicContact CG-CD1 3.69Å; M329-F511 HydrophobicContact CG-CD2 4.5Å; M329-F511 HydrophobicContact CG-CE1 4.22Å; M329-F511 HydrophobicContact CG-CG 3.85Å; M329-F511 HydrophobicContact SD-CD1 4.29Å; M329-M514 HydrophobicContact CG-SD 4.41Å; M329-M514 HydrophobicContact SD-SD 3.86Å
330	Y	87.8	Confident	91.6	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-114.4	-2.2	-166.9	-56.8	-52.1	0	0	0	115.4	E78 Y80 R292 H321 M326	E78-Y330 PolarHBondContact OE2-OH 2.85Å; Y80-Y330 PolarHBondContact OH-OH 2.88Å; R292-Y330 VanDerWaalsContact CZ-CE1 3.46Å; R292-Y330 PolarHBondContact N-O 3.22Å; R292-Y330 PolarHBondContact NH2-OH 3.41Å; R292-Y330 VanDerWaalsContact NH2-OH 3.16Å; H321-Y330 AromaticContact CE1-CD2 3.21Å; H321-Y330 WeakPolarHBondContact CE1-CD2 3.45Å; H321-Y330 AromaticContact CE1-CE2 3.64Å; H321-Y330 AromaticContact CE1-CG 3.97Å; H321-Y330 AromaticContact ND1-CD2 3.75Å; M326-Y330 HydrophobicContact CB-CD2 4.21Å; M326-Y330 PolarHBondContact O-N 3.4Å; M326-Y330 HydrophobicContact SD-CD2 4.18Å; M326-Y330 HydrophobicContact SD-CE2 3.65Å
331	G	90.1	Very high	91.2	Very high	4 Å²	4	25 Å²	25	4%	0.041	13%	0.133	C	C	.	.	S	Bend	trans	121.1	-12.2	152.4	0	0	0	0	0	116.9	D291 N327 D333 G334 E335	D291-G331 PolarHBondContact OD1-N 3.01Å; N327-G331 CarbonylContact O-C 3.53Å; N327-G331 PolarHBondContact O-N 2.97Å; G331-D333 PolarHBondContact O-N 3.43Å; G331-G334 CarbonylContact O-C 3.6Å; G331-G334 PolarHBondContact O-N 3.15Å; G331-G334 VanDerWaalsContact O-N 3.12Å; G331-E335 WeakPolarHBondContact O-CB 3.28Å; G331-E335 PolarHBondContact O-N 3.09Å
332	F	94.7	Very high	90.6	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-61.1	-41.4	-178	-179.1	-119.9	0	0	0	113.3	V290 D291 S296 V297 V300 N327 G334 E335 V336 F348 F352	V290-F332 HydrophobicContact CB-CB 4.08Å; V290-F332 HydrophobicContact CB-CD1 4.18Å; V290-F332 HydrophobicContact CB-CD2 3.85Å; V290-F332 HydrophobicContact CB-CE2 4.3Å; V290-F332 HydrophobicContact CB-CG 3.76Å; V290-F332 HydrophobicContact CG1-CD1 4.31Å; V290-F332 HydrophobicContact CG1-CD2 3.86Å; V290-F332 HydrophobicContact CG1-CE1 4.26Å; V290-F332 HydrophobicContact CG1-CE2 3.78Å; V290-F332 HydrophobicContact CG1-CG 4.11Å; V290-F332 HydrophobicContact CG1-CZ 3.99Å; V290-F332 HydrophobicContact CG2-CB 4.21Å; V290-F332 HydrophobicContact CG2-CD1 4.02Å; V290-F332 HydrophobicContact CG2-CG 4.01Å; D291-F332 VanDerWaalsContact OD1-CB 3.24Å; D291-F332 WeakPolarHBondContact OD1-CB 3.33Å; D291-F332 PolarHBondContact OD1-N 2.87Å; S296-F332 VanDerWaalsContact CB-CD2 3.45Å; V297-F332 HydrophobicContact CG2-CE2 4.06Å; V300-F332 HydrophobicContact CG1-CE2 4.07Å; V300-F332 HydrophobicContact CG1-CZ 4.03Å; N327-F332 HydrophobicContact CB-CB 4.05Å; N327-F332 HydrophobicContact CB-CD1 4.18Å; N327-F332 PolarHBondContact O-N 3.41Å; N327-F332 VanDerWaalsContact O-N 3.14Å; F332-G334 VanDerWaalsContact C-N 3.31Å; F332-G334 PolarHBondContact O-N 3.11Å; F332-E335 PolarHBondContact O-N 2.91Å; F332-V336 HydrophobicContact CD1-CG2 4.43Å; F332-V336 HydrophobicContact CD2-CG2 3.91Å; F332-V336 HydrophobicContact CE1-CG2 4.01Å; F332-V336 HydrophobicContact CE2-CG2 3.46Å; F332-V336 VanDerWaalsContact CE2-CG2 3.46Å; F332-V336 HydrophobicContact CG-CG2 4.39Å; F332-V336 HydrophobicContact CZ-CG2 3.52Å; F332-V336 WeakPolarHBondContact O-CB 2.72Å; F332-V336 VanDerWaalsContact O-CG2 3.31Å; F332-V336 WeakPolarHBondContact O-CG2 3.44Å; F332-V336 PolarHBondContact O-N 3.37Å; F332-F348 HydrophobicContact CE1-CB 3.86Å; F332-F348 HydrophobicContact CE1-CD1 4.1Å; F332-F348 HydrophobicContact CE1-CD2 4.28Å; F332-F348 AromaticContact CE1-CG 3.84Å; F332-F348 HydrophobicContact CE1-CG 3.84Å; F332-F348 HydrophobicContact CZ-CB 4.24Å; F332-F348 AromaticContact CZ-CD1 3.72Å; F332-F348 HydrophobicContact CZ-CD1 3.72Å; F332-F348 AromaticContact CZ-CD2 3.88Å; F332-F348 HydrophobicContact CZ-CD2 3.88Å; F332-F348 AromaticContact CZ-CE1 3.94Å; F332-F348 HydrophobicContact CZ-CE1 3.94Å; F332-F348 HydrophobicContact CZ-CE2 4.09Å; F332-F348 AromaticContact CZ-CG 3.69Å; F332-F348 HydrophobicContact CZ-CG 3.69Å; F332-F348 HydrophobicContact CZ-CZ 4.11Å; F332-F352 AromaticContact CD1-CE2 3.75Å; F332-F352 HydrophobicContact CD1-CE2 3.75Å; F332-F352 HydrophobicContact CD1-CZ 4.11Å; F332-F352 AromaticContact CE1-CE2 3.41Å; F332-F352 HydrophobicContact CE1-CE2 3.41Å; F332-F352 VanDerWaalsContact CE1-CE2 3.41Å; F332-F352 AromaticContact CE1-CZ 3.44Å; F332-F352 HydrophobicContact CE1-CZ 3.44Å; F332-F352 VanDerWaalsContact CE1-CZ 3.44Å; F332-F352 HydrophobicContact CZ-CE2 4.38Å; F332-F352 AromaticContact CZ-CZ 3.98Å; F332-F352 HydrophobicContact CZ-CZ 3.98Å
333	D	93.2	Very high	89.9	Confident	25 Å²	25	28.7 Å²	28.7	13%	0.134	16%	0.155	C	C	.	.	H	α-helix	trans	-62.1	-40.7	175.7	173	-90.5	0	0	0	111.2	N327 K328 G331 R337	N327-D333 HydrophobicContact CB-CB 4.14Å; N327-D333 WeakPolarHBondContact O-CB 3.22Å; N327-D333 PolarHBondContact O-N 3.09Å; K328-D333 HydrophobicContact CG-CB 3.91Å; G331-D333 PolarHBondContact O-N 3.43Å; D333-R337 WeakPolarHBondContact O-CB 3.43Å; D333-R337 WeakPolarHBondContact O-CG 3.27Å; D333-R337 PolarHBondContact O-N 2.71Å; D333-R337 WeakPolarHBondContact OD1-CD 3.11Å; D333-R337 IonicContact OD1-CZ 3.22Å; D333-R337 IonicContact OD1-NE 3.94Å; D333-R337 PolarHBondContact OD1-NE 2.93Å; D333-R337 IonicContact OD1-NH2 3.68Å; D333-R337 IonicContact OD2-CZ 3.65Å; D333-R337 IonicContact OD2-NE 3.48Å; D333-R337 PolarHBondContact OD2-NE 3.3Å; D333-R337 VanDerWaalsContact OD2-NE 3.11Å; D333-R337 IonicContact OD2-NH2 2.72Å; D333-R337 PolarHBondContact OD2-NH2 3Å
334	G	92.1	Very high	89.5	Confident	22 Å²	22	28.1 Å²	28.1	23%	0.227	15%	0.151	C	C	.	.	H	α-helix	trans	-67.4	-38.4	174.9	0	0	0	0	0	112.9	G331 F332 R337 S338	G331-G334 CarbonylContact O-C 3.6Å; G331-G334 PolarHBondContact O-N 3.15Å; G331-G334 VanDerWaalsContact O-N 3.12Å; F332-G334 VanDerWaalsContact C-N 3.31Å; F332-G334 PolarHBondContact O-N 3.11Å; G334-R337 PolarHBondContact O-N 2.86Å; G334-S338 VanDerWaalsContact O-CB 3.28Å; G334-S338 WeakPolarHBondContact O-CB 3.45Å; G334-S338 PolarHBondContact O-N 2.8Å
335	E	93.5	Very high	89.4	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-48.5	178.5	-174.8	-177.7	152.9	0	0	110.1	S296 V297 G331 F332 R337 S338 K339 Y506	S296-E335 WeakPolarHBondContact CB-OE2 3.19Å; S296-E335 PolarHBondContact N-OE1 2.93Å; S296-E335 PolarHBondContact N-OE2 3.36Å; S296-E335 PolarHBondContact OG-OE2 3Å; V297-E335 VanDerWaalsContact CB-OE1 3.23Å; V297-E335 WeakPolarHBondContact CB-OE1 3.36Å; V297-E335 HydrophobicContact CG2-CG 3.86Å; V297-E335 WeakPolarHBondContact CG2-OE1 3.47Å; V297-E335 PolarHBondContact N-OE1 3.44Å; G331-E335 WeakPolarHBondContact O-CB 3.28Å; G331-E335 PolarHBondContact O-N 3.09Å; F332-E335 PolarHBondContact O-N 2.91Å; E335-R337 VanDerWaalsContact C-N 3.35Å; E335-R337 PolarHBondContact O-N 3.49Å; E335-S338 PolarHBondContact O-N 3.13Å; E335-K339 HydrophobicContact CG-CD 3.83Å; E335-K339 HydrophobicContact CG-CG 4.33Å; E335-K339 WeakPolarHBondContact O-CB 3.37Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; E335-K339 PolarHBondContact O-N 2.73Å; E335-K339 WeakPolarHBondContact OE1-CE 3.2Å; E335-K339 IonicContact OE1-NZ 2.78Å; E335-K339 PolarHBondContact OE1-NZ 2.7Å; E335-Y506 HydrophobicContact CB-CD1 4.45Å; E335-Y506 HydrophobicContact CB-CD2 3.58Å; E335-Y506 HydrophobicContact CB-CE2 4.21Å; E335-Y506 HydrophobicContact CB-CG 3.72Å; E335-Y506 HydrophobicContact CG-CD2 3.57Å; E335-Y506 HydrophobicContact CG-CE2 3.68Å; E335-Y506 HydrophobicContact CG-CG 4.11Å; E335-Y506 VanDerWaalsContact N-CB 3.34Å
336	V	92.9	Very high	89.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.5	-40.9	176.2	174.7	0	0	0	0	111.3	V297 F332 Y340 S341 M344 A345 F348	V297-V336 HydrophobicContact CG2-CG2 3.8Å; F332-V336 HydrophobicContact CD1-CG2 4.43Å; F332-V336 HydrophobicContact CD2-CG2 3.91Å; F332-V336 HydrophobicContact CE1-CG2 4.01Å; F332-V336 HydrophobicContact CE2-CG2 3.46Å; F332-V336 VanDerWaalsContact CE2-CG2 3.46Å; F332-V336 HydrophobicContact CG-CG2 4.39Å; F332-V336 HydrophobicContact CZ-CG2 3.52Å; F332-V336 WeakPolarHBondContact O-CB 2.72Å; F332-V336 VanDerWaalsContact O-CG2 3.31Å; F332-V336 WeakPolarHBondContact O-CG2 3.44Å; F332-V336 PolarHBondContact O-N 3.37Å; V336-Y340 CarbonylContact O-C 3.52Å; V336-Y340 WeakPolarHBondContact O-CA 3.4Å; V336-Y340 PolarHBondContact O-N 3Å; V336-S341 PolarHBondContact O-N 3.49Å; V336-S341 VanDerWaalsContact O-N 3.14Å; V336-M344 HydrophobicContact CG1-CB 3.6Å; V336-M344 HydrophobicContact CG1-CG 3.47Å; V336-M344 VanDerWaalsContact CG1-CG 3.47Å; V336-A345 HydrophobicContact CB-CB 4.18Å; V336-A345 HydrophobicContact CG1-CB 3.86Å; V336-F348 HydrophobicContact CG1-CD2 3.97Å; V336-F348 HydrophobicContact CG1-CE2 4.18Å; V336-F348 HydrophobicContact CG2-CD2 3.78Å; V336-F348 HydrophobicContact CG2-CE2 3.84Å
337	R	91.9	Very high	89.5	Confident	108 Å²	108	26.9 Å²	26.9	41%	0.408	15%	0.145	S	C	.	.	H	α-helix	trans	-65.1	-36.7	175	-75.1	173.9	-160	-74	-17.5	112.9	D333 G334 E335	D333-R337 WeakPolarHBondContact O-CB 3.43Å; D333-R337 WeakPolarHBondContact O-CG 3.27Å; D333-R337 PolarHBondContact O-N 2.71Å; D333-R337 WeakPolarHBondContact OD1-CD 3.11Å; D333-R337 IonicContact OD1-CZ 3.22Å; D333-R337 IonicContact OD1-NE 3.94Å; D333-R337 PolarHBondContact OD1-NE 2.93Å; D333-R337 IonicContact OD1-NH2 3.68Å; D333-R337 IonicContact OD2-CZ 3.65Å; D333-R337 IonicContact OD2-NE 3.48Å; D333-R337 PolarHBondContact OD2-NE 3.3Å; D333-R337 VanDerWaalsContact OD2-NE 3.11Å; D333-R337 IonicContact OD2-NH2 2.72Å; D333-R337 PolarHBondContact OD2-NH2 3Å; G334-R337 PolarHBondContact O-N 2.86Å; E335-R337 VanDerWaalsContact C-N 3.35Å; E335-R337 PolarHBondContact O-N 3.49Å
338	S	90.3	Very high	89.5	Confident	74 Å²	74	26.8 Å²	26.8	52%	0.517	14%	0.144	S	C	.	.	H	α-helix	trans	-76.8	-37.9	178.2	-177.1	0	0	0	0	112.7	G334 E335	G334-S338 VanDerWaalsContact O-CB 3.28Å; G334-S338 WeakPolarHBondContact O-CB 3.45Å; G334-S338 PolarHBondContact O-N 2.8Å; E335-S338 PolarHBondContact O-N 3.13Å
339	K	89.4	Confident	89.8	Confident	21 Å²	21	25.9 Å²	25.9	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-81.3	-33.7	-179.4	-66.5	-175.6	-177.5	173.1	0	112.2	K205 S294 V297 E298 E335 Y506	K205-K339 HydrophobicContact CD-CB 4.41Å; K205-K339 PolarHBondContact NZ-O 3.05Å; S294-K339 PolarHBondContact O-NZ 3.41Å; V297-K339 HydrophobicContact CB-CD 3.9Å; V297-K339 HydrophobicContact CG1-CD 4Å; V297-K339 HydrophobicContact CG2-CD 4.02Å; E298-K339 IonicContact OE1-NZ 2.74Å; E298-K339 PolarHBondContact OE1-NZ 3.21Å; E298-K339 IonicContact OE2-NZ 3.4Å; E298-K339 PolarHBondContact OE2-NZ 3.25Å; E335-K339 HydrophobicContact CG-CD 3.83Å; E335-K339 HydrophobicContact CG-CG 4.33Å; E335-K339 WeakPolarHBondContact O-CB 3.37Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; E335-K339 PolarHBondContact O-N 2.73Å; E335-K339 WeakPolarHBondContact OE1-CE 3.2Å; E335-K339 IonicContact OE1-NZ 2.78Å; E335-K339 PolarHBondContact OE1-NZ 2.7Å; K339-Y506 WeakPolarHBondContact CE-OH 3.3Å
340	Y	88.9	Confident	90.3	Very high	44 Å²	44	28.3 Å²	28.3	17%	0.173	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.2	-90.7	-176.9	-58.7	-77.6	0	0	0	114.1	L206 V297 F301 V336 M344	L206-Y340 WeakPolarHBondContact O-CE1 3.09Å; L206-Y340 PolarHBondContact O-OH 3.32Å; L206-Y340 VanDerWaalsContact O-OH 3.09Å; V297-Y340 HydrophobicContact CG1-CE2 3.69Å; F301-Y340 AromaticContact CE2-CE2 3.81Å; F301-Y340 HydrophobicContact CE2-CE2 3.81Å; V336-Y340 CarbonylContact O-C 3.52Å; V336-Y340 WeakPolarHBondContact O-CA 3.4Å; V336-Y340 PolarHBondContact O-N 3Å; Y340-M344 HydrophobicContact CD1-CE 4.21Å; Y340-M344 HydrophobicContact CD2-CG 4.33Å; Y340-M344 HydrophobicContact CG-CE 4.1Å; Y340-M344 HydrophobicContact CG-CG 4.32Å
341	S	87.1	Confident	90.6	Very high	37 Å²	37	28.2 Å²	28.2	26%	0.259	15%	0.153	S	C	.	.			trans	-164.2	167.1	-172.8	78.9	0	0	0	0	112.7	V336 Q343 M344 A345	V336-S341 PolarHBondContact O-N 3.49Å; V336-S341 VanDerWaalsContact O-N 3.14Å; S341-Q343 PolarHBondContact OG-N 3.48Å; S341-M344 WeakPolarHBondContact O-CB 3.3Å; S341-M344 PolarHBondContact O-N 3.46Å; S341-M344 PolarHBondContact OG-N 3.21Å; S341-A345 PolarHBondContact O-N 2.97Å
342	G	85.1	Confident	91	Very high	20 Å²	20	28 Å²	28	21%	0.206	15%	0.151	C	C	.	.	H	α-helix	trans	-65.2	-35.6	173.3	0	0	0	0	0	114.3	M344 A345 E346	G342-M344 VanDerWaalsContact C-N 3.3Å; G342-M344 PolarHBondContact O-N 3.42Å; G342-A345 WeakPolarHBondContact O-CB 3.25Å; G342-A345 PolarHBondContact O-N 2.91Å; G342-A345 VanDerWaalsContact O-N 3.14Å; G342-E346 PolarHBondContact O-N 3.06Å; G342-E346 VanDerWaalsContact O-N 3.14Å
343	Q	83.2	Confident	91.1	Very high	60 Å²	60	28.5 Å²	28.5	28%	0.28	15%	0.154	S	C	.	.	H	α-helix	trans	-64.7	-35.5	176.5	-175.1	174.5	49.1	0	0	111.7	I167 S341 A345 E346 M347	I167-Q343 HydrophobicContact CD1-CG 4.05Å; S341-Q343 PolarHBondContact OG-N 3.48Å; Q343-A345 VanDerWaalsContact C-N 3.32Å; Q343-A345 PolarHBondContact O-N 2.62Å; Q343-E346 PolarHBondContact O-N 3.34Å; Q343-M347 WeakPolarHBondContact O-CG 3.46Å; Q343-M347 PolarHBondContact O-N 2.85Å
344	M	86.2	Confident	91.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-39.7	173.1	-172.9	72.4	71.6	0	0	111.3	A211 F212 L230 F301 V336 Y340 S341 G342 M347 F348	A211-M344 HydrophobicContact CB-CE 3.67Å; A211-M344 HydrophobicContact CB-SD 4.4Å; F212-M344 HydrophobicContact CD1-CE 3.85Å; F212-M344 HydrophobicContact CD2-CE 4.16Å; F212-M344 HydrophobicContact CE1-CE 3.58Å; F212-M344 HydrophobicContact CE1-SD 4.29Å; F212-M344 HydrophobicContact CE2-CE 3.91Å; F212-M344 HydrophobicContact CG-CE 4.13Å; F212-M344 HydrophobicContact CZ-CE 3.62Å; L230-M344 HydrophobicContact CD1-CG 4.49Å; L230-M344 HydrophobicContact CD1-SD 3.34Å; L230-M344 WeakPolarHBondContact CD1-SD 3.35Å; L230-M344 HydrophobicContact CG-SD 4.41Å; F301-M344 HydrophobicContact CZ-SD 4.48Å; V336-M344 HydrophobicContact CG1-CB 3.6Å; V336-M344 HydrophobicContact CG1-CG 3.47Å; V336-M344 VanDerWaalsContact CG1-CG 3.47Å; Y340-M344 HydrophobicContact CD1-CE 4.21Å; Y340-M344 HydrophobicContact CD2-CG 4.33Å; Y340-M344 HydrophobicContact CG-CE 4.1Å; Y340-M344 HydrophobicContact CG-CG 4.32Å; S341-M344 WeakPolarHBondContact O-CB 3.3Å; S341-M344 PolarHBondContact O-N 3.46Å; S341-M344 PolarHBondContact OG-N 3.21Å; G342-M344 VanDerWaalsContact C-N 3.3Å; G342-M344 PolarHBondContact O-N 3.42Å; M344-M347 PolarHBondContact O-N 3.04Å; M344-F348 HydrophobicContact CG-CD2 4.02Å; M344-F348 HydrophobicContact CG-CE2 3.83Å; M344-F348 VanDerWaalsContact O-CD2 3.26Å; M344-F348 WeakPolarHBondContact O-CD2 3.42Å; M344-F348 PolarHBondContact O-N 2.89Å; M344-F348 HydrophobicContact SD-CE2 4.23Å
345	A	89.9	Confident	91.6	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-67.1	-37	177.6	0	0	0	0	0	112.1	V336 S341 G342 Q343 F348 T349	V336-A345 HydrophobicContact CB-CB 4.18Å; V336-A345 HydrophobicContact CG1-CB 3.86Å; S341-A345 PolarHBondContact O-N 2.97Å; G342-A345 WeakPolarHBondContact O-CB 3.25Å; G342-A345 PolarHBondContact O-N 2.91Å; G342-A345 VanDerWaalsContact O-N 3.14Å; Q343-A345 VanDerWaalsContact C-N 3.32Å; Q343-A345 PolarHBondContact O-N 2.62Å; A345-F348 PolarHBondContact O-N 3.01Å; A345-T349 PolarHBondContact O-N 2.87Å; A345-T349 PolarHBondContact O-OG1 2.83Å
346	E	89.8	Confident	91.8	Very high	92 Å²	92	26.3 Å²	26.3	43%	0.43	14%	0.137	S	C	.	.	H	α-helix	trans	-65.2	-39.8	172.4	-68	162.3	-162	0	0	111.8	P163 G342 Q343 T349 E350	P163-E346 HydrophobicContact CB-CB 3.95Å; P163-E346 HydrophobicContact CG-CB 3.74Å; G342-E346 PolarHBondContact O-N 3.06Å; G342-E346 VanDerWaalsContact O-N 3.14Å; Q343-E346 PolarHBondContact O-N 3.34Å; E346-T349 WeakPolarHBondContact O-CB 3.49Å; E346-T349 PolarHBondContact O-N 2.92Å; E346-E350 PolarHBondContact O-N 2.9Å; E346-E350 VanDerWaalsContact O-N 3.13Å
347	M	89.4	Confident	92.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-41.9	173.5	-68.2	167.8	71.5	0	0	112.8	P163 F164 I167 F212 L230 V231 Q343 M344 T349 E350 V351	P163-M347 HydrophobicContact CB-CG 3.93Å; F164-M347 HydrophobicContact CD1-CE 3.63Å; F164-M347 HydrophobicContact CD1-CG 4.16Å; F164-M347 HydrophobicContact CE1-CB 4.08Å; F164-M347 HydrophobicContact CE1-CE 3.46Å; F164-M347 VanDerWaalsContact CE1-CE 3.46Å; F164-M347 HydrophobicContact CE1-CG 4.08Å; F164-M347 HydrophobicContact CZ-CB 4.2Å; I167-M347 HydrophobicContact CD1-CE 4.26Å; I167-M347 HydrophobicContact CD1-SD 3.54Å; I167-M347 VanDerWaalsContact CD1-SD 3.54Å; F212-M347 HydrophobicContact CD1-CE 3.98Å; F212-M347 HydrophobicContact CD1-SD 3.67Å; F212-M347 HydrophobicContact CE1-SD 3.74Å; L230-M347 HydrophobicContact CB-CE 4.08Å; L230-M347 HydrophobicContact CD1-CB 3.91Å; L230-M347 HydrophobicContact CD1-CE 4.11Å; V231-M347 HydrophobicContact CG2-CE 4.43Å; Q343-M347 WeakPolarHBondContact O-CG 3.46Å; Q343-M347 PolarHBondContact O-N 2.85Å; M344-M347 PolarHBondContact O-N 3.04Å; M347-T349 VanDerWaalsContact C-N 3.29Å; M347-T349 PolarHBondContact O-N 3.47Å; M347-E350 PolarHBondContact O-N 3.48Å; M347-V351 WeakPolarHBondContact O-CG2 3.27Å; M347-V351 PolarHBondContact O-N 3.01Å
