A0A096LZI0_POEFO Loading...

Glycerol-3-phosphate dehydrogenase, mitochondrial

Calcium-responsive mitochondrial glycerol-3-phosphate dehydrogenase which seems to be a key component of the pancreatic beta-cell glucose-sensing device.

AlphaFold DB , UniProt , Accession A0A096LZI0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 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	44.3	Very low	34.7	Very low	226 Å²	226	140.2 Å²	140.2	100%	1.113	72%	0.715	S	S	*	*				0	-9.9	0	-87.5	-166.7	-99.2	0	0	115.3
2	A	35.6	Very low	34.9	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	71%	0.708	S	S	*	*			trans	-77	-30.3	176.3	0	0	0	0	0	114.6	R4 R5	A2-R4 PolarHBondContact O-N 3.48Å; A2-R5 PolarHBondContact O-N 2.87Å
3	F	28.1	Very low	35.3	Very low	173 Å²	173	135.2 Å²	135.2	76%	0.759	71%	0.705	S	S	*	*	H	α-helix	trans	-72.2	-28.6	-177.2	-158.7	-103.2	0	0	0	114.2	L7	F3-L7 HydrophobicContact CD1-CD1 4.33Å; F3-L7 HydrophobicContact CE1-CD1 4.13Å
4	R	33.8	Very low	35.3	Very low	217 Å²	217	128.1 Å²	128.1	82%	0.819	68%	0.682	S	S	*	*	H	α-helix	trans	-77.3	-18.8	175.7	-93.1	-176.5	174.6	-179.2	-1.4	113.8	A2	A2-R4 PolarHBondContact O-N 3.48Å
5	R	36.2	Very low	35.3	Very low	207 Å²	207	122.1 Å²	122.1	78%	0.781	66%	0.662	S	S	*	*	H	α-helix	trans	-82.3	-33.5	176.1	-85.6	-176.4	174	176.2	-1.8	112.3	A2 K8	A2-R5 PolarHBondContact O-N 2.87Å; R5-K8 PolarHBondContact O-N 2.68Å
6	A	33.7	Very low	35.4	Very low	65 Å²	65	120.2 Å²	120.2	54%	0.537	66%	0.655	S	S	.	*	H	α-helix	trans	-66.3	-38.8	175.8	0	0	0	0	0	113.1	K8 Q9 A10	A6-K8 VanDerWaalsContact C-N 3.34Å; A6-K8 PolarHBondContact O-N 3.46Å; A6-Q9 PolarHBondContact O-N 3.03Å; A6-A10 PolarHBondContact O-N 3.21Å
7	L	33.7	Very low	35.7	Very low	112 Å²	112	116.1 Å²	116.1	59%	0.586	64%	0.642	S	S	*	*	H	α-helix	trans	-69.1	-27	178.5	-92.9	154.4	0	0	0	114	F3 A11	F3-L7 HydrophobicContact CD1-CD1 4.33Å; F3-L7 HydrophobicContact CE1-CD1 4.13Å; L7-A11 PolarHBondContact O-N 3.45Å
8	K	34.8	Very low	36.1	Very low	167 Å²	167	114.6 Å²	114.6	73%	0.726	64%	0.635	S	S	*	*	H	α-helix	trans	-78.7	-26.7	177	-80.8	-170.9	173.3	-171.6	0	113.4	R5 A6	R5-K8 PolarHBondContact O-N 2.68Å; A6-K8 VanDerWaalsContact C-N 3.34Å; A6-K8 PolarHBondContact O-N 3.46Å
9	Q	32.6	Very low	36.3	Very low	156 Å²	156	113.6 Å²	113.6	73%	0.729	63%	0.633	S	S	*	*	H	α-helix	trans	-82	-30.1	175.8	-74.4	-176	-25.8	0	0	112.7	A6	A6-Q9 PolarHBondContact O-N 3.03Å
10	A	33.6	Very low	36.5	Very low	66 Å²	66	111.7 Å²	111.7	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-70.3	-32	173.5	0	0	0	0	0	113.4	A6 V12 G14	A6-A10 PolarHBondContact O-N 3.21Å; A10-V12 PolarHBondContact O-N 2.89Å; A10-G14 PolarHBondContact O-N 3.14Å; A10-G14 VanDerWaalsContact O-N 3.16Å
11	A	35.1	Very low	37	Very low	68 Å²	68	111 Å²	111	56%	0.562	62%	0.623	S	S	*	*	H	α-helix	trans	-70	-29.4	-179.2	0	0	0	0	0	113.6	L7 G15	L7-A11 PolarHBondContact O-N 3.45Å; A11-G15 PolarHBondContact O-N 2.89Å; A11-G15 VanDerWaalsContact O-N 3.15Å
12	V	37.9	Very low	36.9	Very low	104 Å²	104	106.9 Å²	106.9	63%	0.63	60%	0.599	S	S	*	*	H	α-helix	trans	-82.2	-32.2	-177.5	179.1	0	0	0	0	111.8	A10	A10-V12 PolarHBondContact O-N 2.89Å
13	V	39.8	Very low	36.9	Very low	111 Å²	111	104.5 Å²	104.5	67%	0.673	58%	0.583	S	S	*	*	H	α-helix	trans	-80.6	-36.7	177.1	-177.2	0	0	0	0	111.6
14	G	35.7	Very low	37.6	Very low	37 Å²	37	101.3 Å²	101.3	38%	0.381	57%	0.573	S	S	.	*	H	α-helix	trans	-72.1	-36.2	176.2	0	0	0	0	0	113.7	A10 V18	A10-G14 PolarHBondContact O-N 3.14Å; A10-G14 VanDerWaalsContact O-N 3.16Å; G14-V18 WeakPolarHBondContact O-CB 3.24Å; G14-V18 WeakPolarHBondContact O-CG2 3.48Å; G14-V18 PolarHBondContact O-N 3.3Å
15	G	34.7	Very low	37.9	Very low	37 Å²	37	93.4 Å²	93.4	38%	0.381	55%	0.551	S	S	.	*	H	α-helix	trans	-62.8	-45.7	-179.6	0	0	0	0	0	113	A11 V18 T19	A11-G15 PolarHBondContact O-N 2.89Å; A11-G15 VanDerWaalsContact O-N 3.15Å; G15-V18 PolarHBondContact O-N 3.47Å; G15-T19 PolarHBondContact O-N 3.29Å; G15-T19 PolarHBondContact O-OG1 3.25Å
16	V	37.3	Very low	38.1	Very low	92 Å²	92	89.7 Å²	89.7	56%	0.558	54%	0.543	S	S	*	.	H	α-helix	trans	-69.6	-39.3	-177.5	178.4	0	0	0	0	111.5	T19 T20	V16-T19 WeakPolarHBondContact CA-OG1 3.45Å; V16-T19 PolarHBondContact O-OG1 2.79Å; V16-T19 VanDerWaalsContact O-OG1 3.13Å; V16-T20 WeakPolarHBondContact O-CB 3.35Å; V16-T20 PolarHBondContact O-N 3.22Å; V16-T20 PolarHBondContact O-OG1 3.39Å
17	A	41	Very low	38.4	Very low	51 Å²	51	91.3 Å²	91.3	42%	0.421	54%	0.542	S	S	.	.	H	α-helix	trans	-67.3	-39.2	176.7	0	0	0	0	0	112.1	T20 V21	A17-T20 WeakPolarHBondContact CA-OG1 3.19Å; A17-T20 PolarHBondContact O-OG1 2.86Å; A17-V21 WeakPolarHBondContact O-CB 3.22Å; A17-V21 WeakPolarHBondContact O-CG2 3.4Å; A17-V21 PolarHBondContact O-N 3.03Å
18	V	42.1	Very low	39	Very low	88 Å²	88	89.8 Å²	89.8	53%	0.533	53%	0.534	S	S	.	.	H	α-helix	trans	-70.4	-40.5	177.8	173.2	0	0	0	0	111.4	G14 G15 V21 F22	G14-V18 WeakPolarHBondContact O-CB 3.24Å; G14-V18 WeakPolarHBondContact O-CG2 3.48Å; G14-V18 PolarHBondContact O-N 3.3Å; G15-V18 PolarHBondContact O-N 3.47Å; V18-V21 PolarHBondContact O-N 2.74Å; V18-F22 HydrophobicContact CG1-CD2 4.32Å; V18-F22 WeakPolarHBondContact O-CB 3.28Å; V18-F22 PolarHBondContact O-N 2.76Å
19	T	39.1	Very low	39.4	Very low	97 Å²	97	87.3 Å²	87.3	60%	0.595	52%	0.524	S	S	*	.	H	α-helix	trans	-70.2	-32.4	175.2	41	0	0	0	0	113.6	G15 V16 G23	G15-T19 PolarHBondContact O-N 3.29Å; G15-T19 PolarHBondContact O-OG1 3.25Å; V16-T19 WeakPolarHBondContact CA-OG1 3.45Å; V16-T19 PolarHBondContact O-OG1 2.79Å; V16-T19 VanDerWaalsContact O-OG1 3.13Å; T19-G23 WeakPolarHBondContact O-CA 3.45Å; T19-G23 PolarHBondContact O-N 2.98Å
20	T	41.9	Very low	39.9	Very low	74 Å²	74	87.5 Å²	87.5	45%	0.454	52%	0.519	S	S	.	.	H	α-helix	trans	-73.7	-34.6	174.3	35.7	0	0	0	0	111.8	V16 A17 L24	V16-T20 WeakPolarHBondContact O-CB 3.35Å; V16-T20 PolarHBondContact O-N 3.22Å; V16-T20 PolarHBondContact O-OG1 3.39Å; A17-T20 WeakPolarHBondContact CA-OG1 3.19Å; A17-T20 PolarHBondContact O-OG1 2.86Å; T20-L24 VanDerWaalsContact O-CB 3.29Å; T20-L24 WeakPolarHBondContact O-CB 3.35Å; T20-L24 WeakPolarHBondContact O-CD1 3.49Å; T20-L24 PolarHBondContact O-N 3.28Å
21	V	46.9	Very low	40.2	Very low	99 Å²	99	92.1 Å²	92.1	60%	0.6	52%	0.523	S	S	*	.	H	α-helix	trans	-71.5	-42	174.3	172.2	0	0	0	0	112	A17 V18 S25	A17-V21 WeakPolarHBondContact O-CB 3.22Å; A17-V21 WeakPolarHBondContact O-CG2 3.4Å; A17-V21 PolarHBondContact O-N 3.03Å; V18-V21 PolarHBondContact O-N 2.74Å; V21-S25 WeakPolarHBondContact O-CB 3.36Å; V21-S25 PolarHBondContact O-N 2.83Å
22	F	41.8	Very low	40.6	Very low	138 Å²	138	96.4 Å²	96.4	61%	0.605	52%	0.524	S	S	*	.	H	α-helix	trans	-69.2	-38.1	173.7	-106.8	-91.8	0	0	0	112.4	V18 S25 Q26	V18-F22 HydrophobicContact CG1-CD2 4.32Å; V18-F22 WeakPolarHBondContact O-CB 3.28Å; V18-F22 PolarHBondContact O-N 2.76Å; F22-S25 PolarHBondContact O-N 3.02Å; F22-S25 PolarHBondContact O-OG 3.5Å; F22-Q26 PolarHBondContact O-N 3.41Å
23	G	36.1	Very low	40.9	Very low	35 Å²	35	96.4 Å²	96.4	36%	0.361	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-45.7	173.9	0	0	0	0	0	111.5	T19 Q26 L27	T19-G23 WeakPolarHBondContact O-CA 3.45Å; T19-G23 PolarHBondContact O-N 2.98Å; G23-Q26 PolarHBondContact O-N 2.97Å; G23-L27 VanDerWaalsContact O-CB 3.31Å; G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 PolarHBondContact O-N 2.89Å
24	L	42.3	Very low	40.9	Very low	107 Å²	107	97.9 Å²	97.9	56%	0.56	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-39.1	172.3	-109	87.6	0	0	0	111.8	T20 L27 I28	T20-L24 VanDerWaalsContact O-CB 3.29Å; T20-L24 WeakPolarHBondContact O-CB 3.35Å; T20-L24 WeakPolarHBondContact O-CD1 3.49Å; T20-L24 PolarHBondContact O-N 3.28Å; L24-L27 PolarHBondContact O-N 2.77Å; L24-I28 HydrophobicContact CB-CD1 4.39Å; L24-I28 HydrophobicContact CD2-CD1 4.38Å; L24-I28 WeakPolarHBondContact O-CB 3.22Å; L24-I28 WeakPolarHBondContact O-CD1 3.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.31Å
25	S	39.2	Very low	41.1	Very low	51 Å²	51	102.2 Å²	102.2	36%	0.357	54%	0.535	S	S	.	.	H	α-helix	trans	-65.4	-41.2	-179.6	79.5	0	0	0	0	111	V21 F22 I28 E29	V21-S25 WeakPolarHBondContact O-CB 3.36Å; V21-S25 PolarHBondContact O-N 2.83Å; F22-S25 PolarHBondContact O-N 3.02Å; F22-S25 PolarHBondContact O-OG 3.5Å; S25-I28 CarbonylContact O-C 3.59Å; S25-I28 PolarHBondContact O-N 3.09Å; S25-E29 WeakPolarHBondContact O-CB 3.44Å; S25-E29 PolarHBondContact O-N 3.41Å
26	Q	40.6	Very low	41.4	Very low	129 Å²	129	109.7 Å²	109.7	60%	0.603	55%	0.551	S	S	*	*	H	α-helix	trans	-70.4	-33.6	173.7	-73.7	-152.3	-20.5	0	0	112.9	F22 G23 E29 Y30	F22-Q26 PolarHBondContact O-N 3.41Å; G23-Q26 PolarHBondContact O-N 2.97Å; Q26-E29 PolarHBondContact O-N 3.28Å; Q26-Y30 WeakPolarHBondContact O-CB 3.04Å; Q26-Y30 PolarHBondContact O-N 3.37Å
27	L	39.7	Very low	41.4	Very low	98 Å²	98	108.9 Å²	108.9	51%	0.513	55%	0.547	S	S	.	.	H	α-helix	trans	-72.9	-31	174.6	-137.2	131.2	0	0	0	111.9	G23 L24 R31	G23-L27 VanDerWaalsContact O-CB 3.31Å; G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 PolarHBondContact O-N 2.89Å; L24-L27 PolarHBondContact O-N 2.77Å; L27-R31 WeakPolarHBondContact O-CB 3.29Å; L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.18Å; L27-R31 PolarHBondContact O-N 3.37Å
28	I	47.1	Very low	41.4	Very low	81 Å²	81	109.7 Å²	109.7	42%	0.415	55%	0.554	S	S	.	*	H	α-helix	trans	-72.6	-37.1	170.2	-70.8	163.7	0	0	0	110.3	L24 S25 R31 R32	L24-I28 HydrophobicContact CB-CD1 4.39Å; L24-I28 HydrophobicContact CD2-CD1 4.38Å; L24-I28 WeakPolarHBondContact O-CB 3.22Å; L24-I28 WeakPolarHBondContact O-CD1 3.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.38Å; L24-I28 PolarHBondContact O-N 3.31Å; S25-I28 CarbonylContact O-C 3.59Å; S25-I28 PolarHBondContact O-N 3.09Å; I28-R31 CarbonylContact O-C 3.58Å; I28-R32 HydrophobicContact CG2-CG 4.44Å; I28-R32 WeakPolarHBondContact O-CA 3.39Å; I28-R32 WeakPolarHBondContact O-CB 3.48Å; I28-R32 VanDerWaalsContact O-CG 3.22Å; I28-R32 WeakPolarHBondContact O-CG 3.3Å; I28-R32 PolarHBondContact O-N 3.11Å
29	E	43.3	Very low	41.5	Very low	114 Å²	114	111.5 Å²	111.5	53%	0.533	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-45.5	172.9	-116	171.9	167.4	0	0	111.3	S25 Q26 R32 T33	S25-E29 WeakPolarHBondContact O-CB 3.44Å; S25-E29 PolarHBondContact O-N 3.41Å; Q26-E29 PolarHBondContact O-N 3.28Å; E29-R32 CarbonylContact O-C 3.56Å; E29-R32 WeakPolarHBondContact O-CA 3.5Å; E29-R32 WeakPolarHBondContact O-CB 3.32Å; E29-R32 PolarHBondContact O-N 2.9Å; E29-R32 VanDerWaalsContact O-N 3.12Å; E29-T33 PolarHBondContact O-N 2.83Å; E29-T33 PolarHBondContact O-OG1 3.23Å
30	Y	42	Very low	41.5	Very low	160 Å²	160	113.3 Å²	113.3	63%	0.627	56%	0.561	S	S	*	*	H	α-helix	trans	-63.6	-43.2	174.5	-175	-99.8	0	0	0	111.4	Q26 R32 T33 Q34	Q26-Y30 WeakPolarHBondContact O-CB 3.04Å; Q26-Y30 PolarHBondContact O-N 3.37Å; Y30-R32 VanDerWaalsContact C-N 3.35Å; Y30-R32 PolarHBondContact O-N 3.29Å; Y30-T33 PolarHBondContact O-N 3.01Å; Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.47Å
31	R	39.7	Very low	41.5	Very low	163 Å²	163	113.2 Å²	113.2	62%	0.615	57%	0.568	S	S	*	*	H	α-helix	trans	-66.7	-30.4	170.2	-79.8	-176.6	179.8	-179.7	1.2	112.9	L27 I28 Q34 H35	L27-R31 WeakPolarHBondContact O-CB 3.29Å; L27-R31 VanDerWaalsContact O-CG 3.3Å; L27-R31 WeakPolarHBondContact O-CG 3.18Å; L27-R31 PolarHBondContact O-N 3.37Å; I28-R31 CarbonylContact O-C 3.58Å; R31-Q34 CarbonylContact O-C 3.45Å; R31-Q34 PolarHBondContact O-N 2.92Å; R31-H35 WeakPolarHBondContact O-CB 3.44Å; R31-H35 PolarHBondContact O-CD2 3Å; R31-H35 VanDerWaalsContact O-CD2 3.24Å; R31-H35 PolarHBondContact O-N 3.29Å
32	R	43.6	Very low	41.4	Very low	158 Å²	158	114.4 Å²	114.4	60%	0.596	56%	0.562	S	S	*	*	H	α-helix	trans	-71.3	-34.6	173.4	-88.6	176.1	174.4	179.8	-2.3	112.2	I28 E29 Y30 Q34 H35	I28-R32 HydrophobicContact CG2-CG 4.44Å; I28-R32 WeakPolarHBondContact O-CA 3.39Å; I28-R32 WeakPolarHBondContact O-CB 3.48Å; I28-R32 VanDerWaalsContact O-CG 3.22Å; I28-R32 WeakPolarHBondContact O-CG 3.3Å; I28-R32 PolarHBondContact O-N 3.11Å; E29-R32 CarbonylContact O-C 3.56Å; E29-R32 WeakPolarHBondContact O-CA 3.5Å; E29-R32 WeakPolarHBondContact O-CB 3.32Å; E29-R32 PolarHBondContact O-N 2.9Å; E29-R32 VanDerWaalsContact O-N 3.12Å; Y30-R32 VanDerWaalsContact C-N 3.35Å; Y30-R32 PolarHBondContact O-N 3.29Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; R32-H35 CarbonylContact O-C 3.54Å; R32-H35 PolarHBondContact O-N 3.31Å
33	T	45.5	Very low	41.4	Very low	104 Å²	104	112.8 Å²	112.8	64%	0.638	56%	0.563	S	S	*	*	H	α-helix	trans	-70.2	-32.5	173.2	-28.3	0	0	0	0	110.4	E29 Y30	E29-T33 PolarHBondContact O-N 2.83Å; E29-T33 PolarHBondContact O-OG1 3.23Å; Y30-T33 PolarHBondContact O-N 3.01Å
34	Q	39.8	Very low	41.8	Very low	143 Å²	143	113.4 Å²	113.4	67%	0.668	56%	0.564	S	S	*	*	H	α-helix	trans	-73.6	-30.3	169.1	-74.4	-110.2	-36.4	0	0	113.4	Y30 R31 R32 R36	Y30-Q34 WeakPolarHBondContact O-CG 3.38Å; Y30-Q34 PolarHBondContact O-N 3.47Å; R31-Q34 CarbonylContact O-C 3.45Å; R31-Q34 PolarHBondContact O-N 2.92Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; Q34-R36 PolarHBondContact O-N 3.5Å
35	H	40	Very low	42.2	Very low	128 Å²	128	109.3 Å²	109.3	59%	0.593	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	35.1	172.9	-87.7	-64.6	0	0	0	114	R31 R32 T37	R31-H35 WeakPolarHBondContact O-CB 3.44Å; R31-H35 PolarHBondContact O-CD2 3Å; R31-H35 VanDerWaalsContact O-CD2 3.24Å; R31-H35 PolarHBondContact O-N 3.29Å; R32-H35 CarbonylContact O-C 3.54Å; R32-H35 PolarHBondContact O-N 3.31Å; H35-T37 VanDerWaalsContact CA-OG1 3.31Å; H35-T37 WeakPolarHBondContact CA-OG1 3.47Å; H35-T37 WeakPolarHBondContact CB-OG1 3.44Å; H35-T37 PolarHBondContact ND1-OG1 3.25Å; H35-T37 PolarHBondContact O-N 3Å; H35-T37 PolarHBondContact O-OG1 3.5Å; H35-T37 VanDerWaalsContact O-OG1 3.06Å
36	R	40.7	Very low	42.8	Very low	193 Å²	193	111.6 Å²	111.6	73%	0.728	55%	0.551	S	S	*	*			trans	-46.1	7.5	146.8	-97.2	176	159.3	-179	-4.4	114.8	Q34 A38 Q39	Q34-R36 PolarHBondContact O-N 3.5Å; R36-A38 PolarHBondContact O-N 2.93Å; R36-Q39 WeakPolarHBondContact O-CB 3.41Å; R36-Q39 PolarHBondContact O-N 3.44Å
37	T	37.3	Very low	43.2	Very low	76 Å²	76	109.3 Å²	109.3	47%	0.466	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-57.7	7.8	160.3	28.9	0	0	0	0	116.1	H35 Q39 L40	H35-T37 VanDerWaalsContact CA-OG1 3.31Å; H35-T37 WeakPolarHBondContact CA-OG1 3.47Å; H35-T37 WeakPolarHBondContact CB-OG1 3.44Å; H35-T37 PolarHBondContact ND1-OG1 3.25Å; H35-T37 PolarHBondContact O-N 3Å; H35-T37 PolarHBondContact O-OG1 3.5Å; H35-T37 VanDerWaalsContact O-OG1 3.06Å; T37-Q39 PolarHBondContact O-N 3.26Å; T37-L40 HydrophobicContact CG2-CD1 4.06Å
38	A	40.5	Very low	43.9	Very low	68 Å²	68	110.9 Å²	110.9	56%	0.562	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	-5.5	152.5	0	0	0	0	0	112.4	R36	R36-A38 PolarHBondContact O-N 2.93Å
39	Q	43.7	Very low	44.7	Very low	126 Å²	126	108.4 Å²	108.4	59%	0.589	55%	0.547	S	S	*	.	H	α-helix	trans	-73.5	-14.8	173.7	-96.7	175.2	-42.8	0	0	115.5	R36 T37	R36-Q39 WeakPolarHBondContact O-CB 3.41Å; R36-Q39 PolarHBondContact O-N 3.44Å; T37-Q39 PolarHBondContact O-N 3.26Å
40	L	40.1	Very low	45.6	Very low	134 Å²	134	111.5 Å²	111.5	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-82.6	-30.3	-173.9	-74.8	165.6	0	0	0	114.1	T37	T37-L40 HydrophobicContact CG2-CD1 4.06Å
41	A	41.1	Very low	46.6	Very low	72 Å²	72	104.8 Å²	104.8	60%	0.595	53%	0.534	S	S	*	.	H	α-helix	trans	-74.4	-30	173.6	0	0	0	0	0	112.5	V43 A45	A41-V43 VanDerWaalsContact C-N 3.34Å; A41-V43 PolarHBondContact O-N 2.84Å; A41-A45 PolarHBondContact O-N 3.01Å
42	R	45.3	Very low	48.1	Very low	124 Å²	124	104.3 Å²	104.3	47%	0.468	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-30.3	-176.5	-88	177.7	63.8	161.9	-1.6	114.3	Q152	R42-Q152 VanDerWaalsContact CG-NE2 3.28Å
43	V	42.7	Very low	49.9	Very low	105 Å²	105	101.7 Å²	101.7	64%	0.636	54%	0.536	S	S	*	.	H	α-helix	trans	-89.5	-33.5	-178	-177.7	0	0	0	0	111.3	A41 A47	A41-V43 VanDerWaalsContact C-N 3.34Å; A41-V43 PolarHBondContact O-N 2.84Å; V43-A47 WeakPolarHBondContact O-CB 3.17Å; V43-A47 PolarHBondContact O-N 2.81Å
44	A	43.3	Very low	51.6	Low	47 Å²	47	98.4 Å²	98.4	39%	0.388	52%	0.52	S	S	.	.	H	α-helix	trans	-71.9	-43.7	-176.1	0	0	0	0	0	113.1	E48	A44-E48 WeakPolarHBondContact O-CB 3.41Å; A44-E48 WeakPolarHBondContact O-CG 3.43Å; A44-E48 PolarHBondContact O-N 3.11Å
45	A	50.6	Low	53.6	Low	22 Å²	22	98.4 Å²	98.4	18%	0.182	52%	0.524	C	S	.	.	H	α-helix	trans	-69.4	-42.1	-173.1	0	0	0	0	0	113.9	A41 R466	A41-A45 PolarHBondContact O-N 3.01Å; A45-R466 PolarHBondContact O-NH2 3.08Å
46	E	51.7	Low	55.8	Low	98 Å²	98	100.2 Å²	100.2	46%	0.458	53%	0.533	S	S	.	.	H	α-helix	trans	-73.2	-40.6	176.7	-166.1	178.4	169	0	0	111	E48 L49 K476	E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 2.93Å; E46-L49 PolarHBondContact O-N 3.18Å; E46-K476 IonicContact OE1-NZ 2.93Å; E46-K476 PolarHBondContact OE1-NZ 3.33Å
47	A	49.7	Very low	58.3	Low	82 Å²	82	92.8 Å²	92.8	68%	0.678	51%	0.508	S	S	*	.	H	α-helix	trans	-67.9	-25.4	-177.6	0	0	0	0	0	114.2	V43	V43-A47 WeakPolarHBondContact O-CB 3.17Å; V43-A47 PolarHBondContact O-N 2.81Å
48	E	54.4	Low	61.1	Low	131 Å²	131	91.1 Å²	91.1	61%	0.612	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-6.1	-179.9	-77	179.2	-174.9	0	0	113.7	A44 E46 K50 R466	A44-E48 WeakPolarHBondContact O-CB 3.41Å; A44-E48 WeakPolarHBondContact O-CG 3.43Å; A44-E48 PolarHBondContact O-N 3.11Å; E46-E48 VanDerWaalsContact C-N 3.31Å; E46-E48 PolarHBondContact O-N 2.93Å; E48-K50 PolarHBondContact O-N 3.27Å; E48-K50 VanDerWaalsContact O-N 3.1Å; E48-R466 VanDerWaalsContact C-NH1 3.27Å; E48-R466 PolarHBondContact O-NH1 2.96Å; E48-R466 PolarHBondContact O-NH2 2.82Å
49	L	63.4	Low	63.8	Low	29 Å²	29	90.6 Å²	90.6	15%	0.152	49%	0.49	C	S	.	.			trans	-75.2	100.4	-176.3	-97.2	154.6	0	0	0	109.7	E46 V51 T93 L470	E46-L49 PolarHBondContact O-N 3.18Å; L49-V51 HydrophobicContact CD2-CB 4.17Å; L49-V51 HydrophobicContact CD2-CG2 3.85Å; L49-V51 PolarHBondContact O-N 3.43Å; L49-T93 HydrophobicContact CD2-CG2 4.42Å; L49-L470 HydrophobicContact CD1-CD1 3.66Å
50	K	61.7	Low	66.3	Low	179 Å²	179	85.9 Å²	85.9	78%	0.778	47%	0.467	S	S	*	.			trans	-84	15	172.1	-63.6	-171.3	178.5	-177.1	0	113.3	E48	E48-K50 PolarHBondContact O-N 3.27Å; E48-K50 VanDerWaalsContact O-N 3.1Å
51	V	63.7	Low	68.9	Low	18 Å²	18	85.5 Å²	85.5	11%	0.109	46%	0.462	C	S	.	.	S	Bend	trans	-85.2	138.8	177.9	-176.5	0	0	0	0	107.8	L49 F53 H242	L49-V51 HydrophobicContact CD2-CB 4.17Å; L49-V51 HydrophobicContact CD2-CG2 3.85Å; L49-V51 PolarHBondContact O-N 3.43Å; V51-F53 PolarHBondContact O-N 3.03Å; V51-H242 HydrophobicContact CG1-CB 4.27Å; V51-H242 WeakPolarHBondContact CG1-O 3.43Å
52	L	71.8	Confident	71.6	Confident	153 Å²	153	84.4 Å²	84.4	80%	0.801	45%	0.452	S	S	*	.			trans	-54.6	128.5	175.9	-73.3	166.9	0	0	0	109.5	H242	L52-H242 CarbonylContact O-C 3.57Å; L52-H242 VanDerWaalsContact O-CA 3.28Å; L52-H242 WeakPolarHBondContact O-CA 3.04Å
53	F	81.8	Confident	74.1	Confident	103 Å²	103	78.8 Å²	78.8	45%	0.452	43%	0.432	S	S	.	.			trans	-117	114.7	170.6	-175.7	-92.5	0	0	0	108.4	V51 R241 H242	V51-F53 PolarHBondContact O-N 3.03Å; F53-R241 CarbonylContact C-O 3.51Å; F53-R241 WeakPolarHBondContact CA-O 3.43Å; F53-R241 HydrophobicContact CD2-CB 3.99Å; F53-R241 HydrophobicContact CE2-CB 3.69Å; F53-R241 HydrophobicContact CE2-CG 4.44Å; F53-R241 HydrophobicContact CZ-CB 4.15Å; F53-R241 VanDerWaalsContact CZ-CD 3.46Å; F53-R241 HydrophobicContact CZ-CG 4.46Å; F53-H242 AromaticContact CD2-CE1 3.61Å; F53-H242 AromaticContact CD2-ND1 3.94Å; F53-H242 AromaticContact CD2-NE2 3.85Å
54	A	81.1	Confident	76.7	Confident	36 Å²	36	74.8 Å²	74.8	30%	0.298	41%	0.407	S	S	.	.			trans	-76.5	124.7	179.5	0	0	0	0	0	110.7	E56 R241	A54-E56 VanDerWaalsContact C-N 3.3Å; A54-E56 VanDerWaalsContact CB-O 3.22Å; A54-E56 WeakPolarHBondContact CB-O 3.48Å; A54-E56 PolarHBondContact O-N 2.81Å; A54-R241 PolarHBondContact N-O 3.45Å; A54-R241 PolarHBondContact O-NH1 3.26Å
55	N	80.8	Confident	79.3	Confident	142 Å²	142	74.3 Å²	74.3	76%	0.759	40%	0.402	S	S	*	.	S	Bend	trans	-63.4	-38.1	175.7	-75	-26.6	0	0	0	111.8	R241	N55-R241 PolarHBondContact O-NH1 3.49Å
56	E	87.3	Confident	81.5	Confident	166 Å²	166	74.9 Å²	74.9	78%	0.776	41%	0.407	S	S	*	.	S	Bend	trans	-101.1	145.4	172	-65.5	-171.6	171.5	0	0	110	A54 R241	A54-E56 VanDerWaalsContact C-N 3.3Å; A54-E56 VanDerWaalsContact CB-O 3.22Å; A54-E56 WeakPolarHBondContact CB-O 3.48Å; A54-E56 PolarHBondContact O-N 2.81Å; E56-R241 PolarHBondContact O-NH1 3.45Å
57	L	93.3	Very high	83.7	Confident	38 Å²	38	70.3 Å²	70.3	20%	0.199	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-74.3	126.5	176.3	-176.6	68.5	0	0	0	107.4	L237 A240 R241 K545 Y547	L57-L237 HydrophobicContact CD1-CB 4.31Å; L57-L237 HydrophobicContact CD1-CD2 4.08Å; L57-L237 HydrophobicContact CD2-CD1 4.33Å; L57-L237 HydrophobicContact CD2-CD2 3.76Å; L57-A240 HydrophobicContact CD1-CB 4.06Å; L57-R241 HydrophobicContact CD1-CG 4.01Å; L57-K545 VanDerWaalsContact CD2-O 3.23Å; L57-K545 WeakPolarHBondContact CD2-O 3.3Å; L57-Y547 HydrophobicContact CD2-CE1 4.3Å; L57-Y547 HydrophobicContact CD2-CE2 4.49Å; L57-Y547 HydrophobicContact CG-CE1 4.42Å
58	P	95.3	Very high	85.9	Confident	40 Å²	40	70.9 Å²	70.9	26%	0.26	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-58.1	147	176.7	-21.8	32.5	0	0	0	110.7	Y547	P58-Y547 WeakPolarHBondContact O-CE1 3.46Å; P58-Y547 PolarHBondContact O-OH 3.14Å
59	S	96.6	Very high	88	Confident	58 Å²	58	70.5 Å²	70.5	41%	0.406	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-69	158.9	176.3	84.8	0	0	0	0	111.3	E61 A62 Q63	S59-E61 WeakPolarHBondContact CB-OE2 3.5Å; S59-E61 PolarHBondContact O-N 2.85Å; S59-E61 PolarHBondContact OG-N 3.35Å; S59-E61 PolarHBondContact OG-OE2 3.33Å; S59-A62 WeakPolarHBondContact O-CB 3.26Å; S59-A62 PolarHBondContact O-N 2.94Å; S59-A62 VanDerWaalsContact O-N 3.14Å; S59-A62 PolarHBondContact OG-N 3.27Å; S59-Q63 WeakPolarHBondContact O-CG 3.49Å; S59-Q63 PolarHBondContact O-N 3.19Å
60	R	95.8	Very high	89.6	Confident	27 Å²	27	71 Å²	71	10%	0.102	38%	0.381	C	S	.	.	H	α-helix	trans	-61.2	-35.2	177.6	-171.8	179.1	168.1	-76.7	-7.2	111.9	Q63 L64 N248 Y547 C549	R60-Q63 WeakPolarHBondContact O-CB 3.46Å; R60-Q63 PolarHBondContact O-N 2.94Å; R60-L64 VanDerWaalsContact NH1-CD1 3.34Å; R60-L64 PolarHBondContact O-N 3.38Å; R60-N248 WeakPolarHBondContact CD-OD1 3.06Å; R60-N248 PolarHBondContact NE-OD1 3.03Å; R60-N248 PolarHBondContact NH2-O 3.14Å; R60-Y547 HydrophobicContact CB-CD1 3.77Å; R60-Y547 HydrophobicContact CB-CE1 4.23Å; R60-Y547 HydrophobicContact CG-CD1 4.43Å; R60-C549 VanDerWaalsContact CD-SG 3.54Å
61	E	95.6	Very high	91.2	Very high	125 Å²	125	67.9 Å²	67.9	58%	0.584	38%	0.379	S	S	*	.	H	α-helix	trans	-64.6	-42.2	176.4	-61.3	66.8	-141.8	0	0	110.7	S59 Q63 L64 A65	S59-E61 WeakPolarHBondContact CB-OE2 3.5Å; S59-E61 PolarHBondContact O-N 2.85Å; S59-E61 PolarHBondContact OG-N 3.35Å; S59-E61 PolarHBondContact OG-OE2 3.33Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 PolarHBondContact O-N 2.9Å; E61-L64 PolarHBondContact O-N 2.84Å; E61-A65 WeakPolarHBondContact O-CB 3.15Å; E61-A65 PolarHBondContact O-N 3.26Å
62	A	96.9	Very high	92.8	Very high	49 Å²	49	70.7 Å²	70.7	41%	0.405	39%	0.391	S	S	.	.	H	α-helix	trans	-64.1	-36.8	174.6	0	0	0	0	0	111.7	S59 A65 A66	S59-A62 WeakPolarHBondContact O-CB 3.26Å; S59-A62 PolarHBondContact O-N 2.94Å; S59-A62 VanDerWaalsContact O-N 3.14Å; S59-A62 PolarHBondContact OG-N 3.27Å; A62-A65 PolarHBondContact O-N 3.1Å; A62-A66 WeakPolarHBondContact O-CB 3.41Å; A62-A66 PolarHBondContact O-N 3.31Å
63	Q	97.9	Very high	94.1	Very high	7 Å²	7	63.8 Å²	63.8	3%	0.033	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-44.4	173.7	-65.1	-68.9	-10.5	0	0	112.3	S59 R60 E61 A65 A66 L67 A244 I246 Y547	S59-Q63 WeakPolarHBondContact O-CG 3.49Å; S59-Q63 PolarHBondContact O-N 3.19Å; R60-Q63 WeakPolarHBondContact O-CB 3.46Å; R60-Q63 PolarHBondContact O-N 2.94Å; E61-Q63 VanDerWaalsContact C-N 3.3Å; E61-Q63 PolarHBondContact O-N 2.9Å; Q63-A65 VanDerWaalsContact C-N 3.35Å; Q63-A66 PolarHBondContact O-N 2.71Å; Q63-L67 WeakPolarHBondContact O-CG 3.46Å; Q63-L67 PolarHBondContact O-N 3.17Å; Q63-A244 PolarHBondContact OE1-O 3.03Å; Q63-A244 VanDerWaalsContact OE1-O 3.11Å; Q63-I246 WeakPolarHBondContact CB-O 3.09Å; Q63-I246 WeakPolarHBondContact CG-O 3.42Å; Q63-Y547 PolarHBondContact NE2-OH 3.16Å
64	L	97.6	Very high	94.9	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.11	34%	0.336	C	S	.	.	H	α-helix	trans	-64.2	-38.6	175.8	-77.9	174.7	0	0	0	112.4	R60 E61 L67 Q68 A247 F282	R60-L64 VanDerWaalsContact NH1-CD1 3.34Å; R60-L64 PolarHBondContact O-N 3.38Å; E61-L64 PolarHBondContact O-N 2.84Å; L64-L67 HydrophobicContact CD2-CD1 4.45Å; L64-L67 PolarHBondContact O-N 3.39Å; L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.18Å; L64-Q68 PolarHBondContact O-NE2 3.1Å; L64-A247 HydrophobicContact CD2-CB 3.73Å; L64-A247 HydrophobicContact CG-CB 4.32Å; L64-F282 HydrophobicContact CD2-CZ 4.28Å
65	A	97.6	Very high	95.7	Very high	36 Å²	36	57.7 Å²	57.7	30%	0.298	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-46.3	173.1	0	0	0	0	0	110.5	E61 A62 Q63 L67 Q68 D69	E61-A65 WeakPolarHBondContact O-CB 3.15Å; E61-A65 PolarHBondContact O-N 3.26Å; A62-A65 PolarHBondContact O-N 3.1Å; Q63-A65 VanDerWaalsContact C-N 3.35Å; A65-L67 VanDerWaalsContact C-N 3.27Å; A65-L67 PolarHBondContact O-N 3.35Å; A65-Q68 PolarHBondContact O-N 3.33Å; A65-D69 WeakPolarHBondContact O-CB 3.18Å; A65-D69 VanDerWaalsContact O-CG 3.28Å; A65-D69 PolarHBondContact O-N 3.32Å
66	A	97.6	Very high	96.6	Very high	35 Å²	35	50.9 Å²	50.9	29%	0.289	29%	0.285	S	S	.	.	H	α-helix	trans	-58.3	-37.6	176.6	0	0	0	0	0	112.9	A62 Q63 Q68 T70 F73 A245	A62-A66 WeakPolarHBondContact O-CB 3.41Å; A62-A66 PolarHBondContact O-N 3.31Å; Q63-A66 PolarHBondContact O-N 2.71Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 2.78Å; A66-T70 WeakPolarHBondContact O-CB 3.38Å; A66-T70 PolarHBondContact O-N 3.49Å; A66-T70 PolarHBondContact O-OG1 3.01Å; A66-F73 WeakPolarHBondContact O-CZ 3.17Å; A66-A245 HydrophobicContact CB-CB 4Å
67	L	97.9	Very high	97.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-33.3	174.2	-73.6	171.6	0	0	0	113.3	Q63 L64 A65 F73 A99 V101 A245 A247 F282 V284	Q63-L67 WeakPolarHBondContact O-CG 3.46Å; Q63-L67 PolarHBondContact O-N 3.17Å; L64-L67 HydrophobicContact CD2-CD1 4.45Å; L64-L67 PolarHBondContact O-N 3.39Å; A65-L67 VanDerWaalsContact C-N 3.27Å; A65-L67 PolarHBondContact O-N 3.35Å; L67-F73 HydrophobicContact CD2-CE2 4.38Å; L67-F73 HydrophobicContact CD2-CZ 4.23Å; L67-A99 HydrophobicContact CD2-CB 3.59Å; L67-V101 HydrophobicContact CD1-CG1 4.14Å; L67-V101 HydrophobicContact CD2-CG1 4.49Å; L67-A245 HydrophobicContact CD2-CB 3.77Å; L67-A245 HydrophobicContact CG-CB 4Å; L67-A247 HydrophobicContact CD1-CB 3.53Å; L67-F282 HydrophobicContact CB-CE2 4.08Å; L67-V284 HydrophobicContact CB-CG2 4.43Å; L67-V284 HydrophobicContact CD2-CG1 4.45Å
68	Q	96.6	Very high	97.4	Very high	94 Å²	94	41.7 Å²	41.7	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-85.8	-41.7	-178.8	-72.9	166.9	64.8	0	0	112.6	L64 A65 A66 F282	L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.18Å; L64-Q68 PolarHBondContact O-NE2 3.1Å; A65-Q68 PolarHBondContact O-N 3.33Å; A66-Q68 VanDerWaalsContact C-N 3.32Å; A66-Q68 PolarHBondContact O-N 2.78Å; Q68-F282 HydrophobicContact CG-CB 4.02Å; Q68-F282 HydrophobicContact CG-CD1 4.19Å; Q68-F282 HydrophobicContact CG-CD2 3.54Å; Q68-F282 HydrophobicContact CG-CE2 3.98Å; Q68-F282 HydrophobicContact CG-CG 3.65Å; Q68-F282 HydrophobicContact CG-CZ 4.48Å
69	D	96.8	Very high	97.5	Very high	124 Å²	124	40 Å²	40	66%	0.663	23%	0.232	S	C	*	.	H	α-helix	trans	-85.1	-20.4	-170.4	-63.6	-24.8	0	0	0	112.4	A65 P71	A65-D69 WeakPolarHBondContact O-CB 3.18Å; A65-D69 VanDerWaalsContact O-CG 3.28Å; A65-D69 PolarHBondContact O-N 3.32Å; D69-P71 VanDerWaalsContact O-CD 3.24Å; D69-P71 WeakPolarHBondContact O-CD 3.32Å
70	T	97.4	Very high	97.6	Very high	40 Å²	40	37.2 Å²	37.2	25%	0.245	21%	0.213	C	C	.	.			trans	-73.1	117.4	177.1	-61.5	0	0	0	0	109.7	A66 E72 F73	A66-T70 WeakPolarHBondContact O-CB 3.38Å; A66-T70 PolarHBondContact O-N 3.49Å; A66-T70 PolarHBondContact O-OG1 3.01Å; T70-E72 VanDerWaalsContact C-N 3.28Å; T70-E72 PolarHBondContact O-N 3.11Å; T70-F73 HydrophobicContact CG2-CD1 4.04Å; T70-F73 HydrophobicContact CG2-CD2 4.06Å; T70-F73 HydrophobicContact CG2-CE1 3.78Å; T70-F73 HydrophobicContact CG2-CE2 3.8Å; T70-F73 HydrophobicContact CG2-CG 4.18Å; T70-F73 HydrophobicContact CG2-CZ 3.66Å; T70-F73 WeakPolarHBondContact OG1-CZ 3.43Å
71	P	96.3	Very high	97.7	Very high	112 Å²	112	36.8 Å²	36.8	73%	0.727	22%	0.216	S	C	*	.	S	Bend	trans	-62.7	-34.1	-173.3	-25.5	35.2	0	0	0	114	D69 R285	D69-P71 VanDerWaalsContact O-CD 3.24Å; D69-P71 WeakPolarHBondContact O-CD 3.32Å; P71-R285 WeakPolarHBondContact O-CB 3.43Å
72	E	97.6	Very high	97.9	Very high	78 Å²	78	31 Å²	31	36%	0.364	19%	0.19	S	C	.	.			trans	-161.1	130.5	178.3	-172	-176.2	-115.7	0	0	110.4	T70 R97 K287	T70-E72 VanDerWaalsContact C-N 3.28Å; T70-E72 PolarHBondContact O-N 3.11Å; E72-R97 PolarHBondContact O-NH1 3.33Å; E72-R97 PolarHBondContact O-NH2 3.37Å; E72-R97 VanDerWaalsContact O-NH2 3.09Å; E72-K287 HydrophobicContact CG-CG 4.29Å; E72-K287 WeakPolarHBondContact OE2-CE 3.31Å
73	F	98.5	Very high	97.9	Very high	7 Å²	7	29.9 Å²	29.9	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	155.2	170.6	-68.4	-85.4	0	0	0	111.6	A66 L67 T70 R97 A99 A245 V284 R285 A286 K287	A66-F73 WeakPolarHBondContact O-CZ 3.17Å; L67-F73 HydrophobicContact CD2-CE2 4.38Å; L67-F73 HydrophobicContact CD2-CZ 4.23Å; T70-F73 HydrophobicContact CG2-CD1 4.04Å; T70-F73 HydrophobicContact CG2-CD2 4.06Å; T70-F73 HydrophobicContact CG2-CE1 3.78Å; T70-F73 HydrophobicContact CG2-CE2 3.8Å; T70-F73 HydrophobicContact CG2-CG 4.18Å; T70-F73 HydrophobicContact CG2-CZ 3.66Å; T70-F73 WeakPolarHBondContact OG1-CZ 3.43Å; F73-R97 HydrophobicContact CD1-CB 4.24Å; F73-A99 HydrophobicContact CB-CB 4.34Å; F73-A99 HydrophobicContact CD1-CB 3.77Å; F73-A99 HydrophobicContact CD2-CB 3.79Å; F73-A99 HydrophobicContact CE1-CB 3.93Å; F73-A99 HydrophobicContact CE2-CB 3.95Å; F73-A99 HydrophobicContact CG-CB 3.69Å; F73-A99 HydrophobicContact CZ-CB 4.01Å; F73-A245 HydrophobicContact CE1-CB 3.76Å; F73-A245 HydrophobicContact CZ-CB 3.78Å; F73-V284 HydrophobicContact CD2-CG1 3.78Å; F73-V284 HydrophobicContact CE2-CG1 3.89Å; F73-R285 WeakPolarHBondContact CD2-O 3.22Å; F73-R285 PolarHBondContact N-O 2.82Å; F73-A286 HydrophobicContact CB-CB 4.06Å; F73-A286 CarbonylContact O-C 3.47Å; F73-A286 WeakPolarHBondContact O-CA 3.25Å; F73-K287 PolarHBondContact O-N 2.92Å
74	D	98.3	Very high	97.9	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	-35.5	170.9	-58.8	-51.5	0	0	0	110.4	L96 R97 K287 C288	D74-L96 HydrophobicContact CB-CB 4.22Å; D74-L96 HydrophobicContact CB-CD2 4.19Å; D74-R97 PolarHBondContact N-O 3.22Å; D74-R97 IonicContact OD1-NE 3.41Å; D74-R97 IonicContact OD1-NH2 2.77Å; D74-R97 PolarHBondContact OD1-NH2 2.84Å; D74-R97 WeakPolarHBondContact OD2-CB 3.47Å; D74-R97 PolarHBondContact OD2-N 2.85Å; D74-R97 IonicContact OD2-NE 3.31Å; D74-R97 PolarHBondContact OD2-NE 3.07Å; D74-K287 WeakPolarHBondContact OD1-CE 3.38Å; D74-K287 IonicContact OD1-NZ 2.74Å; D74-K287 PolarHBondContact OD1-NZ 2.96Å; D74-C288 WeakPolarHBondContact O-CB 3.42Å; D74-C288 PolarHBondContact O-N 2.8Å
75	V	98.4	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.4	178.4	-172.4	0	0	0	0	110.9	I77 L96 R97 A99 C288 I290 L460	V75-I77 HydrophobicContact CB-CD1 4.37Å; V75-I77 HydrophobicContact CG1-CD1 3.72Å; V75-I77 HydrophobicContact CG1-CG1 4.09Å; V75-L96 HydrophobicContact CG2-CD1 3.98Å; V75-R97 PolarHBondContact N-O 2.88Å; V75-A99 PolarHBondContact O-N 2.84Å; V75-C288 HydrophobicContact CG1-CB 4.48Å; V75-C288 HydrophobicContact CG2-CB 4.3Å; V75-I290 HydrophobicContact CG1-CD1 3.37Å; V75-I290 HydrophobicContact CG1-CG1 3.83Å; V75-L460 HydrophobicContact CG2-CD1 3.92Å
76	L	98.8	Very high	98	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.5	166.2	170.6	61.1	0	0	0	109.5	V78 A99 V101 A271 V284 A286 C288 V289 I290	L76-V78 HydrophobicContact CG-CG2 4.44Å; L76-A99 CarbonylContact C-O 3.55Å; L76-A99 WeakPolarHBondContact CA-O 3.5Å; L76-A99 HydrophobicContact CD1-CB 3.73Å; L76-V101 HydrophobicContact CD1-CG1 4.36Å; L76-V101 HydrophobicContact CD1-CG2 4.16Å; L76-A271 HydrophobicContact CD2-CB 3.66Å; L76-V284 HydrophobicContact CD1-CG1 4.02Å; L76-V284 HydrophobicContact CD2-CB 4.32Å; L76-V284 HydrophobicContact CD2-CG1 4.17Å; L76-A286 HydrophobicContact CB-CB 3.54Å; L76-C288 PolarHBondContact N-O 3.38Å; L76-V289 HydrophobicContact CD2-CG2 4.47Å; L76-V289 CarbonylContact O-C 3.1Å; L76-V289 WeakPolarHBondContact O-CA 3.21Å; L76-I290 PolarHBondContact O-N 3.48Å