348	F	93.7	Very high	92.4	Very high	1 Å²	1	21.2 Å²	21.2	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-59.8	-41.5	173.1	-87.7	-69.4	0	0	0	111.8	L230 V300 F301 F304 F332 V336 M344 A345 E350 V351 F352	L230-F348 HydrophobicContact CD1-CD2 4.24Å; L230-F348 HydrophobicContact CD1-CE2 4.17Å; L230-F348 HydrophobicContact CD1-CG 4.48Å; L230-F348 HydrophobicContact CD1-CZ 4.35Å; L230-F348 HydrophobicContact CD2-CD1 3.97Å; L230-F348 HydrophobicContact CD2-CE1 3.57Å; L230-F348 HydrophobicContact CD2-CE2 4.47Å; L230-F348 HydrophobicContact CD2-CZ 3.86Å; V300-F348 HydrophobicContact CB-CE1 4.36Å; V300-F348 HydrophobicContact CG1-CD1 4.36Å; V300-F348 HydrophobicContact CG1-CE1 3.4Å; V300-F348 VanDerWaalsContact CG1-CE1 3.4Å; V300-F348 HydrophobicContact CG1-CZ 3.68Å; V300-F348 HydrophobicContact CG2-CD1 4.47Å; V300-F348 HydrophobicContact CG2-CE1 3.98Å; F301-F348 HydrophobicContact CD2-CZ 4.43Å; F301-F348 HydrophobicContact CE1-CZ 4.05Å; F301-F348 HydrophobicContact CE2-CE2 4.32Å; F301-F348 AromaticContact CE2-CZ 3.84Å; F301-F348 HydrophobicContact CE2-CZ 3.84Å; F301-F348 HydrophobicContact CZ-CE2 4.09Å; F301-F348 AromaticContact CZ-CZ 3.61Å; F301-F348 HydrophobicContact CZ-CZ 3.61Å; F304-F348 HydrophobicContact CD2-CE1 4.31Å; F304-F348 AromaticContact CE2-CD1 3.94Å; F304-F348 HydrophobicContact CE2-CD1 3.94Å; F304-F348 AromaticContact CE2-CE1 3.68Å; F304-F348 HydrophobicContact CE2-CE1 3.68Å; F332-F348 HydrophobicContact CE1-CB 3.86Å; F332-F348 HydrophobicContact CE1-CD1 4.1Å; F332-F348 HydrophobicContact CE1-CD2 4.28Å; F332-F348 AromaticContact CE1-CG 3.84Å; F332-F348 HydrophobicContact CE1-CG 3.84Å; F332-F348 HydrophobicContact CZ-CB 4.24Å; F332-F348 AromaticContact CZ-CD1 3.72Å; F332-F348 HydrophobicContact CZ-CD1 3.72Å; F332-F348 AromaticContact CZ-CD2 3.88Å; F332-F348 HydrophobicContact CZ-CD2 3.88Å; F332-F348 AromaticContact CZ-CE1 3.94Å; F332-F348 HydrophobicContact CZ-CE1 3.94Å; F332-F348 HydrophobicContact CZ-CE2 4.09Å; F332-F348 AromaticContact CZ-CG 3.69Å; F332-F348 HydrophobicContact CZ-CG 3.69Å; F332-F348 HydrophobicContact CZ-CZ 4.11Å; V336-F348 HydrophobicContact CG1-CD2 3.97Å; V336-F348 HydrophobicContact CG1-CE2 4.18Å; V336-F348 HydrophobicContact CG2-CD2 3.78Å; V336-F348 HydrophobicContact CG2-CE2 3.84Å; M344-F348 HydrophobicContact CG-CD2 4.02Å; M344-F348 HydrophobicContact CG-CE2 3.83Å; M344-F348 VanDerWaalsContact O-CD2 3.26Å; M344-F348 WeakPolarHBondContact O-CD2 3.42Å; M344-F348 PolarHBondContact O-N 2.89Å; M344-F348 HydrophobicContact SD-CE2 4.23Å; A345-F348 PolarHBondContact O-N 3.01Å; F348-E350 VanDerWaalsContact C-N 3.28Å; F348-E350 PolarHBondContact O-N 3.23Å; F348-V351 PolarHBondContact O-N 2.93Å; F348-V351 VanDerWaalsContact O-N 3.13Å; F348-F352 HydrophobicContact CD1-CE1 4.33Å; F348-F352 HydrophobicContact CD1-CZ 4.32Å; F348-F352 WeakPolarHBondContact O-CB 3.38Å; F348-F352 VanDerWaalsContact O-CG 3.24Å; F348-F352 WeakPolarHBondContact O-CG 3.36Å; F348-F352 PolarHBondContact O-N 3.33Å
349	T	94.1	Very high	92.8	Very high	24 Å²	24	17.8 Å²	17.8	15%	0.147	9%	0.094	C	C	.	.	H	α-helix	trans	-58.2	-41	176.5	-56.2	0	0	0	0	111.5	E324 A345 E346 M347 F352 N353	E324-T349 HydrophobicContact CB-CG2 4.23Å; A345-T349 PolarHBondContact O-N 2.87Å; A345-T349 PolarHBondContact O-OG1 2.83Å; E346-T349 WeakPolarHBondContact O-CB 3.49Å; E346-T349 PolarHBondContact O-N 2.92Å; M347-T349 VanDerWaalsContact C-N 3.29Å; M347-T349 PolarHBondContact O-N 3.47Å; T349-F352 PolarHBondContact O-N 2.95Å; T349-N353 PolarHBondContact O-N 2.99Å; T349-N353 PolarHBondContact O-ND2 3.12Å
350	E	92.3	Very high	93.3	Very high	52 Å²	52	17.3 Å²	17.3	24%	0.243	9%	0.092	C	C	.	.	H	α-helix	trans	-68.1	-38.7	174	-78.8	-68.1	109.3	0	0	113.6	P163 F164 Y234 E346 M347 F348 N353 A354	P163-E350 HydrophobicContact CG-CG 4.25Å; F164-E350 HydrophobicContact CD2-CB 4.2Å; F164-E350 HydrophobicContact CE2-CB 3.58Å; F164-E350 HydrophobicContact CE2-CG 4.38Å; F164-E350 HydrophobicContact CZ-CB 4.47Å; Y234-E350 HydrophobicContact CD2-CB 4.45Å; Y234-E350 HydrophobicContact CE2-CB 3.93Å; Y234-E350 WeakPolarHBondContact CE2-O 3.49Å; Y234-E350 PolarHBondContact OH-OE2 2.83Å; E346-E350 PolarHBondContact O-N 2.9Å; E346-E350 VanDerWaalsContact O-N 3.13Å; M347-E350 PolarHBondContact O-N 3.48Å; F348-E350 VanDerWaalsContact C-N 3.28Å; F348-E350 PolarHBondContact O-N 3.23Å; E350-N353 PolarHBondContact O-N 3.4Å; E350-A354 PolarHBondContact O-N 3.35Å
351	V	95.2	Very high	93.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-45.6	173	178	0	0	0	0	110.7	F164 L230 I233 F304 M347 F348 N353 A354 L355	F164-V351 HydrophobicContact CZ-CG2 4.01Å; L230-V351 HydrophobicContact CD2-CG2 4.4Å; I233-V351 HydrophobicContact CG1-CG1 4.37Å; I233-V351 HydrophobicContact CG2-CG1 3.74Å; I233-V351 HydrophobicContact CG2-CG2 3.88Å; F304-V351 HydrophobicContact CE1-CG1 4.14Å; F304-V351 HydrophobicContact CE2-CB 4.36Å; F304-V351 HydrophobicContact CE2-CG1 3.7Å; F304-V351 HydrophobicContact CZ-CB 4.3Å; F304-V351 HydrophobicContact CZ-CG1 3.39Å; M347-V351 WeakPolarHBondContact O-CG2 3.27Å; M347-V351 PolarHBondContact O-N 3.01Å; F348-V351 PolarHBondContact O-N 2.93Å; F348-V351 VanDerWaalsContact O-N 3.13Å; V351-N353 VanDerWaalsContact C-N 3.31Å; V351-N353 PolarHBondContact O-N 3.19Å; V351-A354 WeakPolarHBondContact O-CA 3.19Å; V351-A354 WeakPolarHBondContact O-CB 3.39Å; V351-A354 PolarHBondContact O-N 3.22Å; V351-L355 PolarHBondContact O-N 3.02Å
352	F	97.9	Very high	94.3	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.2	-37.1	178.6	-70.5	-8.5	0	0	0	112.3	V290 V300 F304 R318 E322 N327 F332 F348 T349 A354 L355	V290-F352 HydrophobicContact CG1-CZ 3.95Å; V290-F352 HydrophobicContact CG2-CE2 4.03Å; V290-F352 HydrophobicContact CG2-CZ 4Å; V300-F352 HydrophobicContact CG2-CE1 4.05Å; V300-F352 HydrophobicContact CG2-CZ 4.36Å; F304-F352 HydrophobicContact CZ-CD1 4.33Å; F304-F352 AromaticContact CZ-CE1 3.94Å; F304-F352 HydrophobicContact CZ-CE1 3.94Å; R318-F352 WeakPolarHBondContact CD-O 3.15Å; R318-F352 VanDerWaalsContact CZ-O 3.28Å; R318-F352 PolarHBondContact NE-O 3.04Å; E322-F352 HydrophobicContact CB-CB 3.89Å; E322-F352 HydrophobicContact CB-CD1 4.09Å; E322-F352 HydrophobicContact CB-CD2 3.9Å; E322-F352 HydrophobicContact CB-CE2 4.42Å; E322-F352 HydrophobicContact CB-CG 3.71Å; E322-F352 HydrophobicContact CG-CB 4.44Å; E322-F352 HydrophobicContact CG-CD1 3.66Å; E322-F352 HydrophobicContact CG-CD2 4.01Å; E322-F352 HydrophobicContact CG-CE1 3.77Å; E322-F352 HydrophobicContact CG-CE2 4.1Å; E322-F352 HydrophobicContact CG-CG 3.79Å; E322-F352 HydrophobicContact CG-CZ 3.99Å; N327-F352 WeakPolarHBondContact OD1-CE2 3.16Å; F332-F352 AromaticContact CD1-CE2 3.75Å; F332-F352 HydrophobicContact CD1-CE2 3.75Å; F332-F352 HydrophobicContact CD1-CZ 4.11Å; F332-F352 AromaticContact CE1-CE2 3.41Å; F332-F352 HydrophobicContact CE1-CE2 3.41Å; F332-F352 VanDerWaalsContact CE1-CE2 3.41Å; F332-F352 AromaticContact CE1-CZ 3.44Å; F332-F352 HydrophobicContact CE1-CZ 3.44Å; F332-F352 VanDerWaalsContact CE1-CZ 3.44Å; F332-F352 HydrophobicContact CZ-CE2 4.38Å; F332-F352 AromaticContact CZ-CZ 3.98Å; F332-F352 HydrophobicContact CZ-CZ 3.98Å; F348-F352 HydrophobicContact CD1-CE1 4.33Å; F348-F352 HydrophobicContact CD1-CZ 4.32Å; F348-F352 WeakPolarHBondContact O-CB 3.38Å; F348-F352 VanDerWaalsContact O-CG 3.24Å; F348-F352 WeakPolarHBondContact O-CG 3.36Å; F348-F352 PolarHBondContact O-N 3.33Å; T349-F352 PolarHBondContact O-N 2.95Å; F352-A354 PolarHBondContact O-N 3.42Å; F352-L355 HydrophobicContact CD1-CD1 3.97Å; F352-L355 PolarHBondContact O-N 3.31Å
353	N	97	Very high	94.9	Very high	12 Å²	12	20.2 Å²	20.2	6%	0.064	10%	0.097	C	C	.	.	H	α-helix	trans	-62.6	-25.6	170.3	-70.5	-19.8	0	0	0	113.3	R318 T349 E350 V351 R388 F389 K390 Q391	R318-N353 PolarHBondContact NH2-OD1 3.14Å; T349-N353 PolarHBondContact O-N 2.99Å; T349-N353 PolarHBondContact O-ND2 3.12Å; E350-N353 PolarHBondContact O-N 3.4Å; V351-N353 VanDerWaalsContact C-N 3.31Å; V351-N353 PolarHBondContact O-N 3.19Å; N353-R388 CarbonylContact O-C 3.54Å; N353-F389 WeakPolarHBondContact O-CA 3.42Å; N353-K390 PolarHBondContact OD1-O 3.3Å; N353-Q391 PolarHBondContact OD1-NE2 3.18Å
354	A	97	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-88.3	-17.9	-179.7	0	0	0	0	0	114.7	Y234 M237 R238 E350 V351 F352 R388 F389	Y234-A354 HydrophobicContact CD2-CB 4.02Å; Y234-A354 HydrophobicContact CE2-CB 4.28Å; M237-A354 HydrophobicContact CB-CB 3.65Å; R238-A354 HydrophobicContact CG-CB 4.03Å; E350-A354 PolarHBondContact O-N 3.35Å; V351-A354 WeakPolarHBondContact O-CA 3.19Å; V351-A354 WeakPolarHBondContact O-CB 3.39Å; V351-A354 PolarHBondContact O-N 3.22Å; F352-A354 PolarHBondContact O-N 3.42Å; A354-R388 PolarHBondContact O-NE 2.83Å; A354-R388 PolarHBondContact O-NH2 2.93Å; A354-F389 HydrophobicContact CB-CD1 4.13Å; A354-F389 HydrophobicContact CB-CE1 3.89Å
355	L	98.6	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-57.9	137.8	-178	-72.6	173.6	0	0	0	112.3	M237 F289 L316 R318 E322 V351 F352 R388	M237-L355 HydrophobicContact CG-CD2 4.08Å; M237-L355 HydrophobicContact SD-CD2 3.99Å; F289-L355 HydrophobicContact CE2-CD1 4.26Å; L316-L355 HydrophobicContact CB-CD2 4.01Å; R318-L355 HydrophobicContact CB-CB 3.79Å; R318-L355 HydrophobicContact CB-CD1 4.41Å; R318-L355 HydrophobicContact CG-CB 4.21Å; R318-L355 HydrophobicContact CG-CD1 4.39Å; E322-L355 HydrophobicContact CB-CD1 4.19Å; E322-L355 HydrophobicContact CG-CD1 3.81Å; V351-L355 PolarHBondContact O-N 3.02Å; F352-L355 HydrophobicContact CD1-CD1 3.97Å; F352-L355 PolarHBondContact O-N 3.31Å; L355-R388 VanDerWaalsContact O-CD 3.26Å; L355-R388 WeakPolarHBondContact O-CD 3.13Å; L355-R388 PolarHBondContact O-NE 2.75Å
356	P	98.7	Very high	96.7	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.019	10%	0.102	C	C	.	.			trans	-54	148.5	170.3	-26.3	34.8	0	0	0	113.1	E240 V244 S317 R318	E240-P356 HydrophobicContact CB-CG 4.1Å; V244-P356 HydrophobicContact CG2-CB 3.98Å; V244-P356 HydrophobicContact CG2-CG 3.75Å; S317-P356 CarbonylContact C-O 3.43Å; R318-P356 WeakPolarHBondContact CB-O 3.18Å; R318-P356 PolarHBondContact N-O 2.9Å
357	L	98.8	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-92	-22.5	179.7	-61.4	-178.9	0	0	0	113	T242 R318 I386 R388 M398	T242-L357 HydrophobicContact CG2-CB 4.11Å; T242-L357 HydrophobicContact CG2-CD1 3.86Å; T242-L357 HydrophobicContact CG2-CG 4Å; T242-L357 PolarHBondContact O-N 3.21Å; R318-L357 HydrophobicContact CB-CD2 4.11Å; L357-I386 HydrophobicContact CD1-CB 4.1Å; L357-I386 HydrophobicContact CD1-CD1 3.92Å; L357-I386 HydrophobicContact CD1-CG2 3.65Å; L357-R388 HydrophobicContact CD1-CB 3.85Å; L357-R388 HydrophobicContact CD2-CB 4.24Å; L357-R388 HydrophobicContact CG-CB 3.89Å; L357-M398 HydrophobicContact CD1-CB 4.47Å; L357-M398 HydrophobicContact CD1-CG 3.91Å; L357-M398 HydrophobicContact CD2-CE 4.25Å; L357-M398 HydrophobicContact CD2-CG 4.47Å
358	A	98.8	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	165.1	179.8	0	0	0	0	0	112.1	T242 M243 V244 L366 V367 M368 I383	T242-A358 PolarHBondContact O-N 3.06Å; M243-A358 CarbonylContact C-O 3.5Å; M243-A358 VanDerWaalsContact CA-O 3.29Å; M243-A358 WeakPolarHBondContact CA-O 3.18Å; M243-A358 HydrophobicContact CB-CB 4.23Å; M243-A358 HydrophobicContact CG-CB 3.96Å; V244-A358 PolarHBondContact N-O 2.75Å; A358-L366 HydrophobicContact CB-CD1 4Å; A358-V367 CarbonylContact C-O 3.49Å; A358-V367 WeakPolarHBondContact CA-O 3.38Å; A358-V367 WeakPolarHBondContact CB-O 3.31Å; A358-M368 HydrophobicContact CB-CB 4.49Å; A358-I383 HydrophobicContact CB-CG2 4.2Å
359	H	98.9	Very high	97.8	Very high	2 Å²	2	18 Å²	18	1%	0.009	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	135.9	171.8	-66.9	80.4	0	0	0	110	V244 I246 L284 F315 L316 S317 V367	V244-H359 CarbonylContact O-C 3.43Å; V244-H359 VanDerWaalsContact O-CA 3.29Å; V244-H359 WeakPolarHBondContact O-CA 3.49Å; I246-H359 HydrophobicContact CD1-CB 4.02Å; L284-H359 WeakPolarHBondContact CD1-ND1 3.42Å; L284-H359 HydrophobicContact CD2-CB 3.79Å; F315-H359 AromaticContact CD1-CD2 3.9Å; F315-H359 AromaticContact CD1-NE2 3.97Å; L316-H359 PolarHBondContact O-CE1 2.88Å; S317-H359 PolarHBondContact OG-CE1 3.47Å; S317-H359 PolarHBondContact OG-ND1 3.29Å; H359-V367 HydrophobicContact CB-CB 4.4Å; H359-V367 PolarHBondContact N-O 2.94Å; H359-V367 PolarHBondContact O-N 3.34Å
360	L	98.8	Very high	98	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.063	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	103.5	-179.1	-179.2	67.6	0	0	0	109.7	M243 V244 S245 I246 K363 L380 L437	M243-L360 HydrophobicContact CE-CB 4.32Å; M243-L360 HydrophobicContact CE-CD2 3.94Å; M243-L360 HydrophobicContact CG-CB 4.08Å; M243-L360 HydrophobicContact SD-CB 3.93Å; M243-L360 HydrophobicContact SD-CD2 4.35Å; V244-L360 PolarHBondContact O-N 2.89Å; S245-L360 WeakPolarHBondContact CA-O 3.45Å; I246-L360 PolarHBondContact N-O 3.47Å; L360-K363 HydrophobicContact CD2-CB 4.44Å; L360-K363 HydrophobicContact CD2-CG 4.3Å; L360-L380 HydrophobicContact CD1-CD1 4.03Å; L360-L380 HydrophobicContact CD2-CD1 4Å; L360-L437 HydrophobicContact CD1-CD2 3.73Å
361	I	98.8	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.7	-175.9	-53.3	175.3	0	0	0	110	I246 V248 F254 I256 K363 R364 I365 V367 I481	I246-I361 HydrophobicContact CB-CG1 4.23Å; I246-I361 HydrophobicContact CD1-CG1 4.36Å; I246-I361 CarbonylContact O-C 3.55Å; I246-I361 WeakPolarHBondContact O-CA 3.27Å; V248-I361 HydrophobicContact CG2-CG2 3.68Å; F254-I361 HydrophobicContact CD1-CD1 4.15Å; F254-I361 HydrophobicContact CE1-CD1 3.99Å; I256-I361 HydrophobicContact CD1-CD1 4.26Å; I256-I361 HydrophobicContact CG1-CD1 4.19Å; I361-K363 PolarHBondContact O-N 2.95Å; I361-R364 PolarHBondContact O-N 3.24Å; I361-I365 HydrophobicContact CB-CB 4.29Å; I361-I365 PolarHBondContact N-O 3.33Å; I361-I365 PolarHBondContact O-N 3.15Å; I361-V367 HydrophobicContact CD1-CG2 3.82Å; I361-V367 HydrophobicContact CG1-CG2 4.26Å; I361-I481 HydrophobicContact CD1-CD1 4.01Å; I361-I481 HydrophobicContact CG2-CD1 3.85Å
362	N	98.4	Very high	98.4	Very high	32 Å²	32	14.4 Å²	14.4	17%	0.171	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	21.6	-179.5	-66.9	41	0	0	0	114	I246 V248 R364 L486	I246-N362 PolarHBondContact O-N 2.88Å; V248-N362 WeakPolarHBondContact CB-OD1 3.2Å; V248-N362 PolarHBondContact N-OD1 3.45Å; V248-N362 PolarHBondContact O-ND2 2.89Å; N362-R364 WeakPolarHBondContact O-CG 3.42Å; N362-R364 PolarHBondContact O-N 2.78Å; N362-L486 HydrophobicContact CB-CD1 3.81Å; N362-L486 HydrophobicContact CB-CD2 4.31Å
363	K	98.3	Very high	98.4	Very high	130 Å²	130	14.4 Å²	14.4	57%	0.565	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	28.7	-172.2	-50.3	174.5	-170.7	177.2	0	113.7	L360 I361	L360-K363 HydrophobicContact CD2-CB 4.44Å; L360-K363 HydrophobicContact CD2-CG 4.3Å; I361-K363 PolarHBondContact O-N 2.95Å
364	R	98.5	Very high	98.3	Very high	111 Å²	111	15.7 Å²	15.7	42%	0.419	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-28.8	-171.9	-68.8	-70.3	-73.5	-103.2	1.3	113.8	I361 N362 L437 D438 L486	I361-R364 PolarHBondContact O-N 3.24Å; N362-R364 WeakPolarHBondContact O-CG 3.42Å; N362-R364 PolarHBondContact O-N 2.78Å; R364-L437 CarbonylContact O-C 3.55Å; R364-L437 WeakPolarHBondContact O-CA 3.16Å; R364-D438 IonicContact CZ-OD1 2.56Å; R364-D438 IonicContact CZ-OD2 2.74Å; R364-D438 VanDerWaalsContact CZ-OD2 3.23Å; R364-D438 IonicContact NE-OD1 2.9Å; R364-D438 PolarHBondContact NE-OD1 2.9Å; R364-D438 VanDerWaalsContact NE-OD1 3.15Å; R364-D438 IonicContact NE-OD2 3.35Å; R364-D438 PolarHBondContact NE-OD2 3.37Å; R364-D438 IonicContact NH2-OD1 2.76Å; R364-D438 PolarHBondContact NH2-OD1 3.23Å; R364-D438 IonicContact NH2-OD2 3.11Å; R364-D438 PolarHBondContact NH2-OD2 2.91Å; R364-D438 PolarHBondContact O-N 3.36Å; R364-L486 HydrophobicContact CB-CD1 3.77Å; R364-L486 HydrophobicContact CG-CD1 4.13Å
365	I	98.8	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.5	175.5	-52.9	159.4	0	0	0	108.6	I361 V367 Y439 I441 I481 L486	I361-I365 HydrophobicContact CB-CB 4.29Å; I361-I365 PolarHBondContact N-O 3.33Å; I361-I365 PolarHBondContact O-N 3.15Å; I365-V367 HydrophobicContact CG2-CG2 4.19Å; I365-Y439 WeakPolarHBondContact CA-O 3.44Å; I365-Y439 HydrophobicContact CD1-CE1 3.88Å; I365-Y439 HydrophobicContact CD1-CE2 4.28Å; I365-Y439 VanDerWaalsContact CD1-OH 3.24Å; I365-Y439 WeakPolarHBondContact CD1-OH 3.47Å; I365-Y439 HydrophobicContact CG1-CD1 4.24Å; I365-Y439 HydrophobicContact CG1-CE1 3.72Å; I365-Y439 HydrophobicContact CG1-CE2 4.19Å; I365-Y439 HydrophobicContact CG2-CD2 4.13Å; I365-Y439 HydrophobicContact CG2-CE2 3.84Å; I365-I441 HydrophobicContact CG2-CD1 3.78Å; I365-I441 HydrophobicContact CG2-CG1 3.79Å; I365-I481 HydrophobicContact CD1-CD1 4.01Å; I365-L486 HydrophobicContact CD1-CB 4.08Å; I365-L486 HydrophobicContact CD1-CD2 4.43Å
366	L	98.9	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	168.6	-178.1	64.5	0	0	0	109.4	M243 A358 M368 L380 I383 F431 L437 I440 I441	M243-L366 HydrophobicContact CG-CD1 4.32Å; M243-L366 HydrophobicContact SD-CD1 3.77Å; A358-L366 HydrophobicContact CB-CD1 4Å; L366-M368 HydrophobicContact CD2-CE 3.47Å; L366-M368 VanDerWaalsContact CD2-CE 3.47Å; L366-M368 HydrophobicContact CG-CE 3.91Å; L366-L380 HydrophobicContact CD1-CD2 4.07Å; L366-L380 HydrophobicContact CD2-CD2 3.82Å; L366-L380 HydrophobicContact CG-CD2 4.43Å; L366-I383 HydrophobicContact CD2-CD1 3.94Å; L366-F431 HydrophobicContact CD2-CE1 3.68Å; L366-F431 HydrophobicContact CD2-CZ 3.81Å; L366-L437 HydrophobicContact CB-CD1 3.64Å; L366-L437 HydrophobicContact CB-CD2 4.36Å; L366-L437 HydrophobicContact CD2-CD1 4.33Å; L366-I440 HydrophobicContact CB-CG2 4.3Å; L366-I440 CarbonylContact O-C 3.54Å; L366-I440 VanDerWaalsContact O-CA 3.32Å; L366-I440 WeakPolarHBondContact O-CA 3.45Å; L366-I441 PolarHBondContact O-N 2.93Å