77	I	98.9	Very high	98.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.4	175.2	-58.5	92.3	0	0	0	109.7	V75 C87 A88 T98 A99 L100 V101 I290 A292	V75-I77 HydrophobicContact CB-CD1 4.37Å; V75-I77 HydrophobicContact CG1-CD1 3.72Å; V75-I77 HydrophobicContact CG1-CG1 4.09Å; I77-C87 HydrophobicContact CG1-CB 4.02Å; I77-C87 HydrophobicContact CG2-CB 4.38Å; I77-A88 HydrophobicContact CD1-CB 4.19Å; I77-T98 HydrophobicContact CD1-CG2 3.5Å; I77-A99 VanDerWaalsContact CD1-O 3.31Å; I77-A99 WeakPolarHBondContact CD1-O 3.22Å; I77-A99 PolarHBondContact N-O 2.93Å; I77-L100 HydrophobicContact CB-CB 4.35Å; I77-L100 HydrophobicContact CB-CD1 4.23Å; I77-L100 HydrophobicContact CB-CG 4.34Å; I77-L100 HydrophobicContact CG2-CD1 4.04Å; I77-L100 HydrophobicContact CG2-CG 4.47Å; I77-L100 WeakPolarHBondContact O-CA 3.39Å; I77-V101 PolarHBondContact O-N 3.18Å; I77-I290 HydrophobicContact CG1-CB 4.3Å; I77-I290 HydrophobicContact CG1-CD1 4.3Å; I77-A292 HydrophobicContact CG2-CB 4.16Å
78	V	98.8	Very high	98.1	Very high	10 Å²	10	25.3 Å²	25.3	6%	0.061	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115	176.9	-171.2	0	0	0	0	109.4	L76 V101 V252 V289 I290 A292 T293 L300	L76-V78 HydrophobicContact CG-CG2 4.44Å; V78-V101 HydrophobicContact CG1-CG2 4.43Å; V78-V101 HydrophobicContact CG2-CG2 4.34Å; V78-V252 HydrophobicContact CB-CG2 4.47Å; V78-V252 HydrophobicContact CG1-CB 4.2Å; V78-V252 HydrophobicContact CG1-CG2 3.73Å; V78-V252 HydrophobicContact CG2-CG2 3.87Å; V78-V289 HydrophobicContact CG2-CG1 4.13Å; V78-I290 PolarHBondContact N-O 3.22Å; V78-A292 CarbonylContact O-C 3.6Å; V78-A292 VanDerWaalsContact O-C 3.3Å; V78-A292 WeakPolarHBondContact O-CA 3.31Å; V78-A292 PolarHBondContact O-N 3.33Å; V78-T293 HydrophobicContact CB-CG2 4.29Å; V78-T293 HydrophobicContact CG1-CG2 3.79Å; V78-T293 WeakPolarHBondContact O-CG2 3.41Å; V78-T293 PolarHBondContact O-N 3.09Å; V78-L300 HydrophobicContact CB-CD2 3.73Å; V78-L300 HydrophobicContact CG1-CD1 4.4Å; V78-L300 HydrophobicContact CG1-CD2 3.85Å; V78-L300 HydrophobicContact CG2-CD2 3.96Å
79	G	98.6	Very high	98.2	Very high	5 Å²	5	21.1 Å²	21.1	5%	0.052	13%	0.126	C	C	.	.			trans	112.1	123.5	-176.9	0	0	0	0	0	112.6	G84 V101	G79-G84 WeakPolarHBondContact O-CA 3.28Å; G79-V101 PolarHBondContact N-O 3.45Å
80	G	98.3	Very high	98.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.094	C	C	.	.			trans	-103.8	27.8	-178.2	0	0	0	0	0	114.3	E102 S107 N232	G80-E102 PolarHBondContact N-OE2 3.37Å; G80-S107 PolarHBondContact O-N 2.94Å; G80-S107 VanDerWaalsContact O-N 3.11Å; G80-N232 PolarHBondContact O-ND2 3.45Å
81	G	98.2	Very high	98.3	Very high	17 Å²	17	13.3 Å²	13.3	18%	0.175	8%	0.082	C	C	.	.	S	Bend	trans	-81	-178.4	165.4	0	0	0	0	0	112.2	T83 G84 A85 N232	G81-T83 VanDerWaalsContact C-N 3.25Å; G81-T83 PolarHBondContact O-N 3.21Å; G81-T83 VanDerWaalsContact O-N 3.15Å; G81-G84 PolarHBondContact O-N 3.39Å; G81-A85 WeakPolarHBondContact O-CB 3.44Å; G81-A85 PolarHBondContact O-N 3.15Å; G81-N232 PolarHBondContact O-OD1 3.42Å
82	A	97.8	Very high	98.4	Very high	3 Å²	3	8.4 Å²	8.4	3%	0.025	5%	0.05	C	C	.	.	H	α-helix	trans	-53.2	-41.7	-173.7	0	0	0	0	0	113.1	G86 S111 N232 Y443	A82-G86 PolarHBondContact O-N 3.12Å; A82-S111 PolarHBondContact N-OG 3.43Å; A82-N232 WeakPolarHBondContact CA-OD1 3.36Å; A82-N232 PolarHBondContact N-OD1 3.39Å; A82-Y443 WeakPolarHBondContact O-CD2 3.49Å
83	T	97.8	Very high	98.3	Very high	27 Å²	27	4.7 Å²	4.7	17%	0.166	3%	0.033	C	C	.	.	H	α-helix	trans	-62.3	-51.4	177.4	-53	0	0	0	0	111.9	G81 G86 C87 A292 I435	G81-T83 VanDerWaalsContact C-N 3.25Å; G81-T83 PolarHBondContact O-N 3.21Å; G81-T83 VanDerWaalsContact O-N 3.15Å; T83-G86 PolarHBondContact O-N 3.46Å; T83-C87 PolarHBondContact O-N 3.2Å; T83-C87 PolarHBondContact O-SG 3.27Å; T83-A292 HydrophobicContact CG2-CB 4.13Å; T83-I435 HydrophobicContact CG2-CB 4.23Å; T83-I435 HydrophobicContact CG2-CG1 3.54Å; T83-I435 HydrophobicContact CG2-CG2 3.56Å
84	G	98.4	Very high	98.2	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-73.3	-40.7	-176.4	0	0	0	0	0	113.2	G79 G81 G86 C87 A88 L100	G79-G84 WeakPolarHBondContact O-CA 3.28Å; G81-G84 PolarHBondContact O-N 3.39Å; G84-G86 VanDerWaalsContact C-N 3.29Å; G84-G86 PolarHBondContact O-N 3.3Å; G84-C87 WeakPolarHBondContact O-CB 3.29Å; G84-C87 PolarHBondContact O-N 2.91Å; G84-C87 VanDerWaalsContact O-N 3.17Å; G84-A88 PolarHBondContact O-N 3.45Å; G84-L100 VanDerWaalsContact C-CD1 3.48Å; G84-L100 VanDerWaalsContact O-CD1 3.28Å; G84-L100 WeakPolarHBondContact O-CD1 3.02Å
85	A	98.8	Very high	98	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-60	-41.2	172.3	0	0	0	0	0	111.2	G81 A88 L89 N232 I235 A236	G81-A85 WeakPolarHBondContact O-CB 3.44Å; G81-A85 PolarHBondContact O-N 3.15Å; A85-A88 PolarHBondContact O-N 3.46Å; A85-L89 WeakPolarHBondContact O-CB 3.47Å; A85-L89 PolarHBondContact O-N 2.95Å; A85-N232 WeakPolarHBondContact CB-OD1 3.48Å; A85-I235 VanDerWaalsContact C-CG2 3.48Å; A85-I235 HydrophobicContact CB-CB 4.27Å; A85-I235 HydrophobicContact CB-CG2 3.78Å; A85-I235 WeakPolarHBondContact O-CG2 3.47Å; A85-A236 HydrophobicContact CB-CB 4.18Å
86	G	98.5	Very high	97.9	Very high	4 Å²	4	8.8 Å²	8.8	4%	0.041	5%	0.054	C	C	.	.	H	α-helix	trans	-60.9	-45.5	172.6	0	0	0	0	0	112.7	A82 T83 G84 A88 L89 D90 A447	A82-G86 PolarHBondContact O-N 3.12Å; T83-G86 PolarHBondContact O-N 3.46Å; G84-G86 VanDerWaalsContact C-N 3.29Å; G84-G86 PolarHBondContact O-N 3.3Å; G86-A88 VanDerWaalsContact C-N 3.34Å; G86-A88 PolarHBondContact O-N 2.96Å; G86-L89 PolarHBondContact O-N 3.44Å; G86-D90 WeakPolarHBondContact O-CB 3.38Å; G86-D90 PolarHBondContact O-N 3.02Å; G86-A447 WeakPolarHBondContact O-CB 3.19Å
87	C	98.8	Very high	97.9	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60.9	-42.7	176.3	-68.7	0	0	0	0	111.6	I77 T83 G84 D90 A91 I451	I77-C87 HydrophobicContact CG1-CB 4.02Å; I77-C87 HydrophobicContact CG2-CB 4.38Å; T83-C87 PolarHBondContact O-N 3.2Å; T83-C87 PolarHBondContact O-SG 3.27Å; G84-C87 WeakPolarHBondContact O-CB 3.29Å; G84-C87 PolarHBondContact O-N 2.91Å; G84-C87 VanDerWaalsContact O-N 3.17Å; C87-D90 PolarHBondContact O-N 3.19Å; C87-A91 VanDerWaalsContact O-CB 3.24Å; C87-A91 WeakPolarHBondContact O-CB 3.29Å; C87-A91 PolarHBondContact O-N 2.93Å; C87-I451 HydrophobicContact CB-CD1 4.13Å; C87-I451 HydrophobicContact CB-CG1 4.5Å
88	A	98.8	Very high	97.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64.3	-44	178	0	0	0	0	0	112	I77 G84 A85 G86 A91 V92 T98 L100 A239	I77-A88 HydrophobicContact CD1-CB 4.19Å; G84-A88 PolarHBondContact O-N 3.45Å; A85-A88 PolarHBondContact O-N 3.46Å; G86-A88 VanDerWaalsContact C-N 3.34Å; G86-A88 PolarHBondContact O-N 2.96Å; A88-A91 PolarHBondContact O-N 2.73Å; A88-V92 WeakPolarHBondContact O-CB 3.23Å; A88-V92 VanDerWaalsContact O-CG1 3.29Å; A88-V92 WeakPolarHBondContact O-CG1 3.12Å; A88-V92 PolarHBondContact O-N 3.02Å; A88-T98 HydrophobicContact CB-CG2 4.06Å; A88-L100 HydrophobicContact CB-CB 4.11Å; A88-L100 HydrophobicContact CB-CD1 3.62Å; A88-A239 HydrophobicContact CB-CB 4.29Å
89	L	98.4	Very high	97.8	Very high	6 Å²	6	13.6 Å²	13.6	3%	0.031	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-43.2	176.7	-178.9	59.3	0	0	0	111.8	A85 G86 V92 T93 I235 T238 A239 T467 L470 L472	A85-L89 WeakPolarHBondContact O-CB 3.47Å; A85-L89 PolarHBondContact O-N 2.95Å; G86-L89 PolarHBondContact O-N 3.44Å; L89-V92 WeakPolarHBondContact O-CG1 3.35Å; L89-T93 HydrophobicContact CD1-CG2 3.99Å; L89-T93 WeakPolarHBondContact O-CB 3.27Å; L89-T93 WeakPolarHBondContact O-CG2 3.31Å; L89-T93 PolarHBondContact O-N 3.31Å; L89-T93 VanDerWaalsContact O-N 3.15Å; L89-T93 PolarHBondContact O-OG1 3.07Å; L89-I235 HydrophobicContact CB-CG2 4.19Å; L89-I235 HydrophobicContact CD2-CG2 4Å; L89-T238 HydrophobicContact CD1-CG2 3.76Å; L89-T238 HydrophobicContact CD2-CG2 4.5Å; L89-A239 HydrophobicContact CB-CB 4.09Å; L89-A239 HydrophobicContact CD1-CB 4.26Å; L89-T467 HydrophobicContact CG-CG2 4.48Å; L89-L470 HydrophobicContact CD1-CD2 4Å; L89-L470 HydrophobicContact CD2-CD2 4.37Å; L89-L470 HydrophobicContact CG-CD2 4.3Å; L89-L472 HydrophobicContact CD2-CD2 3.85Å
90	D	98.4	Very high	97.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.8	-46.9	177.6	-172.3	38.2	0	0	0	111.8	G86 C87 V92 T93 R94 Q448 I451 C465 T467	G86-D90 WeakPolarHBondContact O-CB 3.38Å; G86-D90 PolarHBondContact O-N 3.02Å; C87-D90 PolarHBondContact O-N 3.19Å; D90-V92 PolarHBondContact O-N 3.33Å; D90-T93 PolarHBondContact O-N 3.29Å; D90-T93 PolarHBondContact O-OG1 2.96Å; D90-T93 VanDerWaalsContact O-OG1 3.1Å; D90-R94 WeakPolarHBondContact O-CG 3.37Å; D90-R94 PolarHBondContact O-N 3.1Å; D90-R94 VanDerWaalsContact O-N 3.09Å; D90-R94 IonicContact OD1-CZ 3.95Å; D90-R94 IonicContact OD1-NE 3.49Å; D90-R94 PolarHBondContact OD1-NE 2.87Å; D90-R94 IonicContact OD1-NH2 2.73Å; D90-R94 IonicContact OD2-CZ 3.61Å; D90-R94 IonicContact OD2-NE 3.01Å; D90-R94 PolarHBondContact OD2-NE 3.32Å; D90-R94 IonicContact OD2-NH2 3.77Å; D90-R94 PolarHBondContact OD2-NH2 3.25Å; D90-Q448 WeakPolarHBondContact OD2-CA 3.23Å; D90-I451 HydrophobicContact CB-CG1 4.18Å; D90-I451 WeakPolarHBondContact OD2-CB 3.48Å; D90-C465 PolarHBondContact OD1-SG 3.24Å; D90-T467 HydrophobicContact CB-CG2 3.82Å
91	A	98.3	Very high	97.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.6	-49.1	178.9	0	0	0	0	0	112.2	C87 A88 T93 R94 N95 L96 T98 I451	C87-A91 VanDerWaalsContact O-CB 3.24Å; C87-A91 WeakPolarHBondContact O-CB 3.29Å; C87-A91 PolarHBondContact O-N 2.93Å; A88-A91 PolarHBondContact O-N 2.73Å; A91-T93 PolarHBondContact O-N 3.13Å; A91-R94 PolarHBondContact O-N 3.03Å; A91-N95 PolarHBondContact O-N 3.13Å; A91-L96 HydrophobicContact CB-CB 4.41Å; A91-L96 HydrophobicContact CB-CD1 4.22Å; A91-L96 WeakPolarHBondContact O-CB 3.4Å; A91-L96 PolarHBondContact O-N 3.17Å; A91-L96 VanDerWaalsContact O-N 3.12Å; A91-T98 HydrophobicContact CB-CG2 3.94Å; A91-T98 WeakPolarHBondContact CB-OG1 3.32Å; A91-I451 HydrophobicContact CB-CD1 3.9Å; A91-I451 HydrophobicContact CB-CG1 4.33Å
92	V	97.4	Very high	97.9	Very high	8 Å²	8	13.8 Å²	13.8	5%	0.048	7%	0.067	C	C	.	.	H	α-helix	trans	-67.6	-37.2	-177.4	75	0	0	0	0	112.1	A88 L89 D90 R94 N95 T98 A239 H242 A244	A88-V92 WeakPolarHBondContact O-CB 3.23Å; A88-V92 VanDerWaalsContact O-CG1 3.29Å; A88-V92 WeakPolarHBondContact O-CG1 3.12Å; A88-V92 PolarHBondContact O-N 3.02Å; L89-V92 WeakPolarHBondContact O-CG1 3.35Å; D90-V92 PolarHBondContact O-N 3.33Å; V92-R94 PolarHBondContact O-N 3.01Å; V92-N95 WeakPolarHBondContact O-CA 3.48Å; V92-N95 PolarHBondContact O-N 3.45Å; V92-T98 PolarHBondContact N-OG1 2.94Å; V92-A239 HydrophobicContact CG1-CB 4.34Å; V92-H242 HydrophobicContact CG1-CB 3.68Å; V92-H242 HydrophobicContact CG2-CB 4.11Å; V92-H242 WeakPolarHBondContact CG2-O 3.33Å; V92-A244 HydrophobicContact CB-CB 4.08Å; V92-A244 HydrophobicContact CG1-CB 4.31Å; V92-A244 HydrophobicContact CG2-CB 4.11Å
93	T	96.3	Very high	97.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-73.4	-16.6	178.2	57.5	0	0	0	0	113.2	L49 L89 D90 A91 N95 L470	L49-T93 HydrophobicContact CD2-CG2 4.42Å; L89-T93 HydrophobicContact CD1-CG2 3.99Å; L89-T93 WeakPolarHBondContact O-CB 3.27Å; L89-T93 WeakPolarHBondContact O-CG2 3.31Å; L89-T93 PolarHBondContact O-N 3.31Å; L89-T93 VanDerWaalsContact O-N 3.15Å; L89-T93 PolarHBondContact O-OG1 3.07Å; D90-T93 PolarHBondContact O-N 3.29Å; D90-T93 PolarHBondContact O-OG1 2.96Å; D90-T93 VanDerWaalsContact O-OG1 3.1Å; A91-T93 PolarHBondContact O-N 3.13Å; T93-N95 VanDerWaalsContact C-N 3.26Å; T93-L470 HydrophobicContact CG2-CD2 3.77Å
94	R	95.6	Very high	97.9	Very high	7 Å²	7	18.2 Å²	18.2	3%	0.026	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	7.6	167.2	-65.1	172.6	-174.4	-137.3	28.3	113.8	D90 A91 V92 Q448 D452 A462 R463	D90-R94 WeakPolarHBondContact O-CG 3.37Å; D90-R94 PolarHBondContact O-N 3.1Å; D90-R94 VanDerWaalsContact O-N 3.09Å; D90-R94 IonicContact OD1-CZ 3.95Å; D90-R94 IonicContact OD1-NE 3.49Å; D90-R94 PolarHBondContact OD1-NE 2.87Å; D90-R94 IonicContact OD1-NH2 2.73Å; D90-R94 IonicContact OD2-CZ 3.61Å; D90-R94 IonicContact OD2-NE 3.01Å; D90-R94 PolarHBondContact OD2-NE 3.32Å; D90-R94 IonicContact OD2-NH2 3.77Å; D90-R94 PolarHBondContact OD2-NH2 3.25Å; A91-R94 PolarHBondContact O-N 3.03Å; V92-R94 PolarHBondContact O-N 3.01Å; R94-Q448 PolarHBondContact NH2-O 3.41Å; R94-D452 IonicContact CZ-OD1 3.66Å; R94-D452 IonicContact NH1-OD1 3.49Å; R94-D452 PolarHBondContact NH1-OD1 2.81Å; R94-D452 IonicContact NH2-OD1 3.77Å; R94-D452 PolarHBondContact NH2-OD1 3.4Å; R94-A462 HydrophobicContact CB-CB 4.26Å; R94-R463 WeakPolarHBondContact CD-O 3.43Å; R94-R463 VanDerWaalsContact CG-O 3.31Å; R94-R463 WeakPolarHBondContact CG-O 3.44Å; R94-R463 PolarHBondContact O-N 3.35Å; R94-R463 VanDerWaalsContact O-N 3.11Å
95	N	95.1	Very high	97.9	Very high	91 Å²	91	18.2 Å²	18.2	49%	0.487	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	26.3	176.2	-141	63.1	0	0	0	114.2	A91 V92 T93	A91-N95 PolarHBondContact O-N 3.13Å; V92-N95 WeakPolarHBondContact O-CA 3.48Å; V92-N95 PolarHBondContact O-N 3.45Å; T93-N95 VanDerWaalsContact C-N 3.26Å
96	L	96.6	Very high	97.9	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	9%	0.086	C	C	.	.			trans	-88.3	139.1	172.7	-60.8	175.4	0	0	0	110.5	D74 V75 A91 T98 I451 V455 L460 A462	D74-L96 HydrophobicContact CB-CB 4.22Å; D74-L96 HydrophobicContact CB-CD2 4.19Å; V75-L96 HydrophobicContact CG2-CD1 3.98Å; A91-L96 HydrophobicContact CB-CB 4.41Å; A91-L96 HydrophobicContact CB-CD1 4.22Å; A91-L96 WeakPolarHBondContact O-CB 3.4Å; A91-L96 PolarHBondContact O-N 3.17Å; A91-L96 VanDerWaalsContact O-N 3.12Å; L96-T98 PolarHBondContact O-N 2.8Å; L96-T98 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-OG1 2.88Å; L96-I451 HydrophobicContact CD1-CG2 4.29Å; L96-V455 HydrophobicContact CD1-CG2 4.26Å; L96-L460 HydrophobicContact CD1-CD1 4.36Å; L96-L460 HydrophobicContact CD2-CB 4.03Å; L96-L460 HydrophobicContact CD2-CD1 4.5Å; L96-A462 HydrophobicContact CD1-CB 4.14Å; L96-A462 HydrophobicContact CD2-CB 3.99Å; L96-A462 HydrophobicContact CG-CB 4.15Å
97	R	97.4	Very high	97.9	Very high	109 Å²	109	18.1 Å²	18.1	41%	0.411	9%	0.085	S	C	.	.			trans	-68.5	112.8	169.7	-67.4	177.4	-64.3	157.7	11.7	108.3	E72 F73 D74 V75	E72-R97 PolarHBondContact O-NH1 3.33Å; E72-R97 PolarHBondContact O-NH2 3.37Å; E72-R97 VanDerWaalsContact O-NH2 3.09Å; F73-R97 HydrophobicContact CD1-CB 4.24Å; D74-R97 PolarHBondContact N-O 3.22Å; D74-R97 IonicContact OD1-NE 3.41Å; D74-R97 IonicContact OD1-NH2 2.77Å; D74-R97 PolarHBondContact OD1-NH2 2.84Å; D74-R97 WeakPolarHBondContact OD2-CB 3.47Å; D74-R97 PolarHBondContact OD2-N 2.85Å; D74-R97 IonicContact OD2-NE 3.31Å; D74-R97 PolarHBondContact OD2-NE 3.07Å; V75-R97 PolarHBondContact N-O 2.88Å
98	T	98.6	Very high	97.8	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.012	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.8	-164.3	-59.1	0	0	0	0	110.3	I77 A88 A91 V92 L96 A244 A245	I77-T98 HydrophobicContact CD1-CG2 3.5Å; A88-T98 HydrophobicContact CB-CG2 4.06Å; A91-T98 HydrophobicContact CB-CG2 3.94Å; A91-T98 WeakPolarHBondContact CB-OG1 3.32Å; V92-T98 PolarHBondContact N-OG1 2.94Å; L96-T98 PolarHBondContact O-N 2.8Å; L96-T98 VanDerWaalsContact O-N 3.13Å; L96-T98 PolarHBondContact O-OG1 2.88Å; T98-A244 HydrophobicContact CG2-CB 4.25Å; T98-A245 PolarHBondContact O-N 3.34Å
99	A	98.8	Very high	97.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.2	169.9	0	0	0	0	0	110.2	L67 F73 V75 L76 I77 A245 V284	L67-A99 HydrophobicContact CD2-CB 3.59Å; F73-A99 HydrophobicContact CB-CB 4.34Å; F73-A99 HydrophobicContact CD1-CB 3.77Å; F73-A99 HydrophobicContact CD2-CB 3.79Å; F73-A99 HydrophobicContact CE1-CB 3.93Å; F73-A99 HydrophobicContact CE2-CB 3.95Å; F73-A99 HydrophobicContact CG-CB 3.69Å; F73-A99 HydrophobicContact CZ-CB 4.01Å; V75-A99 PolarHBondContact O-N 2.84Å; L76-A99 CarbonylContact C-O 3.55Å; L76-A99 WeakPolarHBondContact CA-O 3.5Å; L76-A99 HydrophobicContact CD1-CB 3.73Å; I77-A99 VanDerWaalsContact CD1-O 3.31Å; I77-A99 WeakPolarHBondContact CD1-O 3.22Å; I77-A99 PolarHBondContact N-O 2.93Å; A99-A245 CarbonylContact C-O 3.47Å; A99-A245 VanDerWaalsContact CA-O 3.27Å; A99-A245 WeakPolarHBondContact CA-O 3.31Å; A99-V284 HydrophobicContact CB-CG1 4.16Å
100	L	98.9	Very high	97.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.3	170	179.3	148.4	0	0	0	110.7	I77 G84 A88 F106 A245 I246 A247	I77-L100 HydrophobicContact CB-CB 4.35Å; I77-L100 HydrophobicContact CB-CD1 4.23Å; I77-L100 HydrophobicContact CB-CG 4.34Å; I77-L100 HydrophobicContact CG2-CD1 4.04Å; I77-L100 HydrophobicContact CG2-CG 4.47Å; I77-L100 WeakPolarHBondContact O-CA 3.39Å; G84-L100 VanDerWaalsContact C-CD1 3.48Å; G84-L100 VanDerWaalsContact O-CD1 3.28Å; G84-L100 WeakPolarHBondContact O-CD1 3.02Å; A88-L100 HydrophobicContact CB-CB 4.11Å; A88-L100 HydrophobicContact CB-CD1 3.62Å; L100-F106 HydrophobicContact CD2-CD1 4.35Å; L100-F106 HydrophobicContact CD2-CE1 3.49Å; L100-F106 VanDerWaalsContact CD2-CE1 3.49Å; L100-F106 HydrophobicContact CD2-CZ 4.34Å; L100-A245 PolarHBondContact N-O 3.13Å; L100-I246 HydrophobicContact CB-CB 4.24Å; L100-I246 HydrophobicContact CB-CG2 3.83Å; L100-I246 HydrophobicContact CD2-CB 4.28Å; L100-I246 VanDerWaalsContact O-CA 3.32Å; L100-I246 WeakPolarHBondContact O-CA 3.42Å; L100-A247 PolarHBondContact O-N 3.41Å
101	V	98.8	Very high	97.5	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	135	176.6	-63.6	0	0	0	0	110.7	L67 L76 I77 V78 G79 T250 V252	L67-V101 HydrophobicContact CD1-CG1 4.14Å; L67-V101 HydrophobicContact CD2-CG1 4.49Å; L76-V101 HydrophobicContact CD1-CG1 4.36Å; L76-V101 HydrophobicContact CD1-CG2 4.16Å; I77-V101 PolarHBondContact O-N 3.18Å; V78-V101 HydrophobicContact CG1-CG2 4.43Å; V78-V101 HydrophobicContact CG2-CG2 4.34Å; G79-V101 PolarHBondContact N-O 3.45Å; V101-T250 HydrophobicContact CB-CG2 4.08Å; V101-T250 HydrophobicContact CG1-CG2 3.77Å; V101-V252 HydrophobicContact CG2-CG2 3.62Å
102	E	98.8	Very high	97.4	Very high	24 Å²	24	23.6 Å²	23.6	11%	0.112	13%	0.128	C	C	.	.			trans	-127	126.3	177.5	170.3	45	-127.6	0	0	109.4	G80 S104 D105 F106 A247 N248 Y249 T250	G80-E102 PolarHBondContact N-OE2 3.37Å; E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 2.96Å; E102-S104 PolarHBondContact OE1-N 3.17Å; E102-D105 WeakPolarHBondContact CG-O 3.44Å; E102-F106 HydrophobicContact CB-CD1 4.22Å; E102-F106 HydrophobicContact CB-CE1 4.12Å; E102-F106 HydrophobicContact CG-CD1 4.43Å; E102-A247 PolarHBondContact N-O 3.43Å; E102-N248 CarbonylContact O-C 3.58Å; E102-Y249 PolarHBondContact O-N 3.07Å; E102-T250 CarbonylContact C-O 3.55Å; E102-T250 VanDerWaalsContact C-O 3.24Å; E102-T250 PolarHBondContact O-N 3.11Å
103	R	98	Very high	97.4	Very high	85 Å²	85	23.9 Å²	23.9	32%	0.321	13%	0.128	S	C	.	.	S	Bend	trans	-62.4	-41	-176.3	-179.3	-179.6	67.5	-176.8	-3.1	111.9	Y249 T250 E251 I276	R103-Y249 WeakPolarHBondContact O-CA 3.42Å; R103-T250 PolarHBondContact N-O 3.27Å; R103-E251 HydrophobicContact CB-CB 4.41Å; R103-E251 HydrophobicContact CB-CG 4.45Å; R103-E251 WeakPolarHBondContact CD-OE1 3.37Å; R103-E251 HydrophobicContact CG-CB 3.9Å; R103-E251 HydrophobicContact CG-CG 3.83Å; R103-I276 HydrophobicContact CG-CD1 3.81Å; R103-I276 WeakPolarHBondContact O-CD1 3.32Å
104	S	97.5	Very high	97.3	Very high	39 Å²	39	25.1 Å²	25.1	27%	0.273	14%	0.137	S	C	.	.	S	Bend	trans	-109.3	-141.5	-179.2	-61.9	0	0	0	0	109.2	E102 S108 N248 Y249	E102-S104 VanDerWaalsContact C-N 3.34Å; E102-S104 PolarHBondContact O-N 2.96Å; E102-S104 PolarHBondContact OE1-N 3.17Å; S104-S108 WeakPolarHBondContact CB-OG 3.39Å; S104-N248 WeakPolarHBondContact O-CB 3.26Å; S104-Y249 PolarHBondContact O-N 2.71Å
105	D	98.5	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-85.5	158.3	170.3	-171.5	29.4	0	0	0	111.9	E102 S107 S108 N248 Y249 D553 R557 R558	E102-D105 WeakPolarHBondContact CG-O 3.44Å; D105-S107 PolarHBondContact O-N 2.61Å; D105-S108 WeakPolarHBondContact O-CB 3.09Å; D105-S108 PolarHBondContact O-N 3.09Å; D105-S108 PolarHBondContact O-OG 3.03Å; D105-N248 PolarHBondContact OD1-ND2 2.93Å; D105-Y249 HydrophobicContact CB-CE2 4.04Å; D105-D553 WeakPolarHBondContact CB-OD1 3.37Å; D105-D553 VanDerWaalsContact CG-OD1 3.23Å; D105-R557 VanDerWaalsContact OD2-CD 3.29Å; D105-R557 WeakPolarHBondContact OD2-CD 3.45Å; D105-R557 IonicContact OD2-CZ 2.74Å; D105-R557 IonicContact OD2-NE 3.53Å; D105-R557 PolarHBondContact OD2-NE 3.35Å; D105-R557 IonicContact OD2-NH2 3.81Å; D105-R558 IonicContact OD1-CZ 2.82Å; D105-R558 IonicContact OD1-NH1 2.72Å; D105-R558 IonicContact OD1-NH2 3.21Å; D105-R558 PolarHBondContact OD1-NH2 3.32Å; D105-R558 VanDerWaalsContact OD1-NH2 3.11Å; D105-R558 IonicContact OD2-CZ 3.73Å; D105-R558 IonicContact OD2-NH1 2.88Å; D105-R558 PolarHBondContact OD2-NH1 3.28Å; D105-R558 IonicContact OD2-NH2 3.82Å; D105-R558 PolarHBondContact OD2-NH2 3.16Å
106	F	98.6	Very high	97.3	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135.3	171	-64.6	-59.9	0	0	0	110.1	L100 E102 S108 L233 A236 I246 N248 Y547 R557	L100-F106 HydrophobicContact CD2-CD1 4.35Å; L100-F106 HydrophobicContact CD2-CE1 3.49Å; L100-F106 VanDerWaalsContact CD2-CE1 3.49Å; L100-F106 HydrophobicContact CD2-CZ 4.34Å; E102-F106 HydrophobicContact CB-CD1 4.22Å; E102-F106 HydrophobicContact CB-CE1 4.12Å; E102-F106 HydrophobicContact CG-CD1 4.43Å; F106-S108 PolarHBondContact O-N 3.3Å; F106-L233 HydrophobicContact CB-CD1 4.43Å; F106-L233 HydrophobicContact CD2-CD1 4.29Å; F106-A236 HydrophobicContact CD1-CB 4.31Å; F106-A236 HydrophobicContact CG-CB 4.42Å; F106-I246 HydrophobicContact CE2-CD1 4.41Å; F106-I246 HydrophobicContact CZ-CB 4.28Å; F106-I246 HydrophobicContact CZ-CD1 3.98Å; F106-I246 HydrophobicContact CZ-CG1 4.04Å; F106-N248 HydrophobicContact CD2-CB 3.89Å; F106-N248 HydrophobicContact CE1-CB 4.35Å; F106-N248 HydrophobicContact CE2-CB 3.69Å; F106-N248 HydrophobicContact CG-CB 4.33Å; F106-N248 HydrophobicContact CZ-CB 3.95Å; F106-Y547 AromaticContact CE2-CD2 3.82Å; F106-Y547 HydrophobicContact CE2-CD2 3.82Å; F106-R557 VanDerWaalsContact O-CD 3.26Å; F106-R557 WeakPolarHBondContact O-CD 3.32Å
107	S	97.7	Very high	97.1	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	6.4	-176	-154.6	0	0	0	0	116.8	G80 D105 G109 S111 S112 A229 N232	G80-S107 PolarHBondContact O-N 2.94Å; G80-S107 VanDerWaalsContact O-N 3.11Å; D105-S107 PolarHBondContact O-N 2.61Å; S107-G109 VanDerWaalsContact C-N 3.27Å; S107-G109 PolarHBondContact O-N 3.01Å; S107-S111 WeakPolarHBondContact OG-CB 3.49Å; S107-S111 PolarHBondContact OG-O 2.99Å; S107-S112 WeakPolarHBondContact O-CB 3.34Å; S107-S112 PolarHBondContact O-N 2.96Å; S107-S112 PolarHBondContact O-OG 2.79Å; S107-S112 PolarHBondContact OG-N 3.29Å; S107-A229 WeakPolarHBondContact OG-CA 3.26Å; S107-N232 WeakPolarHBondContact CA-ND2 3.5Å; S107-N232 VanDerWaalsContact CB-ND2 3.33Å; S107-N232 WeakPolarHBondContact CB-ND2 3.5Å; S107-N232 PolarHBondContact N-ND2 3.37Å; S107-N232 VanDerWaalsContact N-ND2 3.1Å
108	S	97.1	Very high	96.9	Very high	24 Å²	24	16.8 Å²	16.8	17%	0.168	10%	0.102	C	C	.	.			trans	-58.5	-32.5	-176.6	57.5	0	0	0	0	114.9	S104 D105 F106	S104-S108 WeakPolarHBondContact CB-OG 3.39Å; D105-S108 WeakPolarHBondContact O-CB 3.09Å; D105-S108 PolarHBondContact O-N 3.09Å; D105-S108 PolarHBondContact O-OG 3.03Å; F106-S108 PolarHBondContact O-N 3.3Å
109	G	95.9	Very high	96.3	Very high	38 Å²	38	19.2 Å²	19.2	39%	0.392	11%	0.113	S	C	.	.	S	Bend	trans	-78.8	-143.6	175.9	0	0	0	0	0	114.3	S107 S111 S112	S107-G109 VanDerWaalsContact C-N 3.27Å; S107-G109 PolarHBondContact O-N 3.01Å; G109-S111 PolarHBondContact O-N 3.32Å; G109-S111 VanDerWaalsContact O-N 3.08Å; G109-S112 PolarHBondContact O-N 3.38Å; G109-S112 PolarHBondContact O-OG 3.43Å
110	T	96.5	Very high	95.1	Very high	38 Å²	38	19.2 Å²	19.2	23%	0.233	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-54.7	-32.1	-174.6	-47.7	0	0	0	0	114	S112 R113 P295 I404	T110-S112 PolarHBondContact O-N 3.32Å; T110-S112 VanDerWaalsContact O-N 3.09Å; T110-R113 PolarHBondContact O-N 3.08Å; T110-P295 WeakPolarHBondContact OG1-CD 3.1Å; T110-P295 VanDerWaalsContact OG1-CG 3.28Å; T110-P295 WeakPolarHBondContact OG1-CG 3.32Å; T110-I404 WeakPolarHBondContact CB-O 3.2Å; T110-I404 WeakPolarHBondContact CG2-O 3.36Å; T110-I404 PolarHBondContact OG1-O 3.48Å
111	S	97.3	Very high	94	Very high	20 Å²	20	19.7 Å²	19.7	14%	0.14	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-66.2	-9.8	-175.5	-57.5	0	0	0	0	115.1	A82 S107 G109 D228	A82-S111 PolarHBondContact N-OG 3.43Å; S107-S111 WeakPolarHBondContact OG-CB 3.49Å; S107-S111 PolarHBondContact OG-O 2.99Å; G109-S111 PolarHBondContact O-N 3.32Å; G109-S111 VanDerWaalsContact O-N 3.08Å; S111-D228 VanDerWaalsContact O-CB 3.29Å; S111-D228 WeakPolarHBondContact O-CB 3.34Å; S111-D228 VanDerWaalsContact O-CG 3.29Å
112	S	97.1	Very high	93.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-108	3.2	171.8	61.8	0	0	0	0	114.4	S107 G109 T110 K116 R560 F563	S107-S112 WeakPolarHBondContact O-CB 3.34Å; S107-S112 PolarHBondContact O-N 2.96Å; S107-S112 PolarHBondContact O-OG 2.79Å; S107-S112 PolarHBondContact OG-N 3.29Å; G109-S112 PolarHBondContact O-N 3.38Å; G109-S112 PolarHBondContact O-OG 3.43Å; T110-S112 PolarHBondContact O-N 3.32Å; T110-S112 VanDerWaalsContact O-N 3.09Å; S112-K116 PolarHBondContact O-NZ 3.41Å; S112-R560 PolarHBondContact O-NH2 2.84Å; S112-F563 WeakPolarHBondContact O-CE1 3.36Å
113	R	96.6	Very high	92.1	Very high	14 Å²	14	26.2 Å²	26.2	5%	0.053	15%	0.146	C	C	.	.	S	Bend	trans	-125.8	26.3	-168.8	-65.9	169.7	178.2	-98.3	1.8	112.1	T110 D228 W401 S402 F563 E605	T110-R113 PolarHBondContact O-N 3.08Å; R113-D228 PolarHBondContact N-OD2 3.35Å; R113-W401 PolarHBondContact O-NE1 2.72Å; R113-S402 VanDerWaalsContact CD-O 3.27Å; R113-S402 WeakPolarHBondContact CD-O 3.45Å; R113-S402 PolarHBondContact NH1-O 3.21Å; R113-F563 HydrophobicContact CG-CE1 4.15Å; R113-F563 HydrophobicContact CG-CZ 4.11Å; R113-E605 IonicContact CZ-OE2 2.74Å; R113-E605 IonicContact NH1-OE2 2.76Å; R113-E605 IonicContact NH2-OE2 3.22Å; R113-E605 PolarHBondContact NH2-OE2 2.99Å
114	S	94.8	Very high	91.1	Very high	27 Å²	27	25.8 Å²	25.8	19%	0.189	15%	0.145	C	C	.	.	S	Bend	trans	-79.5	-175.6	177.7	74.7	0	0	0	0	112.3	K116 D228	S114-K116 WeakPolarHBondContact O-CD 3.45Å; S114-K116 VanDerWaalsContact O-CE 3.24Å; S114-K116 WeakPolarHBondContact O-CE 3.43Å; S114-K116 PolarHBondContact O-N 3.23Å; S114-K116 PolarHBondContact OG-N 3.06Å; S114-D228 WeakPolarHBondContact CB-OD2 3.5Å; S114-D228 PolarHBondContact N-OD2 3.36Å; S114-D228 VanDerWaalsContact N-OD2 3.11Å; S114-D228 PolarHBondContact OG-OD2 3.16Å
115	T	94.3	Very high	90.2	Very high	27 Å²	27	24.1 Å²	24.1	17%	0.166	13%	0.133	C	C	.	.			trans	-77.1	-2.9	167.6	-52	0	0	0	0	112.9	L117 H319 F345 L347	T115-L117 HydrophobicContact CG2-CD1 4.14Å; T115-L117 HydrophobicContact CG2-CG 4.27Å; T115-L117 PolarHBondContact O-N 2.94Å; T115-H319 WeakPolarHBondContact CA-NE2 3.46Å; T115-H319 PolarHBondContact OG1-NE2 3.43Å; T115-F345 HydrophobicContact CG2-CB 4.48Å; T115-F345 HydrophobicContact CG2-CD2 4.46Å; T115-L347 HydrophobicContact CG2-CD1 3.62Å
116	K	95.2	Very high	89.4	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	64.9	28.9	-178.9	-66.2	57.5	166.7	73.6	0	111.7	S112 S114 Q225 H226 D228 W349 I354 W401 R560	S112-K116 PolarHBondContact O-NZ 3.41Å; S114-K116 WeakPolarHBondContact O-CD 3.45Å; S114-K116 VanDerWaalsContact O-CE 3.24Å; S114-K116 WeakPolarHBondContact O-CE 3.43Å; S114-K116 PolarHBondContact O-N 3.23Å; S114-K116 PolarHBondContact OG-N 3.06Å; K116-Q225 WeakPolarHBondContact O-CA 3.49Å; K116-Q225 WeakPolarHBondContact O-CG 3.48Å; K116-H226 WeakPolarHBondContact CB-O 3.39Å; K116-H226 PolarHBondContact O-CD2 2.9Å; K116-H226 PolarHBondContact O-N 3.37Å; K116-H226 VanDerWaalsContact O-N 3.15Å; K116-D228 IonicContact NZ-OD1 3.18Å; K116-D228 PolarHBondContact NZ-OD1 2.85Å; K116-D228 IonicContact NZ-OD2 3.28Å; K116-D228 PolarHBondContact NZ-OD2 3.23Å; K116-W349 HydrophobicContact CG-CD2 4.43Å; K116-W349 HydrophobicContact CG-CZ2 4.03Å; K116-I354 HydrophobicContact CB-CD1 4.42Å; K116-I354 HydrophobicContact CD-CD1 4.25Å; K116-I354 HydrophobicContact CG-CD1 4.27Å; K116-W401 HydrophobicContact CD-CZ2 4.25Å; K116-R560 VanDerWaalsContact NZ-NH2 3.13Å
117	L	93.8	Very high	88.4	Confident	10 Å²	10	32 Å²	32	5%	0.052	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.5	175.9	-69.5	-178	0	0	0	111.9	T115 H119 L161 I163 G224 Q225 F345 L347	T115-L117 HydrophobicContact CG2-CD1 4.14Å; T115-L117 HydrophobicContact CG2-CG 4.27Å; T115-L117 PolarHBondContact O-N 2.94Å; L117-H119 WeakPolarHBondContact CB-NE2 3.35Å; L117-H119 WeakPolarHBondContact CD1-CE1 3.39Å; L117-H119 WeakPolarHBondContact CD1-NE2 3.39Å; L117-L161 HydrophobicContact CD2-CD2 3.74Å; L117-I163 HydrophobicContact CD1-CD1 4.39Å; L117-G224 CarbonylContact C-O 3.51Å; L117-G224 WeakPolarHBondContact CA-O 3.46Å; L117-G224 WeakPolarHBondContact CD2-O 3.3Å; L117-Q225 HydrophobicContact CD2-CB 4.06Å; L117-Q225 HydrophobicContact CD2-CG 4.12Å; L117-F345 HydrophobicContact CD1-CD1 3.96Å; L117-F345 HydrophobicContact CD1-CE1 4.15Å; L117-F345 HydrophobicContact CD1-CG 4.27Å; L117-L347 HydrophobicContact CD1-CD1 3.43Å; L117-L347 VanDerWaalsContact CD1-CD1 3.43Å; L117-L347 HydrophobicContact CD1-CD2 3.85Å; L117-L347 HydrophobicContact CD1-CG 4.28Å; L117-L347 HydrophobicContact CD2-CD1 4Å; L117-L347 HydrophobicContact CD2-CD2 4.29Å; L117-L347 HydrophobicContact CG-CD1 3.57Å; L117-L347 HydrophobicContact CG-CD2 4.48Å
118	I	92.4	Very high	87.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	81.2	169.8	-51.8	168.9	0	0	0	106.9	R147 L150 L151 G224 H226 W440 T441	I118-R147 HydrophobicContact CB-CG 4.28Å; I118-R147 HydrophobicContact CG2-CB 3.76Å; I118-R147 HydrophobicContact CG2-CG 3.71Å; I118-R147 WeakPolarHBondContact O-CD 3.11Å; I118-L150 HydrophobicContact CD1-CB 4.01Å; I118-L150 HydrophobicContact CD1-CD1 4.09Å; I118-L150 HydrophobicContact CG1-CD1 4.39Å; I118-L150 HydrophobicContact CG2-CD1 3.69Å; I118-L151 HydrophobicContact CD1-CD1 4.06Å; I118-G224 PolarHBondContact N-O 3.02Å; I118-G224 PolarHBondContact O-N 2.98Å; I118-H226 HydrophobicContact CD1-CB 3.7Å; I118-H226 HydrophobicContact CG1-CB 4.09Å; I118-W440 HydrophobicContact CD1-CZ3 4.13Å; I118-W440 HydrophobicContact CG1-CE3 4.33Å; I118-W440 HydrophobicContact CG1-CZ3 3.97Å; I118-T441 HydrophobicContact CG2-CG2 3.58Å
119	H	85.8	Confident	86.8	Confident	52 Å²	52	35.2 Å²	35.2	24%	0.241	18%	0.183	C	C	.	.			trans	-76.7	137	-176.5	-70	-67.1	0	0	0	112.6	L117 D223 F345 T441	L117-H119 WeakPolarHBondContact CB-NE2 3.35Å; L117-H119 WeakPolarHBondContact CD1-CE1 3.39Å; L117-H119 WeakPolarHBondContact CD1-NE2 3.39Å; H119-D223 WeakPolarHBondContact CA-OD1 3.35Å; H119-D223 IonicContact CE1-OD2 3.32Å; H119-D223 IonicContact CG-OD2 3.09Å; H119-D223 IonicContact ND1-OD2 2.7Å; H119-D223 PolarHBondContact ND1-OD2 3.4Å; H119-F345 AromaticContact CE1-CE1 3.7Å; H119-F345 AromaticContact CE1-CE2 3.96Å; H119-F345 AromaticContact CE1-CZ 3.41Å; H119-F345 VanDerWaalsContact CE1-CZ 3.41Å; H119-F345 WeakPolarHBondContact CE1-CZ 3.38Å; H119-F345 AromaticContact NE2-CZ 3.94Å; H119-T441 PolarHBondContact N-OG1 3.37Å; H119-T441 PolarHBondContact O-OG1 3.2Å
120	G	72.9	Confident	86.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.196	C	C	.	.			trans	-91.5	2.6	167.7	0	0	0	0	0	114.6	Y183 D223	G120-Y183 VanDerWaalsContact C-OH 3.3Å; G120-Y183 WeakPolarHBondContact CA-OH 3.34Å; G120-D223 PolarHBondContact N-OD1 2.9Å
121	G	77.2	Confident	85.6	Confident	11 Å²	11	45 Å²	45	11%	0.113	22%	0.215	C	C	.	.			trans	85.6	43.5	164.5	0	0	0	0	0	117.5	R123 Y124 L125	G121-R123 VanDerWaalsContact C-N 3.26Å; G121-R123 PolarHBondContact O-N 3.36Å; G121-R123 VanDerWaalsContact O-N 3.15Å; G121-Y124 WeakPolarHBondContact O-CA 3.37Å; G121-Y124 WeakPolarHBondContact O-CB 3.5Å; G121-Y124 PolarHBondContact O-N 3.03Å; G121-L125 PolarHBondContact O-N 3.48Å; G121-L125 VanDerWaalsContact O-N 3.12Å
122	V	79.4	Confident	84.9	Confident	38 Å²	38	51.7 Å²	51.7	23%	0.23	25%	0.249	C	C	.	.	H	α-helix	trans	-48.6	-43.3	179.3	-175.7	0	0	0	0	113.3	Y124 L125 Q126 Y183 Y221	V122-Y124 VanDerWaalsContact C-N 3.33Å; V122-Y124 PolarHBondContact O-N 2.94Å; V122-L125 WeakPolarHBondContact O-CB 3.18Å; V122-L125 PolarHBondContact O-N 2.96Å; V122-Q126 PolarHBondContact O-N 3.25Å; V122-Q126 VanDerWaalsContact O-N 3.14Å; V122-Y183 HydrophobicContact CB-CD2 4.23Å; V122-Y183 HydrophobicContact CB-CE2 4.35Å; V122-Y183 HydrophobicContact CG2-CD1 3.95Å; V122-Y183 HydrophobicContact CG2-CD2 3.75Å; V122-Y183 HydrophobicContact CG2-CE1 3.84Å; V122-Y183 HydrophobicContact CG2-CE2 3.65Å; V122-Y183 HydrophobicContact CG2-CG 3.89Å; V122-Y221 HydrophobicContact CG2-CD2 4.28Å; V122-Y221 HydrophobicContact CG2-CE2 3.96Å