367	V	98.9	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.6	176.1	-166.3	0	0	0	0	109	I256 L284 N286 A358 H359 I361 I365 I441	I256-V367 HydrophobicContact CG2-CG1 4.25Å; L284-V367 HydrophobicContact CD2-CB 3.86Å; L284-V367 HydrophobicContact CD2-CG1 3.68Å; L284-V367 HydrophobicContact CD2-CG2 4.04Å; N286-V367 HydrophobicContact CB-CG1 4.22Å; A358-V367 CarbonylContact C-O 3.49Å; A358-V367 WeakPolarHBondContact CA-O 3.38Å; A358-V367 WeakPolarHBondContact CB-O 3.31Å; H359-V367 HydrophobicContact CB-CB 4.4Å; H359-V367 PolarHBondContact N-O 2.94Å; H359-V367 PolarHBondContact O-N 3.34Å; I361-V367 HydrophobicContact CD1-CG2 3.82Å; I361-V367 HydrophobicContact CG1-CG2 4.26Å; I365-V367 HydrophobicContact CG2-CG2 4.19Å; V367-I441 WeakPolarHBondContact CA-O 3.35Å; V367-I441 HydrophobicContact CB-CB 4.47Å; V367-I441 HydrophobicContact CG1-CB 4.04Å; V367-I441 HydrophobicContact CG1-CG2 4.15Å; V367-I441 HydrophobicContact CG2-CB 4.12Å; V367-I441 HydrophobicContact CG2-CD1 4.28Å
368	M	98.7	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.4	171.8	72.3	-76.2	-84.2	0	0	109	N286 A358 L366 L372 L401 I441 R442	N286-M368 PolarHBondContact ND2-O 3.42Å; A358-M368 HydrophobicContact CB-CB 4.49Å; L366-M368 HydrophobicContact CD2-CE 3.47Å; L366-M368 VanDerWaalsContact CD2-CE 3.47Å; L366-M368 HydrophobicContact CG-CE 3.91Å; M368-L372 HydrophobicContact CE-CD2 3.94Å; M368-L401 HydrophobicContact CB-CD2 4.04Å; M368-L401 HydrophobicContact CE-CD2 4.01Å; M368-L401 HydrophobicContact CG-CD2 4.1Å; M368-I441 PolarHBondContact N-O 3.31Å; M368-R442 VanDerWaalsContact O-CA 3.28Å; M368-R442 WeakPolarHBondContact O-CA 3.4Å
369	H	98.8	Very high	97.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-71.9	-54.1	-177.9	174.7	79.1	0	0	0	113	D259 N286 D288 R318 G319 N320 L402 S443 H444	D259-H369 IonicContact OD1-CE1 3.39Å; D259-H369 PolarHBondContact OD1-CE1 2.96Å; D259-H369 IonicContact OD1-ND1 3.13Å; D259-H369 PolarHBondContact OD1-ND1 2.71Å; D259-H369 IonicContact OD2-CE1 2.96Å; N286-H369 PolarHBondContact O-ND1 2.8Å; D288-H369 IonicContact OD1-CE1 3.64Å; D288-H369 PolarHBondContact OD1-CE1 2.84Å; D288-H369 IonicContact OD1-NE2 3.23Å; D288-H369 PolarHBondContact OD1-NE2 2.99Å; D288-H369 IonicContact OD2-CE1 3.33Å; D288-H369 PolarHBondContact OD2-CE1 3.22Å; D288-H369 IonicContact OD2-NE2 2.72Å; D288-H369 PolarHBondContact OD2-NE2 3.47Å; R318-H369 WeakPolarHBondContact O-CB 3.41Å; G319-H369 VanDerWaalsContact CA-CD2 3.5Å; G319-H369 WeakPolarHBondContact CA-CD2 3.37Å; N320-H369 PolarHBondContact OD1-NE2 2.84Å; H369-L402 HydrophobicContact CB-CD2 4.37Å; H369-L402 PolarHBondContact CD2-O 3.35Å; H369-S443 CarbonylContact O-C 3.55Å; H369-S443 PolarHBondContact O-N 2.89Å; H369-H444 AromaticContact CD2-ND1 3.78Å; H369-H444 WeakPolarHBondContact NE2-CB 3.46Å; H369-H444 AromaticContact NE2-CG 3.55Å; H369-H444 AromaticContact NE2-ND1 3.09Å; H369-H444 PolarHBondContact NE2-ND1 2.86Å
370	G	98.3	Very high	97.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-80	-95.2	180	0	0	0	0	0	112.3	L401 S404 R442	G370-L401 WeakPolarHBondContact CA-O 3.5Å; G370-L401 PolarHBondContact N-O 3.01Å; G370-S404 CarbonylContact C-O 3.57Å; G370-R442 WeakPolarHBondContact O-CB 3.01Å; G370-R442 VanDerWaalsContact O-CD 3.24Å; G370-R442 WeakPolarHBondContact O-CD 3.43Å; G370-R442 PolarHBondContact O-NE 2.88Å; G370-R442 PolarHBondContact O-NH1 3.18Å
371	G	97.3	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.			trans	-171.4	-151.2	-177.2	0	0	0	0	0	114.7	D400 S404	G371-D400 PolarHBondContact N-O 2.98Å; G371-S404 WeakPolarHBondContact CA-O 3.33Å; G371-S404 PolarHBondContact N-O 3.45Å
372	L	98.2	Very high	97.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.			trans	-74.3	152	-174.6	-66	-176	0	0	0	112.6	M368 S404 F423 V427 T428 F431 I440	M368-L372 HydrophobicContact CE-CD2 3.94Å; L372-S404 WeakPolarHBondContact O-CB 3.3Å; L372-S404 PolarHBondContact O-OG 3.47Å; L372-F423 HydrophobicContact CB-CB 4.48Å; L372-F423 HydrophobicContact CB-CD1 3.96Å; L372-F423 HydrophobicContact CB-CD2 4.03Å; L372-F423 HydrophobicContact CB-CE1 4.19Å; L372-F423 HydrophobicContact CB-CE2 4.23Å; L372-F423 HydrophobicContact CB-CG 3.89Å; L372-F423 HydrophobicContact CB-CZ 4.31Å; L372-F423 HydrophobicContact CD1-CD2 3.68Å; L372-F423 HydrophobicContact CD1-CE2 3.86Å; L372-F423 HydrophobicContact CD1-CG 4.32Å; L372-F423 HydrophobicContact CG-CD2 3.94Å; L372-F423 HydrophobicContact CG-CE1 4.5Å; L372-F423 HydrophobicContact CG-CE2 3.82Å; L372-F423 HydrophobicContact CG-CG 4.33Å; L372-F423 HydrophobicContact CG-CZ 4.12Å; L372-F423 VanDerWaalsContact N-CE1 3.31Å; L372-V427 HydrophobicContact CD1-CG1 4.26Å; L372-T428 HydrophobicContact CD1-CG2 4.5Å; L372-F431 HydrophobicContact CD1-CB 3.94Å; L372-F431 HydrophobicContact CD1-CD1 4.45Å; L372-F431 HydrophobicContact CD1-CG 4.21Å; L372-F431 HydrophobicContact CD2-CB 4.35Å; L372-F431 HydrophobicContact CD2-CD1 3.46Å; L372-F431 VanDerWaalsContact CD2-CD1 3.46Å; L372-F431 HydrophobicContact CD2-CD2 4.17Å; L372-F431 HydrophobicContact CD2-CE1 3.72Å; L372-F431 HydrophobicContact CD2-CE2 4.38Å; L372-F431 HydrophobicContact CD2-CG 3.71Å; L372-F431 HydrophobicContact CD2-CZ 4.17Å; L372-I440 HydrophobicContact CD1-CD1 4.08Å; L372-I440 HydrophobicContact CD2-CD1 3.7Å; L372-I440 HydrophobicContact CD2-CG2 4.33Å; L372-I440 HydrophobicContact CG-CD1 3.68Å
373	P	97.2	Very high	97.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.			trans	-56.6	148.6	175.9	-23.3	35.4	0	0	0	111.5	T375 V378 L397 R412 F431	P373-T375 PolarHBondContact O-N 3.39Å; P373-V378 HydrophobicContact CB-CB 4.2Å; P373-V378 HydrophobicContact CB-CG1 4.38Å; P373-V378 HydrophobicContact CB-CG2 3.78Å; P373-V378 HydrophobicContact CG-CB 3.91Å; P373-V378 HydrophobicContact CG-CG1 3.82Å; P373-V378 HydrophobicContact CG-CG2 4.06Å; P373-L397 HydrophobicContact CB-CD1 3.56Å; P373-L397 HydrophobicContact CG-CD1 3.37Å; P373-R412 PolarHBondContact O-NH1 3.06Å; P373-R412 PolarHBondContact O-NH2 3.23Å; P373-F431 HydrophobicContact CG-CE2 4.31Å
374	A	96.1	Very high	97.9	Very high	40 Å²	40	38 Å²	38	33%	0.331	20%	0.199	S	C	.	.	S	Bend	trans	-69.6	-19.5	178	0	0	0	0	0	113.6	D400 R412	A374-D400 WeakPolarHBondContact CB-OD2 3.01Å; A374-D400 VanDerWaalsContact N-CG 3.34Å; A374-D400 PolarHBondContact N-OD2 3.4Å; A374-R412 WeakPolarHBondContact O-CD 3.35Å; A374-R412 PolarHBondContact O-NE 2.87Å
375	T	95.1	Very high	97.9	Very high	93 Å²	93	39.6 Å²	39.6	57%	0.571	21%	0.208	S	C	*	.	S	Bend	trans	-102.2	153.4	176	55.4	0	0	0	0	111.6	P373 V378 R412	P373-T375 PolarHBondContact O-N 3.39Å; T375-V378 WeakPolarHBondContact OG1-CG2 3.47Å; T375-R412 PolarHBondContact O-NH2 3.16Å
376	D	95.1	Very high	97.8	Very high	99 Å²	99	40.6 Å²	40.6	53%	0.529	21%	0.214	S	C	.	.	S	Bend	trans	-83	177.3	174	-57.2	-35.1	0	0	0	111.4	V378 R412	D376-V378 PolarHBondContact O-N 2.89Å; D376-R412 IonicContact OD1-CZ 2.71Å; D376-R412 IonicContact OD1-NE 2.71Å; D376-R412 PolarHBondContact OD1-NE 3.02Å; D376-R412 IonicContact OD1-NH2 3.69Å; D376-R412 PolarHBondContact OD1-NH2 3.09Å
377	D	96.3	Very high	97.7	Very high	137 Å²	137	44.6 Å²	44.6	73%	0.733	24%	0.235	S	C	*	.	S	Bend	trans	57.7	12.9	178.6	-56.7	-39.2	0	0	0	116.8	L379	D377-L379 PolarHBondContact O-N 3.04Å
378	V	98.1	Very high	97.7	Very high	15 Å²	15	44.9 Å²	44.9	9%	0.091	24%	0.236	C	C	.	.			trans	-71	128	176.3	-179.1	0	0	0	0	111.1	P373 T375 D376 D382 L397 F431 N435	P373-V378 HydrophobicContact CB-CB 4.2Å; P373-V378 HydrophobicContact CB-CG1 4.38Å; P373-V378 HydrophobicContact CB-CG2 3.78Å; P373-V378 HydrophobicContact CG-CB 3.91Å; P373-V378 HydrophobicContact CG-CG1 3.82Å; P373-V378 HydrophobicContact CG-CG2 4.06Å; T375-V378 WeakPolarHBondContact OG1-CG2 3.47Å; D376-V378 PolarHBondContact O-N 2.89Å; V378-D382 HydrophobicContact CG1-CB 4.1Å; V378-L397 HydrophobicContact CG1-CD1 3.92Å; V378-L397 HydrophobicContact CG1-CD2 4.19Å; V378-F431 WeakPolarHBondContact O-CE2 3.32Å; V378-N435 PolarHBondContact O-ND2 2.93Å; V378-N435 VanDerWaalsContact O-ND2 3.12Å
379	L	98.5	Very high	97.5	Very high	62 Å²	62	49.2 Å²	49.2	33%	0.325	26%	0.255	S	S	.	.			trans	-96.9	160.1	178.9	-57.1	177	0	0	0	112.7	D377 E381 D382 I383 L434 N435	D377-L379 PolarHBondContact O-N 3.04Å; L379-E381 WeakPolarHBondContact CB-OE2 3.39Å; L379-E381 PolarHBondContact O-N 3.4Å; L379-D382 PolarHBondContact N-OD2 3.17Å; L379-D382 VanDerWaalsContact N-OD2 3.1Å; L379-D382 WeakPolarHBondContact O-CB 3.22Å; L379-D382 PolarHBondContact O-N 2.99Å; L379-I383 PolarHBondContact O-N 2.83Å; L379-L434 HydrophobicContact CD2-CD1 3.95Å; L379-L434 HydrophobicContact CD2-CD2 3.81Å; L379-L434 HydrophobicContact CD2-CG 3.69Å; L379-N435 VanDerWaalsContact CA-OD1 3.3Å; L379-N435 WeakPolarHBondContact CA-OD1 3.37Å
380	L	98.6	Very high	97.3	Very high	18 Å²	18	53.2 Å²	53.2	9%	0.094	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-34.3	170.8	-64.8	-179.9	0	0	0	112.2	M243 L360 L366 D382 I383 Q384 N435 L437	M243-L380 HydrophobicContact CE-CB 4.01Å; M243-L380 HydrophobicContact SD-CB 4.27Å; M243-L380 HydrophobicContact SD-CD2 3.97Å; L360-L380 HydrophobicContact CD1-CD1 4.03Å; L360-L380 HydrophobicContact CD2-CD1 4Å; L366-L380 HydrophobicContact CD1-CD2 4.07Å; L366-L380 HydrophobicContact CD2-CD2 3.82Å; L366-L380 HydrophobicContact CG-CD2 4.43Å; L380-D382 PolarHBondContact O-N 3.48Å; L380-I383 HydrophobicContact CD2-CD1 4.41Å; L380-I383 PolarHBondContact O-N 2.84Å; L380-Q384 PolarHBondContact O-N 2.8Å; L380-N435 HydrophobicContact CD1-CB 4.24Å; L380-N435 HydrophobicContact CD2-CB 4.34Å; L380-N435 HydrophobicContact CG-CB 3.92Å; L380-N435 PolarHBondContact N-OD1 3.25Å; L380-L437 HydrophobicContact CD1-CD2 4.4Å
381	E	98.3	Very high	97.1	Very high	109 Å²	109	56 Å²	56	51%	0.509	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-25.8	175.1	-66	75.3	-167	0	0	112.6	L379 K385	L379-E381 WeakPolarHBondContact CB-OE2 3.39Å; L379-E381 PolarHBondContact O-N 3.4Å; E381-K385 VanDerWaalsContact O-CD 3.27Å; E381-K385 WeakPolarHBondContact O-CD 3.21Å; E381-K385 WeakPolarHBondContact O-CE 3.05Å; E381-K385 WeakPolarHBondContact O-CG 3.43Å; E381-K385 PolarHBondContact O-N 2.76Å; E381-K385 PolarHBondContact O-NZ 3.06Å
382	D	98.5	Very high	97	Very high	55 Å²	55	57.1 Å²	57.1	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-78.9	-35.2	177.2	-58.6	-41.6	0	0	0	111.4	V378 L379 L380 Q384 K385 L397	V378-D382 HydrophobicContact CG1-CB 4.1Å; L379-D382 PolarHBondContact N-OD2 3.17Å; L379-D382 VanDerWaalsContact N-OD2 3.1Å; L379-D382 WeakPolarHBondContact O-CB 3.22Å; L379-D382 PolarHBondContact O-N 2.99Å; L380-D382 PolarHBondContact O-N 3.48Å; D382-Q384 VanDerWaalsContact C-N 3.33Å; D382-K385 PolarHBondContact O-N 3.45Å; D382-K385 IonicContact OD1-NZ 3.7Å; D382-K385 PolarHBondContact OD1-NZ 2.9Å; D382-L397 HydrophobicContact CB-CD2 4.34Å
383	I	98.5	Very high	96.7	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-45.1	168.3	-59.1	176.8	0	0	0	110.1	T242 M243 A358 L366 L379 L380 K385 I386 L397 L401 F431	T242-I383 WeakPolarHBondContact CG2-O 3.45Å; M243-I383 HydrophobicContact CB-CG2 4.23Å; A358-I383 HydrophobicContact CB-CG2 4.2Å; L366-I383 HydrophobicContact CD2-CD1 3.94Å; L379-I383 PolarHBondContact O-N 2.83Å; L380-I383 HydrophobicContact CD2-CD1 4.41Å; L380-I383 PolarHBondContact O-N 2.84Å; I383-K385 VanDerWaalsContact C-N 3.27Å; I383-K385 PolarHBondContact O-N 3.01Å; I383-I386 HydrophobicContact CG2-CD1 4.37Å; I383-I386 WeakPolarHBondContact O-CD1 3.47Å; I383-I386 VanDerWaalsContact O-CG1 3.3Å; I383-I386 WeakPolarHBondContact O-CG1 3.4Å; I383-I386 PolarHBondContact O-N 2.89Å; I383-L397 HydrophobicContact CG1-CD2 4.38Å; I383-L401 HydrophobicContact CD1-CD2 4.07Å; I383-L401 HydrophobicContact CG1-CD1 4.24Å; I383-L401 HydrophobicContact CG2-CD1 3.82Å; I383-F431 HydrophobicContact CD1-CZ 4.33Å
384	Q	98.4	Very high	96.3	Very high	59 Å²	59	65.1 Å²	65.1	28%	0.276	34%	0.338	S	S	.	.	H	α-helix	trans	-63.7	-29.6	-179.8	-177.7	63.9	-10.8	0	0	113.5	E241 M243 L380 D382 I386	E241-Q384 PolarHBondContact OE1-NE2 2.79Å; M243-Q384 PolarHBondContact O-OE1 3.42Å; L380-Q384 PolarHBondContact O-N 2.8Å; D382-Q384 VanDerWaalsContact C-N 3.33Å; Q384-I386 VanDerWaalsContact C-N 3.31Å; Q384-I386 PolarHBondContact O-N 3.05Å
385	K	98.3	Very high	96.2	Very high	144 Å²	144	71 Å²	71	63%	0.626	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.2	178	-70.5	160.3	-155.3	142	0	114.1	E381 D382 I383 D387	E381-K385 VanDerWaalsContact O-CD 3.27Å; E381-K385 WeakPolarHBondContact O-CD 3.21Å; E381-K385 WeakPolarHBondContact O-CE 3.05Å; E381-K385 WeakPolarHBondContact O-CG 3.43Å; E381-K385 PolarHBondContact O-N 2.76Å; E381-K385 PolarHBondContact O-NZ 3.06Å; D382-K385 PolarHBondContact O-N 3.45Å; D382-K385 IonicContact OD1-NZ 3.7Å; D382-K385 PolarHBondContact OD1-NZ 2.9Å; I383-K385 VanDerWaalsContact C-N 3.27Å; I383-K385 PolarHBondContact O-N 3.01Å; K385-D387 PolarHBondContact O-N 2.64Å; K385-D387 VanDerWaalsContact O-N 3.15Å
386	I	98.1	Very high	96.2	Very high	21 Å²	21	68.3 Å²	68.3	11%	0.108	35%	0.35	C	S	.	.			trans	-64.9	119.2	-178.1	-56.4	165.7	0	0	0	109.5	T242 L357 I383 Q384 R388 L397 M398 L401	T242-I386 HydrophobicContact CG2-CB 4.11Å; T242-I386 PolarHBondContact OG1-O 2.66Å; L357-I386 HydrophobicContact CD1-CB 4.1Å; L357-I386 HydrophobicContact CD1-CD1 3.92Å; L357-I386 HydrophobicContact CD1-CG2 3.65Å; I383-I386 HydrophobicContact CG2-CD1 4.37Å; I383-I386 WeakPolarHBondContact O-CD1 3.47Å; I383-I386 VanDerWaalsContact O-CG1 3.3Å; I383-I386 WeakPolarHBondContact O-CG1 3.4Å; I383-I386 PolarHBondContact O-N 2.89Å; Q384-I386 VanDerWaalsContact C-N 3.31Å; Q384-I386 PolarHBondContact O-N 3.05Å; I386-R388 PolarHBondContact O-N 3.34Å; I386-R388 VanDerWaalsContact O-N 3.13Å; I386-L397 HydrophobicContact CD1-CB 4.39Å; I386-L397 HydrophobicContact CD1-CD2 3.71Å; I386-L397 HydrophobicContact CD1-CG 3.69Å; I386-L397 HydrophobicContact CG1-CD2 3.91Å; I386-L397 HydrophobicContact CG1-CG 4.32Å; I386-M398 HydrophobicContact CG2-CB 4.03Å; I386-M398 HydrophobicContact CG2-CG 4.37Å; I386-M398 HydrophobicContact CG2-SD 4.37Å; I386-L401 HydrophobicContact CD1-CD1 3.57Å
387	D	97.4	Very high	96.3	Very high	85 Å²	85	65.6 Å²	65.6	46%	0.455	34%	0.335	S	S	.	.			trans	-65.9	106.1	159.6	163	43.6	0	0	0	108.7	K385 F389 K390	K385-D387 PolarHBondContact O-N 2.64Å; K385-D387 VanDerWaalsContact O-N 3.15Å; D387-F389 PolarHBondContact OD1-N 3.35Å; D387-K390 WeakPolarHBondContact O-CE 3.34Å; D387-K390 PolarHBondContact O-NZ 2.84Å; D387-K390 IonicContact OD2-NZ 3.03Å; D387-K390 PolarHBondContact OD2-NZ 2.97Å
388	R	97	Very high	96.4	Very high	6 Å²	6	59.4 Å²	59.4	2%	0.023	30%	0.302	C	S	.	.			trans	-92.6	-10.6	-176	71.1	-170.7	-170.9	-97.3	1.5	114.2	M237 E240 E241 T242 R318 N353 A354 L355 L357 I386 K390	M237-R388 PolarHBondContact O-NH2 2.91Å; E240-R388 PolarHBondContact O-NH1 2.98Å; E240-R388 VanDerWaalsContact O-NH1 3.14Å; E240-R388 PolarHBondContact O-NH2 3.36Å; E241-R388 VanDerWaalsContact C-NH1 3.26Å; E241-R388 PolarHBondContact O-NH1 2.86Å; T242-R388 HydrophobicContact CG2-CB 4.48Å; T242-R388 VanDerWaalsContact N-NH1 3.2Å; T242-R388 PolarHBondContact OG1-NH1 2.81Å; R318-R388 PolarHBondContact NH1-O 2.91Å; N353-R388 CarbonylContact O-C 3.54Å; A354-R388 PolarHBondContact O-NE 2.83Å; A354-R388 PolarHBondContact O-NH2 2.93Å; L355-R388 VanDerWaalsContact O-CD 3.26Å; L355-R388 WeakPolarHBondContact O-CD 3.13Å; L355-R388 PolarHBondContact O-NE 2.75Å; L357-R388 HydrophobicContact CD1-CB 3.85Å; L357-R388 HydrophobicContact CD2-CB 4.24Å; L357-R388 HydrophobicContact CG-CB 3.89Å; I386-R388 PolarHBondContact O-N 3.34Å; I386-R388 VanDerWaalsContact O-N 3.13Å; R388-K390 PolarHBondContact O-N 2.95Å
389	F	96.2	Very high	96.4	Very high	90 Å²	90	58.7 Å²	58.7	40%	0.395	30%	0.298	S	S	.	.	S	Bend	trans	-77.2	48.2	-168.9	-61.4	-72.4	0	0	0	113.7	R238 N353 A354 D387	R238-F389 HydrophobicContact CB-CE1 4.36Å; R238-F389 HydrophobicContact CG-CD1 4.5Å; R238-F389 HydrophobicContact CG-CE1 3.91Å; N353-F389 WeakPolarHBondContact O-CA 3.42Å; A354-F389 HydrophobicContact CB-CD1 4.13Å; A354-F389 HydrophobicContact CB-CE1 3.89Å; D387-F389 PolarHBondContact OD1-N 3.35Å
390	K	94.3	Very high	96.3	Very high	85 Å²	85	56.2 Å²	56.2	37%	0.37	28%	0.284	S	S	.	.	S	Bend	trans	-157.5	170.2	-175.6	54	175	176.4	-95.8	0	110.5	R318 N353 D387 R388 M398	R318-K390 PolarHBondContact NH1-O 3.4Å; N353-K390 PolarHBondContact OD1-O 3.3Å; D387-K390 WeakPolarHBondContact O-CE 3.34Å; D387-K390 PolarHBondContact O-NZ 2.84Å; D387-K390 IonicContact OD2-NZ 3.03Å; D387-K390 PolarHBondContact OD2-NZ 2.97Å; R388-K390 PolarHBondContact O-N 2.95Å; K390-M398 HydrophobicContact CG-SD 4.46Å
391	Q	94.6	Very high	96.3	Very high	57 Å²	57	55.3 Å²	55.3	27%	0.266	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-61.7	147.9	167.5	-64.6	-54	-38.8	0	0	110.6	E324 N353	E324-Q391 HydrophobicContact CB-CG 4.48Å; N353-Q391 PolarHBondContact OD1-NE2 3.18Å