123	R	77.8	Confident	84.3	Confident	124 Å²	124	53.9 Å²	53.9	47%	0.468	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-31	179.9	-156.5	179.7	-171.7	-171.1	7	112.9	G121 K127 G341	G121-R123 VanDerWaalsContact C-N 3.26Å; G121-R123 PolarHBondContact O-N 3.36Å; G121-R123 VanDerWaalsContact O-N 3.15Å; R123-K127 PolarHBondContact O-N 2.88Å; R123-G341 PolarHBondContact NH2-O 2.95Å; R123-G341 VanDerWaalsContact NH2-O 3.17Å
124	Y	75.9	Confident	83.7	Confident	77 Å²	77	60.8 Å²	60.8	30%	0.302	29%	0.288	S	S	.	.	H	α-helix	trans	-71.1	-37.6	173.9	-63.3	-72.2	0	0	0	110.7	G121 V122 Q126 K127 A128 M139 K439	G121-Y124 WeakPolarHBondContact O-CA 3.37Å; G121-Y124 WeakPolarHBondContact O-CB 3.5Å; G121-Y124 PolarHBondContact O-N 3.03Å; V122-Y124 VanDerWaalsContact C-N 3.33Å; V122-Y124 PolarHBondContact O-N 2.94Å; Y124-Q126 VanDerWaalsContact C-N 3.33Å; Y124-Q126 PolarHBondContact O-N 2.82Å; Y124-K127 PolarHBondContact O-N 2.72Å; Y124-A128 VanDerWaalsContact O-CB 3.31Å; Y124-A128 WeakPolarHBondContact O-CB 3.33Å; Y124-A128 PolarHBondContact O-N 2.96Å; Y124-M139 HydrophobicContact CD1-SD 4.49Å; Y124-K439 VanDerWaalsContact CE2-NZ 3.26Å; Y124-K439 PolarHBondContact OH-NZ 3.36Å
125	L	80.1	Confident	83	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-61.2	-42.8	175	-177.4	61.5	0	0	0	111.7	G121 V122 K127 A128 I129 Y137 V140 M182 Y183 V186	G121-L125 PolarHBondContact O-N 3.48Å; G121-L125 VanDerWaalsContact O-N 3.12Å; V122-L125 WeakPolarHBondContact O-CB 3.18Å; V122-L125 PolarHBondContact O-N 2.96Å; L125-K127 PolarHBondContact O-N 2.92Å; L125-A128 PolarHBondContact O-N 2.89Å; L125-I129 HydrophobicContact CD1-CD1 3.86Å; L125-I129 HydrophobicContact CD1-CG1 4.12Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 HydrophobicContact CG-CG1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.24Å; L125-I129 PolarHBondContact O-N 2.81Å; L125-Y137 HydrophobicContact CD1-CD2 4.07Å; L125-Y137 HydrophobicContact CD1-CE2 4.41Å; L125-V140 HydrophobicContact CB-CG1 4.35Å; L125-V140 HydrophobicContact CB-CG2 4.18Å; L125-M182 HydrophobicContact CD2-CG 4.42Å; L125-Y183 HydrophobicContact CD2-CD2 3.84Å; L125-Y183 HydrophobicContact CD2-CG 4.35Å; L125-V186 HydrophobicContact CD1-CG1 4.39Å; L125-V186 HydrophobicContact CD1-CG2 4.05Å; L125-V186 HydrophobicContact CD2-CB 4.22Å; L125-V186 HydrophobicContact CD2-CG2 4.06Å
126	Q	80.2	Confident	82.4	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-56.4	-49	174.8	-174.8	-172.8	7.6	0	0	111.3	V122 Y124 M130 Y175	V122-Q126 PolarHBondContact O-N 3.25Å; V122-Q126 VanDerWaalsContact O-N 3.14Å; Y124-Q126 VanDerWaalsContact C-N 3.33Å; Y124-Q126 PolarHBondContact O-N 2.82Å; Q126-M130 HydrophobicContact CG-SD 3.81Å; Q126-M130 WeakPolarHBondContact O-CB 3.33Å; Q126-M130 WeakPolarHBondContact O-CG 3.4Å; Q126-M130 PolarHBondContact O-N 2.85Å; Q126-Y175 PolarHBondContact NE2-OH 2.82Å
127	K	77.9	Confident	82	Confident	85 Å²	85	69.1 Å²	69.1	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-65.2	-40.8	177.4	-73.5	-178.5	-179.5	179.1	0	112.4	R123 Y124 L125 I129 M130 K131 Q136	R123-K127 PolarHBondContact O-N 2.88Å; Y124-K127 PolarHBondContact O-N 2.72Å; L125-K127 PolarHBondContact O-N 2.92Å; K127-I129 PolarHBondContact O-N 3.28Å; K127-M130 PolarHBondContact O-N 2.96Å; K127-K131 VanDerWaalsContact O-CB 3.29Å; K127-K131 WeakPolarHBondContact O-CB 3.29Å; K127-K131 PolarHBondContact O-N 3.44Å; K127-Q136 VanDerWaalsContact CB-OE1 3.31Å
128	A	80.1	Confident	81.6	Confident	5 Å²	5	71.9 Å²	71.9	4%	0.041	33%	0.333	C	S	.	.	H	α-helix	trans	-59	-46.3	179	0	0	0	0	0	111.4	Y124 L125 L132 D133 Q136	Y124-A128 VanDerWaalsContact O-CB 3.31Å; Y124-A128 WeakPolarHBondContact O-CB 3.33Å; Y124-A128 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 2.89Å; A128-L132 CarbonylContact O-C 3.59Å; A128-L132 WeakPolarHBondContact O-CA 3.37Å; A128-L132 PolarHBondContact O-N 2.73Å; A128-D133 PolarHBondContact O-N 3.32Å; A128-Q136 HydrophobicContact CB-CB 3.81Å
129	I	81.2	Confident	81.2	Confident	86 Å²	86	72.6 Å²	72.6	44%	0.441	34%	0.336	S	S	.	.	H	α-helix	trans	-69.7	-48.2	178.4	-64.8	170.1	0	0	0	110.6	L125 K127 K131 L132 M182	L125-I129 HydrophobicContact CD1-CD1 3.86Å; L125-I129 HydrophobicContact CD1-CG1 4.12Å; L125-I129 HydrophobicContact CG-CD1 3.88Å; L125-I129 HydrophobicContact CG-CG1 4.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.24Å; L125-I129 PolarHBondContact O-N 2.81Å; K127-I129 PolarHBondContact O-N 3.28Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.82Å; I129-L132 PolarHBondContact O-N 2.84Å; I129-M182 HydrophobicContact CD1-CG 3.6Å
130	M	82	Confident	81.2	Confident	136 Å²	136	70.1 Å²	70.1	67%	0.67	33%	0.325	S	S	*	.	H	α-helix	trans	-66.3	-29	-176.4	-70.8	-179.9	73.9	0	0	113.5	Q126 K127	Q126-M130 HydrophobicContact CG-SD 3.81Å; Q126-M130 WeakPolarHBondContact O-CB 3.33Å; Q126-M130 WeakPolarHBondContact O-CG 3.4Å; Q126-M130 PolarHBondContact O-N 2.85Å; K127-M130 PolarHBondContact O-N 2.96Å
131	K	86.1	Confident	82	Confident	146 Å²	146	74.1 Å²	74.1	64%	0.635	34%	0.342	S	S	*	.	H	α-helix	trans	-109.1	3.9	-178.5	-60	-170.4	174.6	-165.2	0	113.8	K127 I129 D133	K127-K131 VanDerWaalsContact O-CB 3.29Å; K127-K131 WeakPolarHBondContact O-CB 3.29Å; K127-K131 PolarHBondContact O-N 3.44Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 2.82Å; K131-D133 HydrophobicContact CB-CB 4.43Å; K131-D133 PolarHBondContact O-N 3.33Å
132	L	82.7	Confident	82.6	Confident	161 Å²	161	76 Å²	76	84%	0.843	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	40.9	-173.8	-59.5	173.1	0	0	0	112.8	A128 I129 Y134	A128-L132 CarbonylContact O-C 3.59Å; A128-L132 WeakPolarHBondContact O-CA 3.37Å; A128-L132 PolarHBondContact O-N 2.73Å; I129-L132 PolarHBondContact O-N 2.84Å; L132-Y134 PolarHBondContact O-N 2.84Å
133	D	83.2	Confident	83.1	Confident	47 Å²	47	74.6 Å²	74.6	25%	0.251	34%	0.34	S	S	.	.			trans	-91.9	101.7	-175.8	-176.8	-27.5	0	0	0	110	A128 K131 E135 Q136 Y137	A128-D133 PolarHBondContact O-N 3.32Å; K131-D133 HydrophobicContact CB-CB 4.43Å; K131-D133 PolarHBondContact O-N 3.33Å; D133-E135 PolarHBondContact OD1-N 2.9Å; D133-E135 VanDerWaalsContact OD1-N 3.17Å; D133-Q136 HydrophobicContact CB-CB 4.27Å; D133-Q136 HydrophobicContact CB-CG 4.48Å; D133-Q136 PolarHBondContact OD1-N 3.21Å; D133-Q136 WeakPolarHBondContact OD2-CG 3.27Å; D133-Q136 PolarHBondContact OD2-NE2 3.03Å; D133-Y137 PolarHBondContact O-N 3.37Å
134	Y	84.5	Confident	83.7	Confident	159 Å²	159	68.8 Å²	68.8	62%	0.624	32%	0.318	S	S	*	.	H	α-helix	trans	-66.6	-35	-177.2	-178.6	-101.1	0	0	0	113.2	L132 Y137 M138	L132-Y134 PolarHBondContact O-N 2.84Å; Y134-Y137 WeakPolarHBondContact O-CB 3.42Å; Y134-Y137 PolarHBondContact O-N 3.3Å; Y134-M138 HydrophobicContact CD1-CG 4.32Å; Y134-M138 HydrophobicContact CE1-CE 4.12Å; Y134-M138 HydrophobicContact CE1-CG 3.9Å; Y134-M138 HydrophobicContact CE2-CE 3.57Å; Y134-M138 HydrophobicContact CE2-CG 4.49Å; Y134-M138 PolarHBondContact O-N 2.78Å; Y134-M138 WeakPolarHBondContact OH-CE 3.47Å
135	E	81.2	Confident	84.4	Confident	154 Å²	154	68.5 Å²	68.5	72%	0.72	32%	0.32	S	S	*	.	H	α-helix	trans	-66.8	-43.9	179.7	-65.2	-174.3	167.6	0	0	110.7	D133 Y137 M138 M139	D133-E135 PolarHBondContact OD1-N 2.9Å; D133-E135 VanDerWaalsContact OD1-N 3.17Å; E135-Y137 VanDerWaalsContact C-N 3.28Å; E135-Y137 PolarHBondContact O-N 2.97Å; E135-M138 PolarHBondContact O-N 3.18Å; E135-M139 PolarHBondContact O-N 2.86Å
136	Q	81.1	Confident	85.1	Confident	3 Å²	3	68.3 Å²	68.3	1%	0.014	32%	0.319	C	S	.	.	H	α-helix	trans	-62.9	-35	173.4	-78.2	-171.8	71.8	0	0	112.6	K127 A128 D133 M139 V140 R421	K127-Q136 VanDerWaalsContact CB-OE1 3.31Å; A128-Q136 HydrophobicContact CB-CB 3.81Å; D133-Q136 HydrophobicContact CB-CB 4.27Å; D133-Q136 HydrophobicContact CB-CG 4.48Å; D133-Q136 PolarHBondContact OD1-N 3.21Å; D133-Q136 WeakPolarHBondContact OD2-CG 3.27Å; D133-Q136 PolarHBondContact OD2-NE2 3.03Å; Q136-M139 PolarHBondContact O-N 3.18Å; Q136-V140 WeakPolarHBondContact O-CG2 3.28Å; Q136-V140 PolarHBondContact O-N 2.86Å; Q136-V140 VanDerWaalsContact O-N 3.13Å; Q136-R421 VanDerWaalsContact CD-NH1 3.29Å
137	Y	86.1	Confident	85.8	Confident	71 Å²	71	64.5 Å²	64.5	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-42.9	175.2	177.1	-109.3	0	0	0	112.1	L125 D133 Y134 E135 V140 K141 V186	L125-Y137 HydrophobicContact CD1-CD2 4.07Å; L125-Y137 HydrophobicContact CD1-CE2 4.41Å; D133-Y137 PolarHBondContact O-N 3.37Å; Y134-Y137 WeakPolarHBondContact O-CB 3.42Å; Y134-Y137 PolarHBondContact O-N 3.3Å; E135-Y137 VanDerWaalsContact C-N 3.28Å; E135-Y137 PolarHBondContact O-N 2.97Å; Y137-V140 WeakPolarHBondContact O-CB 3.45Å; Y137-V140 PolarHBondContact O-N 2.8Å; Y137-K141 HydrophobicContact CE1-CD 4.1Å; Y137-K141 PolarHBondContact O-N 3.25Å; Y137-K141 VanDerWaalsContact O-N 3.13Å; Y137-K141 WeakPolarHBondContact OH-CE 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.7Å; Y137-K141 VanDerWaalsContact OH-NZ 3.1Å; Y137-V186 HydrophobicContact CE2-CG1 3.86Å; Y137-V186 HydrophobicContact CE2-CG2 4.04Å
138	M	85.9	Confident	86.4	Confident	69 Å²	69	61.7 Å²	61.7	34%	0.34	29%	0.293	S	S	.	.	H	α-helix	trans	-66.1	-38	176.3	-73.6	-55.1	176.8	0	0	112.6	Y134 E135 V140 K141 E142	Y134-M138 HydrophobicContact CD1-CG 4.32Å; Y134-M138 HydrophobicContact CE1-CE 4.12Å; Y134-M138 HydrophobicContact CE1-CG 3.9Å; Y134-M138 HydrophobicContact CE2-CE 3.57Å; Y134-M138 HydrophobicContact CE2-CG 4.49Å; Y134-M138 PolarHBondContact O-N 2.78Å; Y134-M138 WeakPolarHBondContact OH-CE 3.47Å; E135-M138 PolarHBondContact O-N 3.18Å; M138-V140 VanDerWaalsContact C-N 3.28Å; M138-V140 PolarHBondContact O-N 3.35Å; M138-K141 PolarHBondContact O-N 2.88Å; M138-K141 VanDerWaalsContact O-N 3.14Å; M138-K141 HydrophobicContact SD-CD 4.08Å; M138-E142 PolarHBondContact O-N 2.94Å
139	M	83.5	Confident	87	Confident	14 Å²	14	61.8 Å²	61.8	7%	0.069	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-40.3	172.4	-171.7	-165.6	-53.2	0	0	112.3	Y124 E135 Q136 A143 R421 N422 K439	Y124-M139 HydrophobicContact CD1-SD 4.49Å; E135-M139 PolarHBondContact O-N 2.86Å; Q136-M139 PolarHBondContact O-N 3.18Å; M139-A143 WeakPolarHBondContact O-CB 3.31Å; M139-A143 PolarHBondContact O-N 3.3Å; M139-R421 HydrophobicContact CE-CB 3.88Å; M139-N422 WeakPolarHBondContact CE-OD1 3.35Å; M139-N422 WeakPolarHBondContact CG-OD1 3.42Å; M139-N422 PolarHBondContact SD-OD1 2.84Å; M139-N422 VanDerWaalsContact SD-OD1 3.41Å; M139-K439 PolarHBondContact SD-NZ 3.04Å; M139-K439 VanDerWaalsContact SD-NZ 3.38Å
140	V	87.3	Confident	87.6	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-64.7	-44.6	176	168.6	0	0	0	0	110.8	L125 Q136 Y137 M138 A143 L144 Y183 V186	L125-V140 HydrophobicContact CB-CG1 4.35Å; L125-V140 HydrophobicContact CB-CG2 4.18Å; Q136-V140 WeakPolarHBondContact O-CG2 3.28Å; Q136-V140 PolarHBondContact O-N 2.86Å; Q136-V140 VanDerWaalsContact O-N 3.13Å; Y137-V140 WeakPolarHBondContact O-CB 3.45Å; Y137-V140 PolarHBondContact O-N 2.8Å; M138-V140 VanDerWaalsContact C-N 3.28Å; M138-V140 PolarHBondContact O-N 3.35Å; V140-A143 PolarHBondContact O-N 3.09Å; V140-L144 HydrophobicContact CG1-CD1 3.62Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CB 3.27Å; V140-L144 WeakPolarHBondContact O-CD1 3.41Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 3.04Å; V140-Y183 HydrophobicContact CG1-CE2 4.46Å; V140-V186 HydrophobicContact CG1-CG1 4.2Å
141	K	88.9	Confident	88.1	Confident	84 Å²	84	52.4 Å²	52.4	37%	0.365	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-44.9	177.2	-75.4	-166.7	176.5	172.7	0	112.8	Y137 M138 L144 H145	Y137-K141 HydrophobicContact CE1-CD 4.1Å; Y137-K141 PolarHBondContact O-N 3.25Å; Y137-K141 VanDerWaalsContact O-N 3.13Å; Y137-K141 WeakPolarHBondContact OH-CE 3.27Å; Y137-K141 PolarHBondContact OH-NZ 2.7Å; Y137-K141 VanDerWaalsContact OH-NZ 3.1Å; M138-K141 PolarHBondContact O-N 2.88Å; M138-K141 VanDerWaalsContact O-N 3.14Å; M138-K141 HydrophobicContact SD-CD 4.08Å; K141-L144 PolarHBondContact O-N 3.36Å; K141-H145 WeakPolarHBondContact O-CB 3.34Å; K141-H145 PolarHBondContact O-N 3.28Å
142	E	89.8	Confident	88.4	Confident	51 Å²	51	48.6 Å²	48.6	24%	0.238	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-49.1	177.1	-178.7	178.1	-116	0	0	110.8	M138 L144 H145 E146 T442 A445	M138-E142 PolarHBondContact O-N 2.94Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.44Å; E142-H145 WeakPolarHBondContact O-CB 3.3Å; E142-H145 PolarHBondContact O-N 3.14Å; E142-H145 VanDerWaalsContact O-N 3.15Å; E142-E146 HydrophobicContact CG-CG 4.32Å; E142-E146 WeakPolarHBondContact O-CB 3.3Å; E142-E146 WeakPolarHBondContact O-CG 3.47Å; E142-E146 PolarHBondContact O-N 2.92Å; E142-T442 HydrophobicContact CG-CG2 4.31Å; E142-A445 HydrophobicContact CG-CB 4.36Å
143	A	90.6	Very high	88.9	Confident	8 Å²	8	41 Å²	41	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-59.7	-37.7	177.9	0	0	0	0	0	112.6	M139 V140 R147 T441	M139-A143 WeakPolarHBondContact O-CB 3.31Å; M139-A143 PolarHBondContact O-N 3.3Å; V140-A143 PolarHBondContact O-N 3.09Å; A143-R147 WeakPolarHBondContact O-CB 3.38Å; A143-R147 PolarHBondContact O-N 3.42Å; A143-T441 HydrophobicContact CB-CG2 4.18Å; A143-T441 WeakPolarHBondContact O-CG2 3.22Å
144	L	90	Very high	89.5	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-67.1	-42.1	175.9	-73.9	163.5	0	0	0	112.4	V140 K141 E142 A148 Y183 V186 A187 H190	V140-L144 HydrophobicContact CG1-CD1 3.62Å; V140-L144 HydrophobicContact CG1-CG 4.41Å; V140-L144 WeakPolarHBondContact O-CB 3.27Å; V140-L144 WeakPolarHBondContact O-CD1 3.41Å; V140-L144 WeakPolarHBondContact O-CG 3.42Å; V140-L144 PolarHBondContact O-N 3.04Å; K141-L144 PolarHBondContact O-N 3.36Å; E142-L144 VanDerWaalsContact C-N 3.27Å; E142-L144 PolarHBondContact O-N 3.44Å; L144-A148 PolarHBondContact O-N 3.04Å; L144-A148 VanDerWaalsContact O-N 3.15Å; L144-Y183 HydrophobicContact CD1-CE2 4.39Å; L144-Y183 HydrophobicContact CD2-CE1 4.35Å; L144-Y183 HydrophobicContact CD2-CE2 4.15Å; L144-Y183 VanDerWaalsContact CD2-OH 3.26Å; L144-Y183 WeakPolarHBondContact CD2-OH 3.12Å; L144-V186 HydrophobicContact CD1-CG1 4.18Å; L144-A187 HydrophobicContact CD1-CB 4.11Å; L144-A187 HydrophobicContact CD2-CB 3.85Å; L144-H190 HydrophobicContact CB-CB 4.45Å
145	H	90.9	Very high	90	Very high	70 Å²	70	32.9 Å²	32.9	32%	0.324	16%	0.161	S	C	.	.	H	α-helix	trans	-63	-49.5	175.2	-179.3	78.4	0	0	0	111.4	K141 E142 R147 A148 N149 H190	K141-H145 WeakPolarHBondContact O-CB 3.34Å; K141-H145 PolarHBondContact O-N 3.28Å; E142-H145 WeakPolarHBondContact O-CB 3.3Å; E142-H145 PolarHBondContact O-N 3.14Å; E142-H145 VanDerWaalsContact O-N 3.15Å; H145-R147 VanDerWaalsContact C-N 3.35Å; H145-R147 PolarHBondContact O-N 3.03Å; H145-A148 PolarHBondContact O-N 3.47Å; H145-N149 PolarHBondContact O-N 3.35Å; H145-H190 AromaticContact ND1-CE1 3.62Å; H145-H190 AromaticContact ND1-NE2 3.67Å
146	E	93.9	Very high	90.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.5	-37.1	-179.9	-68.3	-59.2	132.3	0	0	112.2	E142 A148 N149 L150 T441 R444 A445	E142-E146 HydrophobicContact CG-CG 4.32Å; E142-E146 WeakPolarHBondContact O-CB 3.3Å; E142-E146 WeakPolarHBondContact O-CG 3.47Å; E142-E146 PolarHBondContact O-N 2.92Å; E146-A148 PolarHBondContact O-N 3.28Å; E146-N149 PolarHBondContact O-N 3.38Å; E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 PolarHBondContact O-N 3.32Å; E146-T441 HydrophobicContact CB-CG2 4.37Å; E146-T441 VanDerWaalsContact CB-O 3.23Å; E146-T441 WeakPolarHBondContact CB-O 3.37Å; E146-R444 IonicContact OE1-CZ 3Å; E146-R444 VanDerWaalsContact OE1-CZ 3.27Å; E146-R444 IonicContact OE1-NE 3.56Å; E146-R444 PolarHBondContact OE1-NE 2.78Å; E146-R444 IonicContact OE1-NH2 2.7Å; E146-R444 PolarHBondContact OE1-NH2 3.38Å; E146-R444 WeakPolarHBondContact OE2-CB 3Å; E146-R444 IonicContact OE2-CZ 2.81Å; E146-R444 IonicContact OE2-NE 3.6Å; E146-R444 PolarHBondContact OE2-NE 2.93Å; E146-A445 HydrophobicContact CG-CB 4.34Å
147	R	94.1	Very high	91.5	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-47.8	172.2	-178.2	-179.1	70.8	171.8	7.6	111.5	I118 A143 H145 N149 L150 L151 Y183 H190 Y222 D223	I118-R147 HydrophobicContact CB-CG 4.28Å; I118-R147 HydrophobicContact CG2-CB 3.76Å; I118-R147 HydrophobicContact CG2-CG 3.71Å; I118-R147 WeakPolarHBondContact O-CD 3.11Å; A143-R147 WeakPolarHBondContact O-CB 3.38Å; A143-R147 PolarHBondContact O-N 3.42Å; H145-R147 VanDerWaalsContact C-N 3.35Å; H145-R147 PolarHBondContact O-N 3.03Å; R147-N149 VanDerWaalsContact C-N 3.32Å; R147-N149 PolarHBondContact O-N 3.26Å; R147-L150 PolarHBondContact O-N 3.36Å; R147-L151 HydrophobicContact CG-CD1 4.16Å; R147-L151 WeakPolarHBondContact O-CD1 3.19Å; R147-L151 PolarHBondContact O-N 2.65Å; R147-Y183 PolarHBondContact NH1-OH 3.36Å; R147-Y183 VanDerWaalsContact NH1-OH 3.12Å; R147-H190 PolarHBondContact NH2-O 3.12Å; R147-Y222 PolarHBondContact NH1-O 3.41Å; R147-Y222 VanDerWaalsContact NH1-O 3.13Å; R147-D223 IonicContact CZ-OD1 3.97Å; R147-D223 IonicContact NH1-OD1 3.47Å; R147-D223 PolarHBondContact NH1-OD1 3.19Å
148	A	91.2	Very high	91.9	Very high	25 Å²	25	23.5 Å²	23.5	21%	0.207	12%	0.12	C	C	.	.	H	α-helix	trans	-62.1	-41.5	177.6	0	0	0	0	0	111.7	L144 H145 E146 Q152 H190	L144-A148 PolarHBondContact O-N 3.04Å; L144-A148 VanDerWaalsContact O-N 3.15Å; H145-A148 PolarHBondContact O-N 3.47Å; E146-A148 PolarHBondContact O-N 3.28Å; A148-Q152 PolarHBondContact O-N 3.3Å; A148-H190 HydrophobicContact CB-CB 4.21Å
149	N	92.9	Very high	92.2	Very high	7 Å²	7	22.5 Å²	22.5	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-47.2	176.2	179.5	68.6	0	0	0	112.1	H145 E146 R147 L151 Q152 I153 G469	H145-N149 PolarHBondContact O-N 3.35Å; E146-N149 PolarHBondContact O-N 3.38Å; R147-N149 VanDerWaalsContact C-N 3.32Å; R147-N149 PolarHBondContact O-N 3.26Å; N149-L151 PolarHBondContact O-N 2.91Å; N149-Q152 WeakPolarHBondContact O-CA 3.42Å; N149-Q152 WeakPolarHBondContact O-CB 3.16Å; N149-Q152 PolarHBondContact O-N 3.09Å; N149-I153 WeakPolarHBondContact O-CG1 3.2Å; N149-I153 WeakPolarHBondContact O-CG2 3.25Å; N149-I153 PolarHBondContact O-N 3.23Å; N149-G469 PolarHBondContact OD1-N 3.47Å
150	L	93.8	Very high	92.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.4	-48.7	178.6	-88.8	159.6	0	0	0	112.8	I118 E146 R147 Q152 I153 A154 S158 M231 W440 Y443	I118-L150 HydrophobicContact CD1-CB 4.01Å; I118-L150 HydrophobicContact CD1-CD1 4.09Å; I118-L150 HydrophobicContact CG1-CD1 4.39Å; I118-L150 HydrophobicContact CG2-CD1 3.69Å; E146-L150 WeakPolarHBondContact O-CB 3.45Å; E146-L150 PolarHBondContact O-N 3.32Å; R147-L150 PolarHBondContact O-N 3.36Å; L150-Q152 PolarHBondContact O-N 3.36Å; L150-I153 PolarHBondContact O-N 2.99Å; L150-A154 PolarHBondContact O-N 3.05Å; L150-S158 PolarHBondContact O-OG 2.95Å; L150-M231 HydrophobicContact CD2-CE 4.09Å; L150-M231 HydrophobicContact CD2-SD 4.13Å; L150-W440 HydrophobicContact CD1-CE3 4.22Å; L150-W440 HydrophobicContact CD1-CH2 4.31Å; L150-W440 HydrophobicContact CD1-CZ3 3.49Å; L150-W440 VanDerWaalsContact CD1-CZ3 3.49Å; L150-W440 HydrophobicContact CD2-CH2 3.49Å; L150-W440 VanDerWaalsContact CD2-CH2 3.49Å; L150-W440 HydrophobicContact CD2-CZ3 3.56Å; L150-W440 HydrophobicContact CG-CZ3 4.14Å; L150-Y443 HydrophobicContact CD1-CE1 4.3Å; L150-Y443 HydrophobicContact CD2-CD1 4.49Å; L150-Y443 HydrophobicContact CD2-CE1 3.61Å; L150-Y443 HydrophobicContact CG-CE1 4.09Å
151	L	92.5	Very high	92.9	Very high	26 Å²	26	25.1 Å²	25.1	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-27.5	177	-88.2	72.9	0	0	0	112.5	I118 R147 N149 P155 S158 P160 L192	I118-L151 HydrophobicContact CD1-CD1 4.06Å; R147-L151 HydrophobicContact CG-CD1 4.16Å; R147-L151 WeakPolarHBondContact O-CD1 3.19Å; R147-L151 PolarHBondContact O-N 2.65Å; N149-L151 PolarHBondContact O-N 2.91Å; L151-P155 WeakPolarHBondContact O-CA 3.22Å; L151-S158 WeakPolarHBondContact CA-OG 3.46Å; L151-P160 HydrophobicContact CD2-CG 3.8Å; L151-L192 HydrophobicContact CD2-CD1 4.07Å; L151-L192 HydrophobicContact CD2-CD2 3.68Å
152	Q	91.4	Very high	93.2	Very high	65 Å²	65	22 Å²	22	30%	0.304	13%	0.129	S	C	.	.	H	α-helix	trans	-81.6	-42.8	178.3	179.9	-177.4	-29.6	0	0	112.9	R42 A148 N149 L150	R42-Q152 VanDerWaalsContact CG-NE2 3.28Å; A148-Q152 PolarHBondContact O-N 3.3Å; N149-Q152 WeakPolarHBondContact O-CA 3.42Å; N149-Q152 WeakPolarHBondContact O-CB 3.16Å; N149-Q152 PolarHBondContact O-N 3.09Å; L150-Q152 PolarHBondContact O-N 3.36Å
153	I	94.6	Very high	93.4	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	12%	0.118	C	C	.	.	H	α-helix	trans	-80.3	-22	-173	65.9	175	0	0	0	113.4	N149 L150 L470 L472 A475	N149-I153 WeakPolarHBondContact O-CG1 3.2Å; N149-I153 WeakPolarHBondContact O-CG2 3.25Å; N149-I153 PolarHBondContact O-N 3.23Å; L150-I153 PolarHBondContact O-N 2.99Å; I153-L470 VanDerWaalsContact CB-O 3.27Å; I153-L470 WeakPolarHBondContact CB-O 3.34Å; I153-L470 VanDerWaalsContact CG2-O 3.28Å; I153-L470 WeakPolarHBondContact CG2-O 3.4Å; I153-L472 HydrophobicContact CB-CG 4.46Å; I153-L472 HydrophobicContact CD1-CD1 4Å; I153-L472 HydrophobicContact CD1-CD2 4.38Å; I153-L472 HydrophobicContact CD1-CG 4Å; I153-L472 HydrophobicContact CG1-CD1 4.27Å; I153-L472 HydrophobicContact CG1-CG 4.18Å; I153-L472 PolarHBondContact O-N 2.88Å; I153-A475 WeakPolarHBondContact O-CB 2.97Å
154	A	96.1	Very high	93.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.			trans	-142.7	68.4	177.9	0	0	0	0	0	111.3	L150 H156 L157 S158 M231 L472	L150-A154 PolarHBondContact O-N 3.05Å; A154-H156 PolarHBondContact O-N 3.18Å; A154-L157 HydrophobicContact CB-CB 4.29Å; A154-L157 HydrophobicContact CB-CD1 4.48Å; A154-L157 PolarHBondContact O-N 3.32Å; A154-L157 VanDerWaalsContact O-N 3.12Å; A154-S158 PolarHBondContact O-N 3.36Å; A154-S158 VanDerWaalsContact O-N 3.15Å; A154-S158 PolarHBondContact O-OG 3.06Å; A154-M231 HydrophobicContact CB-CE 3.87Å; A154-M231 HydrophobicContact CB-SD 3.35Å; A154-M231 WeakPolarHBondContact CB-SD 3.42Å; A154-L472 HydrophobicContact CB-CB 4.43Å; A154-L472 HydrophobicContact CB-CD1 4.1Å
155	P	95.1	Very high	93.6	Very high	36 Å²	36	19.6 Å²	19.6	23%	0.234	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	-174.8	31.1	-38	0	0	0	113.6	L151 W478	L151-P155 WeakPolarHBondContact O-CA 3.22Å; P155-W478 HydrophobicContact CB-CE3 3.71Å; P155-W478 HydrophobicContact CB-CH2 4.44Å; P155-W478 HydrophobicContact CB-CZ3 3.68Å; P155-W478 HydrophobicContact CG-CD2 4.29Å; P155-W478 HydrophobicContact CG-CE3 3.66Å; P155-W478 HydrophobicContact CG-CZ3 4.17Å; P155-W478 WeakPolarHBondContact O-CH2 3.29Å
156	H	95.8	Very high	93.7	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.056	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-33	173.8	62.6	-68.4	0	0	0	112.1	A154 E473 A475 W478 T502 G505	A154-H156 PolarHBondContact O-N 3.18Å; H156-E473 PolarHBondContact CE1-O 2.78Å; H156-E473 VanDerWaalsContact CE1-O 3.29Å; H156-E473 PolarHBondContact NE2-O 2.72Å; H156-A475 PolarHBondContact CE1-N 3.11Å; H156-W478 VanDerWaalsContact CB-CD1 3.49Å; H156-W478 HydrophobicContact CB-CD2 4.06Å; H156-W478 HydrophobicContact CB-CG 3.78Å; H156-T502 CarbonylContact C-O 3.57Å; H156-T502 VanDerWaalsContact C-O 3.22Å; H156-T502 PolarHBondContact CD2-O 3.4Å; H156-T502 CarbonylContact O-C 3.58Å; H156-G505 PolarHBondContact CD2-N 3.29Å
157	L	96.5	Very high	93.7	Very high	11 Å²	11	16.5 Å²	16.5	6%	0.058	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-6.2	-177.5	-61.4	177.3	0	0	0	113.9	A154 H226 N227 R230 M231 A234 A503	A154-L157 HydrophobicContact CB-CB 4.29Å; A154-L157 HydrophobicContact CB-CD1 4.48Å; A154-L157 PolarHBondContact O-N 3.32Å; A154-L157 VanDerWaalsContact O-N 3.12Å; L157-H226 CarbonylContact O-C 3.56Å; L157-H226 WeakPolarHBondContact O-CA 3.39Å; L157-H226 WeakPolarHBondContact O-CB 3.44Å; L157-N227 PolarHBondContact O-N 3.45Å; L157-R230 HydrophobicContact CD1-CB 4.38Å; L157-R230 HydrophobicContact CD2-CB 3.81Å; L157-M231 HydrophobicContact CB-CE 3.83Å; L157-M231 HydrophobicContact CB-SD 4.32Å; L157-M231 HydrophobicContact CD1-CB 4.25Å; L157-M231 HydrophobicContact CD1-SD 4.27Å; L157-A234 HydrophobicContact CD1-CB 3.9Å; L157-A503 WeakPolarHBondContact CD2-O 3.39Å
158	S	94.8	Very high	93.5	Very high	8 Å²	8	19 Å²	19	6%	0.056	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.5	-177.7	59.5	0	0	0	0	112.2	L150 L151 A154 Q225	L150-S158 PolarHBondContact O-OG 2.95Å; L151-S158 WeakPolarHBondContact CA-OG 3.46Å; A154-S158 PolarHBondContact O-N 3.36Å; A154-S158 VanDerWaalsContact O-N 3.15Å; A154-S158 PolarHBondContact O-OG 3.06Å; S158-Q225 CarbonylContact C-O 3.57Å; S158-Q225 WeakPolarHBondContact CA-O 3.36Å; S158-Q225 WeakPolarHBondContact CB-O 3.43Å
159	A	92.1	Very high	93.6	Very high	48 Å²	48	23.2 Å²	23.2	40%	0.397	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.4	-177.2	0	0	0	0	0	111.3	Q225	A159-Q225 PolarHBondContact N-O 3.34Å; A159-Q225 PolarHBondContact O-N 3.24Å
160	P	93.4	Very high	93.5	Very high	64 Å²	64	32.4 Å²	32.4	42%	0.416	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	134	166.3	-17.9	31.5	0	0	0	110.7	L151 L192 Y222 D223	L151-P160 HydrophobicContact CD2-CG 3.8Å; P160-L192 HydrophobicContact CB-CB 4.43Å; P160-L192 HydrophobicContact CB-CD1 4.04Å; P160-L192 HydrophobicContact CG-CD1 4.48Å; P160-Y222 HydrophobicContact CB-CD1 4.4Å; P160-D223 WeakPolarHBondContact CA-O 3.29Å
161	L	93.3	Very high	93.4	Very high	6 Å²	6	38.3 Å²	38.3	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.3	173.5	179.5	70.4	0	0	0	109.2	L117 I163 D223 Q225 L347 P348	L117-L161 HydrophobicContact CD2-CD2 3.74Å; L161-I163 HydrophobicContact CD2-CG1 4.25Å; L161-I163 HydrophobicContact CG-CG1 4.28Å; L161-D223 PolarHBondContact N-O 3.35Å; L161-D223 PolarHBondContact O-N 2.91Å; L161-D223 VanDerWaalsContact O-N 3.08Å; L161-Q225 HydrophobicContact CB-CB 3.94Å; L161-Q225 HydrophobicContact CD2-CB 4.2Å; L161-Q225 HydrophobicContact CD2-CG 4.44Å; L161-L347 HydrophobicContact CD2-CD2 3.81Å; L161-P348 HydrophobicContact CD1-CG 3.94Å
162	P	94.4	Very high	93.3	Very high	19 Å²	19	38.6 Å²	38.6	12%	0.123	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.3	166.9	27.7	-30.6	0	0	0	109.8	V220 Y221 Y222 S330 M331 G332	P162-V220 HydrophobicContact CB-CG1 3.71Å; P162-Y221 CarbonylContact C-O 3.59Å; P162-Y221 WeakPolarHBondContact CA-O 3.29Å; P162-Y222 HydrophobicContact CB-CD1 4.08Å; P162-Y222 HydrophobicContact CB-CE1 3.64Å; P162-Y222 HydrophobicContact CG-CE1 4.18Å; P162-S330 VanDerWaalsContact CD-O 3.28Å; P162-S330 WeakPolarHBondContact CD-O 3.37Å; P162-S330 WeakPolarHBondContact CG-O 3.44Å; P162-M331 HydrophobicContact CB-CE 4.26Å; P162-M331 HydrophobicContact CB-CG 4.12Å; P162-M331 HydrophobicContact CG-CB 4.14Å; P162-M331 HydrophobicContact CG-CE 4.36Å; P162-M331 HydrophobicContact CG-CG 4.12Å; P162-M331 CarbonylContact O-C 3.48Å; P162-M331 WeakPolarHBondContact O-CA 3.01Å; P162-M331 WeakPolarHBondContact O-CG 3.45Å; P162-G332 PolarHBondContact O-N 3Å
163	I	93.3	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.2	179.3	-57.9	179.7	0	0	0	108.3	L117 L161 V220 Y221 D223 G332 L334 F345	L117-I163 HydrophobicContact CD1-CD1 4.39Å; L161-I163 HydrophobicContact CD2-CG1 4.25Å; L161-I163 HydrophobicContact CG-CG1 4.28Å; I163-V220 WeakPolarHBondContact O-CA 3.46Å; I163-Y221 HydrophobicContact CB-CD1 4.25Å; I163-Y221 HydrophobicContact CB-CE1 3.77Å; I163-Y221 HydrophobicContact CD1-CE2 4.31Å; I163-Y221 HydrophobicContact CG2-CE1 3.75Å; I163-Y221 PolarHBondContact N-O 2.98Å; I163-Y221 PolarHBondContact O-N 3.49Å; I163-Y221 VanDerWaalsContact O-N 3.1Å; I163-D223 HydrophobicContact CD1-CB 3.87Å; I163-G332 CarbonylContact C-O 3.58Å; I163-G332 WeakPolarHBondContact CA-O 3.36Å; I163-L334 HydrophobicContact CG2-CB 3.68Å; I163-F345 HydrophobicContact CD1-CE1 4.33Å
164	M	93.6	Very high	93.3	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	127.1	176.8	-170.8	-173.4	-60.6	0	0	110.8	L198 A203 L210 A218 V220 M331 G332 L333 L334	M164-L198 HydrophobicContact CE-CD1 3.88Å; M164-A203 HydrophobicContact SD-CB 4.31Å; M164-L210 HydrophobicContact SD-CD2 4.47Å; M164-A218 HydrophobicContact CG-CB 3.56Å; M164-A218 HydrophobicContact SD-CB 3.83Å; M164-V220 HydrophobicContact CB-CG2 4.44Å; M164-V220 HydrophobicContact CG-CG2 4.42Å; M164-M331 HydrophobicContact CB-CG 4.24Å; M164-M331 HydrophobicContact CB-SD 3.77Å; M164-M331 HydrophobicContact CE-SD 3.48Å; M164-M331 WeakPolarHBondContact CE-SD 3.49Å; M164-M331 HydrophobicContact CG-SD 4.49Å; M164-G332 PolarHBondContact N-O 3.1Å; M164-L333 HydrophobicContact CB-CD1 4.24Å; M164-L333 HydrophobicContact CG-CD1 4.41Å; M164-L333 WeakPolarHBondContact O-CA 3.21Å; M164-L333 HydrophobicContact SD-CD1 4.36Å; M164-L334 PolarHBondContact O-N 2.98Å
165	L	92.9	Very high	93	Very high	8 Å²	8	46 Å²	46	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	101.6	169.3	180	66.8	0	0	0	109	Y176 I180 A218 I219 L334 P336	L165-Y176 HydrophobicContact CD2-CD1 4.26Å; L165-Y176 HydrophobicContact CD2-CD2 3.93Å; L165-Y176 HydrophobicContact CD2-CE2 4.46Å; L165-Y176 HydrophobicContact CD2-CG 3.83Å; L165-I180 HydrophobicContact CD2-CD1 4.12Å; L165-A218 VanDerWaalsContact O-CA 3.28Å; L165-A218 WeakPolarHBondContact O-CA 3.35Å; L165-I219 PolarHBondContact N-O 3.05Å; L165-I219 PolarHBondContact O-N 3.47Å; L165-L334 HydrophobicContact CD1-CB 4.32Å; L165-L334 HydrophobicContact CD1-CD2 4.15Å; L165-L334 HydrophobicContact CD1-CG 4.12Å; L165-P336 HydrophobicContact CD1-CB 3.95Å; L165-P336 HydrophobicContact CD1-CG 3.69Å
166	P	92.6	Very high	92.7	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	141.7	177	31.3	-35.3	0	0	0	110.8	Y168 L210 L215 L333 L334 Y385	P166-Y168 HydrophobicContact CB-CE2 3.91Å; P166-Y168 HydrophobicContact CG-CE2 4.11Å; P166-L210 HydrophobicContact CB-CD1 4.07Å; P166-L210 HydrophobicContact CB-CD2 4.03Å; P166-L210 HydrophobicContact CG-CD1 4.24Å; P166-L215 HydrophobicContact CB-CD1 4.04Å; P166-L333 HydrophobicContact CG-CD1 3.94Å; P166-L333 HydrophobicContact CG-CG 4.49Å; P166-L334 WeakPolarHBondContact CD-O 3.4Å; P166-Y385 HydrophobicContact CG-CD1 4.26Å; P166-Y385 HydrophobicContact CG-CE1 4.18Å
167	V	92.9	Very high	92.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	119.1	-176.1	-176.7	0	0	0	0	110.7	K169 Q172 L173 Y176 V216 G217 I219	V167-K169 VanDerWaalsContact CG1-O 3.31Å; V167-K169 WeakPolarHBondContact CG1-O 3.49Å; V167-Q172 HydrophobicContact CG1-CB 3.71Å; V167-L173 HydrophobicContact CB-CD1 4.14Å; V167-L173 HydrophobicContact CG1-CB 4.09Å; V167-L173 HydrophobicContact CG1-CD1 4.35Å; V167-L173 HydrophobicContact CG2-CD1 3.92Å; V167-Y176 HydrophobicContact CG2-CD2 4.11Å; V167-V216 WeakPolarHBondContact O-CB 3.49Å; V167-V216 PolarHBondContact O-N 3.16Å; V167-G217 PolarHBondContact N-O 3.27Å; V167-I219 HydrophobicContact CG2-CD1 4.27Å
168	Y	91.2	Very high	92.4	Very high	54 Å²	54	52 Å²	52	21%	0.212	25%	0.252	C	S	.	.			trans	-105	-6.9	-175.5	-65.7	-88	0	0	0	114.3	P166 N211 D213 K214 L215 Y385	P166-Y168 HydrophobicContact CB-CE2 3.91Å; P166-Y168 HydrophobicContact CG-CE2 4.11Å; Y168-N211 HydrophobicContact CE1-CB 4.35Å; Y168-N211 WeakPolarHBondContact CE1-O 3.25Å; Y168-N211 PolarHBondContact OH-O 2.77Å; Y168-D213 WeakPolarHBondContact CD1-O 3.46Å; Y168-K214 CarbonylContact C-O 3.15Å; Y168-K214 WeakPolarHBondContact CA-O 3.44Å; Y168-K214 VanDerWaalsContact O-O 3.05Å; Y168-L215 HydrophobicContact CD1-CB 4.24Å; Y168-L215 HydrophobicContact CD1-CD1 4.43Å; Y168-L215 HydrophobicContact CE1-CB 4.06Å; Y168-L215 HydrophobicContact CE1-CD1 4.12Å; Y168-Y385 HydrophobicContact CE2-CD1 4.29Å; Y168-Y385 HydrophobicContact CE2-CE1 4.01Å
169	K	92.1	Very high	92.1	Very high	114 Å²	114	53.5 Å²	53.5	50%	0.496	27%	0.269	S	S	.	.	S	Bend	trans	-123.4	130.7	174.1	-57.4	178.5	-178	174.4	0	109.8	V167 W171 Q172	V167-K169 VanDerWaalsContact CG1-O 3.31Å; V167-K169 WeakPolarHBondContact CG1-O 3.49Å; K169-W171 VanDerWaalsContact C-N 3.26Å; K169-W171 HydrophobicContact CD-CZ2 4.04Å; K169-W171 PolarHBondContact O-N 2.81Å; K169-Q172 HydrophobicContact CB-CB 4.39Å; K169-Q172 HydrophobicContact CB-CG 3.99Å; K169-Q172 WeakPolarHBondContact O-CB 3.24Å; K169-Q172 PolarHBondContact O-N 3.5Å
170	W	92	Very high	92	Very high	199 Å²	199	51.6 Å²	51.6	75%	0.754	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-35.9	-173.5	69.4	-93.5	0	0	0	113.6	Q172 L173 P174 V216	W170-Q172 VanDerWaalsContact C-N 3.34Å; W170-Q172 PolarHBondContact O-N 2.87Å; W170-L173 PolarHBondContact O-N 3.44Å; W170-P174 VanDerWaalsContact O-CD 3.24Å; W170-P174 WeakPolarHBondContact O-CD 3.24Å; W170-V216 HydrophobicContact CB-CG2 4.46Å
171	W	90.9	Very high	91.9	Very high	125 Å²	125	51.1 Å²	51.1	47%	0.473	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.5	179.8	67.3	-99.3	0	0	0	113.3	K169 L173 P174	K169-W171 VanDerWaalsContact C-N 3.26Å; K169-W171 HydrophobicContact CD-CZ2 4.04Å; K169-W171 PolarHBondContact O-N 2.81Å; W171-L173 VanDerWaalsContact C-N 3.26Å; W171-L173 PolarHBondContact O-N 2.93Å; W171-P174 VanDerWaalsContact O-CD 3.31Å; W171-P174 WeakPolarHBondContact O-CD 3.43Å; W171-P174 WeakPolarHBondContact O-CG 3.31Å
172	Q	90.9	Very high	91.7	Very high	32 Å²	32	55.1 Å²	55.1	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-70.8	-27.1	177.2	-76.5	177.6	-39.8	0	0	111.4	V167 K169 W170 Y175 Y176	V167-Q172 HydrophobicContact CG1-CB 3.71Å; K169-Q172 HydrophobicContact CB-CB 4.39Å; K169-Q172 HydrophobicContact CB-CG 3.99Å; K169-Q172 WeakPolarHBondContact O-CB 3.24Å; K169-Q172 PolarHBondContact O-N 3.5Å; W170-Q172 VanDerWaalsContact C-N 3.34Å; W170-Q172 PolarHBondContact O-N 2.87Å; Q172-Y175 PolarHBondContact O-N 3.44Å; Q172-Y176 HydrophobicContact CB-CD2 3.87Å; Q172-Y176 HydrophobicContact CB-CE2 3.66Å; Q172-Y176 HydrophobicContact CG-CE2 4.04Å; Q172-Y176 WeakPolarHBondContact O-CB 3.46Å; Q172-Y176 VanDerWaalsContact O-CD2 3.25Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.31Å; Q172-Y176 PolarHBondContact O-N 3.48Å
173	L	91.7	Very high	91.4	Very high	40 Å²	40	54.4 Å²	54.4	21%	0.209	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-55.7	-178.8	-168	69.3	0	0	0	112.5	V167 W170 W171 Y175 W177 L197 V216 I219	V167-L173 HydrophobicContact CB-CD1 4.14Å; V167-L173 HydrophobicContact CG1-CB 4.09Å; V167-L173 HydrophobicContact CG1-CD1 4.35Å; V167-L173 HydrophobicContact CG2-CD1 3.92Å; W170-L173 PolarHBondContact O-N 3.44Å; W171-L173 VanDerWaalsContact C-N 3.26Å; W171-L173 PolarHBondContact O-N 2.93Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 2.99Å; L173-W177 WeakPolarHBondContact O-CB 3.28Å; L173-W177 PolarHBondContact O-N 2.91Å; L173-L197 HydrophobicContact CD1-CD2 3.82Å; L173-L197 HydrophobicContact CG-CD2 4.29Å; L173-V216 HydrophobicContact CD2-CG1 4.4Å; L173-I219 HydrophobicContact CD1-CD1 4.19Å; L173-I219 HydrophobicContact CD1-CG1 4.01Å
174	P	92.9	Very high	91.2	Very high	77 Å²	77	55.2 Å²	55.2	50%	0.5	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-33.1	176.3	24.8	-34.5	0	0	0	112.7	W170 W171 A178	W170-P174 VanDerWaalsContact O-CD 3.24Å; W170-P174 WeakPolarHBondContact O-CD 3.24Å; W171-P174 VanDerWaalsContact O-CD 3.31Å; W171-P174 WeakPolarHBondContact O-CD 3.43Å; W171-P174 WeakPolarHBondContact O-CG 3.31Å; P174-A178 WeakPolarHBondContact O-CB 3.28Å; P174-A178 PolarHBondContact O-N 3.47Å
175	Y	89.8	Confident	91	Very high	106 Å²	106	60.3 Å²	60.3	42%	0.416	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-55.2	177.9	175.3	-103.1	0	0	0	112.5	Q126 Q172 L173 W177 A178 G179	Q126-Y175 PolarHBondContact NE2-OH 2.82Å; Q172-Y175 PolarHBondContact O-N 3.44Å; L173-Y175 VanDerWaalsContact C-N 3.27Å; L173-Y175 PolarHBondContact O-N 2.99Å; Y175-W177 VanDerWaalsContact C-N 3.32Å; Y175-W177 PolarHBondContact O-N 3.45Å; Y175-A178 PolarHBondContact O-N 2.94Å; Y175-G179 PolarHBondContact O-N 3.28Å; Y175-G179 VanDerWaalsContact O-N 3.13Å
176	Y	90.3	Very high	90.7	Very high	50 Å²	50	61.2 Å²	61.2	20%	0.196	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-36.5	179	-68.6	-43.1	0	0	0	111.6	L165 V167 Q172 A178 G179 I180 I219	L165-Y176 HydrophobicContact CD2-CD1 4.26Å; L165-Y176 HydrophobicContact CD2-CD2 3.93Å; L165-Y176 HydrophobicContact CD2-CE2 4.46Å; L165-Y176 HydrophobicContact CD2-CG 3.83Å; V167-Y176 HydrophobicContact CG2-CD2 4.11Å; Q172-Y176 HydrophobicContact CB-CD2 3.87Å; Q172-Y176 HydrophobicContact CB-CE2 3.66Å; Q172-Y176 HydrophobicContact CG-CE2 4.04Å; Q172-Y176 WeakPolarHBondContact O-CB 3.46Å; Q172-Y176 VanDerWaalsContact O-CD2 3.25Å; Q172-Y176 WeakPolarHBondContact O-CD2 3.31Å; Q172-Y176 PolarHBondContact O-N 3.48Å; Y176-A178 PolarHBondContact O-N 3.38Å; Y176-G179 PolarHBondContact O-N 2.85Å; Y176-I180 WeakPolarHBondContact O-CB 3.4Å; Y176-I180 WeakPolarHBondContact O-CG1 3.23Å; Y176-I180 PolarHBondContact O-N 3.33Å; Y176-I219 HydrophobicContact CG-CD1 4.48Å
177	W	92.9	Very high	90.2	Very high	75 Å²	75	61 Å²	61	28%	0.284	30%	0.298	S	S	.	.	H	α-helix	trans	-59.5	-46.5	175.1	178.8	-114.6	0	0	0	112	L173 Y175 G179 I180 K181 L197 I219	L173-W177 WeakPolarHBondContact O-CB 3.28Å; L173-W177 PolarHBondContact O-N 2.91Å; Y175-W177 VanDerWaalsContact C-N 3.32Å; Y175-W177 PolarHBondContact O-N 3.45Å; W177-G179 PolarHBondContact O-N 3.49Å; W177-I180 PolarHBondContact O-N 2.95Å; W177-K181 HydrophobicContact CD2-CG 4.02Å; W177-K181 HydrophobicContact CE3-CG 4.34Å; W177-K181 HydrophobicContact CH2-CD 4.24Å; W177-K181 HydrophobicContact CH2-CG 4.28Å; W177-K181 HydrophobicContact CZ2-CD 4.08Å; W177-K181 HydrophobicContact CZ2-CG 3.92Å; W177-K181 HydrophobicContact CZ3-CG 4.44Å; W177-K181 WeakPolarHBondContact O-CB 3.21Å; W177-K181 WeakPolarHBondContact O-CG 3.41Å; W177-K181 PolarHBondContact O-N 2.91Å; W177-L197 HydrophobicContact CD2-CD1 4.09Å; W177-L197 HydrophobicContact CD2-CD2 4.2Å; W177-L197 HydrophobicContact CD2-CG 4.03Å; W177-L197 HydrophobicContact CE3-CD1 4.25Å; W177-L197 HydrophobicContact CE3-CD2 3.78Å; W177-L197 HydrophobicContact CE3-CG 3.68Å; W177-L197 HydrophobicContact CH2-CG 4.1Å; W177-L197 HydrophobicContact CZ2-CD1 4.38Å; W177-L197 HydrophobicContact CZ2-CG 4.44Å; W177-L197 HydrophobicContact CZ3-CD1 4.48Å; W177-L197 HydrophobicContact CZ3-CD2 4.25Å; W177-L197 HydrophobicContact CZ3-CG 3.74Å; W177-I219 HydrophobicContact CB-CD1 4.34Å; W177-I219 HydrophobicContact CE3-CG2 4.02Å; W177-I219 HydrophobicContact CZ3-CG2 4.34Å
178	A	91.2	Very high	89.9	Confident	60 Å²	60	62.5 Å²	62.5	50%	0.496	31%	0.313	S	S	.	.	H	α-helix	trans	-61.6	-43.3	176.4	0	0	0	0	0	112	P174 Y175 Y176 K181 M182	P174-A178 WeakPolarHBondContact O-CB 3.28Å; P174-A178 PolarHBondContact O-N 3.47Å; Y175-A178 PolarHBondContact O-N 2.94Å; Y176-A178 PolarHBondContact O-N 3.38Å; A178-K181 PolarHBondContact O-N 3.38Å; A178-M182 WeakPolarHBondContact O-CB 3.13Å; A178-M182 PolarHBondContact O-N 3.33Å
179	G	89.6	Confident	89.3	Confident	39 Å²	39	66.9 Å²	66.9	40%	0.402	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-44.9	177.9	0	0	0	0	0	113.3	Y175 Y176 W177 M182 Y183	Y175-G179 PolarHBondContact O-N 3.28Å; Y175-G179 VanDerWaalsContact O-N 3.13Å; Y176-G179 PolarHBondContact O-N 2.85Å; W177-G179 PolarHBondContact O-N 3.49Å; G179-M182 WeakPolarHBondContact O-CB 3.31Å; G179-M182 PolarHBondContact O-N 3.31Å; G179-Y183 PolarHBondContact O-N 2.98Å
180	I	90.6	Very high	88.8	Confident	8 Å²	8	64.1 Å²	64.1	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-38	178.8	-70.2	171.8	0	0	0	111	L165 Y176 W177 M182 Y183 D184 S195 I219 Y221	L165-I180 HydrophobicContact CD2-CD1 4.12Å; Y176-I180 WeakPolarHBondContact O-CB 3.4Å; Y176-I180 WeakPolarHBondContact O-CG1 3.23Å; Y176-I180 PolarHBondContact O-N 3.33Å; W177-I180 PolarHBondContact O-N 2.95Å; I180-M182 VanDerWaalsContact C-N 3.34Å; I180-M182 PolarHBondContact O-N 2.59Å; I180-Y183 WeakPolarHBondContact O-CA 3.38Å; I180-Y183 VanDerWaalsContact O-CB 3.27Å; I180-Y183 WeakPolarHBondContact O-CB 3.35Å; I180-Y183 PolarHBondContact O-N 3.32Å; I180-Y183 VanDerWaalsContact O-N 3.11Å; I180-D184 PolarHBondContact O-N 3.35Å; I180-S195 WeakPolarHBondContact CG2-OG 3.41Å; I180-I219 HydrophobicContact CB-CG2 4.4Å; I180-I219 HydrophobicContact CD1-CB 4.04Å; I180-I219 HydrophobicContact CD1-CD1 4.39Å; I180-I219 HydrophobicContact CD1-CG2 3.43Å; I180-I219 VanDerWaalsContact CD1-CG2 3.43Å; I180-I219 HydrophobicContact CG1-CG2 4.49Å; I180-I219 HydrophobicContact CG2-CG2 4.23Å; I180-Y221 HydrophobicContact CD1-CD1 4.24Å
181	K	91.6	Very high	88.2	Confident	54 Å²	54	56.4 Å²	56.4	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-66	-37.4	173.7	-78.5	-70.9	166.8	-154.8	0	112.7	W177 A178 Y183 D184 V185 S194 S195	W177-K181 HydrophobicContact CD2-CG 4.02Å; W177-K181 HydrophobicContact CE3-CG 4.34Å; W177-K181 HydrophobicContact CH2-CD 4.24Å; W177-K181 HydrophobicContact CH2-CG 4.28Å; W177-K181 HydrophobicContact CZ2-CD 4.08Å; W177-K181 HydrophobicContact CZ2-CG 3.92Å; W177-K181 HydrophobicContact CZ3-CG 4.44Å; W177-K181 WeakPolarHBondContact O-CB 3.21Å; W177-K181 WeakPolarHBondContact O-CG 3.41Å; W177-K181 PolarHBondContact O-N 2.91Å; A178-K181 PolarHBondContact O-N 3.38Å; K181-Y183 PolarHBondContact O-N 3.38Å; K181-D184 IonicContact NZ-OD2 3.3Å; K181-D184 PolarHBondContact NZ-OD2 2.88Å; K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.47Å; K181-V185 WeakPolarHBondContact O-CG2 3.36Å; K181-V185 PolarHBondContact O-N 2.74Å; K181-S194 PolarHBondContact NZ-OG 2.71Å; K181-S195 WeakPolarHBondContact CE-O 3.5Å; K181-S195 WeakPolarHBondContact CE-OG 3.44Å; K181-S195 PolarHBondContact NZ-O 2.85Å; K181-S195 PolarHBondContact NZ-OG 2.92Å
182	M	89.1	Confident	87.9	Confident	90 Å²	90	52.6 Å²	52.6	44%	0.443	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-39.9	170.9	-172.3	65	71.7	0	0	111	L125 I129 A178 G179 I180 V185 V186	L125-M182 HydrophobicContact CD2-CG 4.42Å; I129-M182 HydrophobicContact CD1-CG 3.6Å; A178-M182 WeakPolarHBondContact O-CB 3.13Å; A178-M182 PolarHBondContact O-N 3.33Å; G179-M182 WeakPolarHBondContact O-CB 3.31Å; G179-M182 PolarHBondContact O-N 3.31Å; I180-M182 VanDerWaalsContact C-N 3.34Å; I180-M182 PolarHBondContact O-N 2.59Å; M182-V185 PolarHBondContact O-N 2.76Å; M182-V186 WeakPolarHBondContact O-CG2 3.49Å; M182-V186 PolarHBondContact O-N 2.81Å
183	Y	87.8	Confident	87.7	Confident	3 Å²	3	55.8 Å²	55.8	1%	0.012	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-44.6	174.6	-177.6	-99.2	0	0	0	112.7	G120 V122 L125 V140 L144 R147 G179 I180 K181 V185 V186 A187	G120-Y183 VanDerWaalsContact C-OH 3.3Å; G120-Y183 WeakPolarHBondContact CA-OH 3.34Å; V122-Y183 HydrophobicContact CB-CD2 4.23Å; V122-Y183 HydrophobicContact CB-CE2 4.35Å; V122-Y183 HydrophobicContact CG2-CD1 3.95Å; V122-Y183 HydrophobicContact CG2-CD2 3.75Å; V122-Y183 HydrophobicContact CG2-CE1 3.84Å; V122-Y183 HydrophobicContact CG2-CE2 3.65Å; V122-Y183 HydrophobicContact CG2-CG 3.89Å; L125-Y183 HydrophobicContact CD2-CD2 3.84Å; L125-Y183 HydrophobicContact CD2-CG 4.35Å; V140-Y183 HydrophobicContact CG1-CE2 4.46Å; L144-Y183 HydrophobicContact CD1-CE2 4.39Å; L144-Y183 HydrophobicContact CD2-CE1 4.35Å; L144-Y183 HydrophobicContact CD2-CE2 4.15Å; L144-Y183 VanDerWaalsContact CD2-OH 3.26Å; L144-Y183 WeakPolarHBondContact CD2-OH 3.12Å; R147-Y183 PolarHBondContact NH1-OH 3.36Å; R147-Y183 VanDerWaalsContact NH1-OH 3.12Å; G179-Y183 PolarHBondContact O-N 2.98Å; I180-Y183 WeakPolarHBondContact O-CA 3.38Å; I180-Y183 VanDerWaalsContact O-CB 3.27Å; I180-Y183 WeakPolarHBondContact O-CB 3.35Å; I180-Y183 PolarHBondContact O-N 3.32Å; I180-Y183 VanDerWaalsContact O-N 3.11Å; K181-Y183 PolarHBondContact O-N 3.38Å; Y183-V185 VanDerWaalsContact C-N 3.3Å; Y183-V185 PolarHBondContact O-N 2.78Å; Y183-V186 PolarHBondContact O-N 3.11Å; Y183-A187 WeakPolarHBondContact O-CB 3.08Å; Y183-A187 PolarHBondContact O-N 3.01Å
184	D	88.9	Confident	87.6	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-57.6	-42.9	173.1	-70.5	-4.6	0	0	0	111.7	I180 K181 A187 G188 S194 S195	I180-D184 PolarHBondContact O-N 3.35Å; K181-D184 IonicContact NZ-OD2 3.3Å; K181-D184 PolarHBondContact NZ-OD2 2.88Å; K181-D184 WeakPolarHBondContact O-CB 3.48Å; K181-D184 PolarHBondContact O-N 3.47Å; D184-A187 PolarHBondContact O-N 2.85Å; D184-G188 PolarHBondContact O-N 2.8Å; D184-S194 PolarHBondContact OD2-OG 2.88Å; D184-S195 WeakPolarHBondContact OD2-CB 3.47Å; D184-S195 PolarHBondContact OD2-N 3.01Å; D184-S195 PolarHBondContact OD2-OG 3.07Å
185	V	88.4	Confident	87.6	Confident	109 Å²	109	53.9 Å²	53.9	66%	0.661	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-44.9	178.9	170.9	0	0	0	0	111.3	K181 M182 Y183 A187 G188	K181-V185 WeakPolarHBondContact O-CG2 3.36Å; K181-V185 PolarHBondContact O-N 2.74Å; M182-V185 PolarHBondContact O-N 2.76Å; Y183-V185 VanDerWaalsContact C-N 3.3Å; Y183-V185 PolarHBondContact O-N 2.78Å; V185-A187 VanDerWaalsContact C-N 3.32Å; V185-G188 PolarHBondContact O-N 2.85Å
186	V	86.4	Confident	87.8	Confident	27 Å²	27	52 Å²	52	16%	0.164	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-36.3	177.5	171.6	0	0	0	0	111.4	L125 Y137 V140 L144 M182 Y183 G188	L125-V186 HydrophobicContact CD1-CG1 4.39Å; L125-V186 HydrophobicContact CD1-CG2 4.05Å; L125-V186 HydrophobicContact CD2-CB 4.22Å; L125-V186 HydrophobicContact CD2-CG2 4.06Å; Y137-V186 HydrophobicContact CE2-CG1 3.86Å; Y137-V186 HydrophobicContact CE2-CG2 4.04Å; V140-V186 HydrophobicContact CG1-CG1 4.2Å; L144-V186 HydrophobicContact CD1-CG1 4.18Å; M182-V186 WeakPolarHBondContact O-CG2 3.49Å; M182-V186 PolarHBondContact O-N 2.81Å; Y183-V186 PolarHBondContact O-N 3.11Å; V186-G188 VanDerWaalsContact C-N 3.29Å; V186-G188 PolarHBondContact O-N 3.5Å
187	A	81.8	Confident	88.1	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-63.8	-34.7	172.9	0	0	0	0	0	112.3	L144 Y183 D184 V185 I189 H190 C191	L144-A187 HydrophobicContact CD1-CB 4.11Å; L144-A187 HydrophobicContact CD2-CB 3.85Å; Y183-A187 WeakPolarHBondContact O-CB 3.08Å; Y183-A187 PolarHBondContact O-N 3.01Å; D184-A187 PolarHBondContact O-N 2.85Å; V185-A187 VanDerWaalsContact C-N 3.32Å; A187-I189 PolarHBondContact O-N 2.92Å; A187-I189 VanDerWaalsContact O-N 3.11Å; A187-H190 WeakPolarHBondContact O-CA 3.34Å; A187-H190 WeakPolarHBondContact O-CB 3.29Å; A187-H190 PolarHBondContact O-N 2.92Å; A187-C191 HydrophobicContact CB-CB 3.87Å
188	G	87	Confident	88.2	Confident	31 Å²	31	50.5 Å²	50.5	32%	0.32	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	55.3	-118	172	0	0	0	0	0	111.8	D184 V185 V186 H190 C191	D184-G188 PolarHBondContact O-N 2.8Å; V185-G188 PolarHBondContact O-N 2.85Å; V186-G188 VanDerWaalsContact C-N 3.29Å; V186-G188 PolarHBondContact O-N 3.5Å; G188-H190 PolarHBondContact O-N 3.42Å; G188-C191 VanDerWaalsContact O-CB 3.31Å; G188-C191 WeakPolarHBondContact O-CB 3.33Å; G188-C191 PolarHBondContact O-N 3.23Å
189	I	78.4	Confident	88.5	Confident	146 Å²	146	50.4 Å²	50.4	75%	0.749	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-71.5	-16	177.3	61.6	167.3	0	0	0	113.9	A187	A187-I189 PolarHBondContact O-N 2.92Å; A187-I189 VanDerWaalsContact O-N 3.11Å
190	H	82.4	Confident	88.7	Confident	55 Å²	55	52.5 Å²	52.5	26%	0.255	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-96.7	9.7	177.7	-52	-56.6	0	0	0	112.4	L144 H145 R147 A148 A187 G188 L192	L144-H190 HydrophobicContact CB-CB 4.45Å; H145-H190 AromaticContact ND1-CE1 3.62Å; H145-H190 AromaticContact ND1-NE2 3.67Å; R147-H190 PolarHBondContact NH2-O 3.12Å; A148-H190 HydrophobicContact CB-CB 4.21Å; A187-H190 WeakPolarHBondContact O-CA 3.34Å; A187-H190 WeakPolarHBondContact O-CB 3.29Å; A187-H190 PolarHBondContact O-N 2.92Å; G188-H190 PolarHBondContact O-N 3.42Å; H190-L192 PolarHBondContact O-N 3.35Å
191	C	79.7	Confident	89	Confident	37 Å²	37	56.2 Å²	56.2	25%	0.25	31%	0.312	C	S	.	.			trans	-70.8	124.7	170	-172.8	0	0	0	0	109.1	A187 G188 Q193	A187-C191 HydrophobicContact CB-CB 3.87Å; G188-C191 VanDerWaalsContact O-CB 3.31Å; G188-C191 WeakPolarHBondContact O-CB 3.33Å; G188-C191 PolarHBondContact O-N 3.23Å; C191-Q193 PolarHBondContact SG-O 3.27Å; C191-Q193 VanDerWaalsContact SG-O 3.4Å
192	L	83.4	Confident	89.1	Confident	45 Å²	45	58.9 Å²	58.9	24%	0.236	32%	0.324	C	S	.	.	S	Bend	trans	-70.5	-56	-178.9	-61.9	178.8	0	0	0	110.7	L151 P160 H190 D223	L151-L192 HydrophobicContact CD2-CD1 4.07Å; L151-L192 HydrophobicContact CD2-CD2 3.68Å; P160-L192 HydrophobicContact CB-CB 4.43Å; P160-L192 HydrophobicContact CB-CD1 4.04Å; P160-L192 HydrophobicContact CG-CD1 4.48Å; H190-L192 PolarHBondContact O-N 3.35Å; L192-D223 WeakPolarHBondContact CD1-O 3.35Å
193	Q	87.4	Confident	89.3	Confident	100 Å²	100	54.6 Å²	54.6	47%	0.467	30%	0.303	S	S	.	.	S	Bend	trans	-148.7	152.2	173.5	-65.9	-172.2	-7.7	0	0	108.3	C191 Y222	C191-Q193 PolarHBondContact SG-O 3.27Å; C191-Q193 VanDerWaalsContact SG-O 3.4Å; Q193-Y222 HydrophobicContact CB-CD1 4.08Å; Q193-Y222 HydrophobicContact CB-CD2 3.64Å; Q193-Y222 HydrophobicContact CB-CE1 4.06Å; Q193-Y222 HydrophobicContact CB-CE2 3.64Å; Q193-Y222 HydrophobicContact CB-CG 3.87Å; Q193-Y222 HydrophobicContact CG-CD1 4.41Å; Q193-Y222 HydrophobicContact CG-CE1 4.28Å; Q193-Y222 PolarHBondContact OE1-OH 3.11Å
194	S	89.1	Confident	89.5	Confident	71 Å²	71	56.5 Å²	56.5	50%	0.497	31%	0.313	S	S	.	.			trans	-72.2	138.4	-179.2	-163.4	0	0	0	0	111.2	K181 D184	K181-S194 PolarHBondContact NZ-OG 2.71Å; D184-S194 PolarHBondContact OD2-OG 2.88Å
195	S	93.5	Very high	89.7	Confident	6 Å²	6	62.7 Å²	62.7	4%	0.042	34%	0.341	C	S	.	.			trans	-62	150.5	174.1	57.7	0	0	0	0	112.8	I180 K181 D184 V220	I180-S195 WeakPolarHBondContact CG2-OG 3.41Å; K181-S195 WeakPolarHBondContact CE-O 3.5Å; K181-S195 WeakPolarHBondContact CE-OG 3.44Å; K181-S195 PolarHBondContact NZ-O 2.85Å; K181-S195 PolarHBondContact NZ-OG 2.92Å; D184-S195 WeakPolarHBondContact OD2-CB 3.47Å; D184-S195 PolarHBondContact OD2-N 3.01Å; D184-S195 PolarHBondContact OD2-OG 3.07Å; S195-V220 CarbonylContact C-O 3.45Å; S195-V220 WeakPolarHBondContact CA-O 3.49Å; S195-V220 WeakPolarHBondContact CB-O 3.19Å
196	Y	95.1	Very high	89.8	Confident	66 Å²	66	63 Å²	63	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.2	179.3	61.7	-91.5	0	0	0	112.6	L198 V220 Y222	Y196-L198 HydrophobicContact CD2-CD2 4.02Å; Y196-L198 HydrophobicContact CD2-CG 4.15Å; Y196-L198 HydrophobicContact CE2-CD1 4.23Å; Y196-L198 HydrophobicContact CE2-CD2 3.62Å; Y196-L198 HydrophobicContact CE2-CG 3.77Å; Y196-V220 HydrophobicContact CD1-CB 4.25Å; Y196-V220 HydrophobicContact CD2-CB 4.21Å; Y196-V220 HydrophobicContact CD2-CG2 4.35Å; Y196-V220 HydrophobicContact CE1-CB 3.8Å; Y196-V220 HydrophobicContact CE1-CG1 3.78Å; Y196-V220 HydrophobicContact CE2-CB 3.75Å; Y196-V220 HydrophobicContact CE2-CG1 4.38Å; Y196-V220 HydrophobicContact CE2-CG2 3.66Å; Y196-V220 HydrophobicContact CG-CB 4.44Å; Y196-V220 PolarHBondContact N-O 2.91Å; Y196-V220 PolarHBondContact O-N 3.23Å; Y196-Y222 HydrophobicContact CD1-CE2 4.37Å; Y196-Y222 AromaticContact CE1-CE2 3.94Å; Y196-Y222 HydrophobicContact CE1-CE2 3.94Å
197	L	95.8	Very high	89.9	Confident	81 Å²	81	62 Å²	62	42%	0.424	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.8	176.7	-71.2	168.1	0	0	0	110.5	L173 W177 I219	L173-L197 HydrophobicContact CD1-CD2 3.82Å; L173-L197 HydrophobicContact CG-CD2 4.29Å; W177-L197 HydrophobicContact CD2-CD1 4.09Å; W177-L197 HydrophobicContact CD2-CD2 4.2Å; W177-L197 HydrophobicContact CD2-CG 4.03Å; W177-L197 HydrophobicContact CE3-CD1 4.25Å; W177-L197 HydrophobicContact CE3-CD2 3.78Å; W177-L197 HydrophobicContact CE3-CG 3.68Å; W177-L197 HydrophobicContact CH2-CG 4.1Å; W177-L197 HydrophobicContact CZ2-CD1 4.38Å; W177-L197 HydrophobicContact CZ2-CG 4.44Å; W177-L197 HydrophobicContact CZ3-CD1 4.48Å; W177-L197 HydrophobicContact CZ3-CD2 4.25Å; W177-L197 HydrophobicContact CZ3-CG 3.74Å; L197-I219 HydrophobicContact CD2-CG1 3.52Å
198	L	95.5	Very high	90.3	Very high	13 Å²	13	66.4 Å²	66.4	7%	0.068	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	132.7	167.7	-68.5	179.4	0	0	0	109.3	M164 Y196 K202 A203 Y206 G217 A218 V220	M164-L198 HydrophobicContact CE-CD1 3.88Å; Y196-L198 HydrophobicContact CD2-CD2 4.02Å; Y196-L198 HydrophobicContact CD2-CG 4.15Å; Y196-L198 HydrophobicContact CE2-CD1 4.23Å; Y196-L198 HydrophobicContact CE2-CD2 3.62Å; Y196-L198 HydrophobicContact CE2-CG 3.77Å; L198-K202 HydrophobicContact CB-CB 4.4Å; L198-K202 HydrophobicContact CD2-CB 3.94Å; L198-K202 HydrophobicContact CD2-CD 4.16Å; L198-A203 HydrophobicContact CB-CB 4.41Å; L198-Y206 HydrophobicContact CD1-CD2 3.95Å; L198-Y206 HydrophobicContact CD1-CE2 4.39Å; L198-Y206 HydrophobicContact CD2-CD2 4.39Å; L198-Y206 HydrophobicContact CD2-CE2 4.13Å; L198-G217 WeakPolarHBondContact O-CA 3.2Å; L198-A218 HydrophobicContact CB-CB 4.26Å; L198-A218 PolarHBondContact N-O 2.72Å; L198-A218 PolarHBondContact O-N 2.83Å; L198-V220 HydrophobicContact CD1-CG2 3.61Å; L198-V220 HydrophobicContact CG-CG2 4.04Å
199	S	96.2	Very high	90.4	Very high	57 Å²	57	67 Å²	67	40%	0.399	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	159.9	165.7	61.3	0	0	0	0	109.8	S201 K202 A203	S199-S201 PolarHBondContact O-N 3.13Å; S199-S201 PolarHBondContact OG-OG 2.87Å; S199-K202 PolarHBondContact O-N 3.3Å; S199-K202 PolarHBondContact OG-N 2.61Å; S199-A203 WeakPolarHBondContact O-CB 3.26Å; S199-A203 PolarHBondContact O-N 3.29Å
200	K	95.1	Very high	90.9	Very high	84 Å²	84	60 Å²	60	37%	0.365	31%	0.313	S	S	.	.	H	α-helix	trans	-47.2	-47.5	171.5	-176.9	-175.3	-174.8	159.9	0	112.5	A203 L204 K212 L215	K200-A203 PolarHBondContact O-N 2.85Å; K200-L204 HydrophobicContact CG-CD1 4.05Å; K200-L204 WeakPolarHBondContact O-CG 3.31Å; K200-L204 PolarHBondContact O-N 2.72Å; K200-K212 VanDerWaalsContact CE-O 3.31Å; K200-K212 WeakPolarHBondContact CE-O 3.49Å; K200-K212 PolarHBondContact NZ-O 3.36Å; K200-L215 VanDerWaalsContact CD-O 3.31Å; K200-L215 WeakPolarHBondContact CD-O 2.96Å; K200-L215 HydrophobicContact CG-CB 4.41Å; K200-L215 HydrophobicContact CG-CD2 4.06Å; K200-L215 HydrophobicContact CG-CG 4.21Å
201	S	95.6	Very high	91.3	Very high	85 Å²	85	58.9 Å²	58.9	59%	0.594	31%	0.308	S	S	*	.	H	α-helix	trans	-60.6	-47.5	-179.3	52	0	0	0	0	112.5	S199 L204 E205	S199-S201 PolarHBondContact O-N 3.13Å; S199-S201 PolarHBondContact OG-OG 2.87Å; S201-L204 PolarHBondContact O-N 3.24Å; S201-E205 PolarHBondContact O-N 2.82Å
202	K	94.9	Very high	91.9	Very high	110 Å²	110	62.5 Å²	62.5	48%	0.478	32%	0.32	S	S	.	.	H	α-helix	trans	-67.8	-37.9	178.3	-70.6	-173.7	173.5	-171.4	0	112.2	L198 S199 L204 E205 Y206	L198-K202 HydrophobicContact CB-CB 4.4Å; L198-K202 HydrophobicContact CD2-CB 3.94Å; L198-K202 HydrophobicContact CD2-CD 4.16Å; S199-K202 PolarHBondContact O-N 3.3Å; S199-K202 PolarHBondContact OG-N 2.61Å; K202-L204 VanDerWaalsContact C-N 3.28Å; K202-L204 PolarHBondContact O-N 3.04Å; K202-E205 WeakPolarHBondContact O-CB 3.31Å; K202-E205 PolarHBondContact O-N 2.8Å; K202-E205 VanDerWaalsContact O-N 3.17Å; K202-Y206 VanDerWaalsContact O-CD2 3.23Å; K202-Y206 WeakPolarHBondContact O-CD2 3.36Å; K202-Y206 PolarHBondContact O-N 2.88Å
203	A	93.1	Very high	92.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.9	-42	176.1	0	0	0	0	0	111.2	M164 L198 S199 K200 F207 L215 A218	M164-A203 HydrophobicContact SD-CB 4.31Å; L198-A203 HydrophobicContact CB-CB 4.41Å; S199-A203 WeakPolarHBondContact O-CB 3.26Å; S199-A203 PolarHBondContact O-N 3.29Å; K200-A203 PolarHBondContact O-N 2.85Å; A203-F207 PolarHBondContact O-N 2.84Å; A203-L215 HydrophobicContact CB-CD2 4.46Å; A203-A218 HydrophobicContact CB-CB 4.04Å
204	L	92.6	Very high	92.4	Very high	43 Å²	43	68.6 Å²	68.6	23%	0.225	35%	0.347	C	S	.	.	H	α-helix	trans	-73.3	-24.5	175.4	-66.2	170.5	0	0	0	113.4	K200 S201 K202 F207 P208 L210 K212 L215	K200-L204 HydrophobicContact CG-CD1 4.05Å; K200-L204 WeakPolarHBondContact O-CG 3.31Å; K200-L204 PolarHBondContact O-N 2.72Å; S201-L204 PolarHBondContact O-N 3.24Å; K202-L204 VanDerWaalsContact C-N 3.28Å; K202-L204 PolarHBondContact O-N 3.04Å; L204-F207 CarbonylContact O-C 3.29Å; L204-P208 WeakPolarHBondContact O-CA 3.46Å; L204-P208 WeakPolarHBondContact O-CG 3.41Å; L204-P208 VanDerWaalsContact O-N 3.09Å; L204-L210 HydrophobicContact CD2-CB 4.22Å; L204-K212 HydrophobicContact CD1-CB 4.15Å; L204-K212 HydrophobicContact CD2-CB 4.17Å; L204-L215 HydrophobicContact CD2-CD2 4.09Å; L204-L215 HydrophobicContact CG-CD2 4.11Å
205	E	92.3	Very high	92.6	Very high	147 Å²	147	65.5 Å²	65.5	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-69.9	-45.3	171.9	-174.7	-176.7	172	0	0	111.3	S201 K202	S201-E205 PolarHBondContact O-N 2.82Å; K202-E205 WeakPolarHBondContact O-CB 3.31Å; K202-E205 PolarHBondContact O-N 2.8Å; K202-E205 VanDerWaalsContact O-N 3.17Å
206	Y	89.7	Confident	92.7	Very high	116 Å²	116	68 Å²	68	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-70.1	-36.4	174.8	-79.4	-71.2	0	0	0	112.5	L198 K202 P328 M331	L198-Y206 HydrophobicContact CD1-CD2 3.95Å; L198-Y206 HydrophobicContact CD1-CE2 4.39Å; L198-Y206 HydrophobicContact CD2-CD2 4.39Å; L198-Y206 HydrophobicContact CD2-CE2 4.13Å; K202-Y206 VanDerWaalsContact O-CD2 3.23Å; K202-Y206 WeakPolarHBondContact O-CD2 3.36Å; K202-Y206 PolarHBondContact O-N 2.88Å; Y206-P328 WeakPolarHBondContact O-CG 3.43Å; Y206-M331 HydrophobicContact CD1-CE 4.34Å
207	F	90.4	Very high	92.7	Very high	5 Å²	5	64.9 Å²	64.9	2%	0.022	33%	0.328	C	S	.	.			trans	-135.9	84.9	-179.9	-163.7	-169.2	0	0	0	112.1	A203 L204 M209 L210 Y326 P328 L333 L386	A203-F207 PolarHBondContact O-N 2.84Å; L204-F207 CarbonylContact O-C 3.29Å; F207-M209 HydrophobicContact CD2-CB 4.14Å; F207-M209 HydrophobicContact CE2-CB 3.75Å; F207-M209 HydrophobicContact CE2-CE 3.83Å; F207-M209 HydrophobicContact CZ-CB 4.46Å; F207-M209 PolarHBondContact O-N 3.43Å; F207-L210 HydrophobicContact CB-CB 4.31Å; F207-L210 HydrophobicContact CD1-CB 4Å; F207-L210 HydrophobicContact CD1-CD1 4.3Å; F207-L210 HydrophobicContact CG-CB 4.19Å; F207-L210 VanDerWaalsContact O-CB 3.28Å; F207-L210 WeakPolarHBondContact O-CB 3.24Å; F207-L210 PolarHBondContact O-N 3.45Å; F207-L210 VanDerWaalsContact O-N 3.11Å; F207-Y326 WeakPolarHBondContact CZ-O 3.39Å; F207-P328 HydrophobicContact CB-CG 3.82Å; F207-P328 HydrophobicContact CD1-CG 4.34Å; F207-P328 HydrophobicContact CD2-CG 4.09Å; F207-P328 HydrophobicContact CG-CG 3.86Å; F207-L333 HydrophobicContact CD1-CD1 4.16Å; F207-L333 HydrophobicContact CE1-CD1 4.28Å; F207-L333 HydrophobicContact CE1-CD2 4.14Å; F207-L386 HydrophobicContact CE1-CD2 4.27Å; F207-L386 HydrophobicContact CE2-CD2 4.37Å; F207-L386 HydrophobicContact CZ-CD2 3.65Å
208	P	88.9	Confident	92.6	Very high	97 Å²	97	61 Å²	61	63%	0.63	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-28.3	-176.5	-26.4	35.5	0	0	0	114.4	L204 L210	L204-P208 WeakPolarHBondContact O-CA 3.46Å; L204-P208 WeakPolarHBondContact O-CG 3.41Å; L204-P208 VanDerWaalsContact O-N 3.09Å; P208-L210 VanDerWaalsContact C-N 3.28Å; P208-L210 PolarHBondContact O-N 2.91Å
209	M	88.6	Confident	92.6	Very high	42 Å²	42	60.4 Å²	60.4	21%	0.207	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.9	-179.3	-68.7	-172.7	-72.7	0	0	113.8	F207 Y325 L386 S387 V390	F207-M209 HydrophobicContact CD2-CB 4.14Å; F207-M209 HydrophobicContact CE2-CB 3.75Å; F207-M209 HydrophobicContact CE2-CE 3.83Å; F207-M209 HydrophobicContact CZ-CB 4.46Å; F207-M209 PolarHBondContact O-N 3.43Å; M209-Y325 HydrophobicContact CE-CD2 4.42Å; M209-Y325 WeakPolarHBondContact CE-O 3.32Å; M209-L386 HydrophobicContact CB-CD2 4.24Å; M209-L386 CarbonylContact O-C 3.5Å; M209-L386 VanDerWaalsContact O-CA 3.25Å; M209-L386 WeakPolarHBondContact O-CA 3.38Å; M209-S387 PolarHBondContact O-N 2.88Å; M209-V390 HydrophobicContact CB-CG2 3.87Å; M209-V390 HydrophobicContact CG-CG2 3.59Å; M209-V390 HydrophobicContact SD-CG1 3.82Å; M209-V390 HydrophobicContact SD-CG2 3.85Å
210	L	90.1	Very high	92.5	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-64.6	140	176.4	-175	67.9	0	0	0	110.3	M164 P166 L204 F207 P208 K212 L215 L333	M164-L210 HydrophobicContact SD-CD2 4.47Å; P166-L210 HydrophobicContact CB-CD1 4.07Å; P166-L210 HydrophobicContact CB-CD2 4.03Å; P166-L210 HydrophobicContact CG-CD1 4.24Å; L204-L210 HydrophobicContact CD2-CB 4.22Å; F207-L210 HydrophobicContact CB-CB 4.31Å; F207-L210 HydrophobicContact CD1-CB 4Å; F207-L210 HydrophobicContact CD1-CD1 4.3Å; F207-L210 HydrophobicContact CG-CB 4.19Å; F207-L210 VanDerWaalsContact O-CB 3.28Å; F207-L210 WeakPolarHBondContact O-CB 3.24Å; F207-L210 PolarHBondContact O-N 3.45Å; F207-L210 VanDerWaalsContact O-N 3.11Å; P208-L210 VanDerWaalsContact C-N 3.28Å; P208-L210 PolarHBondContact O-N 2.91Å; L210-K212 PolarHBondContact O-N 3.18Å; L210-L215 HydrophobicContact CD2-CD1 4.08Å; L210-L215 HydrophobicContact CD2-CD2 3.62Å; L210-L215 HydrophobicContact CG-CD2 4.33Å; L210-L333 HydrophobicContact CD1-CD1 4.23Å; L210-L333 HydrophobicContact CD1-CD2 4.49Å
211	N	90.2	Very high	92.5	Very high	30 Å²	30	54.1 Å²	54.1	16%	0.16	27%	0.27	C	S	.	.			trans	-59.2	115.3	176.5	-170.3	-24.3	0	0	0	111	Y168 D213 Y385	Y168-N211 HydrophobicContact CE1-CB 4.35Å; Y168-N211 WeakPolarHBondContact CE1-O 3.25Å; Y168-N211 PolarHBondContact OH-O 2.77Å; N211-D213 VanDerWaalsContact C-N 3.34Å; N211-D213 WeakPolarHBondContact OD1-CB 3.38Å; N211-D213 PolarHBondContact OD1-N 3.18Å; N211-Y385 WeakPolarHBondContact CB-O 3.49Å; N211-Y385 PolarHBondContact N-O 3.22Å
212	K	92.1	Very high	92.3	Very high	114 Å²	114	51.5 Å²	51.5	50%	0.496	25%	0.247	S	C	.	.			trans	-78.5	-17.2	-177.2	67.4	-168.7	175.9	-163.9	0	113.6	K200 L204 L210 K214	K200-K212 VanDerWaalsContact CE-O 3.31Å; K200-K212 WeakPolarHBondContact CE-O 3.49Å; K200-K212 PolarHBondContact NZ-O 3.36Å; L204-K212 HydrophobicContact CD1-CB 4.15Å; L204-K212 HydrophobicContact CD2-CB 4.17Å; L210-K212 PolarHBondContact O-N 3.18Å; K212-K214 PolarHBondContact O-N 2.93Å
213	D	90.4	Very high	92.2	Very high	94 Å²	94	46.3 Å²	46.3	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	126.8	-174.8	-67.1	-22.7	0	0	0	110	Y168 N211 L215	Y168-D213 WeakPolarHBondContact CD1-O 3.46Å; N211-D213 VanDerWaalsContact C-N 3.34Å; N211-D213 WeakPolarHBondContact OD1-CB 3.38Å; N211-D213 PolarHBondContact OD1-N 3.18Å; D213-L215 PolarHBondContact O-N 3.03Å
214	K	91.3	Very high	92.2	Very high	178 Å²	178	46.3 Å²	46.3	77%	0.774	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	1.8	-176.8	-54.7	173	-177.5	169.2	0	115.5	Y168 K212 V216	Y168-K214 CarbonylContact C-O 3.15Å; Y168-K214 WeakPolarHBondContact CA-O 3.44Å; Y168-K214 VanDerWaalsContact O-O 3.05Å; K212-K214 PolarHBondContact O-N 2.93Å; K214-V216 PolarHBondContact O-N 2.94Å
215	L	94	Very high	92.3	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	22%	0.221	C	C	.	.			trans	-60.3	123.6	174	-176	67	0	0	0	110.1	P166 Y168 K200 A203 L204 L210 D213 G217	P166-L215 HydrophobicContact CB-CD1 4.04Å; Y168-L215 HydrophobicContact CD1-CB 4.24Å; Y168-L215 HydrophobicContact CD1-CD1 4.43Å; Y168-L215 HydrophobicContact CE1-CB 4.06Å; Y168-L215 HydrophobicContact CE1-CD1 4.12Å; K200-L215 VanDerWaalsContact CD-O 3.31Å; K200-L215 WeakPolarHBondContact CD-O 2.96Å; K200-L215 HydrophobicContact CG-CB 4.41Å; K200-L215 HydrophobicContact CG-CD2 4.06Å; K200-L215 HydrophobicContact CG-CG 4.21Å; A203-L215 HydrophobicContact CB-CD2 4.46Å; L204-L215 HydrophobicContact CD2-CD2 4.09Å; L204-L215 HydrophobicContact CG-CD2 4.11Å; L210-L215 HydrophobicContact CD2-CD1 4.08Å; L210-L215 HydrophobicContact CD2-CD2 3.62Å; L210-L215 HydrophobicContact CG-CD2 4.33Å; D213-L215 PolarHBondContact O-N 3.03Å; L215-G217 WeakPolarHBondContact CD1-O 3.44Å
216	V	94.8	Very high	92.5	Very high	58 Å²	58	39.1 Å²	39.1	35%	0.352	19%	0.19	S	C	.	.			trans	-94.7	-39.5	178.9	-179.2	0	0	0	0	110.5	V167 W170 L173 K214	V167-V216 WeakPolarHBondContact O-CB 3.49Å; V167-V216 PolarHBondContact O-N 3.16Å; W170-V216 HydrophobicContact CB-CG2 4.46Å; L173-V216 HydrophobicContact CD2-CG1 4.4Å; K214-V216 PolarHBondContact O-N 2.94Å
217	G	95.1	Very high	92.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-165.7	-178.1	0	0	0	0	0	110.1	V167 L198 L215	V167-G217 PolarHBondContact N-O 3.27Å; L198-G217 WeakPolarHBondContact O-CA 3.2Å; L215-G217 WeakPolarHBondContact CD1-O 3.44Å
218	A	94.8	Very high	93.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157.5	175.6	0	0	0	0	0	111.7	M164 L165 L198 A203	M164-A218 HydrophobicContact CG-CB 3.56Å; M164-A218 HydrophobicContact SD-CB 3.83Å; L165-A218 VanDerWaalsContact O-CA 3.28Å; L165-A218 WeakPolarHBondContact O-CA 3.35Å; L198-A218 HydrophobicContact CB-CB 4.26Å; L198-A218 PolarHBondContact N-O 2.72Å; L198-A218 PolarHBondContact O-N 2.83Å; A203-A218 HydrophobicContact CB-CB 4.04Å
219	I	95.1	Very high	93.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	134.4	170.2	-58.8	153.8	0	0	0	107.7	L165 V167 L173 Y176 W177 I180 L197	L165-I219 PolarHBondContact N-O 3.05Å; L165-I219 PolarHBondContact O-N 3.47Å; V167-I219 HydrophobicContact CG2-CD1 4.27Å; L173-I219 HydrophobicContact CD1-CD1 4.19Å; L173-I219 HydrophobicContact CD1-CG1 4.01Å; Y176-I219 HydrophobicContact CG-CD1 4.48Å; W177-I219 HydrophobicContact CB-CD1 4.34Å; W177-I219 HydrophobicContact CE3-CG2 4.02Å; W177-I219 HydrophobicContact CZ3-CG2 4.34Å; I180-I219 HydrophobicContact CB-CG2 4.4Å; I180-I219 HydrophobicContact CD1-CB 4.04Å; I180-I219 HydrophobicContact CD1-CD1 4.39Å; I180-I219 HydrophobicContact CD1-CG2 3.43Å; I180-I219 VanDerWaalsContact CD1-CG2 3.43Å; I180-I219 HydrophobicContact CG1-CG2 4.49Å; I180-I219 HydrophobicContact CG2-CG2 4.23Å; L197-I219 HydrophobicContact CD2-CG1 3.52Å