392	P	94.2	Very high	96.3	Very high	24 Å²	24	50.1 Å²	50.1	16%	0.156	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56.5	133.8	172.6	-23	34.7	0	0	0	110.8	M398 L402	P392-M398 HydrophobicContact CB-CE 4.41Å; P392-M398 HydrophobicContact CG-CE 4.28Å; P392-L402 HydrophobicContact CB-CD1 4.01Å; P392-L402 HydrophobicContact CG-CD1 3.76Å
393	P	92.9	Very high	96.3	Very high	51 Å²	51	48.8 Å²	48.8	33%	0.331	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-69.8	161.3	173.8	30.5	-35.1	0	0	0	111.2	E395 M398 C399	P393-E395 WeakPolarHBondContact CB-O 3.45Å; P393-E395 VanDerWaalsContact CG-O 3.22Å; P393-E395 WeakPolarHBondContact CG-O 3Å; P393-E395 PolarHBondContact O-N 3.45Å; P393-M398 HydrophobicContact CG-CB 4.2Å; P393-C399 HydrophobicContact CG-CB 4.43Å; P393-C399 WeakPolarHBondContact O-CB 3.36Å
394	D	88.3	Confident	96.3	Very high	117 Å²	117	48.8 Å²	48.8	63%	0.626	25%	0.246	S	C	*	.	S	Bend	trans	-67.3	-16.6	176.4	-63.1	-40.7	0	0	0	111.8	K148	K148-D394 IonicContact NZ-OD1 2.69Å; K148-D394 IonicContact NZ-OD2 3.78Å; K148-D394 PolarHBondContact NZ-OD2 2.94Å
395	E	93	Very high	96.2	Very high	165 Å²	165	46.2 Å²	46.2	77%	0.771	23%	0.234	S	C	*	.	S	Bend	trans	-152.8	166.9	-179.1	67.7	-173.1	171.9	0	0	113.4	P393	P393-E395 WeakPolarHBondContact CB-O 3.45Å; P393-E395 VanDerWaalsContact CG-O 3.22Å; P393-E395 WeakPolarHBondContact CG-O 3Å; P393-E395 PolarHBondContact O-N 3.45Å
396	G	96	Very high	96.2	Very high	36 Å²	36	39.6 Å²	39.6	37%	0.371	21%	0.207	S	C	.	.	S	Bend	trans	91.5	-179.5	173.6	0	0	0	0	0	114.8	M398 C399 D400	G396-M398 VanDerWaalsContact C-N 3.32Å; G396-M398 PolarHBondContact O-N 3.36Å; G396-M398 VanDerWaalsContact O-N 3.09Å; G396-C399 WeakPolarHBondContact O-CA 3.39Å; G396-C399 WeakPolarHBondContact O-CB 3.4Å; G396-C399 PolarHBondContact O-N 3.27Å; G396-D400 PolarHBondContact O-N 3.46Å
397	L	97.4	Very high	96.2	Very high	42 Å²	42	39.6 Å²	39.6	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-52	-41.3	-165.2	-176.6	61	0	0	0	115.2	P373 V378 D382 I383 I386 C399 D400 L401	P373-L397 HydrophobicContact CB-CD1 3.56Å; P373-L397 HydrophobicContact CG-CD1 3.37Å; V378-L397 HydrophobicContact CG1-CD1 3.92Å; V378-L397 HydrophobicContact CG1-CD2 4.19Å; D382-L397 HydrophobicContact CB-CD2 4.34Å; I383-L397 HydrophobicContact CG1-CD2 4.38Å; I386-L397 HydrophobicContact CD1-CB 4.39Å; I386-L397 HydrophobicContact CD1-CD2 3.71Å; I386-L397 HydrophobicContact CD1-CG 3.69Å; I386-L397 HydrophobicContact CG1-CD2 3.91Å; I386-L397 HydrophobicContact CG1-CG 4.32Å; L397-C399 VanDerWaalsContact C-N 3.34Å; L397-D400 PolarHBondContact O-N 3.45Å; L397-L401 HydrophobicContact CD1-CD1 4.35Å; L397-L401 HydrophobicContact CD1-CG 4.35Å; L397-L401 HydrophobicContact CG-CD1 4.23Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.49Å; L397-L401 PolarHBondContact O-N 3.1Å; L397-L401 VanDerWaalsContact O-N 3.09Å
398	M	98	Very high	96.2	Very high	7 Å²	7	42.6 Å²	42.6	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-33.8	176.1	-177.7	178.9	176.7	0	0	112.8	R318 L357 I386 K390 P392 P393 G396 L402	R318-M398 VanDerWaalsContact NH1-CE 3.28Å; L357-M398 HydrophobicContact CD1-CB 4.47Å; L357-M398 HydrophobicContact CD1-CG 3.91Å; L357-M398 HydrophobicContact CD2-CE 4.25Å; L357-M398 HydrophobicContact CD2-CG 4.47Å; I386-M398 HydrophobicContact CG2-CB 4.03Å; I386-M398 HydrophobicContact CG2-CG 4.37Å; I386-M398 HydrophobicContact CG2-SD 4.37Å; K390-M398 HydrophobicContact CG-SD 4.46Å; P392-M398 HydrophobicContact CB-CE 4.41Å; P392-M398 HydrophobicContact CG-CE 4.28Å; P393-M398 HydrophobicContact CG-CB 4.2Å; G396-M398 VanDerWaalsContact C-N 3.32Å; G396-M398 PolarHBondContact O-N 3.36Å; G396-M398 VanDerWaalsContact O-N 3.09Å; M398-L402 WeakPolarHBondContact O-CD1 3.49Å; M398-L402 VanDerWaalsContact O-CG 3.32Å; M398-L402 WeakPolarHBondContact O-CG 3.46Å
399	C	97.4	Very high	96.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-48.3	174.2	-177.3	0	0	0	0	110	P393 G396 L397 L401 L402 W403 V419	P393-C399 HydrophobicContact CG-CB 4.43Å; P393-C399 WeakPolarHBondContact O-CB 3.36Å; G396-C399 WeakPolarHBondContact O-CA 3.39Å; G396-C399 WeakPolarHBondContact O-CB 3.4Å; G396-C399 PolarHBondContact O-N 3.27Å; L397-C399 VanDerWaalsContact C-N 3.34Å; C399-L401 PolarHBondContact O-N 3.02Å; C399-L402 CarbonylContact O-C 3.47Å; C399-L402 PolarHBondContact O-N 3.46Å; C399-W403 WeakPolarHBondContact O-CB 3.38Å; C399-W403 PolarHBondContact O-N 3.47Å; C399-V419 WeakPolarHBondContact SG-CG2 3.41Å
400	D	98	Very high	96.3	Very high	9 Å²	9	47 Å²	47	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-41.9	-177.6	-60	-32.6	0	0	0	113	G371 A374 G396 L397 L402 W403 S404	G371-D400 PolarHBondContact N-O 2.98Å; A374-D400 WeakPolarHBondContact CB-OD2 3.01Å; A374-D400 VanDerWaalsContact N-CG 3.34Å; A374-D400 PolarHBondContact N-OD2 3.4Å; G396-D400 PolarHBondContact O-N 3.46Å; L397-D400 PolarHBondContact O-N 3.45Å; D400-L402 PolarHBondContact O-N 2.93Å; D400-L402 VanDerWaalsContact O-N 3.14Å; D400-W403 PolarHBondContact O-N 3.39Å; D400-S404 WeakPolarHBondContact CA-OG 3.45Å; D400-S404 WeakPolarHBondContact CB-OG 3.34Å; D400-S404 VanDerWaalsContact O-CB 3.27Å; D400-S404 WeakPolarHBondContact O-CB 3.49Å; D400-S404 PolarHBondContact O-N 2.94Å; D400-S404 PolarHBondContact O-OG 2.91Å
401	L	98.4	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63	-16.6	175.7	-70.8	169.8	0	0	0	113.9	M368 G370 I383 I386 L397 C399	M368-L401 HydrophobicContact CB-CD2 4.04Å; M368-L401 HydrophobicContact CE-CD2 4.01Å; M368-L401 HydrophobicContact CG-CD2 4.1Å; G370-L401 WeakPolarHBondContact CA-O 3.5Å; G370-L401 PolarHBondContact N-O 3.01Å; I383-L401 HydrophobicContact CD1-CD2 4.07Å; I383-L401 HydrophobicContact CG1-CD1 4.24Å; I383-L401 HydrophobicContact CG2-CD1 3.82Å; I386-L401 HydrophobicContact CD1-CD1 3.57Å; L397-L401 HydrophobicContact CD1-CD1 4.35Å; L397-L401 HydrophobicContact CD1-CG 4.35Å; L397-L401 HydrophobicContact CG-CD1 4.23Å; L397-L401 VanDerWaalsContact O-CG 3.27Å; L397-L401 WeakPolarHBondContact O-CG 3.49Å; L397-L401 PolarHBondContact O-N 3.1Å; L397-L401 VanDerWaalsContact O-N 3.09Å; C399-L401 PolarHBondContact O-N 3.02Å
402	L	98.1	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-109.7	-17.6	179.5	-59.7	177.2	0	0	0	113.3	R318 N320 H369 P392 M398 C399 D400	R318-L402 HydrophobicContact CB-CD2 4.39Å; R318-L402 WeakPolarHBondContact O-CD2 3.45Å; N320-L402 HydrophobicContact CB-CB 4.35Å; H369-L402 HydrophobicContact CB-CD2 4.37Å; H369-L402 PolarHBondContact CD2-O 3.35Å; P392-L402 HydrophobicContact CB-CD1 4.01Å; P392-L402 HydrophobicContact CG-CD1 3.76Å; M398-L402 WeakPolarHBondContact O-CD1 3.49Å; M398-L402 VanDerWaalsContact O-CG 3.32Å; M398-L402 WeakPolarHBondContact O-CG 3.46Å; C399-L402 CarbonylContact O-C 3.47Å; C399-L402 PolarHBondContact O-N 3.46Å; D400-L402 PolarHBondContact O-N 2.93Å; D400-L402 VanDerWaalsContact O-N 3.14Å
403	W	97.4	Very high	96.7	Very high	26 Å²	26	45.4 Å²	45.4	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-135	-16.1	-170	-70.4	103.5	0	0	0	116.7	N320 M326 C399 D400 V419 H444	N320-W403 HydrophobicContact CB-CD2 3.88Å; N320-W403 HydrophobicContact CB-CE3 4.3Å; N320-W403 HydrophobicContact CB-CG 4.44Å; N320-W403 HydrophobicContact CB-CH2 4.18Å; N320-W403 HydrophobicContact CB-CZ2 3.69Å; N320-W403 HydrophobicContact CB-CZ3 4.44Å; N320-W403 WeakPolarHBondContact ND2-CH2 3.48Å; N320-W403 WeakPolarHBondContact ND2-CZ3 3.32Å; M326-W403 HydrophobicContact CE-CH2 4.42Å; M326-W403 HydrophobicContact CE-CZ2 4.49Å; M326-W403 HydrophobicContact CG-CZ2 4.46Å; M326-W403 HydrophobicContact SD-CH2 3.66Å; M326-W403 HydrophobicContact SD-CZ2 3.97Å; C399-W403 WeakPolarHBondContact O-CB 3.38Å; C399-W403 PolarHBondContact O-N 3.47Å; D400-W403 PolarHBondContact O-N 3.39Å; W403-V419 HydrophobicContact CB-CG1 4.4Å; W403-V419 HydrophobicContact CB-CG2 4.33Å; W403-V419 HydrophobicContact CD2-CB 4.44Å; W403-V419 HydrophobicContact CD2-CG1 3.53Å; W403-V419 HydrophobicContact CD2-CG2 4.07Å; W403-V419 HydrophobicContact CE3-CG1 3.42Å; W403-V419 VanDerWaalsContact CE3-CG1 3.42Å; W403-V419 HydrophobicContact CG-CG1 4.02Å; W403-V419 HydrophobicContact CG-CG2 3.87Å; W403-V419 HydrophobicContact CH2-CG1 4.15Å; W403-V419 HydrophobicContact CZ2-CG1 4.27Å; W403-V419 HydrophobicContact CZ3-CG1 3.75Å; W403-H444 AromaticContact CE3-CE1 3.54Å; W403-H444 AromaticContact CE3-NE2 3.62Å; W403-H444 AromaticContact CZ3-CE1 3.94Å
404	S	97.9	Very high	96.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.			trans	-70.4	137.3	-177.3	-75.2	0	0	0	0	111.9	G370 G371 L372 D400 S421 R442	G370-S404 CarbonylContact C-O 3.57Å; G371-S404 WeakPolarHBondContact CA-O 3.33Å; G371-S404 PolarHBondContact N-O 3.45Å; L372-S404 WeakPolarHBondContact O-CB 3.3Å; L372-S404 PolarHBondContact O-OG 3.47Å; D400-S404 WeakPolarHBondContact CA-OG 3.45Å; D400-S404 WeakPolarHBondContact CB-OG 3.34Å; D400-S404 VanDerWaalsContact O-CB 3.27Å; D400-S404 WeakPolarHBondContact O-CB 3.49Å; D400-S404 PolarHBondContact O-N 2.94Å; D400-S404 PolarHBondContact O-OG 2.91Å; S404-S421 CarbonylContact C-O 3.08Å; S404-S421 WeakPolarHBondContact CA-O 3.49Å; S404-S421 PolarHBondContact OG-N 2.93Å; S404-S421 VanDerWaalsContact OG-N 3.11Å; S404-S421 PolarHBondContact OG-OG 2.75Å; S404-R442 PolarHBondContact O-NH1 3.4Å
405	D	98	Very high	97.1	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.6	-179	-75.3	-38	0	0	0	114.2	R417 S421 Q422 F423 R442 H444	D405-R417 IonicContact OD1-NH2 3.81Å; D405-R417 PolarHBondContact OD1-NH2 2.98Å; D405-R417 IonicContact OD2-CZ 3.85Å; D405-R417 IonicContact OD2-NE 2.7Å; D405-R417 PolarHBondContact OD2-NE 3.27Å; D405-R417 IonicContact OD2-NH2 2.63Å; D405-R417 PolarHBondContact OD2-NH2 2.75Å; D405-R417 VanDerWaalsContact OD2-NH2 3.13Å; D405-S421 PolarHBondContact N-O 2.99Å; D405-Q422 HydrophobicContact CB-CG 4.32Å; D405-Q422 CarbonylContact O-C 3.27Å; D405-Q422 WeakPolarHBondContact O-CA 3.4Å; D405-F423 WeakPolarHBondContact O-CD1 3.4Å; D405-F423 WeakPolarHBondContact O-CE1 3.43Å; D405-F423 PolarHBondContact O-N 2.92Å; D405-R442 IonicContact OD1-CZ 3.02Å; D405-R442 VanDerWaalsContact OD1-CZ 3.31Å; D405-R442 IonicContact OD1-NH1 3.97Å; D405-R442 PolarHBondContact OD1-NH1 2.88Å; D405-R442 IonicContact OD1-NH2 3.74Å; D405-R442 PolarHBondContact OD1-NH2 3.22Å; D405-H444 IonicContact OD1-CD2 3.48Å; D405-H444 PolarHBondContact OD1-CD2 2.86Å
406	P	98.2	Very high	97.1	Very high	6 Å²	6	39 Å²	39	4%	0.039	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	158.9	172.4	32.1	-35.9	0	0	0	111.7	F423 I454	P406-F423 CarbonylContact C-O 3.54Å; P406-F423 WeakPolarHBondContact CA-O 3.49Å; P406-F423 HydrophobicContact CB-CE1 4.48Å; P406-F423 HydrophobicContact CB-CE2 4.04Å; P406-F423 HydrophobicContact CB-CZ 3.94Å; P406-I454 HydrophobicContact CB-CD1 3.56Å; P406-I454 HydrophobicContact CG-CD1 3.69Å
407	Q	97.3	Very high	96.9	Very high	21 Å²	21	38.4 Å²	38.4	10%	0.098	21%	0.214	C	C	.	.			trans	-142.2	145.1	172.2	55.4	165.1	53.1	0	0	111.5	A409 L410 S413 Q422 F423 H455	Q407-A409 PolarHBondContact NE2-O 3.23Å; Q407-A409 PolarHBondContact O-N 3.34Å; Q407-L410 PolarHBondContact NE2-O 3.43Å; Q407-S413 PolarHBondContact OE1-OG 2.93Å; Q407-Q422 HydrophobicContact CB-CB 4.32Å; Q407-Q422 HydrophobicContact CG-CB 4.03Å; Q407-Q422 VanDerWaalsContact OE1-CB 3.31Å; Q407-F423 WeakPolarHBondContact CG-O 3.4Å; Q407-F423 PolarHBondContact N-O 2.8Å; Q407-H455 PolarHBondContact O-NE2 3.4Å
408	L	97.2	Very high	96.5	Very high	147 Å²	147	37.8 Å²	37.8	77%	0.77	22%	0.218	S	C	*	.	S	Bend	trans	-67.9	-22.2	177.9	-58.1	-179.6	0	0	0	113.5	I454	L408-I454 HydrophobicContact CD2-CG2 4.33Å
409	A	97.4	Very high	96.2	Very high	61 Å²	61	39 Å²	39	50%	0.504	23%	0.226	S	C	.	.	S	Bend	trans	-79.4	146	177.9	0	0	0	0	0	111.6	Q407 G424	Q407-A409 PolarHBondContact NE2-O 3.23Å; Q407-A409 PolarHBondContact O-N 3.34Å; A409-G424 VanDerWaalsContact O-CA 3.25Å; A409-G424 WeakPolarHBondContact O-CA 3.49Å
410	L	98.1	Very high	96.1	Very high	127 Å²	127	40.1 Å²	40.1	67%	0.665	24%	0.238	S	C	*	.	S	Bend	trans	-62.8	157.3	176.2	-64.3	169.5	0	0	0	112.6	Q407 P425 D426	Q407-L410 PolarHBondContact NE2-O 3.43Å; L410-P425 HydrophobicContact CD2-CG 3.88Å; L410-D426 WeakPolarHBondContact CA-OD1 3.41Å; L410-D426 HydrophobicContact CD2-CB 3.81Å
411	G	97.6	Very high	96	Very high	23 Å²	23	40.2 Å²	40.2	24%	0.237	24%	0.239	C	C	.	.	S	Bend	trans	73.2	-144.5	178.4	0	0	0	0	0	113	G424 D426 V427	G411-G424 WeakPolarHBondContact O-CA 3.42Å; G411-G424 PolarHBondContact O-N 3.13Å; G411-D426 WeakPolarHBondContact CA-OD2 3.41Å; G411-D426 VanDerWaalsContact N-CG 3.29Å; G411-D426 PolarHBondContact N-OD1 3.46Å; G411-D426 PolarHBondContact N-OD2 3.12Å; G411-V427 WeakPolarHBondContact O-CG2 3.49Å
412	R	97.1	Very high	96	Very high	71 Å²	71	40.7 Å²	40.7	27%	0.268	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.4	-175.6	-62.4	174.9	172.1	-83.7	15.1	110.5	P373 A374 T375 D376 Q422 V427	P373-R412 PolarHBondContact O-NH1 3.06Å; P373-R412 PolarHBondContact O-NH2 3.23Å; A374-R412 WeakPolarHBondContact O-CD 3.35Å; A374-R412 PolarHBondContact O-NE 2.87Å; T375-R412 PolarHBondContact O-NH2 3.16Å; D376-R412 IonicContact OD1-CZ 2.71Å; D376-R412 IonicContact OD1-NE 2.71Å; D376-R412 PolarHBondContact OD1-NE 3.02Å; D376-R412 IonicContact OD1-NH2 3.69Å; D376-R412 PolarHBondContact OD1-NH2 3.09Å; R412-Q422 VanDerWaalsContact CA-O 3.23Å; R412-Q422 WeakPolarHBondContact CA-O 3.35Å; R412-V427 HydrophobicContact CG-CG2 3.79Å; R412-V427 VanDerWaalsContact CZ-CG1 3.44Å; R412-V427 VanDerWaalsContact NH2-CG1 3.33Å
413	S	96.1	Very high	96	Very high	40 Å²	40	40.7 Å²	40.7	28%	0.28	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	164.4	169	78.1	0	0	0	0	111.9	Q407 Q422	Q407-S413 PolarHBondContact OE1-OG 2.93Å; S413-Q422 PolarHBondContact N-O 3.41Å; S413-Q422 PolarHBondContact O-N 2.82Å; S413-Q422 PolarHBondContact OG-NE2 2.88Å
414	P	94.6	Very high	96	Very high	116 Å²	116	39.5 Å²	39.5	75%	0.753	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	145.8	173.9	-23.2	34.3	0	0	0	111.4	Q422	P414-Q422 PolarHBondContact O-NE2 3.04Å
415	S	95.1	Very high	96.1	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	24%	0.241	C	C	.	.			trans	-61.6	136.6	177.6	167.3	0	0	0	0	112.8	A81 R417 G418 V419 G420	A81-S415 WeakPolarHBondContact CB-O 3.35Å; S415-R417 PolarHBondContact O-N 3.42Å; S415-R417 WeakPolarHBondContact OG-CB 3.41Å; S415-R417 PolarHBondContact OG-N 3.15Å; S415-G418 WeakPolarHBondContact O-CA 3.49Å; S415-G418 PolarHBondContact O-N 3.35Å; S415-G418 PolarHBondContact OG-N 2.9Å; S415-V419 WeakPolarHBondContact CB-O 3.32Å; S415-V419 PolarHBondContact OG-O 3.05Å; S415-G420 WeakPolarHBondContact CB-O 3.44Å
416	K	93.4	Very high	96.1	Very high	77 Å²	77	43.1 Å²	43.1	34%	0.335	26%	0.257	S	S	.	.	S	Bend	trans	-64.4	-27.8	170.9	-66	167.5	-177.7	134.2	0	112.4	L79 Y80 A81 L82 G418	L79-K416 CarbonylContact C-O 3.51Å; L79-K416 VanDerWaalsContact CA-O 3.3Å; L79-K416 WeakPolarHBondContact CA-O 3.33Å; L79-K416 HydrophobicContact CB-CB 4.39Å; L79-K416 HydrophobicContact CD2-CB 3.93Å; Y80-K416 PolarHBondContact N-O 3.33Å; A81-K416 WeakPolarHBondContact CB-O 3.45Å; A81-K416 PolarHBondContact N-O 2.86Å; L82-K416 HydrophobicContact CD1-CB 4.11Å; L82-K416 HydrophobicContact CD1-CD 4.25Å; L82-K416 HydrophobicContact CD1-CG 3.97Å; L82-K416 HydrophobicContact CD2-CG 4.45Å; L82-K416 HydrophobicContact CG-CB 4.11Å; L82-K416 HydrophobicContact CG-CG 4.22Å; L82-K416 PolarHBondContact N-O 3.15Å; K416-G418 VanDerWaalsContact C-N 3.32Å
417	R	91.4	Very high	96.1	Very high	23 Å²	23	43.4 Å²	43.4	9%	0.087	26%	0.259	C	S	.	.	S	Bend	trans	-77.4	-21.5	172	-50.6	-177.5	-166.1	-123.8	10.8	111.9	L79 D405 S415 V419 H444	L79-R417 HydrophobicContact CD2-CG 4.35Å; D405-R417 IonicContact OD1-NH2 3.81Å; D405-R417 PolarHBondContact OD1-NH2 2.98Å; D405-R417 IonicContact OD2-CZ 3.85Å; D405-R417 IonicContact OD2-NE 2.7Å; D405-R417 PolarHBondContact OD2-NE 3.27Å; D405-R417 IonicContact OD2-NH2 2.63Å; D405-R417 PolarHBondContact OD2-NH2 2.75Å; D405-R417 VanDerWaalsContact OD2-NH2 3.13Å; S415-R417 PolarHBondContact O-N 3.42Å; S415-R417 WeakPolarHBondContact OG-CB 3.41Å; S415-R417 PolarHBondContact OG-N 3.15Å; R417-V419 HydrophobicContact CB-CG1 4.22Å; R417-H444 VanDerWaalsContact CZ-CD2 3.45Å; R417-H444 PolarHBondContact NE-NE2 2.9Å; R417-H444 PolarHBondContact NH1-NE2 3.19Å; R417-H444 PolarHBondContact NH1-O 2.78Å; R417-H444 PolarHBondContact NH2-CD2 3.39Å; R417-H444 VanDerWaalsContact NH2-CD2 3.3Å; R417-H444 PolarHBondContact NH2-O 3.17Å
418	G	90.9	Very high	96.2	Very high	30 Å²	30	42.4 Å²	42.4	31%	0.309	25%	0.254	S	S	.	.	S	Bend	trans	79.7	16.1	179.8	0	0	0	0	0	115	M111 S415 K416	M111-G418 VanDerWaalsContact CE-C 3.42Å; M111-G418 VanDerWaalsContact CE-CA 3.43Å; M111-G418 WeakPolarHBondContact CE-O 3.31Å; S415-G418 WeakPolarHBondContact O-CA 3.49Å; S415-G418 PolarHBondContact O-N 3.35Å; S415-G418 PolarHBondContact OG-N 2.9Å; K416-G418 VanDerWaalsContact C-N 3.32Å