220	V	94.6	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130.4	174.2	-176.8	0	0	0	0	109.2	P162 I163 M164 S195 Y196 L198 Y222 M331	P162-V220 HydrophobicContact CB-CG1 3.71Å; I163-V220 WeakPolarHBondContact O-CA 3.46Å; M164-V220 HydrophobicContact CB-CG2 4.44Å; M164-V220 HydrophobicContact CG-CG2 4.42Å; S195-V220 CarbonylContact C-O 3.45Å; S195-V220 WeakPolarHBondContact CA-O 3.49Å; S195-V220 WeakPolarHBondContact CB-O 3.19Å; Y196-V220 HydrophobicContact CD1-CB 4.25Å; Y196-V220 HydrophobicContact CD2-CB 4.21Å; Y196-V220 HydrophobicContact CD2-CG2 4.35Å; Y196-V220 HydrophobicContact CE1-CB 3.8Å; Y196-V220 HydrophobicContact CE1-CG1 3.78Å; Y196-V220 HydrophobicContact CE2-CB 3.75Å; Y196-V220 HydrophobicContact CE2-CG1 4.38Å; Y196-V220 HydrophobicContact CE2-CG2 3.66Å; Y196-V220 HydrophobicContact CG-CB 4.44Å; Y196-V220 PolarHBondContact N-O 2.91Å; Y196-V220 PolarHBondContact O-N 3.23Å; L198-V220 HydrophobicContact CD1-CG2 3.61Å; L198-V220 HydrophobicContact CG-CG2 4.04Å; V220-Y222 HydrophobicContact CG1-CE2 4.49Å; V220-M331 HydrophobicContact CG1-CE 4.44Å; V220-M331 HydrophobicContact CG2-CE 4.42Å; V220-M331 HydrophobicContact CG2-SD 4.14Å
221	Y	93.3	Very high	94.5	Very high	9 Å²	9	27.7 Å²	27.7	4%	0.035	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	167.4	171.3	78.6	-83.8	0	0	0	110	V122 P162 I163 I180 D223 L334	V122-Y221 HydrophobicContact CG2-CD2 4.28Å; V122-Y221 HydrophobicContact CG2-CE2 3.96Å; P162-Y221 CarbonylContact C-O 3.59Å; P162-Y221 WeakPolarHBondContact CA-O 3.29Å; I163-Y221 HydrophobicContact CB-CD1 4.25Å; I163-Y221 HydrophobicContact CB-CE1 3.77Å; I163-Y221 HydrophobicContact CD1-CE2 4.31Å; I163-Y221 HydrophobicContact CG2-CE1 3.75Å; I163-Y221 PolarHBondContact N-O 2.98Å; I163-Y221 PolarHBondContact O-N 3.49Å; I163-Y221 VanDerWaalsContact O-N 3.1Å; I180-Y221 HydrophobicContact CD1-CD1 4.24Å; Y221-D223 HydrophobicContact CE2-CB 4.28Å; Y221-L334 HydrophobicContact CE1-CD2 3.96Å
222	Y	92.3	Very high	94.9	Very high	30 Å²	30	26.2 Å²	26.2	12%	0.118	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.1	-175.7	-69.5	-100.2	0	0	0	112	R147 P160 P162 Q193 Y196 V220	R147-Y222 PolarHBondContact NH1-O 3.41Å; R147-Y222 VanDerWaalsContact NH1-O 3.13Å; P160-Y222 HydrophobicContact CB-CD1 4.4Å; P162-Y222 HydrophobicContact CB-CD1 4.08Å; P162-Y222 HydrophobicContact CB-CE1 3.64Å; P162-Y222 HydrophobicContact CG-CE1 4.18Å; Q193-Y222 HydrophobicContact CB-CD1 4.08Å; Q193-Y222 HydrophobicContact CB-CD2 3.64Å; Q193-Y222 HydrophobicContact CB-CE1 4.06Å; Q193-Y222 HydrophobicContact CB-CE2 3.64Å; Q193-Y222 HydrophobicContact CB-CG 3.87Å; Q193-Y222 HydrophobicContact CG-CD1 4.41Å; Q193-Y222 HydrophobicContact CG-CE1 4.28Å; Q193-Y222 PolarHBondContact OE1-OH 3.11Å; Y196-Y222 HydrophobicContact CD1-CE2 4.37Å; Y196-Y222 AromaticContact CE1-CE2 3.94Å; Y196-Y222 HydrophobicContact CE1-CE2 3.94Å; V220-Y222 HydrophobicContact CG1-CE2 4.49Å
223	D	92.1	Very high	95.2	Very high	2 Å²	2	21 Å²	21	1%	0.011	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	178.2	167.4	-112.5	-25.5	0	0	0	109.9	H119 G120 R147 P160 L161 I163 L192 Y221	H119-D223 WeakPolarHBondContact CA-OD1 3.35Å; H119-D223 IonicContact CE1-OD2 3.32Å; H119-D223 IonicContact CG-OD2 3.09Å; H119-D223 IonicContact ND1-OD2 2.7Å; H119-D223 PolarHBondContact ND1-OD2 3.4Å; G120-D223 PolarHBondContact N-OD1 2.9Å; R147-D223 IonicContact CZ-OD1 3.97Å; R147-D223 IonicContact NH1-OD1 3.47Å; R147-D223 PolarHBondContact NH1-OD1 3.19Å; P160-D223 WeakPolarHBondContact CA-O 3.29Å; L161-D223 PolarHBondContact N-O 3.35Å; L161-D223 PolarHBondContact O-N 2.91Å; L161-D223 VanDerWaalsContact O-N 3.08Å; I163-D223 HydrophobicContact CD1-CB 3.87Å; L192-D223 WeakPolarHBondContact CD1-O 3.35Å; Y221-D223 HydrophobicContact CE2-CB 4.28Å
224	G	93.3	Very high	95.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	145	173.1	0	0	0	0	0	111.1	L117 I118	L117-G224 CarbonylContact C-O 3.51Å; L117-G224 WeakPolarHBondContact CA-O 3.46Å; L117-G224 WeakPolarHBondContact CD2-O 3.3Å; I118-G224 PolarHBondContact N-O 3.02Å; I118-G224 PolarHBondContact O-N 2.98Å
225	Q	95.1	Very high	95.9	Very high	33 Å²	33	8.4 Å²	8.4	15%	0.154	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	151.8	166.4	-167.7	-178.6	43.6	0	0	109.2	K116 L117 S158 A159 L161 P348	K116-Q225 WeakPolarHBondContact O-CA 3.49Å; K116-Q225 WeakPolarHBondContact O-CG 3.48Å; L117-Q225 HydrophobicContact CD2-CB 4.06Å; L117-Q225 HydrophobicContact CD2-CG 4.12Å; S158-Q225 CarbonylContact C-O 3.57Å; S158-Q225 WeakPolarHBondContact CA-O 3.36Å; S158-Q225 WeakPolarHBondContact CB-O 3.43Å; A159-Q225 PolarHBondContact N-O 3.34Å; A159-Q225 PolarHBondContact O-N 3.24Å; L161-Q225 HydrophobicContact CB-CB 3.94Å; L161-Q225 HydrophobicContact CD2-CB 4.2Å; L161-Q225 HydrophobicContact CD2-CG 4.44Å; Q225-P348 PolarHBondContact NE2-O 2.97Å; Q225-P348 PolarHBondContact OE1-O 3.06Å
226	H	96.6	Very high	96.1	Very high	5 Å²	5	8.1 Å²	8.1	2%	0.023	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	166.2	179	71.7	148.2	0	0	0	113	K116 I118 L157 D228 M231 W440	K116-H226 WeakPolarHBondContact CB-O 3.39Å; K116-H226 PolarHBondContact O-CD2 2.9Å; K116-H226 PolarHBondContact O-N 3.37Å; K116-H226 VanDerWaalsContact O-N 3.15Å; I118-H226 HydrophobicContact CD1-CB 3.7Å; I118-H226 HydrophobicContact CG1-CB 4.09Å; L157-H226 CarbonylContact O-C 3.56Å; L157-H226 WeakPolarHBondContact O-CA 3.39Å; L157-H226 WeakPolarHBondContact O-CB 3.44Å; H226-D228 VanDerWaalsContact CE1-CA 3.49Å; H226-D228 WeakPolarHBondContact CE1-CA 3.31Å; H226-D228 VanDerWaalsContact CE1-CB 3.44Å; H226-D228 WeakPolarHBondContact CE1-CB 3.48Å; H226-M231 HydrophobicContact CB-CE 4.13Å; H226-W440 AromaticContact CE1-CD2 3.21Å; H226-W440 AromaticContact CE1-CE2 3.26Å; H226-W440 AromaticContact CE1-CE3 3.22Å; H226-W440 AromaticContact CE1-CG 3.92Å; H226-W440 AromaticContact CE1-CH2 3.45Å; H226-W440 VanDerWaalsContact CE1-CH2 3.45Å; H226-W440 WeakPolarHBondContact CE1-CH2 3.31Å; H226-W440 AromaticContact CE1-CZ2 3.42Å; H226-W440 VanDerWaalsContact CE1-CZ2 3.42Å; H226-W440 WeakPolarHBondContact CE1-CZ2 3.09Å; H226-W440 AromaticContact CE1-CZ3 3.33Å; H226-W440 WeakPolarHBondContact CE1-CZ3 3.2Å; H226-W440 AromaticContact CE1-NE1 3.85Å; H226-W440 AromaticContact ND1-CD2 3.87Å; H226-W440 AromaticContact ND1-CE2 3.7Å; H226-W440 AromaticContact ND1-CE3 3.56Å; H226-W440 AromaticContact ND1-CH2 3.01Å; H226-W440 WeakPolarHBondContact ND1-CH2 3.38Å; H226-W440 AromaticContact ND1-CZ2 3.33Å; H226-W440 VanDerWaalsContact ND1-CZ2 3.33Å; H226-W440 WeakPolarHBondContact ND1-CZ2 3.3Å; H226-W440 AromaticContact ND1-CZ3 3.12Å; H226-W440 WeakPolarHBondContact ND1-CZ3 3.39Å
227	N	97.1	Very high	96.3	Very high	12 Å²	12	5.5 Å²	5.5	6%	0.064	3%	0.026	C	C	.	.			trans	-91.8	101.8	163.3	-169.6	-42.7	0	0	0	109.4	L157 A229 R230 M231 E350	L157-N227 PolarHBondContact O-N 3.45Å; N227-A229 PolarHBondContact O-N 3.16Å; N227-R230 HydrophobicContact CB-CB 4.06Å; N227-R230 WeakPolarHBondContact OD1-CB 3.47Å; N227-R230 PolarHBondContact OD1-N 3.12Å; N227-M231 VanDerWaalsContact O-CB 3.31Å; N227-M231 WeakPolarHBondContact O-CB 3.3Å; N227-M231 PolarHBondContact O-N 3.18Å; N227-E350 PolarHBondContact ND2-OE1 2.93Å
228	D	97.5	Very high	96.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-62.2	-44.1	-170.8	59.9	-8.1	0	0	0	114	S111 R113 S114 K116 H226 N232 R560	S111-D228 VanDerWaalsContact O-CB 3.29Å; S111-D228 WeakPolarHBondContact O-CB 3.34Å; S111-D228 VanDerWaalsContact O-CG 3.29Å; R113-D228 PolarHBondContact N-OD2 3.35Å; S114-D228 WeakPolarHBondContact CB-OD2 3.5Å; S114-D228 PolarHBondContact N-OD2 3.36Å; S114-D228 VanDerWaalsContact N-OD2 3.11Å; S114-D228 PolarHBondContact OG-OD2 3.16Å; K116-D228 IonicContact NZ-OD1 3.18Å; K116-D228 PolarHBondContact NZ-OD1 2.85Å; K116-D228 IonicContact NZ-OD2 3.28Å; K116-D228 PolarHBondContact NZ-OD2 3.23Å; H226-D228 VanDerWaalsContact CE1-CA 3.49Å; H226-D228 WeakPolarHBondContact CE1-CA 3.31Å; H226-D228 VanDerWaalsContact CE1-CB 3.44Å; H226-D228 WeakPolarHBondContact CE1-CB 3.48Å; D228-N232 PolarHBondContact O-N 2.83Å; D228-R560 IonicContact OD1-NH2 2.79Å
229	A	97.9	Very high	96.5	Very high	2 Å²	2	5.5 Å²	5.5	2%	0.017	3%	0.026	C	C	.	.	H	α-helix	trans	-69.1	-46.5	179.2	0	0	0	0	0	112.7	S107 N227 M231 N232 L233 R557 R560	S107-A229 WeakPolarHBondContact OG-CA 3.26Å; N227-A229 PolarHBondContact O-N 3.16Å; A229-M231 VanDerWaalsContact C-N 3.33Å; A229-M231 PolarHBondContact O-N 3.2Å; A229-N232 PolarHBondContact O-N 2.87Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 PolarHBondContact O-N 3.05Å; A229-R557 HydrophobicContact CB-CB 4.31Å; A229-R557 HydrophobicContact CB-CG 4.35Å; A229-R560 VanDerWaalsContact CB-NH1 3.29Å
230	R	97.8	Very high	96.7	Very high	7 Å²	7	5.5 Å²	5.5	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-63.3	-39.5	177.1	-83.2	-84.9	152.7	-164.9	-1.4	111.9	L157 N227 L233 A234 E546 R558	L157-R230 HydrophobicContact CD1-CB 4.38Å; L157-R230 HydrophobicContact CD2-CB 3.81Å; N227-R230 HydrophobicContact CB-CB 4.06Å; N227-R230 WeakPolarHBondContact OD1-CB 3.47Å; N227-R230 PolarHBondContact OD1-N 3.12Å; R230-L233 PolarHBondContact O-N 3.29Å; R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 3.45Å; R230-E546 IonicContact CZ-OE1 2.73Å; R230-E546 IonicContact CZ-OE2 2.76Å; R230-E546 IonicContact NH1-OE1 3.02Å; R230-E546 PolarHBondContact NH1-OE1 2.88Å; R230-E546 IonicContact NH1-OE2 3.28Å; R230-E546 PolarHBondContact NH1-OE2 3.38Å; R230-E546 IonicContact NH2-OE2 2.66Å; R230-E546 PolarHBondContact NH2-OE2 2.99Å; R230-R558 PolarHBondContact NE-O 3.18Å; R230-R558 PolarHBondContact NH2-O 3.15Å
231	M	98.1	Very high	96.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.4	-45.9	175.3	-173.5	97.9	57.6	0	0	111.6	L150 A154 L157 H226 N227 A229 L233 A234 I235 W440 L472	L150-M231 HydrophobicContact CD2-CE 4.09Å; L150-M231 HydrophobicContact CD2-SD 4.13Å; A154-M231 HydrophobicContact CB-CE 3.87Å; A154-M231 HydrophobicContact CB-SD 3.35Å; A154-M231 WeakPolarHBondContact CB-SD 3.42Å; L157-M231 HydrophobicContact CB-CE 3.83Å; L157-M231 HydrophobicContact CB-SD 4.32Å; L157-M231 HydrophobicContact CD1-CB 4.25Å; L157-M231 HydrophobicContact CD1-SD 4.27Å; H226-M231 HydrophobicContact CB-CE 4.13Å; N227-M231 VanDerWaalsContact O-CB 3.31Å; N227-M231 WeakPolarHBondContact O-CB 3.3Å; N227-M231 PolarHBondContact O-N 3.18Å; A229-M231 VanDerWaalsContact C-N 3.33Å; A229-M231 PolarHBondContact O-N 3.2Å; M231-L233 VanDerWaalsContact C-N 3.26Å; M231-L233 PolarHBondContact O-N 2.92Å; M231-A234 PolarHBondContact O-N 2.71Å; M231-A234 VanDerWaalsContact O-N 3.13Å; M231-I235 HydrophobicContact CG-CD1 4.08Å; M231-I235 HydrophobicContact CG-CG1 4.5Å; M231-I235 VanDerWaalsContact O-CG1 3.3Å; M231-I235 WeakPolarHBondContact O-CG1 3.23Å; M231-I235 PolarHBondContact O-N 3.23Å; M231-W440 HydrophobicContact CB-CH2 3.97Å; M231-W440 HydrophobicContact CB-CZ2 3.68Å; M231-W440 HydrophobicContact CE-CH2 4.08Å; M231-W440 HydrophobicContact CG-CH2 3.5Å; M231-W440 VanDerWaalsContact CG-CH2 3.5Å; M231-W440 HydrophobicContact CG-CZ2 3.53Å; M231-W440 HydrophobicContact SD-CH2 4.34Å; M231-L472 HydrophobicContact CG-CD1 4.3Å; M231-L472 HydrophobicContact SD-CD1 3.71Å
232	N	98.6	Very high	96.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-58.2	-42.2	176.5	-177.4	66.9	0	0	0	112	G80 G81 A82 A85 S107 D228 A229 I235 A236	G80-N232 PolarHBondContact O-ND2 3.45Å; G81-N232 PolarHBondContact O-OD1 3.42Å; A82-N232 WeakPolarHBondContact CA-OD1 3.36Å; A82-N232 PolarHBondContact N-OD1 3.39Å; A85-N232 WeakPolarHBondContact CB-OD1 3.48Å; S107-N232 WeakPolarHBondContact CA-ND2 3.5Å; S107-N232 VanDerWaalsContact CB-ND2 3.33Å; S107-N232 WeakPolarHBondContact CB-ND2 3.5Å; S107-N232 PolarHBondContact N-ND2 3.37Å; S107-N232 VanDerWaalsContact N-ND2 3.1Å; D228-N232 PolarHBondContact O-N 2.83Å; A229-N232 PolarHBondContact O-N 2.87Å; N232-I235 PolarHBondContact O-N 2.93Å; N232-A236 PolarHBondContact O-N 2.92Å
233	L	98.4	Very high	97	Very high	4 Å²	4	7.5 Å²	7.5	2%	0.021	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-47.6	174.2	-177.7	63.7	0	0	0	111.1	F106 A229 R230 M231 I235 A236 L237 E546 R558	F106-L233 HydrophobicContact CB-CD1 4.43Å; F106-L233 HydrophobicContact CD2-CD1 4.29Å; A229-L233 WeakPolarHBondContact O-CB 3.39Å; A229-L233 PolarHBondContact O-N 3.05Å; R230-L233 PolarHBondContact O-N 3.29Å; M231-L233 VanDerWaalsContact C-N 3.26Å; M231-L233 PolarHBondContact O-N 2.92Å; L233-I235 VanDerWaalsContact C-N 3.28Å; L233-I235 PolarHBondContact O-N 3.43Å; L233-A236 PolarHBondContact O-N 3.41Å; L233-A236 VanDerWaalsContact O-N 3.11Å; L233-L237 HydrophobicContact CD1-CD1 4.14Å; L233-L237 HydrophobicContact CD1-CD2 4.18Å; L233-L237 HydrophobicContact CD1-CG 3.95Å; L233-L237 HydrophobicContact CG-CD1 3.91Å; L233-L237 HydrophobicContact CG-CG 4.09Å; L233-L237 WeakPolarHBondContact O-CB 3.5Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.38Å; L233-L237 PolarHBondContact O-N 3.18Å; L233-E546 HydrophobicContact CD2-CB 4.17Å; L233-R558 VanDerWaalsContact CD2-CD 3.43Å; L233-R558 VanDerWaalsContact CD2-NE 3.34Å
234	A	98.3	Very high	97.3	Very high	7 Å²	7	7.4 Å²	7.4	6%	0.058	5%	0.052	C	C	.	.	H	α-helix	trans	-57.8	-39.9	177.1	0	0	0	0	0	112.1	L157 R230 M231 T238 L472 E473	L157-A234 HydrophobicContact CD1-CB 3.9Å; R230-A234 WeakPolarHBondContact O-CB 3.48Å; R230-A234 PolarHBondContact O-N 3.45Å; M231-A234 PolarHBondContact O-N 2.71Å; M231-A234 VanDerWaalsContact O-N 3.13Å; A234-T238 VanDerWaalsContact O-CB 3.29Å; A234-T238 WeakPolarHBondContact O-CB 3.42Å; A234-T238 PolarHBondContact O-N 3.39Å; A234-T238 PolarHBondContact O-OG1 2.87Å; A234-L472 HydrophobicContact CB-CB 4.22Å; A234-L472 HydrophobicContact CB-CD1 4.47Å; A234-E473 HydrophobicContact CB-CB 4.38Å
235	I	98.6	Very high	97.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.8	-50.5	174.1	-64.2	159.2	0	0	0	110.5	A85 L89 M231 N232 L233 T238 A239 Y443 L472	A85-I235 VanDerWaalsContact C-CG2 3.48Å; A85-I235 HydrophobicContact CB-CB 4.27Å; A85-I235 HydrophobicContact CB-CG2 3.78Å; A85-I235 WeakPolarHBondContact O-CG2 3.47Å; L89-I235 HydrophobicContact CB-CG2 4.19Å; L89-I235 HydrophobicContact CD2-CG2 4Å; M231-I235 HydrophobicContact CG-CD1 4.08Å; M231-I235 HydrophobicContact CG-CG1 4.5Å; M231-I235 VanDerWaalsContact O-CG1 3.3Å; M231-I235 WeakPolarHBondContact O-CG1 3.23Å; M231-I235 PolarHBondContact O-N 3.23Å; N232-I235 PolarHBondContact O-N 2.93Å; L233-I235 VanDerWaalsContact C-N 3.28Å; L233-I235 PolarHBondContact O-N 3.43Å; I235-T238 PolarHBondContact O-N 3.31Å; I235-A239 PolarHBondContact O-N 3.24Å; I235-Y443 HydrophobicContact CD1-CD2 3.98Å; I235-Y443 HydrophobicContact CD1-CE1 4.3Å; I235-Y443 HydrophobicContact CD1-CE2 3.33Å; I235-Y443 HydrophobicContact CG1-CE2 4.1Å; I235-Y443 HydrophobicContact CG2-CE2 4.36Å; I235-L472 HydrophobicContact CG1-CD1 3.61Å; I235-L472 HydrophobicContact CG1-CD2 4.2Å
236	A	98.6	Very high	97.7	Very high	1 Å²	1	6.2 Å²	6.2	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-61.7	-47.8	179.9	0	0	0	0	0	111.8	A85 F106 N232 L233 T238 A239 A240 I246	A85-A236 HydrophobicContact CB-CB 4.18Å; F106-A236 HydrophobicContact CD1-CB 4.31Å; F106-A236 HydrophobicContact CG-CB 4.42Å; N232-A236 PolarHBondContact O-N 2.92Å; L233-A236 PolarHBondContact O-N 3.41Å; L233-A236 VanDerWaalsContact O-N 3.11Å; A236-T238 VanDerWaalsContact C-N 3.3Å; A236-T238 PolarHBondContact O-N 3.48Å; A236-A239 WeakPolarHBondContact O-CB 3.33Å; A236-A239 PolarHBondContact O-N 3.24Å; A236-A239 VanDerWaalsContact O-N 3.1Å; A236-A240 PolarHBondContact O-N 2.88Å; A236-I246 HydrophobicContact CB-CD1 4.03Å; A236-I246 WeakPolarHBondContact O-CD1 3.35Å
237	L	98.1	Very high	97.8	Very high	2 Å²	2	6 Å²	6	1%	0.01	5%	0.047	C	C	.	.	H	α-helix	trans	-63.8	-35.6	178.1	-63.2	-174.8	0	0	0	112.1	L57 L233 A239 A240 R241 E473 E546 Y547	L57-L237 HydrophobicContact CD1-CB 4.31Å; L57-L237 HydrophobicContact CD1-CD2 4.08Å; L57-L237 HydrophobicContact CD2-CD1 4.33Å; L57-L237 HydrophobicContact CD2-CD2 3.76Å; L233-L237 HydrophobicContact CD1-CD1 4.14Å; L233-L237 HydrophobicContact CD1-CD2 4.18Å; L233-L237 HydrophobicContact CD1-CG 3.95Å; L233-L237 HydrophobicContact CG-CD1 3.91Å; L233-L237 HydrophobicContact CG-CG 4.09Å; L233-L237 WeakPolarHBondContact O-CB 3.5Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.38Å; L233-L237 PolarHBondContact O-N 3.18Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A240 WeakPolarHBondContact O-CB 3.43Å; L237-A240 PolarHBondContact O-N 2.92Å; L237-R241 WeakPolarHBondContact O-CG 3.48Å; L237-R241 PolarHBondContact O-N 3Å; L237-E473 HydrophobicContact CB-CB 4.41Å; L237-E473 HydrophobicContact CB-CG 4.41Å; L237-E546 HydrophobicContact CD1-CB 4.04Å; L237-E546 HydrophobicContact CD1-CG 3.85Å; L237-Y547 HydrophobicContact CD2-CD2 3.58Å; L237-Y547 HydrophobicContact CD2-CE2 3.4Å; L237-Y547 VanDerWaalsContact CD2-CE2 3.4Å
238	T	97.8	Very high	97.9	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	4%	0.044	C	C	.	.	H	α-helix	trans	-63.2	-41.5	173.4	-53.7	0	0	0	0	110.7	L89 A234 I235 A236 R241 H242 L472 E473	L89-T238 HydrophobicContact CD1-CG2 3.76Å; L89-T238 HydrophobicContact CD2-CG2 4.5Å; A234-T238 VanDerWaalsContact O-CB 3.29Å; A234-T238 WeakPolarHBondContact O-CB 3.42Å; A234-T238 PolarHBondContact O-N 3.39Å; A234-T238 PolarHBondContact O-OG1 2.87Å; I235-T238 PolarHBondContact O-N 3.31Å; A236-T238 VanDerWaalsContact C-N 3.3Å; A236-T238 PolarHBondContact O-N 3.48Å; T238-R241 PolarHBondContact O-N 3.21Å; T238-H242 PolarHBondContact O-CD2 2.94Å; T238-H242 PolarHBondContact O-N 3Å; T238-H242 VanDerWaalsContact O-N 3.07Å; T238-L472 HydrophobicContact CG2-CD2 4.36Å; T238-E473 PolarHBondContact OG1-N 3.11Å
239	A	98.2	Very high	97.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.4	-43.5	174.5	0	0	0	0	0	111.8	A88 L89 V92 I235 A236 L237 R241 H242 G243 A244	A88-A239 HydrophobicContact CB-CB 4.29Å; L89-A239 HydrophobicContact CB-CB 4.09Å; L89-A239 HydrophobicContact CD1-CB 4.26Å; V92-A239 HydrophobicContact CG1-CB 4.34Å; I235-A239 PolarHBondContact O-N 3.24Å; A236-A239 WeakPolarHBondContact O-CB 3.33Å; A236-A239 PolarHBondContact O-N 3.24Å; A236-A239 VanDerWaalsContact O-N 3.1Å; L237-A239 VanDerWaalsContact C-N 3.33Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.02Å; A239-H242 CarbonylContact O-C 3.58Å; A239-H242 PolarHBondContact O-N 2.84Å; A239-H242 VanDerWaalsContact O-N 3.13Å; A239-G243 PolarHBondContact O-N 3.25Å; A239-A244 HydrophobicContact CB-CB 4.09Å; A239-A244 VanDerWaalsContact O-CB 3.29Å; A239-A244 WeakPolarHBondContact O-CB 3.44Å; A239-A244 PolarHBondContact O-N 3.45Å
240	A	98	Very high	97.9	Very high	1 Å²	1	6.5 Å²	6.5	1%	0.008	5%	0.048	C	C	.	.	H	α-helix	trans	-59	-43.4	175	0	0	0	0	0	112.5	L57 A236 L237 H242 G243 I246	L57-A240 HydrophobicContact CD1-CB 4.06Å; A236-A240 PolarHBondContact O-N 2.88Å; L237-A240 WeakPolarHBondContact O-CB 3.43Å; L237-A240 PolarHBondContact O-N 2.92Å; A240-H242 PolarHBondContact O-N 3.32Å; A240-G243 PolarHBondContact O-N 3.36Å; A240-I246 HydrophobicContact CB-CD1 3.7Å; A240-I246 HydrophobicContact CB-CG1 3.97Å
241	R	95.7	Very high	98	Very high	9 Å²	9	8.3 Å²	8.3	3%	0.034	6%	0.056	C	C	.	.	H	α-helix	trans	-64.5	-30.4	176.2	-73	-171.4	179.6	-77.8	0.6	113	F53 A54 N55 E56 L57 L237 T238 A239 G243 E473	F53-R241 CarbonylContact C-O 3.51Å; F53-R241 WeakPolarHBondContact CA-O 3.43Å; F53-R241 HydrophobicContact CD2-CB 3.99Å; F53-R241 HydrophobicContact CE2-CB 3.69Å; F53-R241 HydrophobicContact CE2-CG 4.44Å; F53-R241 HydrophobicContact CZ-CB 4.15Å; F53-R241 VanDerWaalsContact CZ-CD 3.46Å; F53-R241 HydrophobicContact CZ-CG 4.46Å; A54-R241 PolarHBondContact N-O 3.45Å; A54-R241 PolarHBondContact O-NH1 3.26Å; N55-R241 PolarHBondContact O-NH1 3.49Å; E56-R241 PolarHBondContact O-NH1 3.45Å; L57-R241 HydrophobicContact CD1-CG 4.01Å; L237-R241 WeakPolarHBondContact O-CG 3.48Å; L237-R241 PolarHBondContact O-N 3Å; T238-R241 PolarHBondContact O-N 3.21Å; A239-R241 VanDerWaalsContact C-N 3.35Å; A239-R241 PolarHBondContact O-N 3.02Å; R241-G243 PolarHBondContact O-N 2.87Å; R241-E473 VanDerWaalsContact CD-OE2 3.28Å; R241-E473 WeakPolarHBondContact CD-OE2 3.43Å; R241-E473 IonicContact CZ-OE1 3.64Å; R241-E473 VanDerWaalsContact CZ-OE1 3.29Å; R241-E473 IonicContact CZ-OE2 3.99Å; R241-E473 IonicContact NE-OE1 2.84Å; R241-E473 PolarHBondContact NE-OE1 3.37Å; R241-E473 IonicContact NE-OE2 3.27Å; R241-E473 PolarHBondContact NE-OE2 3.33Å; R241-E473 IonicContact NH2-OE1 3.83Å; R241-E473 PolarHBondContact NH2-OE1 3.38Å; R241-E473 IonicContact NH2-OE2 3.29Å
242	H	95.9	Very high	98	Very high	12 Å²	12	9 Å²	9	6%	0.056	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	2.1	172.3	-77.2	-63.6	0	0	0	114.1	V51 L52 F53 V92 T238 A239 A240	V51-H242 HydrophobicContact CG1-CB 4.27Å; V51-H242 WeakPolarHBondContact CG1-O 3.43Å; L52-H242 CarbonylContact O-C 3.57Å; L52-H242 VanDerWaalsContact O-CA 3.28Å; L52-H242 WeakPolarHBondContact O-CA 3.04Å; F53-H242 AromaticContact CD2-CE1 3.61Å; F53-H242 AromaticContact CD2-ND1 3.94Å; F53-H242 AromaticContact CD2-NE2 3.85Å; V92-H242 HydrophobicContact CG1-CB 3.68Å; V92-H242 HydrophobicContact CG2-CB 4.11Å; V92-H242 WeakPolarHBondContact CG2-O 3.33Å; T238-H242 PolarHBondContact O-CD2 2.94Å; T238-H242 PolarHBondContact O-N 3Å; T238-H242 VanDerWaalsContact O-N 3.07Å; A239-H242 CarbonylContact O-C 3.58Å; A239-H242 PolarHBondContact O-N 2.84Å; A239-H242 VanDerWaalsContact O-N 3.13Å; A240-H242 PolarHBondContact O-N 3.32Å
243	G	95.8	Very high	98	Very high	59 Å²	59	11.3 Å²	11.3	61%	0.608	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	96	12.8	174.7	0	0	0	0	0	115.1	A239 A240 R241	A239-G243 PolarHBondContact O-N 3.25Å; A240-G243 PolarHBondContact O-N 3.36Å; R241-G243 PolarHBondContact O-N 2.87Å
244	A	97.9	Very high	97.9	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.008	9%	0.093	C	C	.	.			trans	-70.3	135.7	170.2	0	0	0	0	0	109.9	Q63 V92 T98 A239 I246	Q63-A244 PolarHBondContact OE1-O 3.03Å; Q63-A244 VanDerWaalsContact OE1-O 3.11Å; V92-A244 HydrophobicContact CB-CB 4.08Å; V92-A244 HydrophobicContact CG1-CB 4.31Å; V92-A244 HydrophobicContact CG2-CB 4.11Å; T98-A244 HydrophobicContact CG2-CB 4.25Å; A239-A244 HydrophobicContact CB-CB 4.09Å; A239-A244 VanDerWaalsContact O-CB 3.29Å; A239-A244 WeakPolarHBondContact O-CB 3.44Å; A239-A244 PolarHBondContact O-N 3.45Å; A244-I246 HydrophobicContact CB-CG2 3.83Å; A244-I246 PolarHBondContact O-N 2.95Å
245	A	98.5	Very high	97.8	Very high	5 Å²	5	15.7 Å²	15.7	4%	0.041	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	104.5	173.2	0	0	0	0	0	109	A66 L67 F73 T98 A99 L100	A66-A245 HydrophobicContact CB-CB 4Å; L67-A245 HydrophobicContact CD2-CB 3.77Å; L67-A245 HydrophobicContact CG-CB 4Å; F73-A245 HydrophobicContact CE1-CB 3.76Å; F73-A245 HydrophobicContact CZ-CB 3.78Å; T98-A245 PolarHBondContact O-N 3.34Å; A99-A245 CarbonylContact C-O 3.47Å; A99-A245 VanDerWaalsContact CA-O 3.27Å; A99-A245 WeakPolarHBondContact CA-O 3.31Å; L100-A245 PolarHBondContact N-O 3.13Å
246	I	98.5	Very high	97.8	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.4	-174.1	77.3	174.9	0	0	0	112.6	Q63 L100 F106 A236 A240 A244 Y547	Q63-I246 WeakPolarHBondContact CB-O 3.09Å; Q63-I246 WeakPolarHBondContact CG-O 3.42Å; L100-I246 HydrophobicContact CB-CB 4.24Å; L100-I246 HydrophobicContact CB-CG2 3.83Å; L100-I246 HydrophobicContact CD2-CB 4.28Å; L100-I246 VanDerWaalsContact O-CA 3.32Å; L100-I246 WeakPolarHBondContact O-CA 3.42Å; F106-I246 HydrophobicContact CE2-CD1 4.41Å; F106-I246 HydrophobicContact CZ-CB 4.28Å; F106-I246 HydrophobicContact CZ-CD1 3.98Å; F106-I246 HydrophobicContact CZ-CG1 4.04Å; A236-I246 HydrophobicContact CB-CD1 4.03Å; A236-I246 WeakPolarHBondContact O-CD1 3.35Å; A240-I246 HydrophobicContact CB-CD1 3.7Å; A240-I246 HydrophobicContact CB-CG1 3.97Å; A244-I246 HydrophobicContact CB-CG2 3.83Å; A244-I246 PolarHBondContact O-N 2.95Å; I246-Y547 HydrophobicContact CD1-CE2 4.19Å; I246-Y547 HydrophobicContact CG1-CE2 4.22Å
247	A	98.4	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.008	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	124.4	177.3	0	0	0	0	0	112.7	L64 L67 L100 E102 T250	L64-A247 HydrophobicContact CD2-CB 3.73Å; L64-A247 HydrophobicContact CG-CB 4.32Å; L67-A247 HydrophobicContact CD1-CB 3.53Å; L100-A247 PolarHBondContact O-N 3.41Å; E102-A247 PolarHBondContact N-O 3.43Å; A247-T250 WeakPolarHBondContact CB-OG1 3.48Å
248	N	98.4	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-77.6	164	161.2	66.8	-15.9	0	0	0	110.4	R60 E102 S104 D105 F106 T250 Y547	R60-N248 WeakPolarHBondContact CD-OD1 3.06Å; R60-N248 PolarHBondContact NE-OD1 3.03Å; R60-N248 PolarHBondContact NH2-O 3.14Å; E102-N248 CarbonylContact O-C 3.58Å; S104-N248 WeakPolarHBondContact O-CB 3.26Å; D105-N248 PolarHBondContact OD1-ND2 2.93Å; F106-N248 HydrophobicContact CD2-CB 3.89Å; F106-N248 HydrophobicContact CE1-CB 4.35Å; F106-N248 HydrophobicContact CE2-CB 3.69Å; F106-N248 HydrophobicContact CG-CB 4.33Å; F106-N248 HydrophobicContact CZ-CB 3.95Å; N248-T250 PolarHBondContact O-N 3.17Å; N248-T250 PolarHBondContact O-OG1 2.84Å; N248-Y547 PolarHBondContact ND2-O 2.98Å
249	Y	98.4	Very high	96.9	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.094	16%	0.164	C	C	.	.	S	Bend	trans	54.4	38.1	-173.3	-62.1	-82.7	0	0	0	113.8	E102 R103 S104 D105 A275 I276 L277 C549 T550 D553	E102-Y249 PolarHBondContact O-N 3.07Å; R103-Y249 WeakPolarHBondContact O-CA 3.42Å; S104-Y249 PolarHBondContact O-N 2.71Å; D105-Y249 HydrophobicContact CB-CE2 4.04Å; Y249-A275 CarbonylContact O-C 3.58Å; Y249-A275 WeakPolarHBondContact O-CA 3.5Å; Y249-I276 PolarHBondContact O-N 2.82Å; Y249-L277 HydrophobicContact CD1-CD2 4.09Å; Y249-L277 HydrophobicContact CD1-CG 4.48Å; Y249-L277 HydrophobicContact CD2-CD1 4.35Å; Y249-L277 HydrophobicContact CG-CD1 4.25Å; Y249-L277 HydrophobicContact CG-CD2 4.15Å; Y249-L277 HydrophobicContact CG-CG 4.1Å; Y249-C549 HydrophobicContact CD2-CB 3.8Å; Y249-C549 HydrophobicContact CE2-CB 3.65Å; Y249-T550 HydrophobicContact CE1-CG2 4.11Å; Y249-T550 HydrophobicContact CE2-CG2 4.46Å; Y249-T550 WeakPolarHBondContact OH-CG2 3.26Å; Y249-T550 PolarHBondContact OH-OG1 3.12Å; Y249-D553 WeakPolarHBondContact CE2-OD2 3.43Å; Y249-D553 PolarHBondContact OH-OD1 3.24Å; Y249-D553 PolarHBondContact OH-OD2 3.35Å
250	T	98.6	Very high	96.2	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	104.7	176.9	-55	0	0	0	0	109.1	V101 E102 R103 A247 N248 C273 R274 F282	V101-T250 HydrophobicContact CB-CG2 4.08Å; V101-T250 HydrophobicContact CG1-CG2 3.77Å; E102-T250 CarbonylContact C-O 3.55Å; E102-T250 VanDerWaalsContact C-O 3.24Å; E102-T250 PolarHBondContact O-N 3.11Å; R103-T250 PolarHBondContact N-O 3.27Å; A247-T250 WeakPolarHBondContact CB-OG1 3.48Å; N248-T250 PolarHBondContact O-N 3.17Å; N248-T250 PolarHBondContact O-OG1 2.84Å; T250-C273 HydrophobicContact CG2-CB 3.93Å; T250-R274 WeakPolarHBondContact CA-O 3.26Å; T250-F282 HydrophobicContact CG2-CE1 4.47Å; T250-F282 HydrophobicContact CG2-CZ 3.87Å
251	E	98.3	Very high	95.2	Very high	44 Å²	44	42 Å²	42	21%	0.206	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.8	-176.1	-174.6	172.2	-143.4	0	0	111.4	R103 V253 C273 R274 I276	R103-E251 HydrophobicContact CB-CB 4.41Å; R103-E251 HydrophobicContact CB-CG 4.45Å; R103-E251 WeakPolarHBondContact CD-OE1 3.37Å; R103-E251 HydrophobicContact CG-CB 3.9Å; R103-E251 HydrophobicContact CG-CG 3.83Å; E251-V253 PolarHBondContact O-N 2.83Å; E251-C273 CarbonylContact O-C 3.6Å; E251-C273 WeakPolarHBondContact O-CA 3.43Å; E251-R274 PolarHBondContact N-O 3.47Å; E251-R274 PolarHBondContact O-N 3.01Å; E251-R274 IonicContact OE2-CZ 2.77Å; E251-R274 IonicContact OE2-NE 3.53Å; E251-R274 IonicContact OE2-NH2 2.71Å; E251-R274 PolarHBondContact OE2-NH2 3.39Å; E251-I276 HydrophobicContact CB-CD1 4.23Å; E251-I276 HydrophobicContact CB-CG1 4.23Å
252	V	98.6	Very high	94.2	Very high	15 Å²	15	51 Å²	51	9%	0.091	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.1	163.4	171.3	0	0	0	0	109	V78 V101 L255 A271 L300 M303	V78-V252 HydrophobicContact CB-CG2 4.47Å; V78-V252 HydrophobicContact CG1-CB 4.2Å; V78-V252 HydrophobicContact CG1-CG2 3.73Å; V78-V252 HydrophobicContact CG2-CG2 3.87Å; V101-V252 HydrophobicContact CG2-CG2 3.62Å; V252-L255 HydrophobicContact CG1-CD2 4.31Å; V252-A271 HydrophobicContact CB-CB 4.5Å; V252-A271 HydrophobicContact CG1-CB 3.81Å; V252-A271 HydrophobicContact CG2-CB 3.95Å; V252-L300 HydrophobicContact CB-CD1 4.49Å; V252-L300 HydrophobicContact CG1-CD1 3.95Å; V252-M303 HydrophobicContact CG1-SD 3.96Å
253	V	97.9	Very high	93.4	Very high	48 Å²	48	54.7 Å²	54.7	29%	0.291	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-44.5	-178.4	-178.1	0	0	0	0	110.9	E251 H272 R274 M303	E251-V253 PolarHBondContact O-N 2.83Å; V253-H272 PolarHBondContact N-O 3.06Å; V253-R274 HydrophobicContact CG2-CB 3.68Å; V253-M303 VanDerWaalsContact O-CE 3.31Å; V253-M303 WeakPolarHBondContact O-CE 3.41Å
254	H	96.6	Very high	92.7	Very high	89 Å²	89	54.5 Å²	54.5	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	156.5	172.9	60.8	-89.7	0	0	0	111.6	H272 M303	H254-H272 WeakPolarHBondContact CE1-CB 3.44Å; H254-H272 AromaticContact CE1-CD2 3.25Å; H254-H272 PolarHBondContact CE1-CD2 3.34Å; H254-H272 AromaticContact CE1-CG 3.27Å; H254-H272 AromaticContact ND1-CD2 3.63Å; H254-H272 AromaticContact ND1-CG 3.87Å; H254-H272 VanDerWaalsContact NE2-CB 3.33Å; H254-H272 WeakPolarHBondContact NE2-CB 3.45Å; H254-H272 AromaticContact NE2-CG 3.7Å; H254-H272 PolarHBondContact O-N 2.75Å; H254-M303 WeakPolarHBondContact CA-SD 3.38Å
255	L	97.9	Very high	92	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.079	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	139.6	177.8	-68.2	176.2	0	0	0	111.3	V252 L268 A271 V289 L300 M303 D304	V252-L255 HydrophobicContact CG1-CD2 4.31Å; L255-L268 HydrophobicContact CB-CD2 3.63Å; L255-L268 HydrophobicContact CD1-CD1 4.33Å; L255-L268 HydrophobicContact CD1-CD2 3.95Å; L255-L268 HydrophobicContact CG-CD2 4.25Å; L255-A271 HydrophobicContact CD2-CB 4.28Å; L255-V289 HydrophobicContact CD2-CG1 4.13Å; L255-L300 HydrophobicContact CD2-CD1 4.33Å; L255-M303 HydrophobicContact CD1-CG 4.49Å; L255-M303 HydrophobicContact CG-CG 4.16Å; L255-M303 HydrophobicContact CG-SD 3.94Å; L255-D304 HydrophobicContact CD1-CB 3.71Å
256	L	97.2	Very high	91.6	Very high	19 Å²	19	67.4 Å²	67.4	10%	0.099	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.8	177.3	-59.7	174	0	0	0	109.7	L268 C269 G270 H272 D283	L256-L268 WeakPolarHBondContact O-CA 3.34Å; L256-C269 PolarHBondContact O-N 3.15Å; L256-G270 PolarHBondContact N-O 3.05Å; L256-H272 HydrophobicContact CD2-CB 4.16Å; L256-D283 HydrophobicContact CD1-CB 3.84Å
257	K	94.8	Very high	91.3	Very high	69 Å²	69	70.1 Å²	70.1	30%	0.3	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.6	-179.9	-66.5	179.5	178.2	-165.9	0	110.9	E266 Q267 L268 D304	K257-E266 HydrophobicContact CD-CB 4.46Å; K257-E266 WeakPolarHBondContact CD-OE2 3.48Å; K257-E266 IonicContact NZ-OE2 3.15Å; K257-Q267 CarbonylContact C-O 3.55Å; K257-Q267 WeakPolarHBondContact CA-O 3.11Å; K257-L268 HydrophobicContact CG-CD2 3.76Å; K257-D304 WeakPolarHBondContact CE-OD1 3.28Å; K257-D304 PolarHBondContact NZ-O 3.45Å; K257-D304 IonicContact NZ-OD1 3.37Å; K257-D304 PolarHBondContact NZ-OD1 3.06Å
258	T	92.7	Very high	91.2	Very high	73 Å²	73	70.5 Å²	70.5	45%	0.448	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	156.2	170.2	-170.2	0	0	0	0	109.8	E266 Q267 C269	T258-E266 CarbonylContact O-C 3.59Å; T258-E266 WeakPolarHBondContact O-CA 3.45Å; T258-Q267 PolarHBondContact N-O 2.95Å; T258-Q267 PolarHBondContact O-N 3.48Å; T258-C269 HydrophobicContact CG2-CB 3.99Å
259	K	89.5	Confident	91.1	Very high	150 Å²	150	71.3 Å²	71.3	65%	0.652	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.6	173.2	-72.6	-174.6	178.3	-179.6	0	109.3	Q261	K259-Q261 PolarHBondContact O-N 3.32Å
260	N	81.6	Confident	91	Very high	48 Å²	48	70.2 Å²	70.2	26%	0.257	35%	0.348	S	S	.	.			trans	-67.8	119.8	174.5	-173.3	-50	0	0	0	109.4	K262 T263 G264 R265 Q267	N260-K262 PolarHBondContact O-N 3.1Å; N260-K262 VanDerWaalsContact O-N 3.17Å; N260-K262 PolarHBondContact OD1-N 3.22Å; N260-T263 WeakPolarHBondContact CB-OG1 3.45Å; N260-T263 PolarHBondContact O-N 2.87Å; N260-T263 PolarHBondContact OD1-N 2.96Å; N260-G264 WeakPolarHBondContact O-CA 3.03Å; N260-G264 PolarHBondContact O-N 3.39Å; N260-R265 PolarHBondContact N-O 2.92Å; N260-Q267 PolarHBondContact ND2-OE1 2.86Å
261	Q	77.4	Confident	91	Very high	198 Å²	198	70.1 Å²	70.1	93%	0.925	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.9	-175.1	-66.2	-179.5	-6.7	0	0	113.7	K259	K259-Q261 PolarHBondContact O-N 3.32Å
262	K	76.2	Confident	91	Very high	199 Å²	199	69.3 Å²	69.3	87%	0.865	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-34.3	-179.1	-66	-175.8	179	-179.8	0	113.4	N260	N260-K262 PolarHBondContact O-N 3.1Å; N260-K262 VanDerWaalsContact O-N 3.17Å; N260-K262 PolarHBondContact OD1-N 3.22Å