419	V	91.7	Very high	96.3	Very high	33 Å²	33	39.2 Å²	39.2	20%	0.2	24%	0.235	C	C	.	.	S	Bend	trans	-140	143.2	170.6	56.9	0	0	0	0	107.1	C399 W403 S415 R417	C399-V419 WeakPolarHBondContact SG-CG2 3.41Å; W403-V419 HydrophobicContact CB-CG1 4.4Å; W403-V419 HydrophobicContact CB-CG2 4.33Å; W403-V419 HydrophobicContact CD2-CB 4.44Å; W403-V419 HydrophobicContact CD2-CG1 3.53Å; W403-V419 HydrophobicContact CD2-CG2 4.07Å; W403-V419 HydrophobicContact CE3-CG1 3.42Å; W403-V419 VanDerWaalsContact CE3-CG1 3.42Å; W403-V419 HydrophobicContact CG-CG1 4.02Å; W403-V419 HydrophobicContact CG-CG2 3.87Å; W403-V419 HydrophobicContact CH2-CG1 4.15Å; W403-V419 HydrophobicContact CZ2-CG1 4.27Å; W403-V419 HydrophobicContact CZ3-CG1 3.75Å; S415-V419 WeakPolarHBondContact CB-O 3.32Å; S415-V419 PolarHBondContact OG-O 3.05Å; R417-V419 HydrophobicContact CB-CG1 4.22Å
420	G	93.9	Very high	96.3	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	23%	0.234	C	C	.	.	S	Bend	trans	68.1	-163.2	-165.1	0	0	0	0	0	113.5	S415	S415-G420 WeakPolarHBondContact CB-O 3.44Å
421	S	96.1	Very high	96.3	Very high	11 Å²	11	33.8 Å²	33.8	8%	0.077	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	176.5	-179.1	71.1	0	0	0	0	112.9	S404 D405	S404-S421 CarbonylContact C-O 3.08Å; S404-S421 WeakPolarHBondContact CA-O 3.49Å; S404-S421 PolarHBondContact OG-N 2.93Å; S404-S421 VanDerWaalsContact OG-N 3.11Å; S404-S421 PolarHBondContact OG-OG 2.75Å; D405-S421 PolarHBondContact N-O 2.99Å
422	Q	98.1	Very high	96.4	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143	160.8	-74.3	174.4	105.4	0	0	111.4	D405 Q407 R412 S413 P414	D405-Q422 HydrophobicContact CB-CG 4.32Å; D405-Q422 CarbonylContact O-C 3.27Å; D405-Q422 WeakPolarHBondContact O-CA 3.4Å; Q407-Q422 HydrophobicContact CB-CB 4.32Å; Q407-Q422 HydrophobicContact CG-CB 4.03Å; Q407-Q422 VanDerWaalsContact OE1-CB 3.31Å; R412-Q422 VanDerWaalsContact CA-O 3.23Å; R412-Q422 WeakPolarHBondContact CA-O 3.35Å; S413-Q422 PolarHBondContact N-O 3.41Å; S413-Q422 PolarHBondContact O-N 2.82Å; S413-Q422 PolarHBondContact OG-NE2 2.88Å; P414-Q422 PolarHBondContact O-NE2 3.04Å
423	F	98.5	Very high	96.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.2	-177.3	62.5	-87.6	0	0	0	113.5	L372 D405 P406 Q407 V427 T428 I440 H455	L372-F423 HydrophobicContact CB-CB 4.48Å; L372-F423 HydrophobicContact CB-CD1 3.96Å; L372-F423 HydrophobicContact CB-CD2 4.03Å; L372-F423 HydrophobicContact CB-CE1 4.19Å; L372-F423 HydrophobicContact CB-CE2 4.23Å; L372-F423 HydrophobicContact CB-CG 3.89Å; L372-F423 HydrophobicContact CB-CZ 4.31Å; L372-F423 HydrophobicContact CD1-CD2 3.68Å; L372-F423 HydrophobicContact CD1-CE2 3.86Å; L372-F423 HydrophobicContact CD1-CG 4.32Å; L372-F423 HydrophobicContact CG-CD2 3.94Å; L372-F423 HydrophobicContact CG-CE1 4.5Å; L372-F423 HydrophobicContact CG-CE2 3.82Å; L372-F423 HydrophobicContact CG-CG 4.33Å; L372-F423 HydrophobicContact CG-CZ 4.12Å; L372-F423 VanDerWaalsContact N-CE1 3.31Å; D405-F423 WeakPolarHBondContact O-CD1 3.4Å; D405-F423 WeakPolarHBondContact O-CE1 3.43Å; D405-F423 PolarHBondContact O-N 2.92Å; P406-F423 CarbonylContact C-O 3.54Å; P406-F423 WeakPolarHBondContact CA-O 3.49Å; P406-F423 HydrophobicContact CB-CE1 4.48Å; P406-F423 HydrophobicContact CB-CE2 4.04Å; P406-F423 HydrophobicContact CB-CZ 3.94Å; Q407-F423 WeakPolarHBondContact CG-O 3.4Å; Q407-F423 PolarHBondContact N-O 2.8Å; F423-V427 HydrophobicContact CB-CB 4.15Å; F423-V427 HydrophobicContact CB-CG1 3.9Å; F423-T428 WeakPolarHBondContact CD2-OG1 3.34Å; F423-I440 HydrophobicContact CE2-CD1 4.18Å; F423-I440 HydrophobicContact CZ-CD1 4.34Å; F423-H455 PolarHBondContact O-CE1 2.89Å
424	G	98.5	Very high	96.6	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.			trans	-87.7	-178.9	-177.1	0	0	0	0	0	115.6	A409 G411 V427 T428	A409-G424 VanDerWaalsContact O-CA 3.25Å; A409-G424 WeakPolarHBondContact O-CA 3.49Å; G411-G424 WeakPolarHBondContact O-CA 3.42Å; G411-G424 PolarHBondContact O-N 3.13Å; G424-V427 PolarHBondContact O-N 3.16Å; G424-T428 PolarHBondContact O-N 3.07Å; G424-T428 VanDerWaalsContact O-N 3.09Å; G424-T428 PolarHBondContact O-OG1 3.32Å
425	P	98.6	Very high	96.8	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-69.4	-32.2	178.9	26.7	-33.4	0	0	0	113.3	L410 T428 E429 H455	L410-P425 HydrophobicContact CD2-CG 3.88Å; P425-T428 PolarHBondContact O-N 3.43Å; P425-E429 WeakPolarHBondContact O-CB 3.38Å; P425-E429 PolarHBondContact O-N 3.14Å; P425-H455 HydrophobicContact CB-CB 3.79Å
426	D	98.5	Very high	96.9	Very high	66 Å²	66	40 Å²	40	35%	0.353	22%	0.221	S	C	.	.	H	α-helix	trans	-65.5	-42	172.6	56.2	-37.5	0	0	0	112.5	L410 G411 T428 E429 A430	L410-D426 WeakPolarHBondContact CA-OD1 3.41Å; L410-D426 HydrophobicContact CD2-CB 3.81Å; G411-D426 WeakPolarHBondContact CA-OD2 3.41Å; G411-D426 VanDerWaalsContact N-CG 3.29Å; G411-D426 PolarHBondContact N-OD1 3.46Å; G411-D426 PolarHBondContact N-OD2 3.12Å; D426-T428 VanDerWaalsContact C-N 3.3Å; D426-T428 PolarHBondContact O-N 3.39Å; D426-E429 PolarHBondContact O-N 2.91Å; D426-A430 VanDerWaalsContact O-CB 3.32Å; D426-A430 WeakPolarHBondContact O-CB 3.36Å; D426-A430 PolarHBondContact O-N 2.94Å
427	V	98.6	Very high	97.2	Very high	12 Å²	12	36.8 Å²	36.8	7%	0.073	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-41.4	173.3	-179.9	0	0	0	0	110.7	L372 G411 R412 F423 G424 A430 F431	L372-V427 HydrophobicContact CD1-CG1 4.26Å; G411-V427 WeakPolarHBondContact O-CG2 3.49Å; R412-V427 HydrophobicContact CG-CG2 3.79Å; R412-V427 VanDerWaalsContact CZ-CG1 3.44Å; R412-V427 VanDerWaalsContact NH2-CG1 3.33Å; F423-V427 HydrophobicContact CB-CB 4.15Å; F423-V427 HydrophobicContact CB-CG1 3.9Å; G424-V427 PolarHBondContact O-N 3.16Å; V427-A430 PolarHBondContact O-N 3.45Å; V427-F431 WeakPolarHBondContact O-CB 3.49Å; V427-F431 PolarHBondContact O-N 3.17Å
428	T	98.8	Very high	97.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.4	-45.1	179	-55	0	0	0	0	111.6	L372 F423 G424 P425 D426 C432 I440 H455 K458 C459	L372-T428 HydrophobicContact CD1-CG2 4.5Å; F423-T428 WeakPolarHBondContact CD2-OG1 3.34Å; G424-T428 PolarHBondContact O-N 3.07Å; G424-T428 VanDerWaalsContact O-N 3.09Å; G424-T428 PolarHBondContact O-OG1 3.32Å; P425-T428 PolarHBondContact O-N 3.43Å; D426-T428 VanDerWaalsContact C-N 3.3Å; D426-T428 PolarHBondContact O-N 3.39Å; T428-C432 WeakPolarHBondContact O-CB 3.37Å; T428-C432 PolarHBondContact O-N 3.02Å; T428-C432 PolarHBondContact O-SG 2.82Å; T428-I440 HydrophobicContact CG2-CD1 4.44Å; T428-H455 HydrophobicContact CG2-CB 4.18Å; T428-H455 PolarHBondContact OG1-ND1 3.39Å; T428-K458 HydrophobicContact CG2-CB 3.78Å; T428-C459 HydrophobicContact CG2-CB 4.12Å
429	E	98.7	Very high	97.9	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.374	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-48.5	174.1	-176.1	64.4	-127.5	0	0	111.1	P425 D426 C432 K433 K458	P425-E429 WeakPolarHBondContact O-CB 3.38Å; P425-E429 PolarHBondContact O-N 3.14Å; D426-E429 PolarHBondContact O-N 2.91Å; E429-C432 PolarHBondContact O-N 3.33Å; E429-K433 WeakPolarHBondContact O-CB 3.35Å; E429-K433 PolarHBondContact O-N 3.28Å; E429-K458 WeakPolarHBondContact OE1-CE 3.48Å; E429-K458 WeakPolarHBondContact OE2-CD 3.31Å; E429-K458 WeakPolarHBondContact OE2-CE 3.25Å
430	A	98.6	Very high	98.3	Very high	58 Å²	58	35.9 Å²	35.9	48%	0.479	20%	0.195	S	C	.	.	H	α-helix	trans	-60.3	-48.6	179.4	0	0	0	0	0	112.1	D426 V427 K433 L434	D426-A430 VanDerWaalsContact O-CB 3.32Å; D426-A430 WeakPolarHBondContact O-CB 3.36Å; D426-A430 PolarHBondContact O-N 2.94Å; V427-A430 PolarHBondContact O-N 3.45Å; A430-K433 PolarHBondContact O-N 3.31Å; A430-L434 VanDerWaalsContact O-CB 3.28Å; A430-L434 WeakPolarHBondContact O-CB 3.37Å; A430-L434 PolarHBondContact O-N 3.08Å
431	F	98.7	Very high	98.5	Very high	15 Å²	15	34.8 Å²	34.8	7%	0.066	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-44.9	178.7	-178	-88.6	0	0	0	112.2	L366 L372 P373 V378 I383 V427 L434 N435 L437	L366-F431 HydrophobicContact CD2-CE1 3.68Å; L366-F431 HydrophobicContact CD2-CZ 3.81Å; L372-F431 HydrophobicContact CD1-CB 3.94Å; L372-F431 HydrophobicContact CD1-CD1 4.45Å; L372-F431 HydrophobicContact CD1-CG 4.21Å; L372-F431 HydrophobicContact CD2-CB 4.35Å; L372-F431 HydrophobicContact CD2-CD1 3.46Å; L372-F431 VanDerWaalsContact CD2-CD1 3.46Å; L372-F431 HydrophobicContact CD2-CD2 4.17Å; L372-F431 HydrophobicContact CD2-CE1 3.72Å; L372-F431 HydrophobicContact CD2-CE2 4.38Å; L372-F431 HydrophobicContact CD2-CG 3.71Å; L372-F431 HydrophobicContact CD2-CZ 4.17Å; P373-F431 HydrophobicContact CG-CE2 4.31Å; V378-F431 WeakPolarHBondContact O-CE2 3.32Å; I383-F431 HydrophobicContact CD1-CZ 4.33Å; V427-F431 WeakPolarHBondContact O-CB 3.49Å; V427-F431 PolarHBondContact O-N 3.17Å; F431-L434 PolarHBondContact O-N 3.41Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.23Å; F431-N435 WeakPolarHBondContact O-CB 3.35Å; F431-N435 PolarHBondContact O-N 2.86Å; F431-N435 VanDerWaalsContact O-N 3.09Å; F431-N435 PolarHBondContact O-ND2 3.19Å; F431-N435 VanDerWaalsContact O-ND2 3.1Å; F431-L437 HydrophobicContact CD1-CD1 4.26Å; F431-L437 HydrophobicContact CE1-CD1 3.79Å
432	C	98.8	Very high	98.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-43.6	178.2	-68.1	0	0	0	0	111.2	T428 E429 N435 N436 L437 K458	T428-C432 WeakPolarHBondContact O-CB 3.37Å; T428-C432 PolarHBondContact O-N 3.02Å; T428-C432 PolarHBondContact O-SG 2.82Å; E429-C432 PolarHBondContact O-N 3.33Å; C432-N435 CarbonylContact O-C 3.54Å; C432-N435 PolarHBondContact O-N 3.46Å; C432-N436 WeakPolarHBondContact O-CA 3.34Å; C432-N436 PolarHBondContact O-N 3.38Å; C432-L437 HydrophobicContact CB-CB 4.2Å; C432-L437 PolarHBondContact O-N 2.92Å; C432-K458 HydrophobicContact CB-CD 4.42Å
433	K	98.6	Very high	98.6	Very high	166 Å²	166	33.8 Å²	33.8	72%	0.722	18%	0.177	S	C	*	.	H	α-helix	trans	-64.5	-43.8	178	-178.8	179.4	176.8	-177.5	0	112.5	E429 A430 N435 N436	E429-K433 WeakPolarHBondContact O-CB 3.35Å; E429-K433 PolarHBondContact O-N 3.28Å; A430-K433 PolarHBondContact O-N 3.31Å; K433-N435 VanDerWaalsContact C-N 3.33Å; K433-N435 PolarHBondContact O-N 3.14Å; K433-N436 PolarHBondContact O-N 3.35Å
434	L	98.6	Very high	98.6	Very high	79 Å²	79	34.2 Å²	34.2	41%	0.414	18%	0.179	S	C	.	.	H	α-helix	trans	-60.7	-43.3	178.2	178.6	63	0	0	0	111.5	L379 A430 F431	L379-L434 HydrophobicContact CD2-CD1 3.95Å; L379-L434 HydrophobicContact CD2-CD2 3.81Å; L379-L434 HydrophobicContact CD2-CG 3.69Å; A430-L434 VanDerWaalsContact O-CB 3.28Å; A430-L434 WeakPolarHBondContact O-CB 3.37Å; A430-L434 PolarHBondContact O-N 3.08Å; F431-L434 PolarHBondContact O-N 3.41Å
435	N	98.6	Very high	98.4	Very high	18 Å²	18	36 Å²	36	10%	0.096	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	8.8	-175.6	-69.1	-70.5	0	0	0	114.2	V378 L379 L380 F431 C432 K433 L437	V378-N435 PolarHBondContact O-ND2 2.93Å; V378-N435 VanDerWaalsContact O-ND2 3.12Å; L379-N435 VanDerWaalsContact CA-OD1 3.3Å; L379-N435 WeakPolarHBondContact CA-OD1 3.37Å; L380-N435 HydrophobicContact CD1-CB 4.24Å; L380-N435 HydrophobicContact CD2-CB 4.34Å; L380-N435 HydrophobicContact CG-CB 3.92Å; L380-N435 PolarHBondContact N-OD1 3.25Å; F431-N435 WeakPolarHBondContact CE2-ND2 3.23Å; F431-N435 WeakPolarHBondContact O-CB 3.35Å; F431-N435 PolarHBondContact O-N 2.86Å; F431-N435 VanDerWaalsContact O-N 3.09Å; F431-N435 PolarHBondContact O-ND2 3.19Å; F431-N435 VanDerWaalsContact O-ND2 3.1Å; C432-N435 CarbonylContact O-C 3.54Å; C432-N435 PolarHBondContact O-N 3.46Å; K433-N435 VanDerWaalsContact C-N 3.33Å; K433-N435 PolarHBondContact O-N 3.14Å; N435-L437 VanDerWaalsContact C-N 3.32Å; N435-L437 HydrophobicContact CB-CD1 4.09Å; N435-L437 HydrophobicContact CB-CG 4.05Å; N435-L437 PolarHBondContact O-N 3.1Å
436	N	98.4	Very high	98.2	Very high	124 Å²	124	37.9 Å²	37.9	66%	0.663	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	44	-178.9	-171	73.7	0	0	0	113.9	C432 K433	C432-N436 WeakPolarHBondContact O-CA 3.34Å; C432-N436 PolarHBondContact O-N 3.38Å; K433-N436 PolarHBondContact O-N 3.35Å
437	L	98.7	Very high	98	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	19%	0.187	C	C	.	.			trans	-100	148.3	176.5	-56.3	172.6	0	0	0	111.3	L360 R364 L366 L380 F431 C432 N435 I440	L360-L437 HydrophobicContact CD1-CD2 3.73Å; R364-L437 CarbonylContact O-C 3.55Å; R364-L437 WeakPolarHBondContact O-CA 3.16Å; L366-L437 HydrophobicContact CB-CD1 3.64Å; L366-L437 HydrophobicContact CB-CD2 4.36Å; L366-L437 HydrophobicContact CD2-CD1 4.33Å; L380-L437 HydrophobicContact CD1-CD2 4.4Å; F431-L437 HydrophobicContact CD1-CD1 4.26Å; F431-L437 HydrophobicContact CE1-CD1 3.79Å; C432-L437 HydrophobicContact CB-CB 4.2Å; C432-L437 PolarHBondContact O-N 2.92Å; N435-L437 VanDerWaalsContact C-N 3.32Å; N435-L437 HydrophobicContact CB-CD1 4.09Å; N435-L437 HydrophobicContact CB-CG 4.05Å; N435-L437 PolarHBondContact O-N 3.1Å; L437-I440 HydrophobicContact CD1-CG2 4.38Å
438	D	98.5	Very high	97.8	Very high	53 Å²	53	40 Å²	40	28%	0.283	22%	0.215	S	C	.	.	S	Bend	trans	-73.7	-51.6	169.2	-67.3	-39.3	0	0	0	110.4	R364 K458	R364-D438 IonicContact CZ-OD1 2.56Å; R364-D438 IonicContact CZ-OD2 2.74Å; R364-D438 VanDerWaalsContact CZ-OD2 3.23Å; R364-D438 IonicContact NE-OD1 2.9Å; R364-D438 PolarHBondContact NE-OD1 2.9Å; R364-D438 VanDerWaalsContact NE-OD1 3.15Å; R364-D438 IonicContact NE-OD2 3.35Å; R364-D438 PolarHBondContact NE-OD2 3.37Å; R364-D438 IonicContact NH2-OD1 2.76Å; R364-D438 PolarHBondContact NH2-OD1 3.23Å; R364-D438 IonicContact NH2-OD2 3.11Å; R364-D438 PolarHBondContact NH2-OD2 2.91Å; R364-D438 PolarHBondContact O-N 3.36Å; D438-K458 PolarHBondContact O-NZ 3.22Å
439	Y	98.8	Very high	97.8	Very high	15 Å²	15	44 Å²	44	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	169.3	-177.3	66.2	-89.7	0	0	0	111.4	I365 I441 K458 V460 L486 P488	I365-Y439 WeakPolarHBondContact CA-O 3.44Å; I365-Y439 HydrophobicContact CD1-CE1 3.88Å; I365-Y439 HydrophobicContact CD1-CE2 4.28Å; I365-Y439 VanDerWaalsContact CD1-OH 3.24Å; I365-Y439 WeakPolarHBondContact CD1-OH 3.47Å; I365-Y439 HydrophobicContact CG1-CD1 4.24Å; I365-Y439 HydrophobicContact CG1-CE1 3.72Å; I365-Y439 HydrophobicContact CG1-CE2 4.19Å; I365-Y439 HydrophobicContact CG2-CD2 4.13Å; I365-Y439 HydrophobicContact CG2-CE2 3.84Å; Y439-I441 HydrophobicContact CD2-CG1 4.07Å; Y439-I441 HydrophobicContact CE2-CD1 3.88Å; Y439-I441 HydrophobicContact CE2-CG1 3.56Å; Y439-K458 CarbonylContact C-O 3.2Å; Y439-K458 WeakPolarHBondContact CA-O 3.33Å; Y439-K458 WeakPolarHBondContact CB-O 3.37Å; Y439-V460 HydrophobicContact CD2-CG2 3.83Å; Y439-V460 HydrophobicContact CE2-CG2 4.03Å; Y439-L486 WeakPolarHBondContact CE1-O 3.45Å; Y439-L486 PolarHBondContact OH-O 3.2Å; Y439-P488 HydrophobicContact CE2-CG 4.34Å; Y439-P488 WeakPolarHBondContact OH-CD 3.3Å
440	I	98.9	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.3	172.1	68.6	178.2	0	0	0	111.4	L366 L372 F423 T428 L437 K458 C459 V460	L366-I440 HydrophobicContact CB-CG2 4.3Å; L366-I440 CarbonylContact O-C 3.54Å; L366-I440 VanDerWaalsContact O-CA 3.32Å; L366-I440 WeakPolarHBondContact O-CA 3.45Å; L372-I440 HydrophobicContact CD1-CD1 4.08Å; L372-I440 HydrophobicContact CD2-CD1 3.7Å; L372-I440 HydrophobicContact CD2-CG2 4.33Å; L372-I440 HydrophobicContact CG-CD1 3.68Å; F423-I440 HydrophobicContact CE2-CD1 4.18Å; F423-I440 HydrophobicContact CZ-CD1 4.34Å; T428-I440 HydrophobicContact CG2-CD1 4.44Å; L437-I440 HydrophobicContact CD1-CG2 4.38Å; I440-K458 PolarHBondContact N-O 2.84Å; I440-C459 HydrophobicContact CD1-CB 4.49Å; I440-C459 HydrophobicContact CG1-CB 4.2Å; I440-V460 PolarHBondContact O-N 2.87Å
441	I	98.9	Very high	97.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.4	168.4	-58.4	172.3	0	0	0	108.8	I256 I365 L366 V367 M368 Y439 V460 V462 I479	I256-I441 HydrophobicContact CD1-CD1 4.1Å; I256-I441 HydrophobicContact CG1-CD1 4.27Å; I256-I441 HydrophobicContact CG2-CG2 4.27Å; I365-I441 HydrophobicContact CG2-CD1 3.78Å; I365-I441 HydrophobicContact CG2-CG1 3.79Å; L366-I441 PolarHBondContact O-N 2.93Å; V367-I441 WeakPolarHBondContact CA-O 3.35Å; V367-I441 HydrophobicContact CB-CB 4.47Å; V367-I441 HydrophobicContact CG1-CB 4.04Å; V367-I441 HydrophobicContact CG1-CG2 4.15Å; V367-I441 HydrophobicContact CG2-CB 4.12Å; V367-I441 HydrophobicContact CG2-CD1 4.28Å; M368-I441 PolarHBondContact N-O 3.31Å; Y439-I441 HydrophobicContact CD2-CG1 4.07Å; Y439-I441 HydrophobicContact CE2-CD1 3.88Å; Y439-I441 HydrophobicContact CE2-CG1 3.56Å; I441-V460 CarbonylContact C-O 3.5Å; I441-V460 WeakPolarHBondContact CA-O 3.48Å; I441-V460 HydrophobicContact CG1-CB 4.29Å; I441-V462 HydrophobicContact CG2-CG1 3.99Å; I441-I479 HydrophobicContact CD1-CD1 3.97Å; I441-I479 HydrophobicContact CG1-CD1 4.27Å; I441-I479 HydrophobicContact CG2-CD1 3.69Å
442	R	98.8	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	175.2	174.3	59	151.4	-72.3	156.7	-19.9	113.1	M368 G370 S404 D405 E445 V460 T461 V462	M368-R442 VanDerWaalsContact O-CA 3.28Å; M368-R442 WeakPolarHBondContact O-CA 3.4Å; G370-R442 WeakPolarHBondContact O-CB 3.01Å; G370-R442 VanDerWaalsContact O-CD 3.24Å; G370-R442 WeakPolarHBondContact O-CD 3.43Å; G370-R442 PolarHBondContact O-NE 2.88Å; G370-R442 PolarHBondContact O-NH1 3.18Å; S404-R442 PolarHBondContact O-NH1 3.4Å; D405-R442 IonicContact OD1-CZ 3.02Å; D405-R442 VanDerWaalsContact OD1-CZ 3.31Å; D405-R442 IonicContact OD1-NH1 3.97Å; D405-R442 PolarHBondContact OD1-NH1 2.88Å; D405-R442 IonicContact OD1-NH2 3.74Å; D405-R442 PolarHBondContact OD1-NH2 3.22Å; R442-E445 VanDerWaalsContact NH2-CG 3.29Å; R442-E445 IonicContact NH2-OE2 2.7Å; R442-V460 WeakPolarHBondContact CG-O 3.28Å; R442-V460 PolarHBondContact N-O 3.1Å; R442-T461 WeakPolarHBondContact CD-OG1 3.24Å; R442-T461 CarbonylContact O-C 3.58Å; R442-T461 WeakPolarHBondContact O-CA 3.22Å; R442-V462 PolarHBondContact O-N 3.03Å
443	S	98.6	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.			trans	-127.6	-127.6	178.5	-35.3	0	0	0	0	110.6	G258 D259 N286 H369 E445 T461 V462	G258-S443 WeakPolarHBondContact CA-OG 3.28Å; D259-S443 WeakPolarHBondContact OD1-CB 3.2Å; N286-S443 WeakPolarHBondContact CB-OG 3.28Å; N286-S443 PolarHBondContact ND2-OG 3.03Å; N286-S443 PolarHBondContact O-OG 2.75Å; N286-S443 VanDerWaalsContact O-OG 3.07Å; H369-S443 CarbonylContact O-C 3.55Å; H369-S443 PolarHBondContact O-N 2.89Å; S443-E445 PolarHBondContact O-N 2.69Å; S443-T461 WeakPolarHBondContact O-CG2 3.29Å; S443-V462 VanDerWaalsContact CA-O 3.22Å; S443-V462 WeakPolarHBondContact CA-O 3.39Å; S443-V462 WeakPolarHBondContact CB-O 3.46Å
444	H	97.3	Very high	97.7	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.042	21%	0.205	C	C	.	.	S	Bend	trans	65	-13.2	162.3	-166.8	68.9	0	0	0	117.9	D259 N320 H369 W403 D405 R417	D259-H444 PolarHBondContact OD1-N 3.14Å; D259-H444 VanDerWaalsContact OD1-N 3.09Å; D259-H444 VanDerWaalsContact OD2-CA 3.22Å; D259-H444 WeakPolarHBondContact OD2-CA 3.36Å; D259-H444 PolarHBondContact OD2-N 2.86Å; N320-H444 VanDerWaalsContact CG-CE1 3.42Å; N320-H444 PolarHBondContact OD1-CE1 3.45Å; N320-H444 PolarHBondContact OD1-ND1 2.92Å; H369-H444 AromaticContact CD2-ND1 3.78Å; H369-H444 WeakPolarHBondContact NE2-CB 3.46Å; H369-H444 AromaticContact NE2-CG 3.55Å; H369-H444 AromaticContact NE2-ND1 3.09Å; H369-H444 PolarHBondContact NE2-ND1 2.86Å; W403-H444 AromaticContact CE3-CE1 3.54Å; W403-H444 AromaticContact CE3-NE2 3.62Å; W403-H444 AromaticContact CZ3-CE1 3.94Å; D405-H444 IonicContact OD1-CD2 3.48Å; D405-H444 PolarHBondContact OD1-CD2 2.86Å; R417-H444 VanDerWaalsContact CZ-CD2 3.45Å; R417-H444 PolarHBondContact NE-NE2 2.9Å; R417-H444 PolarHBondContact NH1-NE2 3.19Å; R417-H444 PolarHBondContact NH1-O 2.78Å; R417-H444 PolarHBondContact NH2-CD2 3.39Å; R417-H444 VanDerWaalsContact NH2-CD2 3.3Å; R417-H444 PolarHBondContact NH2-O 3.17Å
445	E	95	Very high	97.7	Very high	36 Å²	36	36.1 Å²	36.1	17%	0.168	19%	0.188	C	C	.	.	S	Bend	trans	-122.5	125.6	175.4	-89.7	-177.5	141.1	0	0	110.4	R442 S443 K447 T461 F463	R442-E445 VanDerWaalsContact NH2-CG 3.29Å; R442-E445 IonicContact NH2-OE2 2.7Å; S443-E445 PolarHBondContact O-N 2.69Å; E445-K447 PolarHBondContact O-N 3.24Å; E445-K447 IonicContact OE1-NZ 3.39Å; E445-K447 VanDerWaalsContact OE2-CE 3.29Å; E445-K447 WeakPolarHBondContact OE2-CE 3.35Å; E445-K447 IonicContact OE2-NZ 3.88Å; E445-K447 PolarHBondContact OE2-NZ 3.07Å; E445-T461 HydrophobicContact CB-CG2 4.16Å; E445-F463 WeakPolarHBondContact O-CD2 3.32Å
446	V	93.7	Very high	97.7	Very high	57 Å²	57	42.5 Å²	42.5	35%	0.345	22%	0.217	S	C	.	.			trans	-62.1	127.8	169.4	-172.4	0	0	0	0	109	F463 Y468 N474	V446-F463 HydrophobicContact CB-CE1 4.47Å; V446-F463 HydrophobicContact CB-CZ 4.43Å; V446-F463 HydrophobicContact CG1-CE1 4.35Å; V446-F463 HydrophobicContact CG2-CE1 3.99Å; V446-F463 HydrophobicContact CG2-CE2 3.87Å; V446-F463 HydrophobicContact CG2-CZ 3.6Å; V446-Y468 HydrophobicContact CG2-CD1 3.54Å; V446-Y468 HydrophobicContact CG2-CE1 3.92Å; V446-Y468 HydrophobicContact CG2-CG 4.33Å; V446-N474 HydrophobicContact CG1-CB 3.85Å
447	K	95.3	Very high	97.7	Very high	21 Å²	21	42.4 Å²	42.4	9%	0.091	22%	0.216	C	C	.	.			trans	-120.5	143.2	172.7	-56.3	-62.3	177.8	176.9	0	109.7	E445 E449 G450 E452 T461	E445-K447 PolarHBondContact O-N 3.24Å; E445-K447 IonicContact OE1-NZ 3.39Å; E445-K447 VanDerWaalsContact OE2-CE 3.29Å; E445-K447 WeakPolarHBondContact OE2-CE 3.35Å; E445-K447 IonicContact OE2-NZ 3.88Å; E445-K447 PolarHBondContact OE2-NZ 3.07Å; K447-E449 VanDerWaalsContact C-N 3.3Å; K447-E449 PolarHBondContact O-N 3.43Å; K447-G450 PolarHBondContact O-N 2.91Å; K447-E452 HydrophobicContact CB-CB 4.44Å; K447-E452 HydrophobicContact CD-CB 3.75Å; K447-E452 HydrophobicContact CD-CG 4.47Å; K447-E452 WeakPolarHBondContact CD-OE2 3.25Å; K447-E452 WeakPolarHBondContact CE-OE2 3.31Å; K447-E452 HydrophobicContact CG-CB 3.81Å; K447-E452 IonicContact NZ-OE2 3.93Å; K447-E452 PolarHBondContact NZ-OE2 3.19Å; K447-T461 HydrophobicContact CD-CG2 4.49Å; K447-T461 HydrophobicContact CG-CG2 3.98Å
448	P	94.6	Very high	97.6	Very high	102 Å²	102	43.9 Å²	43.9	66%	0.662	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.8	-174.1	-28.7	35.8	0	0	0	114.5	K475	P448-K475 PolarHBondContact O-N 3.45Å
449	E	97.6	Very high	97.7	Very high	83 Å²	83	41.4 Å²	41.4	39%	0.388	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.5	177.4	-65.5	-64.5	124.9	0	0	112.8	K447 Y451 K475 T492	K447-E449 VanDerWaalsContact C-N 3.3Å; K447-E449 PolarHBondContact O-N 3.43Å; E449-Y451 HydrophobicContact CB-CD1 4.41Å; E449-Y451 HydrophobicContact CB-CE1 4.3Å; E449-Y451 PolarHBondContact O-N 3.44Å; E449-K475 IonicContact OE1-NZ 2.69Å; E449-K475 PolarHBondContact OE1-NZ 3.16Å; E449-K475 WeakPolarHBondContact OE2-CD 3.45Å; E449-K475 IonicContact OE2-NZ 2.78Å; E449-K475 PolarHBondContact OE2-NZ 3.44Å; E449-T492 HydrophobicContact CB-CG2 4.43Å; E449-T492 WeakPolarHBondContact O-CG2 3.4Å
450	G	98	Very high	97.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	75.1	-3	-176.5	0	0	0	0	0	114.9	K447 V462 F463 K475 A477	K447-G450 PolarHBondContact O-N 2.91Å; G450-V462 CarbonylContact O-C 3.56Å; G450-F463 PolarHBondContact O-N 3.47Å; G450-K475 WeakPolarHBondContact CA-O 3.4Å; G450-K475 PolarHBondContact N-O 3.21Å; G450-A477 WeakPolarHBondContact O-CB 3.24Å
451	Y	98.6	Very high	97.7	Very high	79 Å²	79	40.7 Å²	40.7	31%	0.31	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.6	172.4	76.8	-80.5	0	0	0	111.8	E449 V453 T461 A477 F490 T492	E449-Y451 HydrophobicContact CB-CD1 4.41Å; E449-Y451 HydrophobicContact CB-CE1 4.3Å; E449-Y451 PolarHBondContact O-N 3.44Å; Y451-V453 HydrophobicContact CD2-CG2 4.28Å; Y451-V453 HydrophobicContact CE2-CG2 4.41Å; Y451-T461 CarbonylContact C-O 3.52Å; Y451-T461 WeakPolarHBondContact CA-O 3.38Å; Y451-T461 WeakPolarHBondContact CB-O 3.24Å; Y451-A477 HydrophobicContact CD1-CB 4.15Å; Y451-F490 HydrophobicContact CD1-CB 3.76Å; Y451-F490 HydrophobicContact CD1-CD1 4.1Å; Y451-F490 AromaticContact CD1-CG 3.99Å; Y451-F490 HydrophobicContact CD1-CG 3.99Å; Y451-F490 HydrophobicContact CD2-CB 4.1Å; Y451-F490 AromaticContact CD2-CD1 3.31Å; Y451-F490 HydrophobicContact CD2-CD1 3.31Å; Y451-F490 AromaticContact CD2-CD2 3.72Å; Y451-F490 HydrophobicContact CD2-CD2 3.72Å; Y451-F490 AromaticContact CD2-CE1 3.55Å; Y451-F490 HydrophobicContact CD2-CE1 3.55Å; Y451-F490 AromaticContact CD2-CE2 3.96Å; Y451-F490 HydrophobicContact CD2-CE2 3.96Å; Y451-F490 AromaticContact CD2-CG 3.4Å; Y451-F490 HydrophobicContact CD2-CG 3.4Å; Y451-F490 AromaticContact CD2-CZ 3.88Å; Y451-F490 HydrophobicContact CD2-CZ 3.88Å; Y451-F490 HydrophobicContact CE1-CB 3.65Å; Y451-F490 HydrophobicContact CE1-CG 4.03Å; Y451-F490 HydrophobicContact CE2-CB 4Å; Y451-F490 AromaticContact CE2-CD1 3.9Å; Y451-F490 HydrophobicContact CE2-CD1 3.9Å; Y451-F490 AromaticContact CE2-CD2 3.4Å; Y451-F490 HydrophobicContact CE2-CD2 3.4Å; Y451-F490 HydrophobicContact CE2-CE1 4.24Å; Y451-F490 AromaticContact CE2-CE2 3.81Å; Y451-F490 HydrophobicContact CE2-CE2 3.81Å; Y451-F490 AromaticContact CE2-CG 3.46Å; Y451-F490 HydrophobicContact CE2-CG 3.46Å; Y451-F490 VanDerWaalsContact CE2-CG 3.46Å; Y451-F490 HydrophobicContact CE2-CZ 4.21Å; Y451-F490 HydrophobicContact CG-CB 3.98Å; Y451-F490 AromaticContact CG-CD1 3.42Å; Y451-F490 HydrophobicContact CG-CD1 3.42Å; Y451-F490 VanDerWaalsContact CG-CD1 3.42Å; Y451-F490 HydrophobicContact CG-CD2 4.43Å; Y451-F490 HydrophobicContact CG-CE1 4.01Å; Y451-F490 AromaticContact CG-CG 3.67Å; Y451-F490 HydrophobicContact CG-CG 3.67Å; Y451-F490 AromaticContact CZ-CD2 3.88Å; Y451-F490 AromaticContact CZ-CG 3.78Å; Y451-T492 HydrophobicContact CD1-CG2 3.85Å; Y451-T492 HydrophobicContact CE1-CG2 3.63Å
452	E	98.4	Very high	97.7	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	149.1	169.9	-165.5	-179.4	-140.6	0	0	109.9	K447 I454 V460 T461	K447-E452 HydrophobicContact CB-CB 4.44Å; K447-E452 HydrophobicContact CD-CB 3.75Å; K447-E452 HydrophobicContact CD-CG 4.47Å; K447-E452 WeakPolarHBondContact CD-OE2 3.25Å; K447-E452 WeakPolarHBondContact CE-OE2 3.31Å; K447-E452 HydrophobicContact CG-CB 3.81Å; K447-E452 IonicContact NZ-OE2 3.93Å; K447-E452 PolarHBondContact NZ-OE2 3.19Å; E452-I454 HydrophobicContact CG-CG2 3.96Å; E452-V460 WeakPolarHBondContact O-CA 3.32Å; E452-T461 PolarHBondContact N-O 3.4Å; E452-T461 PolarHBondContact O-N 2.97Å
453	V	98.6	Very high	97.6	Very high	48 Å²	48	40.8 Å²	40.8	29%	0.291	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.4	175.3	-177.7	0	0	0	0	108.5	Y451 D457 V460 F490	Y451-V453 HydrophobicContact CD2-CG2 4.28Å; Y451-V453 HydrophobicContact CE2-CG2 4.41Å; V453-D457 HydrophobicContact CG1-CB 4.18Å; V453-D457 WeakPolarHBondContact CG1-OD1 3.45Å; V453-V460 HydrophobicContact CG1-CG2 4.4Å; V453-V460 HydrophobicContact CG2-CG1 4.39Å; V453-V460 HydrophobicContact CG2-CG2 4.29Å; V453-F490 HydrophobicContact CG2-CE1 4.33Å; V453-F490 HydrophobicContact CG2-CE2 3.76Å; V453-F490 HydrophobicContact CG2-CZ 3.43Å; V453-F490 VanDerWaalsContact CG2-CZ 3.43Å
454	I	98.4	Very high	97.6	Very high	22 Å²	22	40.8 Å²	40.8	11%	0.113	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	-179.6	-175.7	56.8	-179.7	0	0	0	110.8	P406 L408 E452 H456 D457 K458 C459	P406-I454 HydrophobicContact CB-CD1 3.56Å; P406-I454 HydrophobicContact CG-CD1 3.69Å; L408-I454 HydrophobicContact CD2-CG2 4.33Å; E452-I454 HydrophobicContact CG-CG2 3.96Å; I454-H456 PolarHBondContact O-N 3.41Å; I454-D457 PolarHBondContact O-N 3.37Å; I454-K458 PolarHBondContact O-N 2.93Å; I454-C459 HydrophobicContact CG1-CB 4.04Å; I454-C459 PolarHBondContact N-O 2.77Å; I454-C459 PolarHBondContact O-N 3.44Å
455	H	98.6	Very high	97.7	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.056	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	47.2	178.7	-55.2	174.7	0	0	0	112.9	Q407 F423 P425 T428 K458 C459	Q407-H455 PolarHBondContact O-NE2 3.4Å; F423-H455 PolarHBondContact O-CE1 2.89Å; P425-H455 HydrophobicContact CB-CB 3.79Å; T428-H455 HydrophobicContact CG2-CB 4.18Å; T428-H455 PolarHBondContact OG1-ND1 3.39Å; H455-K458 WeakPolarHBondContact O-CB 3.46Å; H455-K458 PolarHBondContact O-N 3.43Å; H455-C459 HydrophobicContact CB-CB 4.01Å
456	H	97.8	Very high	97.7	Very high	151 Å²	151	38.7 Å²	38.7	70%	0.699	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	51.3	-178.6	-41.5	109.4	0	0	0	112.2	I454 K458	I454-H456 PolarHBondContact O-N 3.41Å; H456-K458 PolarHBondContact O-N 2.89Å; H456-K458 VanDerWaalsContact O-N 3.13Å
457	D	97.9	Very high	97.7	Very high	123 Å²	123	38.3 Å²	38.3	66%	0.658	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	9.6	-177.6	-50.4	-47.3	0	0	0	115.6	V453 I454	V453-D457 HydrophobicContact CG1-CB 4.18Å; V453-D457 WeakPolarHBondContact CG1-OD1 3.45Å; I454-D457 PolarHBondContact O-N 3.37Å
458	K	98.6	Very high	97.5	Very high	39 Å²	39	37.6 Å²	37.6	17%	0.17	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.3	-179.8	-65.4	-170.4	168.1	-77.6	0	115.9	T428 E429 C432 D438 Y439 I440 I454 H455 H456	T428-K458 HydrophobicContact CG2-CB 3.78Å; E429-K458 WeakPolarHBondContact OE1-CE 3.48Å; E429-K458 WeakPolarHBondContact OE2-CD 3.31Å; E429-K458 WeakPolarHBondContact OE2-CE 3.25Å; C432-K458 HydrophobicContact CB-CD 4.42Å; D438-K458 PolarHBondContact O-NZ 3.22Å; Y439-K458 CarbonylContact C-O 3.2Å; Y439-K458 WeakPolarHBondContact CA-O 3.33Å; Y439-K458 WeakPolarHBondContact CB-O 3.37Å; I440-K458 PolarHBondContact N-O 2.84Å; I454-K458 PolarHBondContact O-N 2.93Å; H455-K458 WeakPolarHBondContact O-CB 3.46Å; H455-K458 PolarHBondContact O-N 3.43Å; H456-K458 PolarHBondContact O-N 2.89Å; H456-K458 VanDerWaalsContact O-N 3.13Å
459	C	98.8	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.3	174.6	-174.4	0	0	0	0	109.9	T428 I440 I454 H455	T428-C459 HydrophobicContact CG2-CB 4.12Å; I440-C459 HydrophobicContact CD1-CB 4.49Å; I440-C459 HydrophobicContact CG1-CB 4.2Å; I454-C459 HydrophobicContact CG1-CB 4.04Å; I454-C459 PolarHBondContact N-O 2.77Å; I454-C459 PolarHBondContact O-N 3.44Å; H455-C459 HydrophobicContact CB-CB 4.01Å
460	V	98.8	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.8	-179.3	-179.4	0	0	0	0	109	Y439 I440 I441 R442 E452 V453 I479 F490	Y439-V460 HydrophobicContact CD2-CG2 3.83Å; Y439-V460 HydrophobicContact CE2-CG2 4.03Å; I440-V460 PolarHBondContact O-N 2.87Å; I441-V460 CarbonylContact C-O 3.5Å; I441-V460 WeakPolarHBondContact CA-O 3.48Å; I441-V460 HydrophobicContact CG1-CB 4.29Å; R442-V460 WeakPolarHBondContact CG-O 3.28Å; R442-V460 PolarHBondContact N-O 3.1Å; E452-V460 WeakPolarHBondContact O-CA 3.32Å; V453-V460 HydrophobicContact CG1-CG2 4.4Å; V453-V460 HydrophobicContact CG2-CG1 4.39Å; V453-V460 HydrophobicContact CG2-CG2 4.29Å; V460-I479 HydrophobicContact CG1-CD1 3.7Å; V460-F490 HydrophobicContact CG1-CE1 3.53Å; V460-F490 HydrophobicContact CG1-CZ 3.72Å
461	T	98.8	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136	170.9	-62.3	0	0	0	0	109.7	R442 S443 E445 K447 Y451 E452	R442-T461 WeakPolarHBondContact CD-OG1 3.24Å; R442-T461 CarbonylContact O-C 3.58Å; R442-T461 WeakPolarHBondContact O-CA 3.22Å; S443-T461 WeakPolarHBondContact O-CG2 3.29Å; E445-T461 HydrophobicContact CB-CG2 4.16Å; K447-T461 HydrophobicContact CD-CG2 4.49Å; K447-T461 HydrophobicContact CG-CG2 3.98Å; Y451-T461 CarbonylContact C-O 3.52Å; Y451-T461 WeakPolarHBondContact CA-O 3.38Å; Y451-T461 WeakPolarHBondContact CB-O 3.24Å; E452-T461 PolarHBondContact N-O 3.4Å; E452-T461 PolarHBondContact O-N 2.97Å
462	V	98.8	Very high	94.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	140.2	173.6	57.8	0	0	0	0	111.1	G258 I441 R442 S443 G450 A477 I479	G258-V462 WeakPolarHBondContact CA-O 3.45Å; I441-V462 HydrophobicContact CG2-CG1 3.99Å; R442-V462 PolarHBondContact O-N 3.03Å; S443-V462 VanDerWaalsContact CA-O 3.22Å; S443-V462 WeakPolarHBondContact CA-O 3.39Å; S443-V462 WeakPolarHBondContact CB-O 3.46Å; G450-V462 CarbonylContact O-C 3.56Å; V462-A477 WeakPolarHBondContact CG2-O 3.28Å; V462-I479 HydrophobicContact CB-CD1 3.9Å; V462-I479 HydrophobicContact CB-CG1 4.05Å; V462-I479 HydrophobicContact CG1-CD1 3.83Å; V462-I479 HydrophobicContact CG1-CG1 4.31Å; V462-I479 HydrophobicContact CG2-CD1 4.47Å; V462-I479 HydrophobicContact CG2-CG1 4.09Å
463	F	98.5	Very high	94.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-140.5	115.9	-176.2	-164.8	-91.2	0	0	0	108.4	D259 H261 E445 V446 G450 A465 Y468 G476 A477	D259-F463 HydrophobicContact CB-CD2 3.8Å; D259-F463 HydrophobicContact CB-CE2 3.65Å; D259-F463 HydrophobicContact CB-CG 4.48Å; D259-F463 HydrophobicContact CB-CZ 4.19Å; D259-F463 VanDerWaalsContact OD2-CD2 3.24Å; D259-F463 WeakPolarHBondContact OD2-CD2 3.25Å; D259-F463 WeakPolarHBondContact OD2-CE2 3.41Å; H261-F463 AromaticContact CD2-CZ 3.94Å; E445-F463 WeakPolarHBondContact O-CD2 3.32Å; V446-F463 HydrophobicContact CB-CE1 4.47Å; V446-F463 HydrophobicContact CB-CZ 4.43Å; V446-F463 HydrophobicContact CG1-CE1 4.35Å; V446-F463 HydrophobicContact CG2-CE1 3.99Å; V446-F463 HydrophobicContact CG2-CE2 3.87Å; V446-F463 HydrophobicContact CG2-CZ 3.6Å; G450-F463 PolarHBondContact O-N 3.47Å; F463-A465 HydrophobicContact CD1-CB 4.05Å; F463-A465 WeakPolarHBondContact CD1-O 3.41Å; F463-A465 HydrophobicContact CE1-CB 3.46Å; F463-A465 VanDerWaalsContact CE1-CB 3.46Å; F463-A465 VanDerWaalsContact CE1-O 3.25Å; F463-A465 WeakPolarHBondContact CE1-O 3.23Å; F463-A465 HydrophobicContact CZ-CB 4.04Å; F463-Y468 HydrophobicContact CE1-CD2 4.29Å; F463-Y468 HydrophobicContact CE1-CG 4.08Å; F463-Y468 HydrophobicContact CZ-CD1 4.16Å; F463-Y468 HydrophobicContact CZ-CD2 4.01Å; F463-Y468 HydrophobicContact CZ-CE1 4.36Å; F463-Y468 HydrophobicContact CZ-CE2 4.26Å; F463-Y468 AromaticContact CZ-CG 3.95Å; F463-Y468 HydrophobicContact CZ-CG 3.95Å; F463-G476 CarbonylContact O-C 3.58Å; F463-G476 WeakPolarHBondContact O-CA 3.27Å; F463-A477 PolarHBondContact O-N 2.79Å
464	S	98.6	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	17%	0.169	C	C	.	.			trans	-97.1	2.8	-170.3	-33.8	0	0	0	0	114	C257 G258 D259 P466 A477 Y493	C257-S464 WeakPolarHBondContact CB-OG 3.41Å; G258-S464 WeakPolarHBondContact CA-OG 3.48Å; G258-S464 PolarHBondContact N-OG 2.99Å; G258-S464 WeakPolarHBondContact O-CB 3.47Å; G258-S464 PolarHBondContact O-OG 3.31Å; D259-S464 CarbonylContact O-C 3.55Å; D259-S464 WeakPolarHBondContact O-CA 3.46Å; D259-S464 WeakPolarHBondContact O-CB 3.29Å; D259-S464 PolarHBondContact O-N 3.46Å; S464-P466 WeakPolarHBondContact O-CD 3.41Å; S464-A477 PolarHBondContact OG-O 2.84Å; S464-Y493 WeakPolarHBondContact CA-OH 3.47Å; S464-Y493 WeakPolarHBondContact CB-OH 3.43Å; S464-Y493 PolarHBondContact O-OH 3.31Å