263	T	78.4	Confident	91	Very high	88 Å²	88	68.6 Å²	68.6	54%	0.54	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-12.8	-172.8	62.5	0	0	0	0	113.6	N260 R265	N260-T263 WeakPolarHBondContact CB-OG1 3.45Å; N260-T263 PolarHBondContact O-N 2.87Å; N260-T263 PolarHBondContact OD1-N 2.96Å; T263-R265 PolarHBondContact O-N 3.29Å; T263-R265 VanDerWaalsContact O-N 3.13Å; T263-R265 PolarHBondContact OG1-N 3.02Å
264	G	79.8	Confident	91	Very high	55 Å²	55	70.5 Å²	70.5	57%	0.567	34%	0.342	S	S	*	.			trans	69	-0.8	-174.7	0	0	0	0	0	114.5	N260	N260-G264 WeakPolarHBondContact O-CA 3.03Å; N260-G264 PolarHBondContact O-N 3.39Å
265	R	84.3	Confident	91.1	Very high	176 Å²	176	66.4 Å²	66.4	66%	0.664	32%	0.324	S	S	*	.			trans	-81.5	150.6	-178.4	-64.2	-173.6	-179.7	-175.1	-0.7	111.4	N260 T263	N260-R265 PolarHBondContact N-O 2.92Å; T263-R265 PolarHBondContact O-N 3.29Å; T263-R265 VanDerWaalsContact O-N 3.13Å; T263-R265 PolarHBondContact OG1-N 3.02Å
266	E	90.1	Very high	91	Very high	102 Å²	102	69.2 Å²	69.2	48%	0.477	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137.7	170.1	-63.9	-171.8	161.8	0	0	110.5	K257 T258 T430	K257-E266 HydrophobicContact CD-CB 4.46Å; K257-E266 WeakPolarHBondContact CD-OE2 3.48Å; K257-E266 IonicContact NZ-OE2 3.15Å; T258-E266 CarbonylContact O-C 3.59Å; T258-E266 WeakPolarHBondContact O-CA 3.45Å; E266-T430 HydrophobicContact CB-CG2 4.43Å
267	Q	92.4	Very high	90.8	Very high	59 Å²	59	72.2 Å²	72.2	28%	0.276	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	137.6	177.1	-175.1	172.4	8.7	0	0	109.1	K257 T258 N260 T430	K257-Q267 CarbonylContact C-O 3.55Å; K257-Q267 WeakPolarHBondContact CA-O 3.11Å; T258-Q267 PolarHBondContact N-O 2.95Å; T258-Q267 PolarHBondContact O-N 3.48Å; N260-Q267 PolarHBondContact ND2-OE1 2.86Å; Q267-T430 WeakPolarHBondContact CA-O 3.28Å
268	L	95.3	Very high	90.7	Very high	8 Å²	8	72.4 Å²	72.4	4%	0.042	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.4	175.1	-72.9	171.9	0	0	0	111.1	L255 L256 K257 V289 T430 L432	L255-L268 HydrophobicContact CB-CD2 3.63Å; L255-L268 HydrophobicContact CD1-CD1 4.33Å; L255-L268 HydrophobicContact CD1-CD2 3.95Å; L255-L268 HydrophobicContact CG-CD2 4.25Å; L256-L268 WeakPolarHBondContact O-CA 3.34Å; K257-L268 HydrophobicContact CG-CD2 3.76Å; L268-V289 HydrophobicContact CB-CG2 4.45Å; L268-T430 PolarHBondContact N-O 3.33Å; L268-L432 HydrophobicContact CD1-CB 3.51Å; L268-L432 HydrophobicContact CD1-CD1 3.96Å; L268-L432 HydrophobicContact CD1-CG 4.29Å
269	C	96.2	Very high	90.9	Very high	18 Å²	18	71.2 Å²	71.2	12%	0.122	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	14.3	179.5	64.3	0	0	0	0	113.7	L256 T258 R285 A286	L256-C269 PolarHBondContact O-N 3.15Å; T258-C269 HydrophobicContact CG2-CB 3.99Å; C269-R285 WeakPolarHBondContact O-CA 3.3Å; C269-A286 CarbonylContact C-O 3.56Å; C269-A286 VanDerWaalsContact CA-O 3.32Å; C269-A286 WeakPolarHBondContact CA-O 3.48Å; C269-A286 PolarHBondContact O-N 3.5Å
270	G	97.7	Very high	91.2	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147	-161.4	177.8	0	0	0	0	0	113.2	L256 V284	L256-G270 PolarHBondContact N-O 3.05Å; G270-V284 CarbonylContact C-O 3.49Å; G270-V284 WeakPolarHBondContact CA-O 3.47Å
271	A	98.4	Very high	92	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	148	175.5	0	0	0	0	0	111	L76 V252 L255 V284	L76-A271 HydrophobicContact CD2-CB 3.66Å; V252-A271 HydrophobicContact CB-CB 4.5Å; V252-A271 HydrophobicContact CG1-CB 3.81Å; V252-A271 HydrophobicContact CG2-CB 3.95Å; L255-A271 HydrophobicContact CD2-CB 4.28Å; A271-V284 PolarHBondContact N-O 2.71Å; A271-V284 PolarHBondContact O-N 3.11Å
272	H	98.5	Very high	92.9	Very high	26 Å²	26	65.4 Å²	65.4	12%	0.12	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	123.7	166.9	-174.6	75.4	0	0	0	109	V253 H254 L256 E281 D283	V253-H272 PolarHBondContact N-O 3.06Å; H254-H272 WeakPolarHBondContact CE1-CB 3.44Å; H254-H272 AromaticContact CE1-CD2 3.25Å; H254-H272 PolarHBondContact CE1-CD2 3.34Å; H254-H272 AromaticContact CE1-CG 3.27Å; H254-H272 AromaticContact ND1-CD2 3.63Å; H254-H272 AromaticContact ND1-CG 3.87Å; H254-H272 VanDerWaalsContact NE2-CB 3.33Å; H254-H272 WeakPolarHBondContact NE2-CB 3.45Å; H254-H272 AromaticContact NE2-CG 3.7Å; H254-H272 PolarHBondContact O-N 2.75Å; L256-H272 HydrophobicContact CD2-CB 4.16Å; H272-E281 IonicContact NE2-OE2 3.87Å; H272-E281 PolarHBondContact NE2-OE2 2.92Å; H272-D283 IonicContact CE1-OD1 3.26Å; H272-D283 IonicContact CG-OD1 3.11Å; H272-D283 IonicContact ND1-OD1 2.71Å; H272-D283 PolarHBondContact ND1-OD1 3.02Å
273	C	98.5	Very high	94	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.9	-169.3	-67.1	0	0	0	0	111.4	T250 E251 E281 F282 V284	T250-C273 HydrophobicContact CG2-CB 3.93Å; E251-C273 CarbonylContact O-C 3.6Å; E251-C273 WeakPolarHBondContact O-CA 3.43Å; C273-E281 CarbonylContact O-C 3.53Å; C273-E281 VanDerWaalsContact O-CA 3.26Å; C273-E281 WeakPolarHBondContact O-CA 3.34Å; C273-F282 HydrophobicContact CB-CD2 4.41Å; C273-F282 HydrophobicContact CB-CE1 4.48Å; C273-F282 HydrophobicContact CB-CE2 4.07Å; C273-F282 HydrophobicContact CB-CZ 4.11Å; C273-F282 PolarHBondContact N-O 3.19Å; C273-F282 PolarHBondContact O-N 2.97Å; C273-V284 HydrophobicContact CB-CG2 4.39Å
274	R	98.4	Very high	95	Very high	88 Å²	88	54.7 Å²	54.7	33%	0.332	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.5	174.2	179.4	170.9	53.7	-160.4	-1.2	110.6	T250 E251 V253 I276 K280 E281	T250-R274 WeakPolarHBondContact CA-O 3.26Å; E251-R274 PolarHBondContact N-O 3.47Å; E251-R274 PolarHBondContact O-N 3.01Å; E251-R274 IonicContact OE2-CZ 2.77Å; E251-R274 IonicContact OE2-NE 3.53Å; E251-R274 IonicContact OE2-NH2 2.71Å; E251-R274 PolarHBondContact OE2-NH2 3.39Å; V253-R274 HydrophobicContact CG2-CB 3.68Å; R274-I276 PolarHBondContact O-N 2.78Å; R274-K280 WeakPolarHBondContact CA-O 3.19Å; R274-E281 HydrophobicContact CB-CG 3.98Å; R274-E281 HydrophobicContact CG-CG 3.96Å; R274-E281 IonicContact NH1-OE1 3.27Å
275	A	97.5	Very high	95.8	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.033	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	100.9	171.3	0	0	0	0	0	109.8	Y249 L277 S278 G279 K280 F282	Y249-A275 CarbonylContact O-C 3.58Å; Y249-A275 WeakPolarHBondContact O-CA 3.5Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 2.98Å; A275-S278 WeakPolarHBondContact CB-OG 3.4Å; A275-S278 PolarHBondContact O-N 2.95Å; A275-S278 PolarHBondContact O-OG 3.3Å; A275-G279 PolarHBondContact O-N 3.2Å; A275-K280 PolarHBondContact N-O 3.19Å; A275-F282 HydrophobicContact CB-CE1 4.18Å
276	I	96.5	Very high	96.5	Very high	74 Å²	74	48.5 Å²	48.5	38%	0.379	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-42.5	-169.3	-61	-170.3	0	0	0	112.4	R103 Y249 E251 R274 S278	R103-I276 HydrophobicContact CG-CD1 3.81Å; R103-I276 WeakPolarHBondContact O-CD1 3.32Å; Y249-I276 PolarHBondContact O-N 2.82Å; E251-I276 HydrophobicContact CB-CD1 4.23Å; E251-I276 HydrophobicContact CB-CG1 4.23Å; R274-I276 PolarHBondContact O-N 2.78Å; I276-S278 VanDerWaalsContact C-N 3.26Å; I276-S278 PolarHBondContact O-N 2.99Å
277	L	93.3	Very high	96.8	Very high	82 Å²	82	47.1 Å²	47.1	43%	0.429	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-27.6	-176.5	-56.8	176.6	0	0	0	113.4	Y249 A275 C549	Y249-L277 HydrophobicContact CD1-CD2 4.09Å; Y249-L277 HydrophobicContact CD1-CG 4.48Å; Y249-L277 HydrophobicContact CD2-CD1 4.35Å; Y249-L277 HydrophobicContact CG-CD1 4.25Å; Y249-L277 HydrophobicContact CG-CD2 4.15Å; Y249-L277 HydrophobicContact CG-CG 4.1Å; A275-L277 VanDerWaalsContact C-N 3.29Å; A275-L277 PolarHBondContact O-N 2.98Å; L277-C549 HydrophobicContact CD1-CB 3.58Å
278	S	92.8	Very high	97	Very high	72 Å²	72	44.4 Å²	44.4	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-14.1	-175.6	69.7	0	0	0	0	113.9	A275 I276 K280	A275-S278 WeakPolarHBondContact CB-OG 3.4Å; A275-S278 PolarHBondContact O-N 2.95Å; A275-S278 PolarHBondContact O-OG 3.3Å; I276-S278 VanDerWaalsContact C-N 3.26Å; I276-S278 PolarHBondContact O-N 2.99Å; S278-K280 PolarHBondContact O-N 3.38Å; S278-K280 WeakPolarHBondContact OG-CB 3.46Å; S278-K280 PolarHBondContact OG-N 2.87Å
279	G	95.2	Very high	97.1	Very high	48 Å²	48	44.1 Å²	44.1	50%	0.495	22%	0.224	S	C	.	.			trans	70.5	-5.1	-170.5	0	0	0	0	0	115	A275	A275-G279 PolarHBondContact O-N 3.2Å
280	K	96.3	Very high	97.2	Very high	147 Å²	147	43.2 Å²	43.2	64%	0.639	22%	0.218	S	C	*	.			trans	-66.9	136.2	-179.2	-66.5	-176.3	179.8	-177.7	0	111.4	R274 A275 S278	R274-K280 WeakPolarHBondContact CA-O 3.19Å; A275-K280 PolarHBondContact N-O 3.19Å; S278-K280 PolarHBondContact O-N 3.38Å; S278-K280 WeakPolarHBondContact OG-CB 3.46Å; S278-K280 PolarHBondContact OG-N 2.87Å
281	E	97.9	Very high	97.3	Very high	105 Å²	105	43.2 Å²	43.2	49%	0.491	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.8	178.1	-65.6	-174.3	166.5	0	0	110.6	H272 C273 R274	H272-E281 IonicContact NE2-OE2 3.87Å; H272-E281 PolarHBondContact NE2-OE2 2.92Å; C273-E281 CarbonylContact O-C 3.53Å; C273-E281 VanDerWaalsContact O-CA 3.26Å; C273-E281 WeakPolarHBondContact O-CA 3.34Å; R274-E281 HydrophobicContact CB-CG 3.98Å; R274-E281 HydrophobicContact CG-CG 3.96Å; R274-E281 IonicContact NH1-OE1 3.27Å
282	F	98.1	Very high	97.3	Very high	23 Å²	23	43.5 Å²	43.5	10%	0.101	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	156.9	-179.1	59.1	-85.4	0	0	0	111.4	L64 L67 Q68 T250 C273 A275 V284	L64-F282 HydrophobicContact CD2-CZ 4.28Å; L67-F282 HydrophobicContact CB-CE2 4.08Å; Q68-F282 HydrophobicContact CG-CB 4.02Å; Q68-F282 HydrophobicContact CG-CD1 4.19Å; Q68-F282 HydrophobicContact CG-CD2 3.54Å; Q68-F282 HydrophobicContact CG-CE2 3.98Å; Q68-F282 HydrophobicContact CG-CG 3.65Å; Q68-F282 HydrophobicContact CG-CZ 4.48Å; T250-F282 HydrophobicContact CG2-CE1 4.47Å; T250-F282 HydrophobicContact CG2-CZ 3.87Å; C273-F282 HydrophobicContact CB-CD2 4.41Å; C273-F282 HydrophobicContact CB-CE1 4.48Å; C273-F282 HydrophobicContact CB-CE2 4.07Å; C273-F282 HydrophobicContact CB-CZ 4.11Å; C273-F282 PolarHBondContact N-O 3.19Å; C273-F282 PolarHBondContact O-N 2.97Å; A275-F282 HydrophobicContact CB-CE1 4.18Å; F282-V284 HydrophobicContact CD2-CG2 3.84Å; F282-V284 HydrophobicContact CE2-CG2 3.52Å
283	D	98.4	Very high	97.2	Very high	61 Å²	61	43.7 Å²	43.7	33%	0.326	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	136.6	175.9	-76.7	3.7	0	0	0	110.6	L256 H272 R285	L256-D283 HydrophobicContact CD1-CB 3.84Å; H272-D283 IonicContact CE1-OD1 3.26Å; H272-D283 IonicContact CG-OD1 3.11Å; H272-D283 IonicContact ND1-OD1 2.71Å; H272-D283 PolarHBondContact ND1-OD1 3.02Å; D283-R285 IonicContact OD2-CZ 3.99Å; D283-R285 IonicContact OD2-NE 3.92Å; D283-R285 IonicContact OD2-NH2 3.07Å; D283-R285 PolarHBondContact OD2-NH2 3.36Å
284	V	98.6	Very high	97.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.9	166.3	-177.6	0	0	0	0	108.2	L67 F73 L76 A99 G270 A271 C273 F282	L67-V284 HydrophobicContact CB-CG2 4.43Å; L67-V284 HydrophobicContact CD2-CG1 4.45Å; F73-V284 HydrophobicContact CD2-CG1 3.78Å; F73-V284 HydrophobicContact CE2-CG1 3.89Å; L76-V284 HydrophobicContact CD1-CG1 4.02Å; L76-V284 HydrophobicContact CD2-CB 4.32Å; L76-V284 HydrophobicContact CD2-CG1 4.17Å; A99-V284 HydrophobicContact CB-CG1 4.16Å; G270-V284 CarbonylContact C-O 3.49Å; G270-V284 WeakPolarHBondContact CA-O 3.47Å; A271-V284 PolarHBondContact N-O 2.71Å; A271-V284 PolarHBondContact O-N 3.11Å; C273-V284 HydrophobicContact CB-CG2 4.39Å; F282-V284 HydrophobicContact CD2-CG2 3.84Å; F282-V284 HydrophobicContact CE2-CG2 3.52Å
285	R	98.4	Very high	97	Very high	101 Å²	101	41 Å²	41	38%	0.381	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	135	-179.8	-62.7	-65.1	175.5	152.8	-7.2	110.9	P71 F73 C269 D283	P71-R285 WeakPolarHBondContact O-CB 3.43Å; F73-R285 WeakPolarHBondContact CD2-O 3.22Å; F73-R285 PolarHBondContact N-O 2.82Å; C269-R285 WeakPolarHBondContact O-CA 3.3Å; D283-R285 IonicContact OD2-CZ 3.99Å; D283-R285 IonicContact OD2-NE 3.92Å; D283-R285 IonicContact OD2-NH2 3.07Å; D283-R285 PolarHBondContact OD2-NH2 3.36Å
286	A	98	Very high	96.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	148	178.2	0	0	0	0	0	112.7	F73 L76 C269 C288	F73-A286 HydrophobicContact CB-CB 4.06Å; F73-A286 CarbonylContact O-C 3.47Å; F73-A286 WeakPolarHBondContact O-CA 3.25Å; L76-A286 HydrophobicContact CB-CB 3.54Å; C269-A286 CarbonylContact C-O 3.56Å; C269-A286 VanDerWaalsContact CA-O 3.32Å; C269-A286 WeakPolarHBondContact CA-O 3.48Å; C269-A286 PolarHBondContact O-N 3.5Å; A286-C288 VanDerWaalsContact C-N 3.33Å; A286-C288 WeakPolarHBondContact CB-O 3.31Å
287	K	96.4	Very high	96.9	Very high	74 Å²	74	39.9 Å²	39.9	32%	0.322	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-33.6	173.8	-60.7	175.5	-174.4	162.7	0	112.4	E72 F73 D74 L458 L460	E72-K287 HydrophobicContact CG-CG 4.29Å; E72-K287 WeakPolarHBondContact OE2-CE 3.31Å; F73-K287 PolarHBondContact O-N 2.92Å; D74-K287 WeakPolarHBondContact OD1-CE 3.38Å; D74-K287 IonicContact OD1-NZ 2.74Å; D74-K287 PolarHBondContact OD1-NZ 2.96Å; K287-L458 VanDerWaalsContact O-CD1 3.31Å; K287-L458 WeakPolarHBondContact O-CD1 3.36Å; K287-L460 HydrophobicContact CB-CD2 4.42Å; K287-L460 HydrophobicContact CD-CD2 4.04Å
288	C	96.1	Very high	97	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.2	-179.8	-168.8	0	0	0	0	110.4	D74 V75 L76 A286 I433 L458	D74-C288 WeakPolarHBondContact O-CB 3.42Å; D74-C288 PolarHBondContact O-N 2.8Å; V75-C288 HydrophobicContact CG1-CB 4.48Å; V75-C288 HydrophobicContact CG2-CB 4.3Å; L76-C288 PolarHBondContact N-O 3.38Å; A286-C288 VanDerWaalsContact C-N 3.33Å; A286-C288 WeakPolarHBondContact CB-O 3.31Å; C288-I433 WeakPolarHBondContact SG-CD1 3.08Å; C288-L458 HydrophobicContact CB-CD1 3.36Å
289	V	98.5	Very high	97.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.2	169.5	-175.2	0	0	0	0	108.8	L76 V78 L255 L268 L432 I433	L76-V289 HydrophobicContact CD2-CG2 4.47Å; L76-V289 CarbonylContact O-C 3.1Å; L76-V289 WeakPolarHBondContact O-CA 3.21Å; V78-V289 HydrophobicContact CG2-CG1 4.13Å; L255-V289 HydrophobicContact CD2-CG1 4.13Å; L268-V289 HydrophobicContact CB-CG2 4.45Å; V289-L432 HydrophobicContact CB-CD1 4.15Å; V289-L432 HydrophobicContact CG1-CD1 3.91Å; V289-I433 PolarHBondContact O-N 2.83Å
290	I	98.7	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	121	178.5	-60	178.7	0	0	0	109.4	V75 L76 I77 V78 I433 I435 T450 I451 A454	V75-I290 HydrophobicContact CG1-CD1 3.37Å; V75-I290 HydrophobicContact CG1-CG1 3.83Å; L76-I290 PolarHBondContact O-N 3.48Å; I77-I290 HydrophobicContact CG1-CB 4.3Å; I77-I290 HydrophobicContact CG1-CD1 4.3Å; V78-I290 PolarHBondContact N-O 3.22Å; I290-I433 CarbonylContact C-O 3.59Å; I290-I433 VanDerWaalsContact CA-O 3.31Å; I290-I433 WeakPolarHBondContact CA-O 3.48Å; I290-I433 HydrophobicContact CG1-CB 4.26Å; I290-I435 HydrophobicContact CG2-CG2 4.25Å; I290-T450 HydrophobicContact CD1-CG2 4.15Å; I290-T450 HydrophobicContact CG2-CG2 3.72Å; I290-I451 HydrophobicContact CD1-CD1 3.56Å; I290-A454 HydrophobicContact CD1-CB 4.44Å
291	N	98.6	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.1	170.3	-178	11.9	0	0	0	110.3	T293 T297 L300 L432 I433 T434 I435	N291-T293 WeakPolarHBondContact OD1-CB 3.38Å; N291-T293 WeakPolarHBondContact OD1-CG2 3.47Å; N291-T293 PolarHBondContact OD1-N 2.83Å; N291-T293 PolarHBondContact OD1-OG1 3.37Å; N291-T297 PolarHBondContact ND2-O 2.79Å; N291-L300 HydrophobicContact CB-CD2 3.72Å; N291-L432 HydrophobicContact CB-CD1 4.29Å; N291-L432 HydrophobicContact CB-CG 4.48Å; N291-I433 PolarHBondContact N-O 3.06Å; N291-T434 HydrophobicContact CB-CG2 4.3Å; N291-T434 PolarHBondContact ND2-OG1 2.72Å; N291-I435 WeakPolarHBondContact O-CG2 3.49Å; N291-I435 PolarHBondContact O-N 3.36Å
292	A	98.2	Very high	97	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	14%	0.135	C	C	.	.			trans	-124.7	36.7	175.7	0	0	0	0	0	111.3	I77 V78 T83 G294 I435	I77-A292 HydrophobicContact CG2-CB 4.16Å; V78-A292 CarbonylContact O-C 3.6Å; V78-A292 VanDerWaalsContact O-C 3.3Å; V78-A292 WeakPolarHBondContact O-CA 3.31Å; V78-A292 PolarHBondContact O-N 3.33Å; T83-A292 HydrophobicContact CG2-CB 4.13Å; A292-G294 VanDerWaalsContact C-N 3.25Å; A292-G294 PolarHBondContact O-N 3.17Å; A292-I435 HydrophobicContact CB-CG2 3.84Å
293	T	97.6	Very high	96.9	Very high	30 Å²	30	28.4 Å²	28.4	18%	0.184	15%	0.146	C	C	.	.			trans	-84.4	13.5	-170.1	58.7	0	0	0	0	114.6	V78 N291 F296 T297 L300	V78-T293 HydrophobicContact CB-CG2 4.29Å; V78-T293 HydrophobicContact CG1-CG2 3.79Å; V78-T293 WeakPolarHBondContact O-CG2 3.41Å; V78-T293 PolarHBondContact O-N 3.09Å; N291-T293 WeakPolarHBondContact OD1-CB 3.38Å; N291-T293 WeakPolarHBondContact OD1-CG2 3.47Å; N291-T293 PolarHBondContact OD1-N 2.83Å; N291-T293 PolarHBondContact OD1-OG1 3.37Å; T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 3.43Å; T293-F296 PolarHBondContact OG1-O 3.43Å; T293-T297 WeakPolarHBondContact OG1-CA 3.45Å; T293-T297 PolarHBondContact OG1-N 3.39Å; T293-T297 VanDerWaalsContact OG1-N 3.14Å; T293-L300 HydrophobicContact CG2-CD2 4.34Å
294	G	95.8	Very high	96.7	Very high	22 Å²	22	26 Å²	26	23%	0.227	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	58.2	-125.5	174.1	0	0	0	0	0	111.9	A292 F296 T297	A292-G294 VanDerWaalsContact C-N 3.25Å; A292-G294 PolarHBondContact O-N 3.17Å; G294-F296 PolarHBondContact O-N 3.37Å; G294-F296 VanDerWaalsContact O-N 3.1Å; G294-T297 VanDerWaalsContact O-CB 3.3Å; G294-T297 WeakPolarHBondContact O-CB 3.18Å; G294-T297 PolarHBondContact O-N 2.91Å; G294-T297 PolarHBondContact O-OG1 3.05Å
295	P	95.6	Very high	96.5	Very high	10 Å²	10	31 Å²	31	7%	0.065	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58	-22.4	176.7	-24.7	34.4	0	0	0	114.4	T110 T297 V364 I404 P406	T110-P295 WeakPolarHBondContact OG1-CD 3.1Å; T110-P295 VanDerWaalsContact OG1-CG 3.28Å; T110-P295 WeakPolarHBondContact OG1-CG 3.32Å; P295-T297 VanDerWaalsContact C-N 3.27Å; P295-T297 PolarHBondContact O-N 2.97Å; P295-V364 HydrophobicContact CB-CG1 3.99Å; P295-V364 HydrophobicContact CB-CG2 4.41Å; P295-V364 WeakPolarHBondContact O-CG2 3.38Å; P295-I404 HydrophobicContact CB-CB 4.33Å; P295-I404 HydrophobicContact CB-CG2 3.87Å; P295-I404 HydrophobicContact CG-CB 4Å; P295-I404 HydrophobicContact CG-CG2 3.93Å; P295-I404 WeakPolarHBondContact CG-O 3.27Å; P295-P406 HydrophobicContact CG-CB 4.1Å
296	F	96.7	Very high	96	Very high	53 Å²	53	33.5 Å²	33.5	23%	0.232	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-87.6	9.3	178.7	-62.8	-87.6	0	0	0	113.5	T293 G294 D298 S299 V364 A366	T293-F296 WeakPolarHBondContact O-CB 3.48Å; T293-F296 PolarHBondContact O-N 3.43Å; T293-F296 PolarHBondContact OG1-O 3.43Å; G294-F296 PolarHBondContact O-N 3.37Å; G294-F296 VanDerWaalsContact O-N 3.1Å; F296-D298 PolarHBondContact O-N 3.07Å; F296-D298 VanDerWaalsContact O-N 3.11Å; F296-S299 WeakPolarHBondContact O-CB 3.38Å; F296-S299 PolarHBondContact O-N 3.47Å; F296-V364 HydrophobicContact CD1-CG1 3.61Å; F296-V364 HydrophobicContact CD2-CG1 4.24Å; F296-V364 HydrophobicContact CE1-CG1 3.5Å; F296-V364 VanDerWaalsContact CE1-CG1 3.5Å; F296-V364 HydrophobicContact CE2-CG1 4.13Å; F296-V364 HydrophobicContact CG-CG1 3.99Å; F296-V364 HydrophobicContact CZ-CG1 3.77Å; F296-A366 HydrophobicContact CZ-CB 4.15Å
297	T	95.6	Very high	95.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-45.9	-47	-178.7	-76.3	0	0	0	0	112.4	N291 T293 G294 P295 S299 L300 R301 I311 T434 A436	N291-T297 PolarHBondContact ND2-O 2.79Å; T293-T297 WeakPolarHBondContact OG1-CA 3.45Å; T293-T297 PolarHBondContact OG1-N 3.39Å; T293-T297 VanDerWaalsContact OG1-N 3.14Å; G294-T297 VanDerWaalsContact O-CB 3.3Å; G294-T297 WeakPolarHBondContact O-CB 3.18Å; G294-T297 PolarHBondContact O-N 2.91Å; G294-T297 PolarHBondContact O-OG1 3.05Å; P295-T297 VanDerWaalsContact C-N 3.27Å; P295-T297 PolarHBondContact O-N 2.97Å; T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 2.76Å; T297-L300 PolarHBondContact O-N 3.36Å; T297-R301 HydrophobicContact CG2-CG 4.35Å; T297-R301 WeakPolarHBondContact O-CG 3.31Å; T297-R301 PolarHBondContact O-N 3.09Å; T297-I311 HydrophobicContact CG2-CD1 4.19Å; T297-I311 HydrophobicContact CG2-CG1 4.37Å; T297-T434 HydrophobicContact CG2-CG2 3.55Å; T297-A436 HydrophobicContact CG2-CB 3.83Å
298	D	95.7	Very high	95.3	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	20%	0.204	C	C	.	.	H	α-helix	trans	-69.3	-27.6	-176.2	-71.7	-40.8	0	0	0	113.2	F296 L300 R301 Q302 K310 I311 C312	F296-D298 PolarHBondContact O-N 3.07Å; F296-D298 VanDerWaalsContact O-N 3.11Å; D298-L300 PolarHBondContact O-N 3.13Å; D298-R301 PolarHBondContact O-N 2.97Å; D298-R301 IonicContact OD1-CZ 2.99Å; D298-R301 IonicContact OD1-NH1 3.2Å; D298-R301 PolarHBondContact OD1-NH1 2.63Å; D298-Q302 WeakPolarHBondContact O-CB 3.39Å; D298-Q302 VanDerWaalsContact O-CG 3.27Å; D298-Q302 WeakPolarHBondContact O-CG 3.4Å; D298-Q302 PolarHBondContact O-N 3.49Å; D298-K310 HydrophobicContact CB-CB 4.49Å; D298-K310 HydrophobicContact CB-CG 4.16Å; D298-K310 WeakPolarHBondContact OD1-CA 3.39Å; D298-K310 WeakPolarHBondContact OD2-CA 3.37Å; D298-K310 WeakPolarHBondContact OD2-CB 3.39Å; D298-I311 PolarHBondContact OD1-N 3.29Å; D298-I311 PolarHBondContact OD2-N 3.1Å; D298-I311 VanDerWaalsContact OD2-N 3.08Å; D298-C312 VanDerWaalsContact OD2-CB 3.24Å; D298-C312 WeakPolarHBondContact OD2-CB 3.45Å; D298-C312 PolarHBondContact OD2-N 3.06Å
299	S	95	Very high	94.9	Very high	70 Å²	70	43.2 Å²	43.2	49%	0.49	23%	0.233	S	C	.	.	H	α-helix	trans	-61.7	-43.6	177	-58	0	0	0	0	111.5	F296 T297 M303	F296-S299 WeakPolarHBondContact O-CB 3.38Å; F296-S299 PolarHBondContact O-N 3.47Å; T297-S299 VanDerWaalsContact C-N 3.31Å; T297-S299 PolarHBondContact O-N 2.76Å; S299-M303 WeakPolarHBondContact O-CB 3.14Å; S299-M303 PolarHBondContact O-N 2.81Å
300	L	95.6	Very high	94.6	Very high	9 Å²	9	50 Å²	50	5%	0.047	26%	0.262	C	S	.	.	H	α-helix	trans	-76.9	-32.2	178.8	-158.3	72.7	0	0	0	112.2	V78 V252 L255 N291 T293 T297 D298 M303 D304	V78-L300 HydrophobicContact CB-CD2 3.73Å; V78-L300 HydrophobicContact CG1-CD1 4.4Å; V78-L300 HydrophobicContact CG1-CD2 3.85Å; V78-L300 HydrophobicContact CG2-CD2 3.96Å; V252-L300 HydrophobicContact CB-CD1 4.49Å; V252-L300 HydrophobicContact CG1-CD1 3.95Å; L255-L300 HydrophobicContact CD2-CD1 4.33Å; N291-L300 HydrophobicContact CB-CD2 3.72Å; T293-L300 HydrophobicContact CG2-CD2 4.34Å; T297-L300 PolarHBondContact O-N 3.36Å; D298-L300 PolarHBondContact O-N 3.13Å; L300-M303 HydrophobicContact CD1-CE 4.19Å; L300-M303 HydrophobicContact CD1-SD 3.74Å; L300-M303 WeakPolarHBondContact O-CB 3.35Å; L300-M303 PolarHBondContact O-N 2.96Å; L300-D304 PolarHBondContact O-N 3.36Å; L300-D304 VanDerWaalsContact O-N 3.13Å
301	R	96.2	Very high	94.2	Very high	27 Å²	27	50.2 Å²	50.2	10%	0.102	26%	0.264	C	S	.	.	H	α-helix	trans	-63.6	-41.6	172.5	-67.6	172.2	77.2	-132	-0.1	111.7	T297 D298 M303 D304 K305 T308 A309 L432 T434	T297-R301 HydrophobicContact CG2-CG 4.35Å; T297-R301 WeakPolarHBondContact O-CG 3.31Å; T297-R301 PolarHBondContact O-N 3.09Å; D298-R301 PolarHBondContact O-N 2.97Å; D298-R301 IonicContact OD1-CZ 2.99Å; D298-R301 IonicContact OD1-NH1 3.2Å; D298-R301 PolarHBondContact OD1-NH1 2.63Å; R301-M303 VanDerWaalsContact C-N 3.34Å; R301-D304 WeakPolarHBondContact O-CB 3.33Å; R301-D304 PolarHBondContact O-N 3.06Å; R301-K305 PolarHBondContact O-N 3.36Å; R301-T308 HydrophobicContact CB-CG2 4.23Å; R301-T308 VanDerWaalsContact CZ-CG2 3.49Å; R301-T308 VanDerWaalsContact NH2-CG2 3.31Å; R301-A309 PolarHBondContact NH1-O 3.24Å; R301-L432 HydrophobicContact CG-CD2 4.46Å; R301-T434 HydrophobicContact CG-CG2 4.36Å
302	Q	95.8	Very high	93.9	Very high	49 Å²	49	50.7 Å²	50.7	23%	0.229	27%	0.267	C	S	.	.	H	α-helix	trans	-72.8	-29.1	177.8	-70.8	-179.3	-26.3	0	0	112.3	D298 D304 K305 Q306 T308	D298-Q302 WeakPolarHBondContact O-CB 3.39Å; D298-Q302 VanDerWaalsContact O-CG 3.27Å; D298-Q302 WeakPolarHBondContact O-CG 3.4Å; D298-Q302 PolarHBondContact O-N 3.49Å; Q302-D304 VanDerWaalsContact C-N 3.28Å; Q302-D304 PolarHBondContact O-N 3.3Å; Q302-K305 WeakPolarHBondContact CA-O 3.12Å; Q302-K305 CarbonylContact O-C 3.58Å; Q302-K305 PolarHBondContact O-N 2.95Å; Q302-Q306 WeakPolarHBondContact O-CA 3.42Å; Q302-Q306 PolarHBondContact O-N 3.4Å; Q302-Q306 VanDerWaalsContact O-N 3.14Å; Q302-T308 PolarHBondContact NE2-O 3.35Å
303	M	95.3	Very high	93.5	Very high	68 Å²	68	55.2 Å²	55.2	34%	0.335	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-32	169.3	-171.5	-173.8	-70.2	0	0	112.5	V252 V253 H254 L255 S299 L300 R301	V252-M303 HydrophobicContact CG1-SD 3.96Å; V253-M303 VanDerWaalsContact O-CE 3.31Å; V253-M303 WeakPolarHBondContact O-CE 3.41Å; H254-M303 WeakPolarHBondContact CA-SD 3.38Å; L255-M303 HydrophobicContact CD1-CG 4.49Å; L255-M303 HydrophobicContact CG-CG 4.16Å; L255-M303 HydrophobicContact CG-SD 3.94Å; S299-M303 WeakPolarHBondContact O-CB 3.14Å; S299-M303 PolarHBondContact O-N 2.81Å; L300-M303 HydrophobicContact CD1-CE 4.19Å; L300-M303 HydrophobicContact CD1-SD 3.74Å; L300-M303 WeakPolarHBondContact O-CB 3.35Å; L300-M303 PolarHBondContact O-N 2.96Å; R301-M303 VanDerWaalsContact C-N 3.34Å
304	D	94.8	Very high	93.3	Very high	12 Å²	12	54.9 Å²	54.9	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-72.4	-52.1	168.8	178.9	33.4	0	0	0	110.9	L255 K257 L300 R301 Q302 S428 T430 L432	L255-D304 HydrophobicContact CD1-CB 3.71Å; K257-D304 WeakPolarHBondContact CE-OD1 3.28Å; K257-D304 PolarHBondContact NZ-O 3.45Å; K257-D304 IonicContact NZ-OD1 3.37Å; K257-D304 PolarHBondContact NZ-OD1 3.06Å; L300-D304 PolarHBondContact O-N 3.36Å; L300-D304 VanDerWaalsContact O-N 3.13Å; R301-D304 WeakPolarHBondContact O-CB 3.33Å; R301-D304 PolarHBondContact O-N 3.06Å; Q302-D304 VanDerWaalsContact C-N 3.28Å; Q302-D304 PolarHBondContact O-N 3.3Å; D304-S428 WeakPolarHBondContact OD2-CB 3.01Å; D304-S428 PolarHBondContact OD2-OG 3Å; D304-T430 WeakPolarHBondContact OD1-CG2 3.44Å; D304-T430 PolarHBondContact OD1-OG1 2.9Å; D304-T430 PolarHBondContact OD2-OG1 3.01Å; D304-L432 HydrophobicContact CB-CD2 3.92Å
305	K	92.8	Very high	93.2	Very high	104 Å²	104	54.2 Å²	54.2	45%	0.452	28%	0.278	S	S	.	.			trans	-143.5	113.9	178.3	-172.1	176.5	-176.7	179.6	0	111.2	R301 Q302 E307 T308	R301-K305 PolarHBondContact O-N 3.36Å; Q302-K305 WeakPolarHBondContact CA-O 3.12Å; Q302-K305 CarbonylContact O-C 3.58Å; Q302-K305 PolarHBondContact O-N 2.95Å; K305-E307 PolarHBondContact O-N 3.24Å; K305-E307 VanDerWaalsContact O-N 3.1Å; K305-T308 VanDerWaalsContact O-CB 3.3Å; K305-T308 WeakPolarHBondContact O-CB 3.33Å; K305-T308 PolarHBondContact O-N 3.46Å; K305-T308 PolarHBondContact O-OG1 2.86Å; K305-T308 VanDerWaalsContact O-OG1 3.08Å
306	Q	89.3	Confident	93	Very high	153 Å²	153	54.2 Å²	54.2	72%	0.715	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-35.1	-172.5	-166.8	69.4	18.8	0	0	113.8	Q302 T308	Q302-Q306 WeakPolarHBondContact O-CA 3.42Å; Q302-Q306 PolarHBondContact O-N 3.4Å; Q302-Q306 VanDerWaalsContact O-N 3.14Å; Q306-T308 VanDerWaalsContact C-N 3.26Å; Q306-T308 PolarHBondContact O-N 2.95Å
307	E	89.3	Confident	92.9	Very high	172 Å²	172	51.8 Å²	51.8	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	0.9	-176.9	-62.1	178.2	168.6	0	0	114	K305 A309	K305-E307 PolarHBondContact O-N 3.24Å; K305-E307 VanDerWaalsContact O-N 3.1Å; E307-A309 PolarHBondContact O-N 2.91Å
308	T	89.5	Confident	92.9	Very high	34 Å²	34	51.7 Å²	51.7	21%	0.209	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-66.4	126.2	-179	-65.5	0	0	0	0	111.5	R301 Q302 K305 Q306	R301-T308 HydrophobicContact CB-CG2 4.23Å; R301-T308 VanDerWaalsContact CZ-CG2 3.49Å; R301-T308 VanDerWaalsContact NH2-CG2 3.31Å; Q302-T308 PolarHBondContact NE2-O 3.35Å; K305-T308 VanDerWaalsContact O-CB 3.3Å; K305-T308 WeakPolarHBondContact O-CB 3.33Å; K305-T308 PolarHBondContact O-N 3.46Å; K305-T308 PolarHBondContact O-OG1 2.86Å; K305-T308 VanDerWaalsContact O-OG1 3.08Å; Q306-T308 VanDerWaalsContact C-N 3.26Å; Q306-T308 PolarHBondContact O-N 2.95Å
309	A	88.6	Confident	93	Very high	75 Å²	75	51.2 Å²	51.2	62%	0.62	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-63.3	137.1	176.4	0	0	0	0	0	111.5	R301 E307	R301-A309 PolarHBondContact NH1-O 3.24Å; E307-A309 PolarHBondContact O-N 2.91Å
310	K	91.2	Very high	93.1	Very high	142 Å²	142	47.9 Å²	47.9	62%	0.617	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-66.9	136.3	177.5	-65.2	-174.5	179.7	-178.1	0	110.7	D298	D298-K310 HydrophobicContact CB-CB 4.49Å; D298-K310 HydrophobicContact CB-CG 4.16Å; D298-K310 WeakPolarHBondContact OD1-CA 3.39Å; D298-K310 WeakPolarHBondContact OD2-CA 3.37Å; D298-K310 WeakPolarHBondContact OD2-CB 3.39Å
311	I	91.4	Very high	93.1	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	24%	0.239	C	C	.	.			trans	-111.9	-19.1	175.8	64	178.3	0	0	0	112.3	T297 D298 V408 T409 P411 A436	T297-I311 HydrophobicContact CG2-CD1 4.19Å; T297-I311 HydrophobicContact CG2-CG1 4.37Å; D298-I311 PolarHBondContact OD1-N 3.29Å; D298-I311 PolarHBondContact OD2-N 3.1Å; D298-I311 VanDerWaalsContact OD2-N 3.08Å; I311-V408 CarbonylContact O-C 3.51Å; I311-V408 VanDerWaalsContact O-CA 3.28Å; I311-V408 WeakPolarHBondContact O-CA 3.37Å; I311-T409 PolarHBondContact O-N 3.36Å; I311-T409 PolarHBondContact O-OG1 2.86Å; I311-P411 HydrophobicContact CG2-CB 4.12Å; I311-P411 HydrophobicContact CG2-CG 4.29Å; I311-A436 HydrophobicContact CD1-CB 3.99Å
312	C	91.2	Very high	93	Very high	10 Å²	10	46.1 Å²	46.1	7%	0.068	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	126.5	-178.9	-170	0	0	0	0	110.5	D298 P314 L407	D298-C312 VanDerWaalsContact OD2-CB 3.24Å; D298-C312 WeakPolarHBondContact OD2-CB 3.45Å; D298-C312 PolarHBondContact OD2-N 3.06Å; C312-P314 VanDerWaalsContact C-CD 3.42Å; C312-P314 WeakPolarHBondContact O-CD 3.44Å; C312-L407 CarbonylContact C-O 3.24Å; C312-L407 WeakPolarHBondContact CA-O 3.24Å
313	Q	91.2	Very high	92.9	Very high	100 Å²	100	44.8 Å²	44.8	47%	0.467	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	79.8	171.5	-63.1	-64.3	-8.7	0	0	108.5	S315 L407 T409	Q313-S315 PolarHBondContact O-N 2.76Å; Q313-L407 HydrophobicContact CB-CB 4.34Å; Q313-L407 PolarHBondContact N-O 2.99Å; Q313-L407 VanDerWaalsContact O-CB 3.29Å; Q313-L407 WeakPolarHBondContact O-CB 3.41Å; Q313-T409 HydrophobicContact CG-CG2 4.02Å
314	P	92.9	Very high	92.6	Very high	24 Å²	24	42.2 Å²	42.2	16%	0.156	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	133.6	-178	25.1	-37.5	0	0	0	113.4	C312 T362 V364 I404	C312-P314 VanDerWaalsContact C-CD 3.42Å; C312-P314 WeakPolarHBondContact O-CD 3.44Å; P314-T362 HydrophobicContact CB-CG2 4.16Å; P314-T362 WeakPolarHBondContact CB-O 3.38Å; P314-T362 WeakPolarHBondContact CG-O 3.44Å; P314-T362 PolarHBondContact O-N 3.25Å; P314-V364 HydrophobicContact CB-CG2 3.89Å; P314-V364 HydrophobicContact CG-CG2 3.82Å; P314-I404 HydrophobicContact CB-CG2 3.61Å
315	S	92.6	Very high	92.2	Very high	8 Å²	8	47.8 Å²	47.8	6%	0.056	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.6	170.4	-171.9	0	0	0	0	111.2	Q313 D359 T360 I404 R405	Q313-S315 PolarHBondContact O-N 2.76Å; S315-D359 WeakPolarHBondContact CB-OD1 3.3Å; S315-D359 PolarHBondContact OG-OD1 3.08Å; S315-T360 CarbonylContact C-O 3.57Å; S315-T360 PolarHBondContact OG-N 3.23Å; S315-T360 PolarHBondContact OG-O 3.01Å; S315-I404 CarbonylContact O-C 3.42Å; S315-I404 WeakPolarHBondContact O-CA 3.48Å; S315-R405 PolarHBondContact N-O 2.92Å; S315-R405 PolarHBondContact O-N 3.45Å
316	A	93.1	Very high	92	Very high	9 Å²	9	43.1 Å²	43.1	7%	0.074	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	137.4	174.8	0	0	0	0	0	110.8	D359 T360 T362 G403 R405	A316-D359 WeakPolarHBondContact O-CA 3.28Å; A316-T360 PolarHBondContact N-O 3.35Å; A316-T360 PolarHBondContact O-N 3.23Å; A316-T362 HydrophobicContact CB-CG2 3.83Å; A316-G403 CarbonylContact C-O 3.5Å; A316-G403 WeakPolarHBondContact CA-O 3.28Å; A316-R405 PolarHBondContact O-NH1 2.86Å
317	G	93.8	Very high	91.9	Very high	2 Å²	2	36 Å²	36	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.9	168.7	0	0	0	0	0	111.1	T358 S402 G403 R405	G317-T358 VanDerWaalsContact CA-O 3.26Å; G317-T358 WeakPolarHBondContact CA-O 3.18Å; G317-S402 CarbonylContact O-C 3.43Å; G317-S402 WeakPolarHBondContact O-CA 3.45Å; G317-G403 PolarHBondContact N-O 3.32Å; G317-G403 PolarHBondContact O-N 3.15Å; G317-R405 VanDerWaalsContact CA-NH1 3.34Å