465	A	97.5	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.			trans	-97.3	92.4	-179.4	0	0	0	0	0	110.3	D259 H261 Q263 F463 Y468 N474	D259-A465 PolarHBondContact O-N 3.45Å; H261-A465 HydrophobicContact CB-CB 4.46Å; Q263-A465 VanDerWaalsContact OE1-CB 3.26Å; F463-A465 HydrophobicContact CD1-CB 4.05Å; F463-A465 WeakPolarHBondContact CD1-O 3.41Å; F463-A465 HydrophobicContact CE1-CB 3.46Å; F463-A465 VanDerWaalsContact CE1-CB 3.46Å; F463-A465 VanDerWaalsContact CE1-O 3.25Å; F463-A465 WeakPolarHBondContact CE1-O 3.23Å; F463-A465 HydrophobicContact CZ-CB 4.04Å; A465-Y468 HydrophobicContact CB-CD2 4.33Å; A465-N474 PolarHBondContact O-ND2 2.97Å
466	P	96.8	Very high	94.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	152.5	176.5	33.1	-38.3	0	0	0	110.9	Q263 D266 S464 Y468 Y493 A495	Q263-P466 PolarHBondContact NE2-O 3.09Å; D266-P466 HydrophobicContact CB-CG 3.87Å; D266-P466 VanDerWaalsContact OD1-CG 3.23Å; D266-P466 WeakPolarHBondContact OD1-CG 3.36Å; S464-P466 WeakPolarHBondContact O-CD 3.41Å; P466-Y468 PolarHBondContact O-N 3.3Å; P466-Y493 HydrophobicContact CB-CE2 4.45Å; P466-Y493 HydrophobicContact CG-CD2 4.22Å; P466-Y493 HydrophobicContact CG-CE2 3.87Å; P466-A495 HydrophobicContact CB-CB 3.82Å; P466-A495 HydrophobicContact CG-CB 3.79Å
467	N	93.1	Very high	94.3	Very high	50 Å²	50	23.9 Å²	23.9	27%	0.267	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	51.7	-176.4	-170.8	35.7	0	0	0	112.4	C469 D470 T471 G473 N474 A495	N467-C469 PolarHBondContact O-N 3.08Å; N467-D470 WeakPolarHBondContact ND2-CA 3.44Å; N467-D470 PolarHBondContact ND2-O 3.23Å; N467-D470 VanDerWaalsContact ND2-O 3.16Å; N467-D470 WeakPolarHBondContact O-CA 3.43Å; N467-D470 PolarHBondContact O-N 2.72Å; N467-T471 PolarHBondContact OD1-N 3.28Å; N467-G473 WeakPolarHBondContact OD1-CA 3.46Å; N467-G473 PolarHBondContact OD1-N 3.46Å; N467-N474 PolarHBondContact N-O 3.08Å; N467-N474 PolarHBondContact N-OD1 2.73Å; N467-A495 HydrophobicContact CB-CB 3.69Å
468	Y	90.4	Very high	94.3	Very high	6 Å²	6	18.1 Å²	18.1	2%	0.024	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-50.3	135.1	-170.1	178.8	-131.5	0	0	0	112.1	H261 R292 V446 F463 A465 P466 D470 T471 M472 N474 I516	H261-Y468 HydrophobicContact CB-CD2 4.46Å; H261-Y468 HydrophobicContact CB-CE2 3.97Å; H261-Y468 AromaticContact CD2-CD2 3.96Å; H261-Y468 AromaticContact CD2-CE2 3.19Å; H261-Y468 WeakPolarHBondContact CD2-CE2 3.37Å; H261-Y468 AromaticContact CD2-CZ 3.71Å; H261-Y468 AromaticContact CG-CE2 3.67Å; H261-Y468 AromaticContact NE2-CE2 3.77Å; H261-Y468 AromaticContact NE2-CZ 3.78Å; H261-Y468 PolarHBondContact NE2-OH 2.96Å; R292-Y468 HydrophobicContact CB-CE2 3.85Å; R292-Y468 WeakPolarHBondContact CD-OH 3.32Å; R292-Y468 HydrophobicContact CG-CE2 3.85Å; R292-Y468 VanDerWaalsContact CG-OH 3.28Å; R292-Y468 WeakPolarHBondContact CG-OH 3.02Å; R292-Y468 PolarHBondContact NE-OH 2.79Å; R292-Y468 VanDerWaalsContact NE-OH 3.08Å; V446-Y468 HydrophobicContact CG2-CD1 3.54Å; V446-Y468 HydrophobicContact CG2-CE1 3.92Å; V446-Y468 HydrophobicContact CG2-CG 4.33Å; F463-Y468 HydrophobicContact CE1-CD2 4.29Å; F463-Y468 HydrophobicContact CE1-CG 4.08Å; F463-Y468 HydrophobicContact CZ-CD1 4.16Å; F463-Y468 HydrophobicContact CZ-CD2 4.01Å; F463-Y468 HydrophobicContact CZ-CE1 4.36Å; F463-Y468 HydrophobicContact CZ-CE2 4.26Å; F463-Y468 AromaticContact CZ-CG 3.95Å; F463-Y468 HydrophobicContact CZ-CG 3.95Å; A465-Y468 HydrophobicContact CB-CD2 4.33Å; P466-Y468 PolarHBondContact O-N 3.3Å; Y468-D470 PolarHBondContact O-N 3.46Å; Y468-T471 PolarHBondContact O-N 3.28Å; Y468-M472 HydrophobicContact CD1-CG 4.07Å; Y468-M472 WeakPolarHBondContact O-CB 3.09Å; Y468-M472 VanDerWaalsContact O-CG 3.29Å; Y468-M472 WeakPolarHBondContact O-CG 3.37Å; Y468-M472 PolarHBondContact O-N 2.84Å; Y468-N474 WeakPolarHBondContact CB-OD1 3.19Å; Y468-N474 PolarHBondContact N-OD1 2.81Å; Y468-I516 HydrophobicContact CD1-CD1 4.42Å; Y468-I516 HydrophobicContact CE1-CD1 3.99Å
469	C	84.2	Confident	94.3	Very high	5 Å²	5	16.2 Å²	16.2	3%	0.034	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	51.9	37.1	-172.5	-63.2	0	0	0	0	114	R292 N467 T471 M504 I516	R292-C469 VanDerWaalsContact CD-SG 3.56Å; N467-C469 PolarHBondContact O-N 3.08Å; C469-T471 WeakPolarHBondContact O-CB 3.49Å; C469-T471 WeakPolarHBondContact O-CG2 3.42Å; C469-T471 PolarHBondContact O-N 3.41Å; C469-T471 PolarHBondContact O-OG1 3.42Å; C469-M504 HydrophobicContact CB-CE 4.41Å; C469-I516 HydrophobicContact CB-CB 3.92Å; C469-I516 HydrophobicContact CB-CD1 4.07Å; C469-I516 HydrophobicContact CB-CG2 3.81Å; C469-I516 VanDerWaalsContact SG-CD1 3.55Å
470	D	85.3	Confident	94.3	Very high	57 Å²	57	17.3 Å²	17.3	31%	0.305	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	52.6	13.6	-176.4	-56.6	-3.3	0	0	0	115.4	N467 Y468 H498 P503	N467-D470 WeakPolarHBondContact ND2-CA 3.44Å; N467-D470 PolarHBondContact ND2-O 3.23Å; N467-D470 VanDerWaalsContact ND2-O 3.16Å; N467-D470 WeakPolarHBondContact O-CA 3.43Å; N467-D470 PolarHBondContact O-N 2.72Å; Y468-D470 PolarHBondContact O-N 3.46Å; D470-H498 IonicContact OD1-CE1 2.93Å; D470-H498 IonicContact OD1-NE2 2.81Å; D470-H498 PolarHBondContact OD1-NE2 3.38Å; D470-H498 IonicContact OD2-CE1 3.66Å; D470-H498 PolarHBondContact OD2-CE1 3.29Å; D470-H498 IonicContact OD2-NE2 3.47Å; D470-P503 HydrophobicContact CB-CG 3.69Å; D470-P503 VanDerWaalsContact OD2-CD 3.25Å; D470-P503 WeakPolarHBondContact OD2-CD 3.44Å; D470-P503 VanDerWaalsContact OD2-CG 3.24Å; D470-P503 WeakPolarHBondContact OD2-CG 3.42Å
471	T	82.1	Confident	94.3	Very high	44 Å²	44	17.3 Å²	17.3	27%	0.27	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142	-21.8	-164.1	49.9	0	0	0	0	115.8	K44 N467 Y468 C469 G473 I516	K44-T471 HydrophobicContact CD-CG2 3.55Å; N467-T471 PolarHBondContact OD1-N 3.28Å; Y468-T471 PolarHBondContact O-N 3.28Å; C469-T471 WeakPolarHBondContact O-CB 3.49Å; C469-T471 WeakPolarHBondContact O-CG2 3.42Å; C469-T471 PolarHBondContact O-N 3.41Å; C469-T471 PolarHBondContact O-OG1 3.42Å; T471-G473 PolarHBondContact O-N 3.18Å; T471-I516 VanDerWaalsContact OG1-CG2 3.25Å; T471-I516 WeakPolarHBondContact OG1-CG2 3.43Å
472	M	83	Confident	94.2	Very high	46 Å²	46	22.5 Å²	22.5	23%	0.227	13%	0.125	C	C	.	.	S	Bend	trans	-74.6	-21.9	-177.3	-68.8	-64.7	-168.4	0	0	113.9	Y46 Y468 N474 I516	Y46-M472 HydrophobicContact CD2-CE 4.44Å; Y468-M472 HydrophobicContact CD1-CG 4.07Å; Y468-M472 WeakPolarHBondContact O-CB 3.09Å; Y468-M472 VanDerWaalsContact O-CG 3.29Å; Y468-M472 WeakPolarHBondContact O-CG 3.37Å; Y468-M472 PolarHBondContact O-N 2.84Å; M472-N474 WeakPolarHBondContact CB-OD1 3.25Å; M472-N474 PolarHBondContact O-N 3.21Å; M472-N474 VanDerWaalsContact O-N 3.15Å; M472-I516 HydrophobicContact CE-CD1 3.74Å; M472-I516 HydrophobicContact CE-CG1 4.06Å; M472-I516 HydrophobicContact CE-CG2 3.96Å
473	G	89.1	Confident	94.1	Very high	62 Å²	62	23.2 Å²	23.2	64%	0.639	13%	0.133	S	C	*	.			trans	66.2	9.5	177.9	0	0	0	0	0	116	N467 T471	N467-G473 WeakPolarHBondContact OD1-CA 3.46Å; N467-G473 PolarHBondContact OD1-N 3.46Å; T471-G473 PolarHBondContact O-N 3.18Å
474	N	94	Very high	93.9	Very high	12 Å²	12	26.8 Å²	26.8	6%	0.064	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-69	161.9	172.6	67	-72.2	0	0	0	111.6	V446 A465 N467 Y468 M472	V446-N474 HydrophobicContact CG1-CB 3.85Å; A465-N474 PolarHBondContact O-ND2 2.97Å; N467-N474 PolarHBondContact N-O 3.08Å; N467-N474 PolarHBondContact N-OD1 2.73Å; Y468-N474 WeakPolarHBondContact CB-OD1 3.19Å; Y468-N474 PolarHBondContact N-OD1 2.81Å; M472-N474 WeakPolarHBondContact CB-OD1 3.25Å; M472-N474 PolarHBondContact O-N 3.21Å; M472-N474 VanDerWaalsContact O-N 3.15Å
475	K	97.9	Very high	93.7	Very high	54 Å²	54	30.4 Å²	30.4	24%	0.235	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-86.1	160.8	163.6	-65.9	174.5	-169.2	146.2	0	110.6	P448 E449 G450 Y493 E494	P448-K475 PolarHBondContact O-N 3.45Å; E449-K475 IonicContact OE1-NZ 2.69Å; E449-K475 PolarHBondContact OE1-NZ 3.16Å; E449-K475 WeakPolarHBondContact OE2-CD 3.45Å; E449-K475 IonicContact OE2-NZ 2.78Å; E449-K475 PolarHBondContact OE2-NZ 3.44Å; G450-K475 WeakPolarHBondContact CA-O 3.4Å; G450-K475 PolarHBondContact N-O 3.21Å; K475-Y493 WeakPolarHBondContact CA-O 3.31Å; K475-Y493 WeakPolarHBondContact CB-O 3.42Å; K475-E494 HydrophobicContact CG-CG 4.38Å
476	G	98.4	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.8	165.3	0	0	0	0	0	109.4	F463 T492 Y493	F463-G476 CarbonylContact O-C 3.58Å; F463-G476 WeakPolarHBondContact O-CA 3.27Å; G476-T492 CarbonylContact O-C 3.57Å; G476-T492 WeakPolarHBondContact O-CA 3.41Å; G476-Y493 PolarHBondContact N-O 2.87Å; G476-Y493 WeakPolarHBondContact O-CD1 3.47Å; G476-Y493 PolarHBondContact O-N 2.62Å
477	A	98.8	Very high	93.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159	171.8	0	0	0	0	0	112.7	G450 Y451 V462 F463 S464 T491 T492	G450-A477 WeakPolarHBondContact O-CB 3.24Å; Y451-A477 HydrophobicContact CD1-CB 4.15Å; V462-A477 WeakPolarHBondContact CG2-O 3.28Å; F463-A477 PolarHBondContact O-N 2.79Å; S464-A477 PolarHBondContact OG-O 2.84Å; A477-T491 WeakPolarHBondContact CA-O 3.45Å; A477-T491 WeakPolarHBondContact CB-O 3.29Å; A477-T492 HydrophobicContact CB-CG2 4.26Å
478	F	98.8	Very high	94	Very high	2 Å²	2	34 Å²	34	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.4	164.1	57.8	-97.6	0	0	0	110.5	T255 I270 L273 N274 V480 T491 Y493	T255-F478 HydrophobicContact CG2-CB 4.18Å; T255-F478 HydrophobicContact CG2-CD2 3.89Å; T255-F478 HydrophobicContact CG2-CG 4.27Å; I270-F478 HydrophobicContact CG1-CD1 4.27Å; I270-F478 HydrophobicContact CG2-CD1 3.88Å; I270-F478 HydrophobicContact CG2-CE1 4.25Å; I270-F478 HydrophobicContact CG2-CG 4.47Å; L273-F478 HydrophobicContact CB-CE1 4.2Å; L273-F478 HydrophobicContact CB-CZ 4.25Å; L273-F478 HydrophobicContact CD1-CE1 4.44Å; N274-F478 HydrophobicContact CB-CE1 4.32Å; N274-F478 HydrophobicContact CB-CE2 3.69Å; N274-F478 HydrophobicContact CB-CZ 3.58Å; N274-F478 WeakPolarHBondContact ND2-CE2 3.42Å; F478-V480 HydrophobicContact CD2-CG2 3.92Å; F478-V480 HydrophobicContact CE2-CG2 3.88Å; F478-T491 HydrophobicContact CE1-CG2 4.02Å; F478-T491 VanDerWaalsContact CE2-CB 3.49Å; F478-T491 HydrophobicContact CE2-CG2 4.08Å; F478-T491 VanDerWaalsContact CZ-CB 3.43Å; F478-T491 HydrophobicContact CZ-CG2 3.5Å; F478-T491 PolarHBondContact N-O 3.37Å; F478-T491 VanDerWaalsContact N-O 3.12Å; F478-T491 PolarHBondContact O-N 3.15Å; F478-Y493 HydrophobicContact CD1-CD1 4.23Å; F478-Y493 AromaticContact CD1-CE1 3.74Å; F478-Y493 HydrophobicContact CD1-CE1 3.74Å; F478-Y493 HydrophobicContact CE1-CD1 4.17Å; F478-Y493 HydrophobicContact CE1-CE1 4.11Å
479	I	98.8	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.2	177.4	-53.2	172.7	0	0	0	108.7	T255 I256 I441 V460 V462 I481 P488 K489 F490	T255-I479 CarbonylContact C-O 3.57Å; T255-I479 VanDerWaalsContact CA-O 3.27Å; T255-I479 WeakPolarHBondContact CA-O 3.48Å; T255-I479 WeakPolarHBondContact CG2-O 3.25Å; I256-I479 HydrophobicContact CB-CB 4.28Å; I256-I479 HydrophobicContact CD1-CB 4.31Å; I256-I479 HydrophobicContact CD1-CG2 4.3Å; I256-I479 PolarHBondContact N-O 3.35Å; I256-I479 PolarHBondContact O-N 2.94Å; I441-I479 HydrophobicContact CD1-CD1 3.97Å; I441-I479 HydrophobicContact CG1-CD1 4.27Å; I441-I479 HydrophobicContact CG2-CD1 3.69Å; V460-I479 HydrophobicContact CG1-CD1 3.7Å; V462-I479 HydrophobicContact CB-CD1 3.9Å; V462-I479 HydrophobicContact CB-CG1 4.05Å; V462-I479 HydrophobicContact CG1-CD1 3.83Å; V462-I479 HydrophobicContact CG1-CG1 4.31Å; V462-I479 HydrophobicContact CG2-CD1 4.47Å; V462-I479 HydrophobicContact CG2-CG1 4.09Å; I479-I481 HydrophobicContact CG2-CG2 4.11Å; I479-P488 HydrophobicContact CG2-CB 3.61Å; I479-K489 CarbonylContact C-O 3.06Å; I479-K489 WeakPolarHBondContact CA-O 3.47Å; I479-F490 HydrophobicContact CD1-CE1 4.05Å; I479-F490 HydrophobicContact CG1-CD1 3.87Å; I479-F490 HydrophobicContact CG1-CE1 3.77Å
480	V	98.5	Very high	95	Very high	22 Å²	22	42.2 Å²	42.2	13%	0.133	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.1	164.5	-177.3	0	0	0	0	108.8	K253 F254 T255 F478 K489	K253-V480 HydrophobicContact CB-CG1 3.94Å; K253-V480 HydrophobicContact CD-CG1 4.2Å; F254-V480 WeakPolarHBondContact O-CA 3.39Å; T255-V480 HydrophobicContact CG2-CG2 4.47Å; F478-V480 HydrophobicContact CD2-CG2 3.92Å; F478-V480 HydrophobicContact CE2-CG2 3.88Å; V480-K489 PolarHBondContact N-O 3.32Å; V480-K489 WeakPolarHBondContact O-CB 3.41Å; V480-K489 PolarHBondContact O-N 3.36Å
481	I	98.5	Very high	95.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	167.2	168.4	57.9	172.2	0	0	0	110	K253 F254 I256 I361 I365 I479 L486 P488	K253-I481 WeakPolarHBondContact CA-O 3.4Å; F254-I481 HydrophobicContact CB-CD1 4.31Å; F254-I481 HydrophobicContact CB-CG1 3.93Å; F254-I481 HydrophobicContact CD1-CD1 4.38Å; F254-I481 HydrophobicContact CD1-CG1 4.5Å; F254-I481 PolarHBondContact N-O 3.18Å; F254-I481 WeakPolarHBondContact O-CG1 3.43Å; F254-I481 PolarHBondContact O-N 3.08Å; I256-I481 HydrophobicContact CD1-CD1 3.98Å; I256-I481 HydrophobicContact CD1-CG1 3.94Å; I256-I481 HydrophobicContact CD1-CG2 4.4Å; I361-I481 HydrophobicContact CD1-CD1 4.01Å; I361-I481 HydrophobicContact CG2-CD1 3.85Å; I365-I481 HydrophobicContact CD1-CD1 4.01Å; I479-I481 HydrophobicContact CG2-CG2 4.11Å; I481-L486 HydrophobicContact CD1-CD2 4.31Å; I481-P488 HydrophobicContact CG2-CB 4.41Å
482	R	97.7	Very high	96.5	Very high	109 Å²	109	42.9 Å²	42.9	41%	0.411	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	145.4	169.6	-69.6	-178.4	174.4	-89	0.9	110.9	N251 E252 K253 D484 N485 L486	N251-R482 PolarHBondContact O-NH1 3.13Å; E252-R482 VanDerWaalsContact O-CA 3.25Å; E252-R482 WeakPolarHBondContact O-CA 3.19Å; E252-R482 WeakPolarHBondContact O-CB 3.19Å; K253-R482 HydrophobicContact CB-CG 4.21Å; R482-D484 WeakPolarHBondContact CB-OD1 3.32Å; R482-D484 PolarHBondContact O-N 2.93Å; R482-N485 PolarHBondContact O-N 2.85Å; R482-L486 WeakPolarHBondContact O-CA 3.13Å; R482-L486 PolarHBondContact O-N 3.46Å
483	G	96.9	Very high	97.2	Very high	16 Å²	16	41.3 Å²	41.3	17%	0.165	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-0.4	-174.4	0	0	0	0	0	115.8	V248 A249 E252	V248-G483 WeakPolarHBondContact O-CA 3.28Å; A249-G483 WeakPolarHBondContact O-CA 3.37Å; E252-G483 PolarHBondContact O-N 3.44Å
484	D	93.5	Very high	97.6	Very high	77 Å²	77	45.1 Å²	45.1	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-32	176.3	66.7	-50.1	0	0	0	113.7	K250 R482	K250-D484 HydrophobicContact CG-CB 4.02Å; R482-D484 WeakPolarHBondContact CB-OD1 3.32Å; R482-D484 PolarHBondContact O-N 2.93Å
485	N	94.4	Very high	97.8	Very high	76 Å²	76	46.6 Å²	46.6	41%	0.406	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-11.4	-174.9	61.2	56.4	0	0	0	114.6	R482 T487	R482-N485 PolarHBondContact O-N 2.85Å; N485-T487 PolarHBondContact O-N 3.27Å; N485-T487 PolarHBondContact O-OG1 2.93Å; N485-T487 WeakPolarHBondContact OD1-CB 3.43Å; N485-T487 PolarHBondContact OD1-N 3.44Å; N485-T487 PolarHBondContact OD1-OG1 3.21Å
486	L	97.2	Very high	97.7	Very high	17 Å²	17	46.2 Å²	46.2	9%	0.089	25%	0.246	C	C	.	.			trans	51.1	20.5	-179.3	-60.3	177	0	0	0	114.7	N362 R364 I365 Y439 I481 R482	N362-L486 HydrophobicContact CB-CD1 3.81Å; N362-L486 HydrophobicContact CB-CD2 4.31Å; R364-L486 HydrophobicContact CB-CD1 3.77Å; R364-L486 HydrophobicContact CG-CD1 4.13Å; I365-L486 HydrophobicContact CD1-CB 4.08Å; I365-L486 HydrophobicContact CD1-CD2 4.43Å; Y439-L486 WeakPolarHBondContact CE1-O 3.45Å; Y439-L486 PolarHBondContact OH-O 3.2Å; I481-L486 HydrophobicContact CD1-CD2 4.31Å; R482-L486 WeakPolarHBondContact O-CA 3.13Å; R482-L486 PolarHBondContact O-N 3.46Å
487	T	97.8	Very high	97.5	Very high	77 Å²	77	55.4 Å²	55.4	47%	0.472	29%	0.289	S	S	.	.			trans	-81	128.1	-178.4	-54.9	0	0	0	0	109.9	N485 K489	N485-T487 PolarHBondContact O-N 3.27Å; N485-T487 PolarHBondContact O-OG1 2.93Å; N485-T487 WeakPolarHBondContact OD1-CB 3.43Å; N485-T487 PolarHBondContact OD1-N 3.44Å; N485-T487 PolarHBondContact OD1-OG1 3.21Å; T487-K489 PolarHBondContact O-N 3.2Å
488	P	98.1	Very high	97.2	Very high	31 Å²	31	58.1 Å²	58.1	20%	0.201	30%	0.301	C	S	.	.			trans	-72	129.4	-177.6	29.1	-32.6	0	0	0	111.1	Y439 I479 I481 F490	Y439-P488 HydrophobicContact CE2-CG 4.34Å; Y439-P488 WeakPolarHBondContact OH-CD 3.3Å; I479-P488 HydrophobicContact CG2-CB 3.61Å; I481-P488 HydrophobicContact CG2-CB 4.41Å; P488-F490 HydrophobicContact CB-CE1 4.35Å; P488-F490 HydrophobicContact CB-CE2 4.22Å; P488-F490 HydrophobicContact CB-CZ 3.8Å; P488-F490 HydrophobicContact CG-CE2 4.32Å; P488-F490 HydrophobicContact CG-CZ 4.03Å
489	K	98.2	Very high	96.9	Very high	135 Å²	135	59.1 Å²	59.1	59%	0.587	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.5	169.5	-61.8	-170.6	178.2	-171	0	109.9	I479 V480 T487	I479-K489 CarbonylContact C-O 3.06Å; I479-K489 WeakPolarHBondContact CA-O 3.47Å; V480-K489 PolarHBondContact N-O 3.32Å; V480-K489 WeakPolarHBondContact O-CB 3.41Å; V480-K489 PolarHBondContact O-N 3.36Å; T487-K489 PolarHBondContact O-N 3.2Å