318	V	95.6	Very high	91.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	146.3	178.9	178.9	0	0	0	0	110.6	T357 T358 P370 D374 I375 I378 W401	V318-T357 PolarHBondContact N-OG1 3.34Å; V318-T357 VanDerWaalsContact O-CA 3.26Å; V318-T357 WeakPolarHBondContact O-CA 3.31Å; V318-T357 WeakPolarHBondContact O-CB 3.31Å; V318-T357 PolarHBondContact O-OG1 3.26Å; V318-T358 WeakPolarHBondContact CB-OG1 3.48Å; V318-T358 PolarHBondContact N-OG1 3.09Å; V318-T358 PolarHBondContact O-N 3.02Å; V318-P370 HydrophobicContact CG1-CB 3.85Å; V318-P370 HydrophobicContact CG2-CB 4.25Å; V318-D374 HydrophobicContact CB-CB 3.81Å; V318-D374 HydrophobicContact CG1-CB 4.08Å; V318-D374 HydrophobicContact CG2-CB 3.7Å; V318-I375 HydrophobicContact CG1-CG1 4.33Å; V318-I378 HydrophobicContact CG1-CD1 4.24Å; V318-W401 VanDerWaalsContact CA-O 3.29Å; V318-W401 WeakPolarHBondContact CA-O 3.06Å
319	H	97.3	Very high	90.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.5	169	-62.6	77.4	0	0	0	109.4	T115 I354 A355 T357 A400 W401	T115-H319 WeakPolarHBondContact CA-NE2 3.46Å; T115-H319 PolarHBondContact OG1-NE2 3.43Å; H319-I354 HydrophobicContact CB-CG2 4.34Å; H319-A355 WeakPolarHBondContact CA-O 3.29Å; H319-T357 VanDerWaalsContact CE1-CB 3.45Å; H319-T357 WeakPolarHBondContact CE1-CB 3.47Å; H319-T357 PolarHBondContact CE1-OG1 3.19Å; H319-T357 PolarHBondContact ND1-OG1 3.24Å; H319-T357 WeakPolarHBondContact NE2-CB 3.47Å; H319-A400 CarbonylContact O-C 3.57Å; H319-A400 VanDerWaalsContact O-CA 3.25Å; H319-A400 WeakPolarHBondContact O-CA 3.37Å; H319-W401 HydrophobicContact CB-CD2 3.97Å; H319-W401 HydrophobicContact CB-CE3 4.07Å; H319-W401 HydrophobicContact CB-CH2 3.43Å; H319-W401 VanDerWaalsContact CB-CH2 3.43Å; H319-W401 HydrophobicContact CB-CZ2 3.3Å; H319-W401 HydrophobicContact CB-CZ3 3.79Å; H319-W401 AromaticContact CG-CE2 3.89Å; H319-W401 AromaticContact CG-CZ2 3.55Å; H319-W401 PolarHBondContact N-O 3.12Å; H319-W401 AromaticContact ND1-CE2 3.95Å; H319-W401 AromaticContact ND1-CZ2 3.96Å; H319-W401 AromaticContact ND1-NE1 3.71Å; H319-W401 PolarHBondContact O-N 2.8Å
320	I	96.8	Very high	90.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.9	173	65.4	177.3	0	0	0	109.9	M322 I354 A355 I375 I378 L379 V397 A399 A400	I320-M322 HydrophobicContact CD1-CG 4.05Å; I320-M322 HydrophobicContact CD1-SD 3.82Å; I320-M322 HydrophobicContact CG1-CG 4.28Å; I320-I354 WeakPolarHBondContact O-CA 3.29Å; I320-A355 HydrophobicContact CD1-CB 4.24Å; I320-A355 HydrophobicContact CG1-CB 3.83Å; I320-A355 PolarHBondContact N-O 2.75Å; I320-A355 PolarHBondContact O-N 3.42Å; I320-I375 HydrophobicContact CG2-CB 4.35Å; I320-I375 HydrophobicContact CG2-CG1 3.93Å; I320-I375 HydrophobicContact CG2-CG2 4.1Å; I320-I378 HydrophobicContact CD1-CB 4.12Å; I320-I378 HydrophobicContact CD1-CG2 3.56Å; I320-I378 HydrophobicContact CG1-CG2 3.82Å; I320-I378 HydrophobicContact CG2-CD1 4.19Å; I320-L379 HydrophobicContact CD1-CD2 3.8Å; I320-L379 HydrophobicContact CD1-CG 4.08Å; I320-V397 HydrophobicContact CB-CG1 4Å; I320-V397 HydrophobicContact CB-CG2 4.45Å; I320-V397 HydrophobicContact CD1-CG2 4.11Å; I320-V397 HydrophobicContact CG2-CG1 4.12Å; I320-A399 CarbonylContact C-O 3.52Å; I320-A399 WeakPolarHBondContact CA-O 3.31Å; I320-A400 HydrophobicContact CG2-CB 4.04Å
321	V	96.8	Very high	90.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.2	166.1	-176.9	0	0	0	0	109.3	M352 T353 I354 V397 L398 A399 W401 F563 L564	V321-M352 HydrophobicContact CG1-CB 3.47Å; V321-M352 VanDerWaalsContact CG1-CB 3.47Å; V321-M352 HydrophobicContact CG1-CG 4.07Å; V321-T353 CarbonylContact C-O 3.37Å; V321-T353 WeakPolarHBondContact CA-O 3.37Å; V321-I354 HydrophobicContact CG2-CG1 4.35Å; V321-V397 CarbonylContact O-C 3.22Å; V321-V397 WeakPolarHBondContact O-CA 3.29Å; V321-L398 PolarHBondContact O-N 3.24Å; V321-A399 HydrophobicContact CB-CB 4.28Å; V321-A399 HydrophobicContact CG2-CB 4.38Å; V321-A399 PolarHBondContact N-O 3.38Å; V321-W401 HydrophobicContact CG2-CE3 4.42Å; V321-W401 HydrophobicContact CG2-CH2 4.36Å; V321-W401 HydrophobicContact CG2-CZ3 3.55Å; V321-F563 WeakPolarHBondContact CG2-O 3.37Å; V321-L564 WeakPolarHBondContact CG1-O 3.49Å
322	M	94.1	Very high	90.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	165.2	176.7	-57.1	-176.8	-56.4	0	0	109.5	I320 Y326 T353 A355 L379 V382 D396	I320-M322 HydrophobicContact CD1-CG 4.05Å; I320-M322 HydrophobicContact CD1-SD 3.82Å; I320-M322 HydrophobicContact CG1-CG 4.28Å; M322-Y326 HydrophobicContact CB-CD2 3.69Å; M322-Y326 HydrophobicContact CB-CE2 4.3Å; M322-Y326 HydrophobicContact CB-CG 4.36Å; M322-Y326 HydrophobicContact CE-CD2 4.37Å; M322-Y326 HydrophobicContact CE-CG 4.04Å; M322-Y326 HydrophobicContact SD-CD2 4.43Å; M322-T353 HydrophobicContact CE-CG2 4.22Å; M322-T353 PolarHBondContact N-O 3.17Å; M322-T353 PolarHBondContact O-N 2.85Å; M322-A355 HydrophobicContact CE-CB 3.91Å; M322-L379 HydrophobicContact SD-CD2 4.15Å; M322-V382 HydrophobicContact CE-CG1 4.06Å; M322-V382 HydrophobicContact CE-CG2 4.15Å; M322-V382 HydrophobicContact SD-CG1 4.45Å; M322-V382 HydrophobicContact SD-CG2 4.5Å; M322-D396 WeakPolarHBondContact CA-O 3.45Å
323	P	92.7	Very high	90.5	Very high	20 Å²	20	27.6 Å²	27.6	13%	0.13	15%	0.152	C	C	.	.			trans	-48.4	147.6	172.8	-32	35.3	0	0	0	113.6	Y325 Y326 T353 D396 L398	P323-Y325 HydrophobicContact CB-CD1 3.62Å; P323-Y325 HydrophobicContact CB-CD2 4.47Å; P323-Y325 HydrophobicContact CB-CE1 3.2Å; P323-Y325 HydrophobicContact CB-CE2 4.14Å; P323-Y325 HydrophobicContact CB-CG 4.24Å; P323-Y325 VanDerWaalsContact CB-CZ 3.48Å; P323-Y325 HydrophobicContact CG-CE1 3.87Å; P323-Y325 PolarHBondContact O-N 2.99Å; P323-Y325 VanDerWaalsContact O-N 3.14Å; P323-Y326 HydrophobicContact CB-CD2 4.27Å; P323-Y326 HydrophobicContact CG-CD2 4.47Å; P323-Y326 HydrophobicContact CG-CE2 4.4Å; P323-Y326 PolarHBondContact O-N 3.25Å; P323-Y326 VanDerWaalsContact O-N 3.16Å; P323-T353 PolarHBondContact O-OG1 2.9Å; P323-T353 VanDerWaalsContact O-OG1 3.07Å; P323-D396 WeakPolarHBondContact CD-O 3Å; P323-L398 HydrophobicContact CG-CD1 4.36Å
324	G	90.1	Very high	90.4	Very high	15 Å²	15	23.8 Å²	23.8	16%	0.155	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-53.8	-35.3	-176.9	0	0	0	0	0	113.7	Y326 S327 K351 T353	G324-Y326 PolarHBondContact O-N 3.39Å; G324-S327 PolarHBondContact O-N 2.85Å; G324-S327 VanDerWaalsContact O-N 3.11Å; G324-K351 WeakPolarHBondContact CA-O 3.44Å; G324-T353 PolarHBondContact O-OG1 3.47Å; G324-T353 VanDerWaalsContact O-OG1 3.1Å
325	Y	86.8	Confident	89.9	Confident	129 Å²	129	22.6 Å²	22.6	51%	0.506	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-58.2	-27.5	-177.8	55.6	-106.1	0	0	0	113.4	M209 P323 S327	M209-Y325 HydrophobicContact CE-CD2 4.42Å; M209-Y325 WeakPolarHBondContact CE-O 3.32Å; P323-Y325 HydrophobicContact CB-CD1 3.62Å; P323-Y325 HydrophobicContact CB-CD2 4.47Å; P323-Y325 HydrophobicContact CB-CE1 3.2Å; P323-Y325 HydrophobicContact CB-CE2 4.14Å; P323-Y325 HydrophobicContact CB-CG 4.24Å; P323-Y325 VanDerWaalsContact CB-CZ 3.48Å; P323-Y325 HydrophobicContact CG-CE1 3.87Å; P323-Y325 PolarHBondContact O-N 2.99Å; P323-Y325 VanDerWaalsContact O-N 3.14Å; Y325-S327 PolarHBondContact O-N 2.96Å
326	Y	88.7	Confident	89	Confident	5 Å²	5	23.9 Å²	23.9	2%	0.02	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-63.7	-6.1	178.3	-77.7	-67.7	0	0	0	115.6	F207 M322 P323 G324 L386 V390 E391 V392 D396	F207-Y326 WeakPolarHBondContact CZ-O 3.39Å; M322-Y326 HydrophobicContact CB-CD2 3.69Å; M322-Y326 HydrophobicContact CB-CE2 4.3Å; M322-Y326 HydrophobicContact CB-CG 4.36Å; M322-Y326 HydrophobicContact CE-CD2 4.37Å; M322-Y326 HydrophobicContact CE-CG 4.04Å; M322-Y326 HydrophobicContact SD-CD2 4.43Å; P323-Y326 HydrophobicContact CB-CD2 4.27Å; P323-Y326 HydrophobicContact CG-CD2 4.47Å; P323-Y326 HydrophobicContact CG-CE2 4.4Å; P323-Y326 PolarHBondContact O-N 3.25Å; P323-Y326 VanDerWaalsContact O-N 3.16Å; G324-Y326 PolarHBondContact O-N 3.39Å; Y326-L386 HydrophobicContact CD1-CD1 3.58Å; Y326-L386 HydrophobicContact CE1-CD1 3.7Å; Y326-V390 HydrophobicContact CE1-CG1 4.02Å; Y326-E391 PolarHBondContact OH-O 3.28Å; Y326-E391 VanDerWaalsContact OH-O 3.09Å; Y326-V392 HydrophobicContact CE1-CG2 4Å; Y326-D396 HydrophobicContact CE2-CB 3.89Å; Y326-D396 PolarHBondContact OH-OD2 2.85Å
327	S	85.8	Confident	88.1	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-140.2	154.4	167	59.6	0	0	0	0	110.7	G324 Y325 T353	G324-S327 PolarHBondContact O-N 2.85Å; G324-S327 VanDerWaalsContact O-N 3.11Å; Y325-S327 PolarHBondContact O-N 2.96Å; S327-T353 PolarHBondContact N-OG1 2.99Å; S327-T353 VanDerWaalsContact N-OG1 3.14Å; S327-T353 PolarHBondContact OG-OG1 2.67Å
328	P	82.4	Confident	87.1	Confident	19 Å²	19	26.6 Å²	26.6	12%	0.123	16%	0.156	C	C	.	.			trans	-60.9	139.2	170	-20.4	30.9	0	0	0	111.4	Y206 F207 S330 M331	Y206-P328 WeakPolarHBondContact O-CG 3.43Å; F207-P328 HydrophobicContact CB-CG 3.82Å; F207-P328 HydrophobicContact CD1-CG 4.34Å; F207-P328 HydrophobicContact CD2-CG 4.09Å; F207-P328 HydrophobicContact CG-CG 3.86Å; P328-S330 PolarHBondContact O-N 3.04Å; P328-M331 HydrophobicContact CB-CB 4.12Å; P328-M331 WeakPolarHBondContact CD-O 3.43Å; P328-M331 HydrophobicContact CG-CB 4.49Å; P328-M331 PolarHBondContact O-N 2.73Å; P328-M331 VanDerWaalsContact O-N 3.11Å
329	D	75.6	Confident	85.8	Confident	150 Å²	150	30.9 Å²	30.9	80%	0.802	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-29	-172.7	-67.2	-22.4	0	0	0	115.3
330	S	82.8	Confident	84.6	Confident	84 Å²	84	34.4 Å²	34.4	59%	0.587	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127	10.7	-174.5	56.5	0	0	0	0	114	P162 P328	P162-S330 VanDerWaalsContact CD-O 3.28Å; P162-S330 WeakPolarHBondContact CD-O 3.37Å; P162-S330 WeakPolarHBondContact CG-O 3.44Å; P328-S330 PolarHBondContact O-N 3.04Å
331	M	90.9	Very high	83.2	Confident	7 Å²	7	36.3 Å²	36.3	3%	0.034	23%	0.225	C	C	.	.			trans	-142.8	128.3	-176	-170.3	178	-61.3	0	0	112.1	P162 M164 Y206 V220 P328	P162-M331 HydrophobicContact CB-CE 4.26Å; P162-M331 HydrophobicContact CB-CG 4.12Å; P162-M331 HydrophobicContact CG-CB 4.14Å; P162-M331 HydrophobicContact CG-CE 4.36Å; P162-M331 HydrophobicContact CG-CG 4.12Å; P162-M331 CarbonylContact O-C 3.48Å; P162-M331 WeakPolarHBondContact O-CA 3.01Å; P162-M331 WeakPolarHBondContact O-CG 3.45Å; M164-M331 HydrophobicContact CB-CG 4.24Å; M164-M331 HydrophobicContact CB-SD 3.77Å; M164-M331 HydrophobicContact CE-SD 3.48Å; M164-M331 WeakPolarHBondContact CE-SD 3.49Å; M164-M331 HydrophobicContact CG-SD 4.49Å; Y206-M331 HydrophobicContact CD1-CE 4.34Å; V220-M331 HydrophobicContact CG1-CE 4.44Å; V220-M331 HydrophobicContact CG2-CE 4.42Å; V220-M331 HydrophobicContact CG2-SD 4.14Å; P328-M331 HydrophobicContact CB-CB 4.12Å; P328-M331 WeakPolarHBondContact CD-O 3.43Å; P328-M331 HydrophobicContact CG-CB 4.49Å; P328-M331 PolarHBondContact O-N 2.73Å; P328-M331 VanDerWaalsContact O-N 3.11Å
332	G	91.4	Very high	82.2	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	161.3	172.5	0	0	0	0	0	112.6	P162 I163 M164 F346	P162-G332 PolarHBondContact O-N 3Å; I163-G332 CarbonylContact C-O 3.58Å; I163-G332 WeakPolarHBondContact CA-O 3.36Å; M164-G332 PolarHBondContact N-O 3.1Å; G332-F346 CarbonylContact C-O 3.48Å; G332-F346 WeakPolarHBondContact CA-O 3.3Å
333	L	90	Very high	81.6	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.6	167.6	-167.1	82	0	0	0	109.8	M164 P166 F207 L210 F345 F346 Y385	M164-L333 HydrophobicContact CB-CD1 4.24Å; M164-L333 HydrophobicContact CG-CD1 4.41Å; M164-L333 WeakPolarHBondContact O-CA 3.21Å; M164-L333 HydrophobicContact SD-CD1 4.36Å; P166-L333 HydrophobicContact CG-CD1 3.94Å; P166-L333 HydrophobicContact CG-CG 4.49Å; F207-L333 HydrophobicContact CD1-CD1 4.16Å; F207-L333 HydrophobicContact CE1-CD1 4.28Å; F207-L333 HydrophobicContact CE1-CD2 4.14Å; L210-L333 HydrophobicContact CD1-CD1 4.23Å; L210-L333 HydrophobicContact CD1-CD2 4.49Å; L333-F345 WeakPolarHBondContact O-CA 3.37Å; L333-F346 HydrophobicContact CB-CB 3.94Å; L333-F346 HydrophobicContact CB-CD2 3.92Å; L333-F346 HydrophobicContact CB-CG 4.2Å; L333-F346 HydrophobicContact CD2-CD2 3.84Å; L333-F346 HydrophobicContact CD2-CE2 4.05Å; L333-F346 HydrophobicContact CD2-CG 4.37Å; L333-F346 HydrophobicContact CG-CD2 4.28Å; L333-F346 PolarHBondContact N-O 3.33Å; L333-F346 PolarHBondContact O-N 3.1Å; L333-Y385 HydrophobicContact CD2-CD1 4.38Å
334	L	88.2	Confident	81.3	Confident	19 Å²	19	39.8 Å²	39.8	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	121.3	171.7	177	58.9	0	0	0	110.9	I163 M164 L165 P166 Y221 P336 V343 F345	I163-L334 HydrophobicContact CG2-CB 3.68Å; M164-L334 PolarHBondContact O-N 2.98Å; L165-L334 HydrophobicContact CD1-CB 4.32Å; L165-L334 HydrophobicContact CD1-CD2 4.15Å; L165-L334 HydrophobicContact CD1-CG 4.12Å; P166-L334 WeakPolarHBondContact CD-O 3.4Å; Y221-L334 HydrophobicContact CE1-CD2 3.96Å; L334-P336 WeakPolarHBondContact O-CD 3.33Å; L334-V343 HydrophobicContact CD1-CG1 3.21Å; L334-V343 HydrophobicContact CG-CG1 4.47Å; L334-F345 HydrophobicContact CD1-CD1 3.77Å; L334-F345 HydrophobicContact CD1-CD2 4.5Å; L334-F345 HydrophobicContact CD1-CE1 3.43Å; L334-F345 VanDerWaalsContact CD1-CE1 3.43Å; L334-F345 HydrophobicContact CD1-CE2 4.2Å; L334-F345 HydrophobicContact CD1-CG 4.3Å; L334-F345 HydrophobicContact CD1-CZ 3.66Å; L334-F345 HydrophobicContact CG-CE1 4.4Å
335	D	82.5	Confident	81.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.1	160.3	173.9	6.2	0	0	0	109.4	A337 T338 V343 I344 F346 Y385	D335-A337 VanDerWaalsContact C-N 3.34Å; D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 PolarHBondContact OD1-N 3.14Å; D335-T338 VanDerWaalsContact OD2-CG2 3.25Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.43Å; D335-V343 VanDerWaalsContact O-CA 3.28Å; D335-V343 WeakPolarHBondContact O-CA 3.32Å; D335-V343 WeakPolarHBondContact O-CG1 3.47Å; D335-I344 HydrophobicContact CB-CB 4.38Å; D335-I344 PolarHBondContact N-O 3.39Å; D335-I344 PolarHBondContact O-N 3.49Å; D335-I344 VanDerWaalsContact O-N 3.16Å; D335-F346 HydrophobicContact CB-CE2 4.22Å; D335-Y385 HydrophobicContact CB-CD2 4.27Å; D335-Y385 HydrophobicContact CB-CE1 4.38Å; D335-Y385 HydrophobicContact CB-CE2 3.69Å; D335-Y385 VanDerWaalsContact OD1-CZ 3.24Å; D335-Y385 PolarHBondContact OD1-OH 3.32Å; D335-Y385 WeakPolarHBondContact OD2-CE2 3.16Å
336	P	73	Confident	81.5	Confident	35 Å²	35	34.4 Å²	34.4	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	-79.4	-12.1	-177.4	36.1	-39.1	0	0	0	114.2	L165 L334	L165-P336 HydrophobicContact CD1-CB 3.95Å; L165-P336 HydrophobicContact CD1-CG 3.69Å; L334-P336 WeakPolarHBondContact O-CD 3.33Å
337	A	74.9	Confident	81.8	Confident	59 Å²	59	34.2 Å²	34.2	49%	0.488	21%	0.213	S	C	.	.			trans	-157.8	88.2	-174.1	0	0	0	0	0	111.5	D335 R342	D335-A337 VanDerWaalsContact C-N 3.34Å; D335-A337 PolarHBondContact O-N 2.97Å; D335-A337 PolarHBondContact OD1-N 3.14Å; A337-R342 WeakPolarHBondContact CA-O 3.44Å
338	T	73.1	Confident	82.2	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.055	22%	0.216	C	C	.	.			trans	-64.3	173.3	169.4	52.2	0	0	0	0	111.7	D335 D340 G341 R342 I344 E381	D335-T338 VanDerWaalsContact OD2-CG2 3.25Å; D335-T338 WeakPolarHBondContact OD2-CG2 3.43Å; T338-D340 PolarHBondContact O-N 3.48Å; T338-D340 PolarHBondContact OG1-OD1 3.05Å; T338-G341 PolarHBondContact O-N 3.5Å; T338-R342 PolarHBondContact N-O 3.33Å; T338-R342 VanDerWaalsContact OG1-CA 3.27Å; T338-R342 WeakPolarHBondContact OG1-CA 3.27Å; T338-R342 WeakPolarHBondContact OG1-CB 3.33Å; T338-R342 PolarHBondContact OG1-N 2.92Å; T338-R342 PolarHBondContact OG1-O 2.76Å; T338-R342 VanDerWaalsContact OG1-O 3.09Å; T338-I344 HydrophobicContact CG2-CB 4.03Å; T338-I344 HydrophobicContact CG2-CD1 3.54Å; T338-I344 HydrophobicContact CG2-CG1 3.61Å; T338-E381 VanDerWaalsContact CA-OE2 3.28Å; T338-E381 WeakPolarHBondContact CA-OE2 3.43Å; T338-E381 VanDerWaalsContact CB-OE2 3.22Å; T338-E381 WeakPolarHBondContact CB-OE2 3.47Å; T338-E381 HydrophobicContact CG2-CB 4.48Å; T338-E381 HydrophobicContact CG2-CG 4.1Å
339	S	68.9	Low	82.7	Confident	89 Å²	89	34.2 Å²	34.2	62%	0.622	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-22.2	177	59.3	0	0	0	0	115.3	E381	S339-E381 VanDerWaalsContact CB-OE1 3.29Å; S339-E381 WeakPolarHBondContact CB-OE1 3.16Å; S339-E381 PolarHBondContact N-OE2 3.31Å; S339-E381 PolarHBondContact OG-OE1 3.11Å
340	D	71.8	Confident	83.5	Confident	76 Å²	76	29.9 Å²	29.9	41%	0.406	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	10	177.1	61.6	11.8	0	0	0	114.7	T338 R342 F377	T338-D340 PolarHBondContact O-N 3.48Å; T338-D340 PolarHBondContact OG1-OD1 3.05Å; D340-R342 VanDerWaalsContact C-N 3.32Å; D340-R342 VanDerWaalsContact CG-NE 3.31Å; D340-R342 PolarHBondContact O-N 2.72Å; D340-R342 VanDerWaalsContact OD1-CB 3.31Å; D340-R342 WeakPolarHBondContact OD1-CB 3.3Å; D340-R342 WeakPolarHBondContact OD1-CG 3.49Å; D340-R342 PolarHBondContact OD1-N 3Å; D340-R342 IonicContact OD1-NE 2.72Å; D340-R342 PolarHBondContact OD1-NE 3.28Å; D340-R342 IonicContact OD2-CZ 3.71Å; D340-R342 IonicContact OD2-NE 3.91Å; D340-R342 PolarHBondContact OD2-NE 2.66Å; D340-R342 IonicContact OD2-NH2 2.62Å; D340-R342 PolarHBondContact OD2-NH2 3.18Å; D340-F377 VanDerWaalsContact OD2-CZ 3.26Å; D340-F377 WeakPolarHBondContact OD2-CZ 3.5Å
341	G	66.9	Low	83.8	Confident	41 Å²	41	32.3 Å²	32.3	42%	0.423	19%	0.187	S	C	.	.	S	Bend	trans	79.1	9.5	177.7	0	0	0	0	0	115.4	R123 T338	R123-G341 PolarHBondContact NH2-O 2.95Å; R123-G341 VanDerWaalsContact NH2-O 3.17Å; T338-G341 PolarHBondContact O-N 3.5Å
342	R	76.4	Confident	84	Confident	62 Å²	62	33.5 Å²	33.5	23%	0.234	19%	0.192	C	C	.	.			trans	-78.9	-177.6	167.5	-63.2	-173	-72.9	-170.5	0.2	110.8	A337 T338 D340 D359 F377	A337-R342 WeakPolarHBondContact CA-O 3.44Å; T338-R342 PolarHBondContact N-O 3.33Å; T338-R342 VanDerWaalsContact OG1-CA 3.27Å; T338-R342 WeakPolarHBondContact OG1-CA 3.27Å; T338-R342 WeakPolarHBondContact OG1-CB 3.33Å; T338-R342 PolarHBondContact OG1-N 2.92Å; T338-R342 PolarHBondContact OG1-O 2.76Å; T338-R342 VanDerWaalsContact OG1-O 3.09Å; D340-R342 VanDerWaalsContact C-N 3.32Å; D340-R342 VanDerWaalsContact CG-NE 3.31Å; D340-R342 PolarHBondContact O-N 2.72Å; D340-R342 VanDerWaalsContact OD1-CB 3.31Å; D340-R342 WeakPolarHBondContact OD1-CB 3.3Å; D340-R342 WeakPolarHBondContact OD1-CG 3.49Å; D340-R342 PolarHBondContact OD1-N 3Å; D340-R342 IonicContact OD1-NE 2.72Å; D340-R342 PolarHBondContact OD1-NE 3.28Å; D340-R342 IonicContact OD2-CZ 3.71Å; D340-R342 IonicContact OD2-NE 3.91Å; D340-R342 PolarHBondContact OD2-NE 2.66Å; D340-R342 IonicContact OD2-NH2 2.62Å; D340-R342 PolarHBondContact OD2-NH2 3.18Å; R342-D359 PolarHBondContact NH1-O 3.37Å; R342-F377 VanDerWaalsContact NH2-CE1 3.27Å
343	V	80.6	Confident	84.1	Confident	31 Å²	31	33.4 Å²	33.4	19%	0.188	19%	0.192	C	C	.	.			trans	-124.6	130.3	-176.4	173.6	0	0	0	0	106.9	L334 D335 F345	L334-V343 HydrophobicContact CD1-CG1 3.21Å; L334-V343 HydrophobicContact CG-CG1 4.47Å; D335-V343 VanDerWaalsContact O-CA 3.28Å; D335-V343 WeakPolarHBondContact O-CA 3.32Å; D335-V343 WeakPolarHBondContact O-CG1 3.47Å; V343-F345 HydrophobicContact CG1-CD2 4.26Å; V343-F345 HydrophobicContact CG1-CE2 3.74Å; V343-F345 HydrophobicContact CG1-CZ 4.08Å
344	I	86.8	Confident	84.4	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.1	173.2	-75.2	173.8	0	0	0	109.2	D335 T338 F346 G356 F377 E381	D335-I344 HydrophobicContact CB-CB 4.38Å; D335-I344 PolarHBondContact N-O 3.39Å; D335-I344 PolarHBondContact O-N 3.49Å; D335-I344 VanDerWaalsContact O-N 3.16Å; T338-I344 HydrophobicContact CG2-CB 4.03Å; T338-I344 HydrophobicContact CG2-CD1 3.54Å; T338-I344 HydrophobicContact CG2-CG1 3.61Å; I344-F346 HydrophobicContact CB-CE2 4.49Å; I344-F346 HydrophobicContact CG2-CD2 4.25Å; I344-F346 HydrophobicContact CG2-CE2 3.69Å; I344-F346 HydrophobicContact CG2-CZ 3.88Å; I344-G356 CarbonylContact C-O 3.6Å; I344-G356 WeakPolarHBondContact CA-O 3.28Å; I344-F377 HydrophobicContact CD1-CE1 4.01Å; I344-E381 HydrophobicContact CD1-CB 3.48Å; I344-E381 VanDerWaalsContact CD1-CB 3.48Å; I344-E381 HydrophobicContact CD1-CG 3.64Å
345	F	90.5	Very high	84.7	Confident	29 Å²	29	32.5 Å²	32.5	13%	0.127	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	144.4	172.7	-68.9	-88.2	0	0	0	109.7	T115 L117 H119 I163 L333 L334 V343 L347 A355 G356	T115-F345 HydrophobicContact CG2-CB 4.48Å; T115-F345 HydrophobicContact CG2-CD2 4.46Å; L117-F345 HydrophobicContact CD1-CD1 3.96Å; L117-F345 HydrophobicContact CD1-CE1 4.15Å; L117-F345 HydrophobicContact CD1-CG 4.27Å; H119-F345 AromaticContact CE1-CE1 3.7Å; H119-F345 AromaticContact CE1-CE2 3.96Å; H119-F345 AromaticContact CE1-CZ 3.41Å; H119-F345 VanDerWaalsContact CE1-CZ 3.41Å; H119-F345 WeakPolarHBondContact CE1-CZ 3.38Å; H119-F345 AromaticContact NE2-CZ 3.94Å; I163-F345 HydrophobicContact CD1-CE1 4.33Å; L333-F345 WeakPolarHBondContact O-CA 3.37Å; L334-F345 HydrophobicContact CD1-CD1 3.77Å; L334-F345 HydrophobicContact CD1-CD2 4.5Å; L334-F345 HydrophobicContact CD1-CE1 3.43Å; L334-F345 VanDerWaalsContact CD1-CE1 3.43Å; L334-F345 HydrophobicContact CD1-CE2 4.2Å; L334-F345 HydrophobicContact CD1-CG 4.3Å; L334-F345 HydrophobicContact CD1-CZ 3.66Å; L334-F345 HydrophobicContact CG-CE1 4.4Å; V343-F345 HydrophobicContact CG1-CD2 4.26Å; V343-F345 HydrophobicContact CG1-CE2 3.74Å; V343-F345 HydrophobicContact CG1-CZ 4.08Å; F345-L347 HydrophobicContact CB-CD1 3.93Å; F345-L347 HydrophobicContact CB-CD2 3.98Å; F345-L347 HydrophobicContact CB-CG 3.81Å; F345-L347 HydrophobicContact CD1-CD2 4.14Å; F345-L347 HydrophobicContact CG-CD2 4.47Å; F345-A355 VanDerWaalsContact O-CA 3.32Å; F345-A355 WeakPolarHBondContact O-CA 3.48Å; F345-G356 PolarHBondContact N-O 3.27Å; F345-G356 PolarHBondContact O-N 2.68Å; F345-G356 VanDerWaalsContact O-N 3.12Å
346	F	90.7	Very high	85.2	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	112.7	168.8	-50.1	-111	0	0	0	105.9	G332 L333 D335 I344 T353 I354 A355 V382	G332-F346 CarbonylContact C-O 3.48Å; G332-F346 WeakPolarHBondContact CA-O 3.3Å; L333-F346 HydrophobicContact CB-CB 3.94Å; L333-F346 HydrophobicContact CB-CD2 3.92Å; L333-F346 HydrophobicContact CB-CG 4.2Å; L333-F346 HydrophobicContact CD2-CD2 3.84Å; L333-F346 HydrophobicContact CD2-CE2 4.05Å; L333-F346 HydrophobicContact CD2-CG 4.37Å; L333-F346 HydrophobicContact CG-CD2 4.28Å; L333-F346 PolarHBondContact N-O 3.33Å; L333-F346 PolarHBondContact O-N 3.1Å; D335-F346 HydrophobicContact CB-CE2 4.22Å; I344-F346 HydrophobicContact CB-CE2 4.49Å; I344-F346 HydrophobicContact CG2-CD2 4.25Å; I344-F346 HydrophobicContact CG2-CE2 3.69Å; I344-F346 HydrophobicContact CG2-CZ 3.88Å; F346-T353 HydrophobicContact CB-CG2 4.39Å; F346-I354 CarbonylContact C-O 3.3Å; F346-I354 VanDerWaalsContact CA-O 3.28Å; F346-I354 WeakPolarHBondContact CA-O 3.4Å; F346-A355 HydrophobicContact CD1-CB 4.34Å; F346-V382 HydrophobicContact CD1-CG2 4.25Å; F346-V382 HydrophobicContact CE1-CB 3.79Å; F346-V382 HydrophobicContact CE1-CG1 3.85Å; F346-V382 HydrophobicContact CE1-CG2 3.42Å; F346-V382 VanDerWaalsContact CE1-CG2 3.42Å; F346-V382 HydrophobicContact CZ-CB 4.43Å; F346-V382 HydrophobicContact CZ-CG2 4.13Å
347	L	93.9	Very high	86	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.7	-166.3	-54.7	169.5	0	0	0	109.5	T115 L117 L161 F345 W349 T353 I354	T115-L347 HydrophobicContact CG2-CD1 3.62Å; L117-L347 HydrophobicContact CD1-CD1 3.43Å; L117-L347 VanDerWaalsContact CD1-CD1 3.43Å; L117-L347 HydrophobicContact CD1-CD2 3.85Å; L117-L347 HydrophobicContact CD1-CG 4.28Å; L117-L347 HydrophobicContact CD2-CD1 4Å; L117-L347 HydrophobicContact CD2-CD2 4.29Å; L117-L347 HydrophobicContact CG-CD1 3.57Å; L117-L347 HydrophobicContact CG-CD2 4.48Å; L161-L347 HydrophobicContact CD2-CD2 3.81Å; F345-L347 HydrophobicContact CB-CD1 3.93Å; F345-L347 HydrophobicContact CB-CD2 3.98Å; F345-L347 HydrophobicContact CB-CG 3.81Å; F345-L347 HydrophobicContact CD1-CD2 4.14Å; F345-L347 HydrophobicContact CG-CD2 4.47Å; L347-W349 PolarHBondContact O-N 3.05Å; L347-T353 CarbonylContact O-C 3.56Å; L347-T353 WeakPolarHBondContact O-CA 3.46Å; L347-I354 HydrophobicContact CB-CB 4.45Å; L347-I354 PolarHBondContact N-O 3.22Å; L347-I354 PolarHBondContact O-N 3.24Å
348	P	94.3	Very high	86.7	Confident	13 Å²	13	29.3 Å²	29.3	8%	0.084	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	126.7	167.9	28.7	-34.1	0	0	0	108.1	L161 Q225 M352	L161-P348 HydrophobicContact CD1-CG 3.94Å; Q225-P348 PolarHBondContact NE2-O 2.97Å; Q225-P348 PolarHBondContact OE1-O 3.06Å; P348-M352 CarbonylContact C-O 3.57Å; P348-M352 WeakPolarHBondContact CA-O 3.31Å
349	W	94	Very high	87.4	Confident	9 Å²	9	32.7 Å²	32.7	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	120.8	-179.9	-172.8	68.3	0	0	0	110	K116 L347 K351 M352 I354 R560 F563 L564	K116-W349 HydrophobicContact CG-CD2 4.43Å; K116-W349 HydrophobicContact CG-CZ2 4.03Å; L347-W349 PolarHBondContact O-N 3.05Å; W349-K351 VanDerWaalsContact C-N 3.26Å; W349-K351 PolarHBondContact O-N 2.8Å; W349-M352 PolarHBondContact N-O 3.24Å; W349-M352 PolarHBondContact O-N 3.49Å; W349-I354 HydrophobicContact CB-CD1 3.57Å; W349-I354 HydrophobicContact CB-CG1 3.92Å; W349-I354 HydrophobicContact CD2-CD1 3.55Å; W349-I354 HydrophobicContact CD2-CG1 4.4Å; W349-I354 HydrophobicContact CE3-CD1 3.53Å; W349-I354 HydrophobicContact CE3-CG1 4.06Å; W349-I354 HydrophobicContact CG-CD1 3.58Å; W349-I354 HydrophobicContact CG-CG1 4.39Å; W349-I354 HydrophobicContact CZ3-CD1 4.36Å; W349-R560 HydrophobicContact CH2-CB 3.86Å; W349-R560 HydrophobicContact CH2-CG 4.04Å; W349-R560 HydrophobicContact CZ2-CG 4.31Å; W349-F563 HydrophobicContact CH2-CB 4.43Å; W349-F563 HydrophobicContact CZ3-CB 4.27Å; W349-L564 HydrophobicContact CE3-CD2 3.42Å; W349-L564 VanDerWaalsContact CE3-CD2 3.42Å; W349-L564 HydrophobicContact CH2-CD2 4.39Å; W349-L564 HydrophobicContact CZ3-CD2 3.35Å; W349-L564 HydrophobicContact CZ3-CG 4.12Å
350	E	91.6	Very high	88.3	Confident	59 Å²	59	30.6 Å²	30.6	28%	0.276	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	46.7	-178.3	-51.9	-71	180	0	0	112.2	N227 M352 L564	N227-E350 PolarHBondContact ND2-OE1 2.93Å; E350-M352 PolarHBondContact O-N 3.43Å; E350-M352 VanDerWaalsContact O-N 3.16Å; E350-L564 HydrophobicContact CB-CD1 3.7Å; E350-L564 HydrophobicContact CB-CD2 3.78Å; E350-L564 HydrophobicContact CB-CG 4.39Å; E350-L564 HydrophobicContact CG-CD1 4.34Å; E350-L564 HydrophobicContact CG-CD2 4.36Å
351	K	89.6	Confident	89.2	Confident	136 Å²	136	32.4 Å²	32.4	59%	0.591	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	7.3	-176.6	-54.7	-174.3	174	-167.1	0	116.5	G324 W349 E495	G324-K351 WeakPolarHBondContact CA-O 3.44Å; W349-K351 VanDerWaalsContact C-N 3.26Å; W349-K351 PolarHBondContact O-N 2.8Å; K351-E495 WeakPolarHBondContact CE-OE1 3.39Å; K351-E495 VanDerWaalsContact NZ-CG 3.28Å; K351-E495 IonicContact NZ-OE1 2.87Å; K351-E495 PolarHBondContact NZ-OE1 3.37Å
352	M	94.1	Very high	90.4	Very high	31 Å²	31	32.2 Å²	32.2	15%	0.153	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	175.4	174.7	-58.6	-59.9	177.2	0	0	110.6	V321 P348 W349 E350 L398 F533 L564	V321-M352 HydrophobicContact CG1-CB 3.47Å; V321-M352 VanDerWaalsContact CG1-CB 3.47Å; V321-M352 HydrophobicContact CG1-CG 4.07Å; P348-M352 CarbonylContact C-O 3.57Å; P348-M352 WeakPolarHBondContact CA-O 3.31Å; W349-M352 PolarHBondContact N-O 3.24Å; W349-M352 PolarHBondContact O-N 3.49Å; E350-M352 PolarHBondContact O-N 3.43Å; E350-M352 VanDerWaalsContact O-N 3.16Å; M352-L398 HydrophobicContact CE-CD1 4.23Å; M352-L398 HydrophobicContact SD-CD1 3.75Å; M352-F533 HydrophobicContact CE-CE1 3.61Å; M352-F533 HydrophobicContact CE-CZ 3.56Å; M352-L564 HydrophobicContact CB-CD2 4.31Å; M352-L564 HydrophobicContact CG-CD2 4.16Å
353	T	95	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.2	175.5	-58.9	0	0	0	0	110.2	V321 M322 P323 G324 S327 F346 L347	V321-T353 CarbonylContact C-O 3.37Å; V321-T353 WeakPolarHBondContact CA-O 3.37Å; M322-T353 HydrophobicContact CE-CG2 4.22Å; M322-T353 PolarHBondContact N-O 3.17Å; M322-T353 PolarHBondContact O-N 2.85Å; P323-T353 PolarHBondContact O-OG1 2.9Å; P323-T353 VanDerWaalsContact O-OG1 3.07Å; G324-T353 PolarHBondContact O-OG1 3.47Å; G324-T353 VanDerWaalsContact O-OG1 3.1Å; S327-T353 PolarHBondContact N-OG1 2.99Å; S327-T353 VanDerWaalsContact N-OG1 3.14Å; S327-T353 PolarHBondContact OG-OG1 2.67Å; F346-T353 HydrophobicContact CB-CG2 4.39Å; L347-T353 CarbonylContact O-C 3.56Å; L347-T353 WeakPolarHBondContact O-CA 3.46Å
354	I	95.9	Very high	91.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	129	166.6	-64.7	173.3	0	0	0	108.8	K116 H319 I320 V321 F346 L347 W349 W401	K116-I354 HydrophobicContact CB-CD1 4.42Å; K116-I354 HydrophobicContact CD-CD1 4.25Å; K116-I354 HydrophobicContact CG-CD1 4.27Å; H319-I354 HydrophobicContact CB-CG2 4.34Å; I320-I354 WeakPolarHBondContact O-CA 3.29Å; V321-I354 HydrophobicContact CG2-CG1 4.35Å; F346-I354 CarbonylContact C-O 3.3Å; F346-I354 VanDerWaalsContact CA-O 3.28Å; F346-I354 WeakPolarHBondContact CA-O 3.4Å; L347-I354 HydrophobicContact CB-CB 4.45Å; L347-I354 PolarHBondContact N-O 3.22Å; L347-I354 PolarHBondContact O-N 3.24Å; W349-I354 HydrophobicContact CB-CD1 3.57Å; W349-I354 HydrophobicContact CB-CG1 3.92Å; W349-I354 HydrophobicContact CD2-CD1 3.55Å; W349-I354 HydrophobicContact CD2-CG1 4.4Å; W349-I354 HydrophobicContact CE3-CD1 3.53Å; W349-I354 HydrophobicContact CE3-CG1 4.06Å; W349-I354 HydrophobicContact CG-CD1 3.58Å; W349-I354 HydrophobicContact CG-CG1 4.39Å; W349-I354 HydrophobicContact CZ3-CD1 4.36Å; I354-W401 HydrophobicContact CD1-CH2 3.95Å; I354-W401 HydrophobicContact CG1-CH2 3.98Å; I354-W401 HydrophobicContact CG2-CH2 3.78Å; I354-W401 HydrophobicContact CG2-CZ2 4.45Å
355	A	94.8	Very high	92.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	167.5	0	0	0	0	0	111.4	H319 I320 M322 F345 F346 I378 V382	H319-A355 WeakPolarHBondContact CA-O 3.29Å; I320-A355 HydrophobicContact CD1-CB 4.24Å; I320-A355 HydrophobicContact CG1-CB 3.83Å; I320-A355 PolarHBondContact N-O 2.75Å; I320-A355 PolarHBondContact O-N 3.42Å; M322-A355 HydrophobicContact CE-CB 3.91Å; F345-A355 VanDerWaalsContact O-CA 3.32Å; F345-A355 WeakPolarHBondContact O-CA 3.48Å; F346-A355 HydrophobicContact CD1-CB 4.34Å; A355-I378 HydrophobicContact CB-CG2 3.75Å; A355-V382 HydrophobicContact CB-CG2 4.11Å
356	G	91.9	Very high	92.2	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	172	178.4	0	0	0	0	0	114	I344 F345	I344-G356 CarbonylContact C-O 3.6Å; I344-G356 WeakPolarHBondContact CA-O 3.28Å; F345-G356 PolarHBondContact N-O 3.27Å; F345-G356 PolarHBondContact O-N 2.68Å; F345-G356 VanDerWaalsContact O-N 3.12Å
357	T	89.8	Confident	92.3	Very high	26 Å²	26	46 Å²	46	16%	0.16	25%	0.253	C	S	.	.			cis	-140	163.4	18.5	-171.1	0	0	0	0	112.4	V318 H319 R405	V318-T357 PolarHBondContact N-OG1 3.34Å; V318-T357 VanDerWaalsContact O-CA 3.26Å; V318-T357 WeakPolarHBondContact O-CA 3.31Å; V318-T357 WeakPolarHBondContact O-CB 3.31Å; V318-T357 PolarHBondContact O-OG1 3.26Å; H319-T357 VanDerWaalsContact CE1-CB 3.45Å; H319-T357 WeakPolarHBondContact CE1-CB 3.47Å; H319-T357 PolarHBondContact CE1-OG1 3.19Å; H319-T357 PolarHBondContact ND1-OG1 3.24Å; H319-T357 WeakPolarHBondContact NE2-CB 3.47Å; T357-R405 PolarHBondContact OG1-NH2 2.94Å
358	T	89.6	Confident	92.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.257	C	S	.	.			trans	-87.5	171.7	169.4	65.9	0	0	0	0	112	G317 V318 D374 F377 I378 R405	G317-T358 VanDerWaalsContact CA-O 3.26Å; G317-T358 WeakPolarHBondContact CA-O 3.18Å; V318-T358 WeakPolarHBondContact CB-OG1 3.48Å; V318-T358 PolarHBondContact N-OG1 3.09Å; V318-T358 PolarHBondContact O-N 3.02Å; T358-D374 WeakPolarHBondContact CB-OD1 3.43Å; T358-D374 HydrophobicContact CG2-CB 3.85Å; T358-D374 WeakPolarHBondContact CG2-OD1 3.47Å; T358-D374 PolarHBondContact OG1-OD1 3Å; T358-F377 HydrophobicContact CG2-CD1 3.85Å; T358-F377 HydrophobicContact CG2-CE1 4.42Å; T358-I378 HydrophobicContact CG2-CD1 4.19Å; T358-I378 HydrophobicContact CG2-CG1 4.08Å; T358-R405 PolarHBondContact O-NH1 3.32Å; T358-R405 PolarHBondContact O-NH2 3.28Å; T358-R405 VanDerWaalsContact O-NH2 3.15Å
359	D	87.8	Confident	92.3	Very high	81 Å²	81	49.6 Å²	49.6	43%	0.433	27%	0.272	S	S	.	.			trans	-151.8	103.6	-180	-164.3	27.2	0	0	0	109	S315 A316 R342 R405	S315-D359 WeakPolarHBondContact CB-OD1 3.3Å; S315-D359 PolarHBondContact OG-OD1 3.08Å; A316-D359 WeakPolarHBondContact O-CA 3.28Å; R342-D359 PolarHBondContact NH1-O 3.37Å; D359-R405 IonicContact OD1-NH1 3.35Å; D359-R405 PolarHBondContact OD1-NH1 3.15Å; D359-R405 VanDerWaalsContact OD1-NH1 3.08Å
360	T	87.4	Confident	92.3	Very high	44 Å²	44	49.3 Å²	49.3	27%	0.27	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	126.6	-172.2	-42.1	0	0	0	0	109.8	S315 A316 T362	S315-T360 CarbonylContact C-O 3.57Å; S315-T360 PolarHBondContact OG-N 3.23Å; S315-T360 PolarHBondContact OG-O 3.01Å; A316-T360 PolarHBondContact N-O 3.35Å; A316-T360 PolarHBondContact O-N 3.23Å; T360-T362 PolarHBondContact O-N 2.69Å
361	P	91.1	Very high	92.2	Very high	114 Å²	114	53.4 Å²	53.4	74%	0.74	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.8	139.8	175.5	-26.9	34.8	0	0	0	112.2