490	F	98.6	Very high	96.3	Very high	49 Å²	49	69.5 Å²	69.5	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.9	-175.5	-52.2	-82.3	0	0	0	110.7	Y451 V453 V460 I479 P488	Y451-F490 HydrophobicContact CD1-CB 3.76Å; Y451-F490 HydrophobicContact CD1-CD1 4.1Å; Y451-F490 AromaticContact CD1-CG 3.99Å; Y451-F490 HydrophobicContact CD1-CG 3.99Å; Y451-F490 HydrophobicContact CD2-CB 4.1Å; Y451-F490 AromaticContact CD2-CD1 3.31Å; Y451-F490 HydrophobicContact CD2-CD1 3.31Å; Y451-F490 AromaticContact CD2-CD2 3.72Å; Y451-F490 HydrophobicContact CD2-CD2 3.72Å; Y451-F490 AromaticContact CD2-CE1 3.55Å; Y451-F490 HydrophobicContact CD2-CE1 3.55Å; Y451-F490 AromaticContact CD2-CE2 3.96Å; Y451-F490 HydrophobicContact CD2-CE2 3.96Å; Y451-F490 AromaticContact CD2-CG 3.4Å; Y451-F490 HydrophobicContact CD2-CG 3.4Å; Y451-F490 AromaticContact CD2-CZ 3.88Å; Y451-F490 HydrophobicContact CD2-CZ 3.88Å; Y451-F490 HydrophobicContact CE1-CB 3.65Å; Y451-F490 HydrophobicContact CE1-CG 4.03Å; Y451-F490 HydrophobicContact CE2-CB 4Å; Y451-F490 AromaticContact CE2-CD1 3.9Å; Y451-F490 HydrophobicContact CE2-CD1 3.9Å; Y451-F490 AromaticContact CE2-CD2 3.4Å; Y451-F490 HydrophobicContact CE2-CD2 3.4Å; Y451-F490 HydrophobicContact CE2-CE1 4.24Å; Y451-F490 AromaticContact CE2-CE2 3.81Å; Y451-F490 HydrophobicContact CE2-CE2 3.81Å; Y451-F490 AromaticContact CE2-CG 3.46Å; Y451-F490 HydrophobicContact CE2-CG 3.46Å; Y451-F490 VanDerWaalsContact CE2-CG 3.46Å; Y451-F490 HydrophobicContact CE2-CZ 4.21Å; Y451-F490 HydrophobicContact CG-CB 3.98Å; Y451-F490 AromaticContact CG-CD1 3.42Å; Y451-F490 HydrophobicContact CG-CD1 3.42Å; Y451-F490 VanDerWaalsContact CG-CD1 3.42Å; Y451-F490 HydrophobicContact CG-CD2 4.43Å; Y451-F490 HydrophobicContact CG-CE1 4.01Å; Y451-F490 AromaticContact CG-CG 3.67Å; Y451-F490 HydrophobicContact CG-CG 3.67Å; Y451-F490 AromaticContact CZ-CD2 3.88Å; Y451-F490 AromaticContact CZ-CG 3.78Å; V453-F490 HydrophobicContact CG2-CE1 4.33Å; V453-F490 HydrophobicContact CG2-CE2 3.76Å; V453-F490 HydrophobicContact CG2-CZ 3.43Å; V453-F490 VanDerWaalsContact CG2-CZ 3.43Å; V460-F490 HydrophobicContact CG1-CE1 3.53Å; V460-F490 HydrophobicContact CG1-CZ 3.72Å; I479-F490 HydrophobicContact CD1-CE1 4.05Å; I479-F490 HydrophobicContact CG1-CD1 3.87Å; I479-F490 HydrophobicContact CG1-CE1 3.77Å; P488-F490 HydrophobicContact CB-CE1 4.35Å; P488-F490 HydrophobicContact CB-CE2 4.22Å; P488-F490 HydrophobicContact CB-CZ 3.8Å; P488-F490 HydrophobicContact CG-CE2 4.32Å; P488-F490 HydrophobicContact CG-CZ 4.03Å
491	T	98.7	Very high	95.7	Very high	58 Å²	58	70.3 Å²	70.3	36%	0.356	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	115.7	168	-56.9	0	0	0	0	108.6	A477 F478	A477-T491 WeakPolarHBondContact CA-O 3.45Å; A477-T491 WeakPolarHBondContact CB-O 3.29Å; F478-T491 HydrophobicContact CE1-CG2 4.02Å; F478-T491 VanDerWaalsContact CE2-CB 3.49Å; F478-T491 HydrophobicContact CE2-CG2 4.08Å; F478-T491 VanDerWaalsContact CZ-CB 3.43Å; F478-T491 HydrophobicContact CZ-CG2 3.5Å; F478-T491 PolarHBondContact N-O 3.37Å; F478-T491 VanDerWaalsContact N-O 3.12Å; F478-T491 PolarHBondContact O-N 3.15Å
492	T	98.6	Very high	94.8	Very high	57 Å²	57	75 Å²	75	35%	0.35	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.8	-178.4	62	0	0	0	0	111.1	E449 Y451 G476 A477	E449-T492 HydrophobicContact CB-CG2 4.43Å; E449-T492 WeakPolarHBondContact O-CG2 3.4Å; Y451-T492 HydrophobicContact CD1-CG2 3.85Å; Y451-T492 HydrophobicContact CE1-CG2 3.63Å; G476-T492 CarbonylContact O-C 3.57Å; G476-T492 WeakPolarHBondContact O-CA 3.41Å; A477-T492 HydrophobicContact CB-CG2 4.26Å
493	Y	98.6	Very high	93.7	Very high	13 Å²	13	71.4 Å²	71.4	5%	0.051	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.6	177	55.3	-84.7	0	0	0	112.2	I270 L273 S464 P466 K475 G476 F478	I270-Y493 VanDerWaalsContact CD1-OH 3.28Å; I270-Y493 WeakPolarHBondContact CD1-OH 3.17Å; I270-Y493 HydrophobicContact CG1-CE1 4Å; I270-Y493 HydrophobicContact CG1-CE2 4.28Å; I270-Y493 VanDerWaalsContact CG1-OH 3.24Å; I270-Y493 WeakPolarHBondContact CG1-OH 3.35Å; L273-Y493 HydrophobicContact CD1-CD1 3.97Å; L273-Y493 HydrophobicContact CD1-CG 3.81Å; S464-Y493 WeakPolarHBondContact CA-OH 3.47Å; S464-Y493 WeakPolarHBondContact CB-OH 3.43Å; S464-Y493 PolarHBondContact O-OH 3.31Å; P466-Y493 HydrophobicContact CB-CE2 4.45Å; P466-Y493 HydrophobicContact CG-CD2 4.22Å; P466-Y493 HydrophobicContact CG-CE2 3.87Å; K475-Y493 WeakPolarHBondContact CA-O 3.31Å; K475-Y493 WeakPolarHBondContact CB-O 3.42Å; G476-Y493 PolarHBondContact N-O 2.87Å; G476-Y493 WeakPolarHBondContact O-CD1 3.47Å; G476-Y493 PolarHBondContact O-N 2.62Å; F478-Y493 HydrophobicContact CD1-CD1 4.23Å; F478-Y493 AromaticContact CD1-CE1 3.74Å; F478-Y493 HydrophobicContact CD1-CE1 3.74Å; F478-Y493 HydrophobicContact CE1-CD1 4.17Å; F478-Y493 HydrophobicContact CE1-CE1 4.11Å
494	E	98.1	Very high	92.9	Very high	143 Å²	143	71.2 Å²	71.2	67%	0.668	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-86.2	161.5	174.5	-65.2	176.6	-177.3	0	0	110.8	K475	K475-E494 HydrophobicContact CG-CG 4.38Å
495	A	96.6	Very high	92.3	Very high	43 Å²	43	69.8 Å²	69.8	36%	0.355	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-66.8	143.8	178.7	0	0	0	0	0	111.2	D266 P466 N467	D266-A495 WeakPolarHBondContact OD1-CA 3.35Å; P466-A495 HydrophobicContact CB-CB 3.82Å; P466-A495 HydrophobicContact CG-CB 3.79Å; N467-A495 HydrophobicContact CB-CB 3.69Å
496	V	96.1	Very high	91.8	Very high	46 Å²	46	69.6 Å²	69.6	28%	0.279	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-96.6	157.5	173.7	-60.2	0	0	0	0	111.9	Y265 D266 N269	Y265-V496 WeakPolarHBondContact O-CG2 3.4Å; D266-V496 PolarHBondContact OD1-N 3.08Å; N269-V496 HydrophobicContact CB-CG1 3.85Å; N269-V496 HydrophobicContact CB-CG2 4.41Å; N269-V496 VanDerWaalsContact CG-CG1 3.5Å; N269-V496 WeakPolarHBondContact ND2-CG1 3.47Å
497	E	94.5	Very high	91	Very high	193 Å²	193	69.2 Å²	69.2	90%	0.902	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-62.4	138.6	172.1	-65.2	-168.7	156.7	0	0	111.3
498	H	92.7	Very high	89.8	Confident	56 Å²	56	68.3 Å²	68.3	26%	0.259	36%	0.357	S	S	.	.			trans	-133.7	165.3	174.2	58.5	83.1	0	0	0	110.2	Y265 F295 D470	Y265-H498 HydrophobicContact CD1-CB 4.45Å; Y265-H498 HydrophobicContact CD2-CB 3.46Å; Y265-H498 VanDerWaalsContact CD2-CB 3.46Å; Y265-H498 HydrophobicContact CE2-CB 4.08Å; Y265-H498 HydrophobicContact CG-CB 3.7Å; F295-H498 HydrophobicContact CE2-CB 4.08Å; F295-H498 AromaticContact CE2-ND1 3.78Å; F295-H498 HydrophobicContact CZ-CB 4.42Å; D470-H498 IonicContact OD1-CE1 2.93Å; D470-H498 IonicContact OD1-NE2 2.81Å; D470-H498 PolarHBondContact OD1-NE2 3.38Å; D470-H498 IonicContact OD2-CE1 3.66Å; D470-H498 PolarHBondContact OD2-CE1 3.29Å; D470-H498 IonicContact OD2-NE2 3.47Å
499	P	92.2	Very high	88.7	Confident	24 Å²	24	75.3 Å²	75.3	16%	0.156	38%	0.384	C	S	.	.			trans	-55	149	173.8	-25.9	35.1	0	0	0	112.5	E203 Y265 F295 V501	E203-P499 VanDerWaalsContact CD-CB 3.49Å; E203-P499 VanDerWaalsContact CD-CG 3.47Å; E203-P499 HydrophobicContact CG-CB 4.29Å; E203-P499 HydrophobicContact CG-CG 3.77Å; E203-P499 WeakPolarHBondContact OE2-CB 3.45Å; Y265-P499 HydrophobicContact CE2-CG 4.12Å; Y265-P499 WeakPolarHBondContact OH-CD 3.48Å; Y265-P499 WeakPolarHBondContact OH-CG 3.43Å; F295-P499 HydrophobicContact CE1-CG 4.49Å; F295-P499 HydrophobicContact CZ-CB 4.26Å; F295-P499 HydrophobicContact CZ-CG 4.4Å; P499-V501 PolarHBondContact O-N 2.99Å
500	K	87.6	Confident	87.4	Confident	217 Å²	217	69.7 Å²	69.7	94%	0.943	36%	0.362	S	S	*	.	S	Bend	trans	-78.3	62.3	-169.7	-62.3	-171.2	177.7	-177.2	0	112.9
501	V	84.3	Confident	85.9	Confident	39 Å²	39	67.5 Å²	67.5	24%	0.236	35%	0.352	C	S	.	.			trans	-107.1	109.6	173.4	-170.4	0	0	0	0	108.4	S294 F295 P499 A505	S294-V501 PolarHBondContact OG-O 3.19Å; S294-V501 VanDerWaalsContact OG-O 3.06Å; F295-V501 HydrophobicContact CE1-CG2 4.28Å; F295-V501 HydrophobicContact CZ-CB 4.25Å; F295-V501 HydrophobicContact CZ-CG2 4.24Å; P499-V501 PolarHBondContact O-N 2.99Å; V501-A505 HydrophobicContact CG1-CB 3.82Å
502	T	79.8	Confident	84.4	Confident	100 Å²	100	67 Å²	67	61%	0.613	35%	0.35	S	S	*	.			trans	-54	141.6	-176.4	52.7	0	0	0	0	112.4	S294 A505	S294-T502 PolarHBondContact OG-O 2.89Å; T502-A505 VanDerWaalsContact O-CB 3.28Å; T502-A505 WeakPolarHBondContact O-CB 3.36Å; T502-A505 PolarHBondContact O-N 3.44Å
503	P	75.5	Confident	82.5	Confident	33 Å²	33	64.8 Å²	64.8	21%	0.214	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	145.6	175.8	-29.1	36	0	0	0	112.5	D470 A505	D470-P503 HydrophobicContact CB-CG 3.69Å; D470-P503 VanDerWaalsContact OD2-CD 3.25Å; D470-P503 WeakPolarHBondContact OD2-CD 3.44Å; D470-P503 VanDerWaalsContact OD2-CG 3.24Å; D470-P503 WeakPolarHBondContact OD2-CG 3.42Å; P503-A505 PolarHBondContact O-N 2.96Å; P503-A505 VanDerWaalsContact O-N 3.14Å
504	M	80.5	Confident	80.6	Confident	11 Å²	11	64.2 Å²	64.2	5%	0.054	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	27.9	180	-62.4	160.8	-75.1	0	0	113.3	R292 C469 Y506 A507 Q515 I516	R292-M504 WeakPolarHBondContact O-CG 3.41Å; R292-M504 PolarHBondContact O-N 3.27Å; C469-M504 HydrophobicContact CB-CE 4.41Å; M504-Y506 PolarHBondContact O-N 3.2Å; M504-A507 HydrophobicContact CB-CB 3.8Å; M504-A507 VanDerWaalsContact O-CB 3.3Å; M504-A507 WeakPolarHBondContact O-CB 3.39Å; M504-A507 PolarHBondContact O-N 2.97Å; M504-Q515 HydrophobicContact CB-CG 4.42Å; M504-Q515 HydrophobicContact CE-CB 3.89Å; M504-Q515 HydrophobicContact CE-CG 4.47Å; M504-Q515 HydrophobicContact SD-CB 3.65Å; M504-Q515 HydrophobicContact SD-CG 3.63Å; M504-I516 HydrophobicContact CE-CB 4.35Å
505	A	80.5	Confident	78.7	Confident	48 Å²	48	59 Å²	59	40%	0.397	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-30.2	-178.5	0	0	0	0	0	114.6	V501 T502 P503	V501-A505 HydrophobicContact CG1-CB 3.82Å; T502-A505 VanDerWaalsContact O-CB 3.28Å; T502-A505 WeakPolarHBondContact O-CB 3.36Å; T502-A505 PolarHBondContact O-N 3.44Å; P503-A505 PolarHBondContact O-N 2.96Å; P503-A505 VanDerWaalsContact O-N 3.14Å
506	Y	83.9	Confident	76.6	Confident	71 Å²	71	57.5 Å²	57.5	28%	0.278	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.5	-178.1	-54.4	-78.3	0	0	0	114	E335 K339 M504	E335-Y506 HydrophobicContact CB-CD1 4.45Å; E335-Y506 HydrophobicContact CB-CD2 3.58Å; E335-Y506 HydrophobicContact CB-CE2 4.21Å; E335-Y506 HydrophobicContact CB-CG 3.72Å; E335-Y506 HydrophobicContact CG-CD2 3.57Å; E335-Y506 HydrophobicContact CG-CE2 3.68Å; E335-Y506 HydrophobicContact CG-CG 4.11Å; E335-Y506 VanDerWaalsContact N-CB 3.34Å; K339-Y506 WeakPolarHBondContact CE-OH 3.3Å; M504-Y506 PolarHBondContact O-N 3.2Å
507	A	79.9	Confident	75.6	Confident	9 Å²	9	58.1 Å²	58.1	7%	0.074	30%	0.299	C	S	.	.	S	Bend	trans	-68.1	142.1	179.2	0	0	0	0	0	111.3	M504 K509	M504-A507 HydrophobicContact CB-CB 3.8Å; M504-A507 VanDerWaalsContact O-CB 3.3Å; M504-A507 WeakPolarHBondContact O-CB 3.39Å; M504-A507 PolarHBondContact O-N 2.97Å; A507-K509 PolarHBondContact O-N 3.33Å; A507-K509 VanDerWaalsContact O-N 3.13Å
508	N	74	Confident	74.6	Confident	59 Å²	59	51 Å²	51	32%	0.316	27%	0.267	S	S	.	.			trans	-62.8	120.5	-178.2	171.4	-0.4	0	0	0	109.6	E140 V510 F511	E140-N508 PolarHBondContact OE1-ND2 3.44Å; N508-V510 PolarHBondContact O-N 3.45Å; N508-V510 WeakPolarHBondContact OD1-CB 3.44Å; N508-V510 WeakPolarHBondContact OD1-CG2 3.34Å; N508-V510 PolarHBondContact OD1-N 3.21Å; N508-V510 VanDerWaalsContact OD1-N 3.14Å; N508-F511 HydrophobicContact CB-CD2 3.78Å; N508-F511 HydrophobicContact CB-CE2 4Å; N508-F511 PolarHBondContact O-N 2.62Å
509	K	73.6	Confident	73.6	Confident	177 Å²	177	50.7 Å²	50.7	77%	0.77	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-54.7	-23.1	-173.7	-63.8	-174.2	177.2	-178.5	0	114	A507 F511 S512	A507-K509 PolarHBondContact O-N 3.33Å; A507-K509 VanDerWaalsContact O-N 3.13Å; K509-F511 PolarHBondContact O-N 3.4Å; K509-S512 WeakPolarHBondContact O-CB 3.38Å; K509-S512 PolarHBondContact O-N 2.95Å; K509-S512 VanDerWaalsContact O-N 3.12Å; K509-S512 PolarHBondContact O-OG 3.49Å
510	V	70.8	Confident	72.5	Confident	18 Å²	18	52.3 Å²	52.3	11%	0.109	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-58.7	-34.5	173.6	-178.5	0	0	0	0	111.8	M109 Q136 K137 E140 N508 S512	M109-V510 HydrophobicContact CE-CG1 3.69Å; Q136-V510 HydrophobicContact CB-CG2 4.32Å; K137-V510 HydrophobicContact CB-CG1 4.16Å; K137-V510 WeakPolarHBondContact CE-O 3.43Å; K137-V510 HydrophobicContact CG-CG1 3.64Å; K137-V510 WeakPolarHBondContact CG-O 3.14Å; K137-V510 PolarHBondContact NZ-O 3.05Å; E140-V510 HydrophobicContact CB-CG1 3.77Å; E140-V510 HydrophobicContact CG-CB 4.48Å; E140-V510 HydrophobicContact CG-CG1 4.03Å; N508-V510 PolarHBondContact O-N 3.45Å; N508-V510 WeakPolarHBondContact OD1-CB 3.44Å; N508-V510 WeakPolarHBondContact OD1-CG2 3.34Å; N508-V510 PolarHBondContact OD1-N 3.21Å; N508-V510 VanDerWaalsContact OD1-N 3.14Å; V510-S512 VanDerWaalsContact C-N 3.33Å; V510-S512 PolarHBondContact O-N 3.11Å
511	F	68.5	Low	71.5	Confident	3 Å²	3	42 Å²	42	1%	0.013	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-86	6.8	178.1	-55.4	-82.6	0	0	0	114.1	M109 E140 L144 M329 N508 K509 A513 M514	M109-F511 HydrophobicContact CE-CD1 3.98Å; M109-F511 HydrophobicContact CE-CE1 3.51Å; M109-F511 HydrophobicContact CE-CZ 3.99Å; M109-F511 HydrophobicContact CG-CD1 4.49Å; M109-F511 HydrophobicContact CG-CE1 4.13Å; M109-F511 HydrophobicContact SD-CE1 4.39Å; E140-F511 HydrophobicContact CG-CE2 4.43Å; E140-F511 HydrophobicContact CG-CZ 4.13Å; L144-F511 HydrophobicContact CD1-CZ 4.02Å; M329-F511 HydrophobicContact CE-CD1 4.06Å; M329-F511 HydrophobicContact CE-CE1 3.85Å; M329-F511 HydrophobicContact CG-CB 4.07Å; M329-F511 HydrophobicContact CG-CD1 3.69Å; M329-F511 HydrophobicContact CG-CD2 4.5Å; M329-F511 HydrophobicContact CG-CE1 4.22Å; M329-F511 HydrophobicContact CG-CG 3.85Å; M329-F511 HydrophobicContact SD-CD1 4.29Å; N508-F511 HydrophobicContact CB-CD2 3.78Å; N508-F511 HydrophobicContact CB-CE2 4Å; N508-F511 PolarHBondContact O-N 2.62Å; K509-F511 PolarHBondContact O-N 3.4Å; F511-A513 PolarHBondContact O-N 2.97Å; F511-M514 HydrophobicContact CB-SD 4.27Å; F511-M514 HydrophobicContact CD1-CE 3.81Å; F511-M514 HydrophobicContact CD1-SD 3.77Å; F511-M514 WeakPolarHBondContact O-CA 3.42Å; F511-M514 WeakPolarHBondContact O-CB 3.48Å; F511-M514 PolarHBondContact O-N 3.44Å
512	S	66.6	Low	70.7	Confident	46 Å²	46	42.2 Å²	42.2	32%	0.322	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-54.7	-23.5	-179.3	54	0	0	0	0	115.8	R76 K509 V510 M514 Q515	R76-S512 PolarHBondContact NH1-O 3.32Å; R76-S512 VanDerWaalsContact NH1-O 3.09Å; K509-S512 WeakPolarHBondContact O-CB 3.38Å; K509-S512 PolarHBondContact O-N 2.95Å; K509-S512 VanDerWaalsContact O-N 3.12Å; K509-S512 PolarHBondContact O-OG 3.49Å; V510-S512 VanDerWaalsContact C-N 3.33Å; V510-S512 PolarHBondContact O-N 3.11Å; S512-M514 PolarHBondContact O-N 3.05Å; S512-Q515 PolarHBondContact O-N 3.05Å
513	A	58.1	Low	70	Confident	12 Å²	12	38.1 Å²	38.1	10%	0.099	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14.8	173.1	0	0	0	0	0	113.9	I75 R76 Y102 T106 F511	I75-A513 WeakPolarHBondContact CG2-O 3.28Å; R76-A513 PolarHBondContact NH1-O 3.05Å; Y102-A513 WeakPolarHBondContact OH-CB 3.32Å; T106-A513 HydrophobicContact CG2-CB 3.74Å; F511-A513 PolarHBondContact O-N 2.97Å
514	M	59.7	Low	69.6	Low	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-107.3	-5.2	178.8	-53.3	161.1	-147.1	0	0	112.4	I75 T106 M109 A110 M329 F511 S512	I75-M514 HydrophobicContact CG2-CG 4.31Å; T106-M514 HydrophobicContact CG2-CE 3.83Å; T106-M514 HydrophobicContact CG2-CG 3.71Å; T106-M514 WeakPolarHBondContact O-CE 3.49Å; M109-M514 HydrophobicContact CB-CE 3.76Å; M109-M514 HydrophobicContact CG-CE 3.66Å; M109-M514 HydrophobicContact SD-CE 3.7Å; A110-M514 HydrophobicContact CB-CG 4.24Å; A110-M514 HydrophobicContact CB-SD 3.67Å; M329-M514 HydrophobicContact CG-SD 4.41Å; M329-M514 HydrophobicContact SD-SD 3.86Å; F511-M514 HydrophobicContact CB-SD 4.27Å; F511-M514 HydrophobicContact CD1-CE 3.81Å; F511-M514 HydrophobicContact CD1-SD 3.77Å; F511-M514 WeakPolarHBondContact O-CA 3.42Å; F511-M514 WeakPolarHBondContact O-CB 3.48Å; F511-M514 PolarHBondContact O-N 3.44Å; S512-M514 PolarHBondContact O-N 3.05Å
515	Q	57.5	Low	68.7	Low	32 Å²	32	40.8 Å²	40.8	15%	0.15	22%	0.217	C	C	.	.			trans	-86.4	132.8	177.9	-63.6	168.5	-0.4	0	0	109.4	R76 M504 S512	R76-Q515 PolarHBondContact NE-O 3.21Å; R76-Q515 PolarHBondContact NH1-O 2.84Å; R76-Q515 PolarHBondContact NH2-O 2.87Å; M504-Q515 HydrophobicContact CB-CG 4.42Å; M504-Q515 HydrophobicContact CE-CB 3.89Å; M504-Q515 HydrophobicContact CE-CG 4.47Å; M504-Q515 HydrophobicContact SD-CB 3.65Å; M504-Q515 HydrophobicContact SD-CG 3.63Å; S512-Q515 PolarHBondContact O-N 3.05Å
516	I	51.7	Low	67.6	Low	13 Å²	13	40.1 Å²	40.1	7%	0.067	20%	0.2	C	C	.	.			trans	-60.9	0	-175.6	-71.2	159	0	0	0	112.2	K44 Y46 R76 Y468 C469 T471 M472 M504	K44-I516 PolarHBondContact NZ-O 2.99Å; K44-I516 PolarHBondContact NZ-OXT 2.95Å; Y46-I516 HydrophobicContact CE2-CG2 4.04Å; Y46-I516 PolarHBondContact OH-OXT 3.12Å; Y46-I516 VanDerWaalsContact OH-OXT 3.06Å; R76-I516 VanDerWaalsContact O-CG1 3.28Å; R76-I516 WeakPolarHBondContact O-CG1 3.44Å; Y468-I516 HydrophobicContact CD1-CD1 4.42Å; Y468-I516 HydrophobicContact CE1-CD1 3.99Å; C469-I516 HydrophobicContact CB-CB 3.92Å; C469-I516 HydrophobicContact CB-CD1 4.07Å; C469-I516 HydrophobicContact CB-CG2 3.81Å; C469-I516 VanDerWaalsContact SG-CD1 3.55Å; T471-I516 VanDerWaalsContact OG1-CG2 3.25Å; T471-I516 WeakPolarHBondContact OG1-CG2 3.43Å; M472-I516 HydrophobicContact CE-CD1 3.74Å; M472-I516 HydrophobicContact CE-CG1 4.06Å; M472-I516 HydrophobicContact CE-CG2 3.96Å; M504-I516 HydrophobicContact CE-CB 4.35Å

Retrieved 516 of 516 residues in 2322.9 ms (Link to these results)

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