362	T	92.8	Very high	92.1	Very high	37 Å²	37	49 Å²	49	23%	0.227	27%	0.265	C	S	.	.			trans	-149.8	163.2	-173.7	-160.6	0	0	0	0	111.8	P314 A316 T360 I404	P314-T362 HydrophobicContact CB-CG2 4.16Å; P314-T362 WeakPolarHBondContact CB-O 3.38Å; P314-T362 WeakPolarHBondContact CG-O 3.44Å; P314-T362 PolarHBondContact O-N 3.25Å; A316-T362 HydrophobicContact CB-CG2 3.83Å; T360-T362 PolarHBondContact O-N 2.69Å; T362-I404 HydrophobicContact CG2-CD1 4.4Å; T362-I404 HydrophobicContact CG2-CG1 4.21Å; T362-I404 HydrophobicContact CG2-CG2 4.17Å
363	D	92.8	Very high	91.9	Very high	139 Å²	139	53.6 Å²	53.6	74%	0.743	29%	0.291	S	S	*	.			trans	-83.6	151	169.5	-67.5	-49.7	0	0	0	110.9	T365	D363-T365 PolarHBondContact O-N 2.68Å
364	V	93.9	Very high	91.7	Very high	55 Å²	55	54.5 Å²	54.5	33%	0.333	30%	0.296	S	S	.	.			trans	-68.7	121.5	175.1	-176.4	0	0	0	0	109.4	P295 F296 P314	P295-V364 HydrophobicContact CB-CG1 3.99Å; P295-V364 HydrophobicContact CB-CG2 4.41Å; P295-V364 WeakPolarHBondContact O-CG2 3.38Å; F296-V364 HydrophobicContact CD1-CG1 3.61Å; F296-V364 HydrophobicContact CD2-CG1 4.24Å; F296-V364 HydrophobicContact CE1-CG1 3.5Å; F296-V364 VanDerWaalsContact CE1-CG1 3.5Å; F296-V364 HydrophobicContact CE2-CG1 4.13Å; F296-V364 HydrophobicContact CG-CG1 3.99Å; F296-V364 HydrophobicContact CZ-CG1 3.77Å; P314-V364 HydrophobicContact CB-CG2 3.89Å; P314-V364 HydrophobicContact CG-CG2 3.82Å
365	T	94.3	Very high	91.5	Very high	60 Å²	60	54.5 Å²	54.5	37%	0.368	30%	0.296	S	S	.	.			trans	-138	150.9	174.7	176.9	0	0	0	0	110.5	D363 H367 P368 I404	D363-T365 PolarHBondContact O-N 2.68Å; T365-H367 PolarHBondContact OG1-N 3.14Å; T365-H367 VanDerWaalsContact OG1-N 3.17Å; T365-P368 HydrophobicContact CG2-CB 4.29Å; T365-I404 HydrophobicContact CG2-CD1 3.95Å; T365-I404 WeakPolarHBondContact O-CD1 3.5Å
366	A	91.1	Very high	91.3	Very high	43 Å²	43	56.5 Å²	56.5	36%	0.355	31%	0.307	S	S	.	.	S	Bend	trans	-73.5	-21.4	173.7	0	0	0	0	0	112.2	F296 P368	F296-A366 HydrophobicContact CZ-CB 4.15Å; A366-P368 VanDerWaalsContact C-CD 3.44Å; A366-P368 VanDerWaalsContact O-CD 3.31Å; A366-P368 WeakPolarHBondContact O-CD 3.21Å
367	H	93.4	Very high	91.3	Very high	116 Å²	116	57.4 Å²	57.4	54%	0.537	31%	0.31	S	S	.	.	S	Bend	trans	-123.3	71.6	-174.2	-57.2	-73.5	0	0	0	110.1	T365 I369 E605	T365-H367 PolarHBondContact OG1-N 3.14Å; T365-H367 VanDerWaalsContact OG1-N 3.17Å; H367-I369 PolarHBondContact O-N 3.18Å; H367-E605 HydrophobicContact CB-CG 4.39Å; H367-E605 IonicContact CE1-OE1 3.17Å; H367-E605 IonicContact CG-OE1 3.9Å; H367-E605 IonicContact ND1-OE1 2.75Å; H367-E605 PolarHBondContact ND1-OE1 3.45Å
368	P	93.8	Very high	91.4	Very high	11 Å²	11	56.1 Å²	56.1	7%	0.071	30%	0.302	C	S	.	.			trans	-68.6	127.5	177.3	28.1	-33.5	0	0	0	110.7	T365 A366 S402 I404	T365-P368 HydrophobicContact CG2-CB 4.29Å; A366-P368 VanDerWaalsContact C-CD 3.44Å; A366-P368 VanDerWaalsContact O-CD 3.31Å; A366-P368 WeakPolarHBondContact O-CD 3.21Å; P368-S402 VanDerWaalsContact CG-O 3.26Å; P368-S402 WeakPolarHBondContact CG-O 3.49Å; P368-I404 HydrophobicContact CB-CD1 4.28Å; P368-I404 HydrophobicContact CB-CG1 4.04Å; P368-I404 HydrophobicContact CG-CG1 4.49Å
369	I	93.4	Very high	91.5	Very high	78 Å²	78	56.3 Å²	56.3	40%	0.4	30%	0.303	S	S	.	.			trans	-105.9	129.1	-175.7	-65.8	171.4	0	0	0	109.3	H367 H604	H367-I369 PolarHBondContact O-N 3.18Å; I369-H604 HydrophobicContact CD1-CB 4.17Å; I369-H604 HydrophobicContact CG1-CB 4.26Å; I369-H604 WeakPolarHBondContact CG2-O 3.14Å
370	P	93.4	Very high	91.6	Very high	3 Å²	3	58.4 Å²	58.4	2%	0.019	31%	0.305	C	S	.	.			trans	-67.4	131.8	171.4	30.4	-35.1	0	0	0	110.3	V318 I375 A400 E605	V318-P370 HydrophobicContact CG1-CB 3.85Å; V318-P370 HydrophobicContact CG2-CB 4.25Å; P370-I375 HydrophobicContact CB-CD1 4.38Å; P370-A400 HydrophobicContact CB-CB 4.2Å; P370-A400 HydrophobicContact CG-CB 4.19Å; P370-E605 WeakPolarHBondContact CD-O 3.28Å
371	R	90.2	Very high	91.7	Very high	146 Å²	146	56.6 Å²	56.6	55%	0.551	29%	0.294	S	S	*	.			trans	-88	147.2	177.2	-60.1	179.1	174.9	179.4	0	110.2	D373 D374 I375	R371-D373 VanDerWaalsContact C-N 3.29Å; R371-D373 PolarHBondContact O-N 2.88Å; R371-D374 WeakPolarHBondContact CB-OD2 3.48Å; R371-D374 WeakPolarHBondContact O-CB 3.15Å; R371-D374 PolarHBondContact O-N 3.49Å; R371-I375 PolarHBondContact O-N 3.22Å
372	E	87.3	Confident	91.7	Very high	42 Å²	42	51.1 Å²	51.1	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-60.9	-36.9	176.4	-82.7	-62.8	105.3	0	0	112.8	D374 I375 D376 R394 S610 R614	E372-D374 VanDerWaalsContact C-N 3.26Å; E372-D374 PolarHBondContact O-N 3.01Å; E372-I375 PolarHBondContact O-N 2.64Å; E372-I375 VanDerWaalsContact O-N 3.14Å; E372-I375 VanDerWaalsContact OE1-CD1 3.25Å; E372-I375 WeakPolarHBondContact OE1-CD1 3.39Å; E372-D376 WeakPolarHBondContact O-CB 3.39Å; E372-D376 PolarHBondContact O-N 3.4Å; E372-R394 IonicContact OE1-CZ 2.71Å; E372-R394 IonicContact OE1-NE 3.65Å; E372-R394 IonicContact OE1-NH2 3.52Å; E372-R394 PolarHBondContact OE1-NH2 3.29Å; E372-R394 IonicContact OE2-CZ 3.11Å; E372-R394 IonicContact OE2-NE 2.61Å; E372-R394 PolarHBondContact OE2-NE 3.36Å; E372-R394 IonicContact OE2-NH2 3.88Å; E372-S610 WeakPolarHBondContact CG-OG 3.38Å; E372-S610 WeakPolarHBondContact OE1-CA 3.38Å; E372-S610 WeakPolarHBondContact OE1-CB 3.31Å; E372-S610 PolarHBondContact OE1-OG 2.87Å; E372-R614 IonicContact OE2-CZ 3.86Å; E372-R614 IonicContact OE2-NE 3.57Å; E372-R614 IonicContact OE2-NH2 3.29Å; E372-R614 PolarHBondContact OE2-NH2 3.48Å
373	D	89.7	Confident	91.5	Very high	129 Å²	129	55.5 Å²	55.5	69%	0.69	27%	0.27	S	S	*	.	H	α-helix	trans	-61.7	-35.7	177.7	-64	-22.6	0	0	0	112.3	R371 F377	R371-D373 VanDerWaalsContact C-N 3.29Å; R371-D373 PolarHBondContact O-N 2.88Å; D373-F377 VanDerWaalsContact O-CB 3.31Å; D373-F377 WeakPolarHBondContact O-CB 3.48Å; D373-F377 PolarHBondContact O-N 3.11Å
374	D	91.9	Very high	91.2	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-69.6	-41	175.8	-70.5	-58.6	0	0	0	110.9	V318 T358 R371 E372 F377 I378	V318-D374 HydrophobicContact CB-CB 3.81Å; V318-D374 HydrophobicContact CG1-CB 4.08Å; V318-D374 HydrophobicContact CG2-CB 3.7Å; T358-D374 WeakPolarHBondContact CB-OD1 3.43Å; T358-D374 HydrophobicContact CG2-CB 3.85Å; T358-D374 WeakPolarHBondContact CG2-OD1 3.47Å; T358-D374 PolarHBondContact OG1-OD1 3Å; R371-D374 WeakPolarHBondContact CB-OD2 3.48Å; R371-D374 WeakPolarHBondContact O-CB 3.15Å; R371-D374 PolarHBondContact O-N 3.49Å; E372-D374 VanDerWaalsContact C-N 3.26Å; E372-D374 PolarHBondContact O-N 3.01Å; D374-F377 WeakPolarHBondContact O-CB 3.39Å; D374-F377 PolarHBondContact O-N 2.98Å; D374-I378 WeakPolarHBondContact O-CG1 3.21Å; D374-I378 PolarHBondContact O-N 3.04Å
375	I	91.9	Very high	90.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.9	-48.1	176.8	-67.3	165.2	0	0	0	110.5	V318 I320 P370 R371 E372 F377 I378 L379 V397 A400	V318-I375 HydrophobicContact CG1-CG1 4.33Å; I320-I375 HydrophobicContact CG2-CB 4.35Å; I320-I375 HydrophobicContact CG2-CG1 3.93Å; I320-I375 HydrophobicContact CG2-CG2 4.1Å; P370-I375 HydrophobicContact CB-CD1 4.38Å; R371-I375 PolarHBondContact O-N 3.22Å; E372-I375 PolarHBondContact O-N 2.64Å; E372-I375 VanDerWaalsContact O-N 3.14Å; E372-I375 VanDerWaalsContact OE1-CD1 3.25Å; E372-I375 WeakPolarHBondContact OE1-CD1 3.39Å; I375-F377 VanDerWaalsContact C-N 3.28Å; I375-F377 PolarHBondContact O-N 3.41Å; I375-I378 PolarHBondContact O-N 3.45Å; I375-L379 HydrophobicContact CG2-CD1 3.92Å; I375-L379 HydrophobicContact CG2-CG 4.48Å; I375-L379 WeakPolarHBondContact O-CG 3.23Å; I375-L379 PolarHBondContact O-N 3.1Å; I375-V397 HydrophobicContact CG2-CG2 4.28Å; I375-A400 HydrophobicContact CD1-CB 3.78Å; I375-A400 HydrophobicContact CG1-CB 4.13Å
376	D	90.3	Very high	90.3	Very high	43 Å²	43	50 Å²	50	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-65.8	-31.1	178.1	-78.3	-21.3	0	0	0	112.2	E372 R380 R614	E372-D376 WeakPolarHBondContact O-CB 3.39Å; E372-D376 PolarHBondContact O-N 3.4Å; D376-R380 WeakPolarHBondContact O-CB 3.2Å; D376-R380 VanDerWaalsContact O-CG 3.28Å; D376-R380 WeakPolarHBondContact O-CG 3.49Å; D376-R380 PolarHBondContact O-N 2.93Å; D376-R380 VanDerWaalsContact O-N 3.08Å; D376-R380 PolarHBondContact O-NE 3.21Å; D376-R614 IonicContact OD1-CZ 3.59Å; D376-R614 IonicContact OD1-NH1 3.48Å; D376-R614 IonicContact OD1-NH2 2.75Å; D376-R614 PolarHBondContact OD1-NH2 3.46Å; D376-R614 IonicContact OD2-CZ 3.6Å; D376-R614 IonicContact OD2-NH1 3.19Å; D376-R614 PolarHBondContact OD2-NH1 2.73Å; D376-R614 IonicContact OD2-NH2 2.87Å; D376-R614 PolarHBondContact OD2-NH2 3.3Å
377	F	91.1	Very high	90	Very high	19 Å²	19	48.3 Å²	48.3	8%	0.083	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-52.3	169.7	173.8	-95.8	0	0	0	111.2	D340 R342 I344 T358 D373 D374 I375 L379 R380 E381	D340-F377 VanDerWaalsContact OD2-CZ 3.26Å; D340-F377 WeakPolarHBondContact OD2-CZ 3.5Å; R342-F377 VanDerWaalsContact NH2-CE1 3.27Å; I344-F377 HydrophobicContact CD1-CE1 4.01Å; T358-F377 HydrophobicContact CG2-CD1 3.85Å; T358-F377 HydrophobicContact CG2-CE1 4.42Å; D373-F377 VanDerWaalsContact O-CB 3.31Å; D373-F377 WeakPolarHBondContact O-CB 3.48Å; D373-F377 PolarHBondContact O-N 3.11Å; D374-F377 WeakPolarHBondContact O-CB 3.39Å; D374-F377 PolarHBondContact O-N 2.98Å; I375-F377 VanDerWaalsContact C-N 3.28Å; I375-F377 PolarHBondContact O-N 3.41Å; F377-L379 VanDerWaalsContact C-N 3.34Å; F377-L379 PolarHBondContact O-N 2.92Å; F377-R380 WeakPolarHBondContact O-CB 3.5Å; F377-R380 PolarHBondContact O-N 2.86Å; F377-R380 VanDerWaalsContact O-N 3.13Å; F377-E381 HydrophobicContact CE1-CG 4.06Å; F377-E381 HydrophobicContact CE2-CG 4.09Å; F377-E381 HydrophobicContact CZ-CG 3.81Å; F377-E381 PolarHBondContact O-N 3.34Å
378	I	92.8	Very high	89.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-45.4	-179.6	-62.2	162.5	0	0	0	110.5	V318 I320 A355 T358 D374 I375 R380 E381 V382	V318-I378 HydrophobicContact CG1-CD1 4.24Å; I320-I378 HydrophobicContact CD1-CB 4.12Å; I320-I378 HydrophobicContact CD1-CG2 3.56Å; I320-I378 HydrophobicContact CG1-CG2 3.82Å; I320-I378 HydrophobicContact CG2-CD1 4.19Å; A355-I378 HydrophobicContact CB-CG2 3.75Å; T358-I378 HydrophobicContact CG2-CD1 4.19Å; T358-I378 HydrophobicContact CG2-CG1 4.08Å; D374-I378 WeakPolarHBondContact O-CG1 3.21Å; D374-I378 PolarHBondContact O-N 3.04Å; I375-I378 PolarHBondContact O-N 3.45Å; I378-R380 VanDerWaalsContact C-N 3.3Å; I378-R380 PolarHBondContact O-N 3.08Å; I378-E381 PolarHBondContact O-N 3.02Å; I378-V382 HydrophobicContact CG2-CG2 4.11Å; I378-V382 WeakPolarHBondContact O-CG2 3.44Å; I378-V382 PolarHBondContact O-N 2.94Å
379	L	91.4	Very high	89.1	Confident	4 Å²	4	53.5 Å²	53.5	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-33.9	177.7	-69.8	169.5	0	0	0	113.3	I320 M322 I375 F377 R383 V392 R394 V397	I320-L379 HydrophobicContact CD1-CD2 3.8Å; I320-L379 HydrophobicContact CD1-CG 4.08Å; M322-L379 HydrophobicContact SD-CD2 4.15Å; I375-L379 HydrophobicContact CG2-CD1 3.92Å; I375-L379 HydrophobicContact CG2-CG 4.48Å; I375-L379 WeakPolarHBondContact O-CG 3.23Å; I375-L379 PolarHBondContact O-N 3.1Å; F377-L379 VanDerWaalsContact C-N 3.34Å; F377-L379 PolarHBondContact O-N 2.92Å; L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.43Å; L379-R383 PolarHBondContact O-NE 3.13Å; L379-V392 HydrophobicContact CD2-CG1 3.69Å; L379-R394 HydrophobicContact CD1-CB 4.19Å; L379-V397 HydrophobicContact CD1-CG2 4.02Å; L379-V397 HydrophobicContact CD2-CG2 3.84Å; L379-V397 HydrophobicContact CG-CG2 4.27Å
380	R	89.8	Confident	88.8	Confident	124 Å²	124	51.1 Å²	51.1	47%	0.468	25%	0.246	S	C	.	.	H	α-helix	trans	-66.4	-44.7	173.3	-81	-178	-63.6	150.4	-1.9	111.7	D376 F377 I378 R383 N384	D376-R380 WeakPolarHBondContact O-CB 3.2Å; D376-R380 VanDerWaalsContact O-CG 3.28Å; D376-R380 WeakPolarHBondContact O-CG 3.49Å; D376-R380 PolarHBondContact O-N 2.93Å; D376-R380 VanDerWaalsContact O-N 3.08Å; D376-R380 PolarHBondContact O-NE 3.21Å; F377-R380 WeakPolarHBondContact O-CB 3.5Å; F377-R380 PolarHBondContact O-N 2.86Å; F377-R380 VanDerWaalsContact O-N 3.13Å; I378-R380 VanDerWaalsContact C-N 3.3Å; I378-R380 PolarHBondContact O-N 3.08Å; R380-R383 PolarHBondContact O-N 3.34Å; R380-N384 PolarHBondContact O-N 3.43Å; R380-N384 PolarHBondContact O-ND2 3.14Å
381	E	90.3	Very high	88.4	Confident	6 Å²	6	56.9 Å²	56.9	3%	0.028	27%	0.273	C	S	.	.	H	α-helix	trans	-67.1	-38.3	178.7	-61.5	-57.3	126	0	0	111.4	T338 S339 I344 F377 I378 R383 N384	T338-E381 VanDerWaalsContact CA-OE2 3.28Å; T338-E381 WeakPolarHBondContact CA-OE2 3.43Å; T338-E381 VanDerWaalsContact CB-OE2 3.22Å; T338-E381 WeakPolarHBondContact CB-OE2 3.47Å; T338-E381 HydrophobicContact CG2-CB 4.48Å; T338-E381 HydrophobicContact CG2-CG 4.1Å; S339-E381 VanDerWaalsContact CB-OE1 3.29Å; S339-E381 WeakPolarHBondContact CB-OE1 3.16Å; S339-E381 PolarHBondContact N-OE2 3.31Å; S339-E381 PolarHBondContact OG-OE1 3.11Å; I344-E381 HydrophobicContact CD1-CB 3.48Å; I344-E381 VanDerWaalsContact CD1-CB 3.48Å; I344-E381 HydrophobicContact CD1-CG 3.64Å; F377-E381 HydrophobicContact CE1-CG 4.06Å; F377-E381 HydrophobicContact CE2-CG 4.09Å; F377-E381 HydrophobicContact CZ-CG 3.81Å; F377-E381 PolarHBondContact O-N 3.34Å; I378-E381 PolarHBondContact O-N 3.02Å; E381-R383 VanDerWaalsContact C-N 3.33Å; E381-R383 PolarHBondContact O-N 2.86Å; E381-N384 PolarHBondContact O-N 2.74Å
382	V	89.3	Confident	88.3	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55	-47.6	173.3	174.2	0	0	0	0	111	M322 F346 A355 I378 N384 Y385 L386 V392	M322-V382 HydrophobicContact CE-CG1 4.06Å; M322-V382 HydrophobicContact CE-CG2 4.15Å; M322-V382 HydrophobicContact SD-CG1 4.45Å; M322-V382 HydrophobicContact SD-CG2 4.5Å; F346-V382 HydrophobicContact CD1-CG2 4.25Å; F346-V382 HydrophobicContact CE1-CB 3.79Å; F346-V382 HydrophobicContact CE1-CG1 3.85Å; F346-V382 HydrophobicContact CE1-CG2 3.42Å; F346-V382 VanDerWaalsContact CE1-CG2 3.42Å; F346-V382 HydrophobicContact CZ-CB 4.43Å; F346-V382 HydrophobicContact CZ-CG2 4.13Å; A355-V382 HydrophobicContact CB-CG2 4.11Å; I378-V382 HydrophobicContact CG2-CG2 4.11Å; I378-V382 WeakPolarHBondContact O-CG2 3.44Å; I378-V382 PolarHBondContact O-N 2.94Å; V382-N384 PolarHBondContact O-N 3.17Å; V382-Y385 PolarHBondContact O-N 3.15Å; V382-L386 HydrophobicContact CG1-CD1 3.85Å; V382-L386 HydrophobicContact CG1-CG 4.42Å; V382-L386 PolarHBondContact O-N 2.97Å; V382-V392 HydrophobicContact CB-CG1 4.37Å; V382-V392 HydrophobicContact CG1-CG1 3.89Å; V382-V392 HydrophobicContact CG1-CG2 3.81Å
383	R	89.2	Confident	88.2	Confident	128 Å²	128	52.8 Å²	52.8	48%	0.483	26%	0.257	S	S	.	.	H	α-helix	trans	-58.7	-31.9	-180	-78.4	-177.7	-75.8	-173.2	-4.5	114.2	L379 R380 E381 Y385 V392	L379-R383 WeakPolarHBondContact O-CG 3.47Å; L379-R383 PolarHBondContact O-N 3.43Å; L379-R383 PolarHBondContact O-NE 3.13Å; R380-R383 PolarHBondContact O-N 3.34Å; E381-R383 VanDerWaalsContact C-N 3.33Å; E381-R383 PolarHBondContact O-N 2.86Å; R383-Y385 PolarHBondContact O-N 2.77Å; R383-V392 HydrophobicContact CG-CB 3.48Å; R383-V392 VanDerWaalsContact CG-CB 3.48Å; R383-V392 HydrophobicContact CG-CG1 4.29Å; R383-V392 HydrophobicContact CG-CG2 3.61Å
384	N	85.8	Confident	87.9	Confident	99 Å²	99	48.5 Å²	48.5	53%	0.529	23%	0.231	S	C	.	.	H	α-helix	trans	-69.9	-23.1	-177.1	-66.6	-27	0	0	0	112.8	R380 E381 V382	R380-N384 PolarHBondContact O-N 3.43Å; R380-N384 PolarHBondContact O-ND2 3.14Å; E381-N384 PolarHBondContact O-N 2.74Å; V382-N384 PolarHBondContact O-N 3.17Å
385	Y	81.8	Confident	87.5	Confident	34 Å²	34	49.2 Å²	49.2	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-98.8	-22.2	-176.5	-83.3	-86.2	0	0	0	114.2	P166 Y168 N211 L333 D335 V382 R383	P166-Y385 HydrophobicContact CG-CD1 4.26Å; P166-Y385 HydrophobicContact CG-CE1 4.18Å; Y168-Y385 HydrophobicContact CE2-CD1 4.29Å; Y168-Y385 HydrophobicContact CE2-CE1 4.01Å; N211-Y385 WeakPolarHBondContact CB-O 3.49Å; N211-Y385 PolarHBondContact N-O 3.22Å; L333-Y385 HydrophobicContact CD2-CD1 4.38Å; D335-Y385 HydrophobicContact CB-CD2 4.27Å; D335-Y385 HydrophobicContact CB-CE1 4.38Å; D335-Y385 HydrophobicContact CB-CE2 3.69Å; D335-Y385 VanDerWaalsContact OD1-CZ 3.24Å; D335-Y385 PolarHBondContact OD1-OH 3.32Å; D335-Y385 WeakPolarHBondContact OD2-CE2 3.16Å; V382-Y385 PolarHBondContact O-N 3.15Å; R383-Y385 PolarHBondContact O-N 2.77Å
386	L	87.4	Confident	87.3	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-84.3	156	176.4	-57.1	-178.5	0	0	0	110.6	F207 M209 Y326 V382 V390 V392	F207-L386 HydrophobicContact CE1-CD2 4.27Å; F207-L386 HydrophobicContact CE2-CD2 4.37Å; F207-L386 HydrophobicContact CZ-CD2 3.65Å; M209-L386 HydrophobicContact CB-CD2 4.24Å; M209-L386 CarbonylContact O-C 3.5Å; M209-L386 VanDerWaalsContact O-CA 3.25Å; M209-L386 WeakPolarHBondContact O-CA 3.38Å; Y326-L386 HydrophobicContact CD1-CD1 3.58Å; Y326-L386 HydrophobicContact CE1-CD1 3.7Å; V382-L386 HydrophobicContact CG1-CD1 3.85Å; V382-L386 HydrophobicContact CG1-CG 4.42Å; V382-L386 PolarHBondContact O-N 2.97Å; L386-V390 HydrophobicContact CB-CB 4.21Å; L386-V390 HydrophobicContact CB-CG1 4.42Å; L386-V390 HydrophobicContact CD1-CG1 3.92Å; L386-V392 HydrophobicContact CD1-CG2 3.55Å
387	S	86.5	Confident	87.4	Confident	8 Å²	8	48.5 Å²	48.5	6%	0.056	24%	0.24	C	C	.	.			trans	-64.3	144.6	175.3	-170.7	0	0	0	0	109.8	M209 D389 V390	M209-S387 PolarHBondContact O-N 2.88Å; S387-D389 WeakPolarHBondContact CB-OD1 3.4Å; S387-D389 PolarHBondContact O-N 2.81Å; S387-D389 PolarHBondContact OG-OD1 3.32Å; S387-V390 WeakPolarHBondContact O-CB 3.18Å; S387-V390 PolarHBondContact O-N 2.9Å
388	P	83.3	Confident	87.5	Confident	108 Å²	108	48.9 Å²	48.9	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.5	-174.8	-26.4	35.3	0	0	0	115.9	V390	P388-V390 VanDerWaalsContact C-N 3.26Å
389	D	84.6	Confident	87.7	Confident	129 Å²	129	49 Å²	49	69%	0.69	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-9.5	173.5	55.5	-47.4	0	0	0	113.4	S387	S387-D389 WeakPolarHBondContact CB-OD1 3.4Å; S387-D389 PolarHBondContact O-N 2.81Å; S387-D389 PolarHBondContact OG-OD1 3.32Å
390	V	86.6	Confident	87.9	Confident	27 Å²	27	49 Å²	49	16%	0.164	24%	0.243	C	C	.	.	S	Bend	trans	-97.9	103.5	175.4	-175.3	0	0	0	0	109.1	M209 Y326 L386 S387 P388 V392	M209-V390 HydrophobicContact CB-CG2 3.87Å; M209-V390 HydrophobicContact CG-CG2 3.59Å; M209-V390 HydrophobicContact SD-CG1 3.82Å; M209-V390 HydrophobicContact SD-CG2 3.85Å; Y326-V390 HydrophobicContact CE1-CG1 4.02Å; L386-V390 HydrophobicContact CB-CB 4.21Å; L386-V390 HydrophobicContact CB-CG1 4.42Å; L386-V390 HydrophobicContact CD1-CG1 3.92Å; S387-V390 WeakPolarHBondContact O-CB 3.18Å; S387-V390 PolarHBondContact O-N 2.9Å; P388-V390 VanDerWaalsContact C-N 3.26Å; V390-V392 PolarHBondContact O-N 3.38Å
391	E	86.3	Confident	88.2	Confident	124 Å²	124	43 Å²	43	58%	0.579	22%	0.221	S	C	*	.			trans	-78	113.7	175.9	-68.1	-169.9	169.8	0	0	111.3	Y326 R393	Y326-E391 PolarHBondContact OH-O 3.28Å; Y326-E391 VanDerWaalsContact OH-O 3.09Å; E391-R393 HydrophobicContact CB-CG 4.43Å; E391-R393 IonicContact OE2-CZ 3.64Å; E391-R393 IonicContact OE2-NE 2.72Å; E391-R393 PolarHBondContact OE2-NE 3.11Å; E391-R393 VanDerWaalsContact OE2-NE 3.09Å; E391-R393 IonicContact OE2-NH2 3.58Å; E391-R393 PolarHBondContact OE2-NH2 3.2Å
392	V	87.7	Confident	88.5	Confident	13 Å²	13	43 Å²	43	8%	0.079	22%	0.221	C	C	.	.			trans	-90.3	116.6	171.5	-174.6	0	0	0	0	109.3	Y326 L379 V382 R383 L386 V390	Y326-V392 HydrophobicContact CE1-CG2 4Å; L379-V392 HydrophobicContact CD2-CG1 3.69Å; V382-V392 HydrophobicContact CB-CG1 4.37Å; V382-V392 HydrophobicContact CG1-CG1 3.89Å; V382-V392 HydrophobicContact CG1-CG2 3.81Å; R383-V392 HydrophobicContact CG-CB 3.48Å; R383-V392 VanDerWaalsContact CG-CB 3.48Å; R383-V392 HydrophobicContact CG-CG1 4.29Å; R383-V392 HydrophobicContact CG-CG2 3.61Å; L386-V392 HydrophobicContact CD1-CG2 3.55Å; V390-V392 PolarHBondContact O-N 3.38Å
393	R	84.3	Confident	88.8	Confident	89 Å²	89	43.1 Å²	43.1	34%	0.336	22%	0.223	S	C	.	.			trans	-112.2	153.1	-174.1	-57.1	173.6	-178.3	168	1.3	110.5	E391 G395 D396 K678	E391-R393 HydrophobicContact CB-CG 4.43Å; E391-R393 IonicContact OE2-CZ 3.64Å; E391-R393 IonicContact OE2-NE 2.72Å; E391-R393 PolarHBondContact OE2-NE 3.11Å; E391-R393 VanDerWaalsContact OE2-NE 3.09Å; E391-R393 IonicContact OE2-NH2 3.58Å; E391-R393 PolarHBondContact OE2-NH2 3.2Å; R393-G395 PolarHBondContact O-N 2.98Å; R393-D396 WeakPolarHBondContact CB-OD2 3.42Å; R393-D396 PolarHBondContact N-OD2 3.03Å; R393-D396 WeakPolarHBondContact O-CB 3.21Å; R393-D396 PolarHBondContact O-N 2.8Å; R393-D396 VanDerWaalsContact O-N 3.14Å; R393-K678 VanDerWaalsContact NH1-CB 3.31Å; R393-K678 PolarHBondContact NH1-O 3.33Å
394	R	83.5	Confident	89.1	Confident	39 Å²	39	37.2 Å²	37.2	15%	0.147	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63.1	-29.2	172	179.2	60.4	-173.9	82.6	-9	112	E372 L379 D396 V397	E372-R394 IonicContact OE1-CZ 2.71Å; E372-R394 IonicContact OE1-NE 3.65Å; E372-R394 IonicContact OE1-NH2 3.52Å; E372-R394 PolarHBondContact OE1-NH2 3.29Å; E372-R394 IonicContact OE2-CZ 3.11Å; E372-R394 IonicContact OE2-NE 2.61Å; E372-R394 PolarHBondContact OE2-NE 3.36Å; E372-R394 IonicContact OE2-NH2 3.88Å; L379-R394 HydrophobicContact CD1-CB 4.19Å; R394-D396 PolarHBondContact O-N 3.5Å; R394-V397 PolarHBondContact O-N 3.33Å
395	G	83.1	Confident	89.5	Confident	34 Å²	34	35.4 Å²	35.4	35%	0.351	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.2	-21.6	175.4	0	0	0	0	0	113.9	R393 V397	R393-G395 PolarHBondContact O-N 2.98Å; G395-V397 PolarHBondContact O-N 3.5Å
396	D	87.9	Confident	89.8	Confident	23 Å²	23	35 Å²	35	12%	0.123	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-74.9	-10	177	-56.8	-33.4	0	0	0	112.6	M322 P323 Y326 R393 R394 L398	M322-D396 WeakPolarHBondContact CA-O 3.45Å; P323-D396 WeakPolarHBondContact CD-O 3Å; Y326-D396 HydrophobicContact CE2-CB 3.89Å; Y326-D396 PolarHBondContact OH-OD2 2.85Å; R393-D396 WeakPolarHBondContact CB-OD2 3.42Å; R393-D396 PolarHBondContact N-OD2 3.03Å; R393-D396 WeakPolarHBondContact O-CB 3.21Å; R393-D396 PolarHBondContact O-N 2.8Å; R393-D396 VanDerWaalsContact O-N 3.14Å; R394-D396 PolarHBondContact O-N 3.5Å; D396-L398 PolarHBondContact O-N 2.78Å; D396-L398 VanDerWaalsContact O-N 3.16Å
397	V	92.3	Very high	89.9	Confident	6 Å²	6	37.5 Å²	37.5	4%	0.036	20%	0.201	C	C	.	.			trans	-78.9	104.1	177	179.9	0	0	0	0	109.4	I320 V321 I375 L379 R394 G395 A399 A400	I320-V397 HydrophobicContact CB-CG1 4Å; I320-V397 HydrophobicContact CB-CG2 4.45Å; I320-V397 HydrophobicContact CD1-CG2 4.11Å; I320-V397 HydrophobicContact CG2-CG1 4.12Å; V321-V397 CarbonylContact O-C 3.22Å; V321-V397 WeakPolarHBondContact O-CA 3.29Å; I375-V397 HydrophobicContact CG2-CG2 4.28Å; L379-V397 HydrophobicContact CD1-CG2 4.02Å; L379-V397 HydrophobicContact CD2-CG2 3.84Å; L379-V397 HydrophobicContact CG-CG2 4.27Å; R394-V397 PolarHBondContact O-N 3.33Å; G395-V397 PolarHBondContact O-N 3.5Å; V397-A399 WeakPolarHBondContact CG1-O 3.24Å; V397-A400 HydrophobicContact CG1-CB 4.33Å
398	L	93.8	Very high	89.8	Confident	27 Å²	27	37.1 Å²	37.1	14%	0.141	20%	0.199	C	C	.	.			trans	-78	-32.4	-178.8	-57.6	179.4	0	0	0	112.4	V321 P323 M352 D396 L564 N565 V566	V321-L398 PolarHBondContact O-N 3.24Å; P323-L398 HydrophobicContact CG-CD1 4.36Å; M352-L398 HydrophobicContact CE-CD1 4.23Å; M352-L398 HydrophobicContact SD-CD1 3.75Å; D396-L398 PolarHBondContact O-N 2.78Å; D396-L398 VanDerWaalsContact O-N 3.16Å; L398-L564 WeakPolarHBondContact CB-O 3.21Å; L398-N565 HydrophobicContact CB-CB 4.28Å; L398-V566 WeakPolarHBondContact O-CG2 2.93Å; L398-V566 PolarHBondContact O-N 2.96Å
399	A	96.2	Very high	89.7	Confident	3 Å²	3	32.7 Å²	32.7	3%	0.025	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	157.1	175.4	0	0	0	0	0	110.3	I320 V321 V397 F563 V566	I320-A399 CarbonylContact C-O 3.52Å; I320-A399 WeakPolarHBondContact CA-O 3.31Å; V321-A399 HydrophobicContact CB-CB 4.28Å; V321-A399 HydrophobicContact CG2-CB 4.38Å; V321-A399 PolarHBondContact N-O 3.38Å; V397-A399 WeakPolarHBondContact CG1-O 3.24Å; A399-F563 WeakPolarHBondContact CB-O 3.1Å; A399-V566 HydrophobicContact CB-CG2 3.81Å
400	A	96.4	Very high	89	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142	170.8	0	0	0	0	0	109.7	H319 I320 P370 I375 V397 M606 G607	H319-A400 CarbonylContact O-C 3.57Å; H319-A400 VanDerWaalsContact O-CA 3.25Å; H319-A400 WeakPolarHBondContact O-CA 3.37Å; I320-A400 HydrophobicContact CG2-CB 4.04Å; P370-A400 HydrophobicContact CB-CB 4.2Å; P370-A400 HydrophobicContact CG-CB 4.19Å; I375-A400 HydrophobicContact CD1-CB 3.78Å; I375-A400 HydrophobicContact CG1-CB 4.13Å; V397-A400 HydrophobicContact CG1-CB 4.33Å; A400-M606 PolarHBondContact N-O 2.68Å; A400-M606 CarbonylContact O-C 3.59Å; A400-M606 WeakPolarHBondContact O-CA 3.48Å; A400-G607 PolarHBondContact O-N 3.26Å
401	W	96.6	Very high	88	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.9	175.7	72.8	89.5	0	0	0	111	R113 K116 V318 H319 V321 I354 F563 M606	R113-W401 PolarHBondContact O-NE1 2.72Å; K116-W401 HydrophobicContact CD-CZ2 4.25Å; V318-W401 VanDerWaalsContact CA-O 3.29Å; V318-W401 WeakPolarHBondContact CA-O 3.06Å; H319-W401 HydrophobicContact CB-CD2 3.97Å; H319-W401 HydrophobicContact CB-CE3 4.07Å; H319-W401 HydrophobicContact CB-CH2 3.43Å; H319-W401 VanDerWaalsContact CB-CH2 3.43Å; H319-W401 HydrophobicContact CB-CZ2 3.3Å; H319-W401 HydrophobicContact CB-CZ3 3.79Å; H319-W401 AromaticContact CG-CE2 3.89Å; H319-W401 AromaticContact CG-CZ2 3.55Å; H319-W401 PolarHBondContact N-O 3.12Å; H319-W401 AromaticContact ND1-CE2 3.95Å; H319-W401 AromaticContact ND1-CZ2 3.96Å; H319-W401 AromaticContact ND1-NE1 3.71Å; H319-W401 PolarHBondContact O-N 2.8Å; V321-W401 HydrophobicContact CG2-CE3 4.42Å; V321-W401 HydrophobicContact CG2-CH2 4.36Å; V321-W401 HydrophobicContact CG2-CZ3 3.55Å; I354-W401 HydrophobicContact CD1-CH2 3.95Å; I354-W401 HydrophobicContact CG1-CH2 3.98Å; I354-W401 HydrophobicContact CG2-CH2 3.78Å; I354-W401 HydrophobicContact CG2-CZ2 4.45Å; W401-F563 HydrophobicContact CB-CD1 4.28Å; W401-F563 HydrophobicContact CB-CE1 3.93Å; W401-F563 AromaticContact CD1-CE1 3.92Å; W401-F563 AromaticContact CD2-CD1 3.66Å; W401-F563 HydrophobicContact CD2-CD1 3.66Å; W401-F563 AromaticContact CD2-CE1 3.83Å; W401-F563 HydrophobicContact CD2-CE1 3.83Å; W401-F563 AromaticContact CE3-CD1 3.83Å; W401-F563 HydrophobicContact CE3-CD1 3.83Å; W401-F563 HydrophobicContact CE3-CE1 4.44Å; W401-F563 AromaticContact CG-CD1 3.89Å; W401-F563 HydrophobicContact CG-CD1 3.89Å; W401-F563 AromaticContact CG-CE1 3.59Å; W401-F563 HydrophobicContact CG-CE1 3.59Å; W401-F563 HydrophobicContact CZ3-CD1 4.46Å; W401-M606 HydrophobicContact CB-CE 4.05Å
402	S	96.2	Very high	86.9	Confident	4 Å²	4	30.5 Å²	30.5	3%	0.028	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.8	170.3	-177.1	0	0	0	0	109.8	R113 G317 P368	R113-S402 VanDerWaalsContact CD-O 3.27Å; R113-S402 WeakPolarHBondContact CD-O 3.45Å; R113-S402 PolarHBondContact NH1-O 3.21Å; G317-S402 CarbonylContact O-C 3.43Å; G317-S402 WeakPolarHBondContact O-CA 3.45Å; P368-S402 VanDerWaalsContact CG-O 3.26Å; P368-S402 WeakPolarHBondContact CG-O 3.49Å
403	G	95.6	Very high	85.6	Confident	3 Å²	3	31.8 Å²	31.8	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.3	171.4	0	0	0	0	0	111.5	A316 G317	A316-G403 CarbonylContact C-O 3.5Å; A316-G403 WeakPolarHBondContact CA-O 3.28Å; G317-G403 PolarHBondContact N-O 3.32Å; G317-G403 PolarHBondContact O-N 3.15Å
404	I	95.4	Very high	83.9	Confident	5 Å²	5	38.1 Å²	38.1	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118	178.1	-55.4	179.3	0	0	0	109.5	T110 P295 P314 S315 T362 T365 P368 P406	T110-I404 WeakPolarHBondContact CB-O 3.2Å; T110-I404 WeakPolarHBondContact CG2-O 3.36Å; T110-I404 PolarHBondContact OG1-O 3.48Å; P295-I404 HydrophobicContact CB-CB 4.33Å; P295-I404 HydrophobicContact CB-CG2 3.87Å; P295-I404 HydrophobicContact CG-CB 4Å; P295-I404 HydrophobicContact CG-CG2 3.93Å; P295-I404 WeakPolarHBondContact CG-O 3.27Å; P314-I404 HydrophobicContact CB-CG2 3.61Å; S315-I404 CarbonylContact O-C 3.42Å; S315-I404 WeakPolarHBondContact O-CA 3.48Å; T362-I404 HydrophobicContact CG2-CD1 4.4Å; T362-I404 HydrophobicContact CG2-CG1 4.21Å; T362-I404 HydrophobicContact CG2-CG2 4.17Å; T365-I404 HydrophobicContact CG2-CD1 3.95Å; T365-I404 WeakPolarHBondContact O-CD1 3.5Å; P368-I404 HydrophobicContact CB-CD1 4.28Å; P368-I404 HydrophobicContact CB-CG1 4.04Å; P368-I404 HydrophobicContact CG-CG1 4.49Å; I404-P406 WeakPolarHBondContact O-CD 3.26Å
405	R	93.2	Very high	82.3	Confident	61 Å²	61	40.5 Å²	40.5	23%	0.23	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.2	173	-60.7	179.6	-176.7	99	11.6	109	S315 A316 G317 T357 T358 D359 L407	S315-R405 PolarHBondContact N-O 2.92Å; S315-R405 PolarHBondContact O-N 3.45Å; A316-R405 PolarHBondContact O-NH1 2.86Å; G317-R405 VanDerWaalsContact CA-NH1 3.34Å; T357-R405 PolarHBondContact OG1-NH2 2.94Å; T358-R405 PolarHBondContact O-NH1 3.32Å; T358-R405 PolarHBondContact O-NH2 3.28Å; T358-R405 VanDerWaalsContact O-NH2 3.15Å; D359-R405 IonicContact OD1-NH1 3.35Å; D359-R405 PolarHBondContact OD1-NH1 3.15Å; D359-R405 VanDerWaalsContact OD1-NH1 3.08Å; R405-L407 HydrophobicContact CB-CD2 4.27Å; R405-L407 HydrophobicContact CB-CG 4.28Å; R405-L407 PolarHBondContact O-N 2.88Å
406	P	89.9	Confident	80.3	Confident	24 Å²	24	43.2 Å²	43.2	16%	0.156	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	69.1	176.4	34.1	-34.3	0	0	0	109.9	P295 I404 G437	P295-P406 HydrophobicContact CG-CB 4.1Å; I404-P406 WeakPolarHBondContact O-CD 3.26Å; P406-G437 VanDerWaalsContact O-CA 3.31Å; P406-G437 WeakPolarHBondContact O-CA 3.26Å
407	L	88.8	Confident	77.7	Confident	58 Å²	58	50.5 Å²	50.5	30%	0.304	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	147.4	173.2	-49.2	175.2	0	0	0	108.4	C312 Q313 R405 I419	C312-L407 CarbonylContact C-O 3.24Å; C312-L407 WeakPolarHBondContact CA-O 3.24Å; Q313-L407 HydrophobicContact CB-CB 4.34Å; Q313-L407 PolarHBondContact N-O 2.99Å; Q313-L407 VanDerWaalsContact O-CB 3.29Å; Q313-L407 WeakPolarHBondContact O-CB 3.41Å; R405-L407 HydrophobicContact CB-CD2 4.27Å; R405-L407 HydrophobicContact CB-CG 4.28Å; R405-L407 PolarHBondContact O-N 2.88Å; L407-I419 HydrophobicContact CB-CG2 3.95Å; L407-I419 HydrophobicContact CD1-CD1 4.34Å
408	V	84.8	Confident	75.8	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	144.1	-174.4	-64.7	0	0	0	0	112	I311 I419 C420 V424 A436	I311-V408 CarbonylContact O-C 3.51Å; I311-V408 VanDerWaalsContact O-CA 3.28Å; I311-V408 WeakPolarHBondContact O-CA 3.37Å; V408-I419 CarbonylContact O-C 3.57Å; V408-C420 HydrophobicContact CG2-CB 4.09Å; V408-C420 WeakPolarHBondContact O-CB 3.26Å; V408-C420 PolarHBondContact O-N 2.71Å; V408-V424 HydrophobicContact CG2-CG2 4.06Å; V408-A436 HydrophobicContact CG1-CB 3.68Å
409	T	80.7	Confident	74	Confident	15 Å²	15	55.3 Å²	55.3	9%	0.092	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	143.1	163.9	51.6	0	0	0	0	109.2	I311 Q313 P411 T416	I311-T409 PolarHBondContact O-N 3.36Å; I311-T409 PolarHBondContact O-OG1 2.86Å; Q313-T409 HydrophobicContact CG-CG2 4.02Å; T409-P411 VanDerWaalsContact O-CD 3.31Å; T409-P411 WeakPolarHBondContact O-CD 3.44Å; T409-T416 WeakPolarHBondContact CG2-O 3.5Å
410	D	70.9	Confident	72.3	Confident	48 Å²	48	56.7 Å²	56.7	26%	0.257	30%	0.3	S	S	.	.			trans	-79	115.9	176.5	-177.2	-2.8	0	0	0	109.8	N412 S413 C420 V424	D410-N412 PolarHBondContact O-N 3.37Å; D410-N412 WeakPolarHBondContact OD1-CB 3.49Å; D410-N412 PolarHBondContact OD1-N 3.15Å; D410-S413 PolarHBondContact O-N 3.15Å; D410-C420 HydrophobicContact CB-CB 4.45Å; D410-V424 HydrophobicContact CB-CG2 4.42Å
411	P	63.7	Low	70.8	Confident	54 Å²	54	62.7 Å²	62.7	35%	0.351	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	179	29.1	-35.7	0	0	0	113.4	I311 T409	I311-P411 HydrophobicContact CG2-CB 4.12Å; I311-P411 HydrophobicContact CG2-CG 4.29Å; T409-P411 VanDerWaalsContact O-CD 3.31Å; T409-P411 WeakPolarHBondContact O-CD 3.44Å
412	N	63.3	Low	69.8	Low	132 Å²	132	65.4 Å²	65.4	71%	0.706	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6	-178.8	-62.4	-43	0	0	0	113.2	D410	D410-N412 PolarHBondContact O-N 3.37Å; D410-N412 WeakPolarHBondContact OD1-CB 3.49Å; D410-N412 PolarHBondContact OD1-N 3.15Å
413	S	61.4	Low	69.4	Low	40 Å²	40	66.2 Å²	66.2	28%	0.28	34%	0.34	S	S	.	.	S	Bend	trans	-78.9	144.4	178.2	179.1	0	0	0	0	111.5	D410 D415	D410-S413 PolarHBondContact O-N 3.15Å; S413-D415 PolarHBondContact O-N 3.22Å; S413-D415 PolarHBondContact OG-N 3.36Å; S413-D415 VanDerWaalsContact OG-N 3.15Å
414	K	47.8	Very low	69.2	Low	221 Å²	221	66.6 Å²	66.6	96%	0.961	34%	0.342	S	S	*	.	S	Bend	trans	-67.6	-19.3	171.4	-66.4	-175.4	-179.5	-179.7	0	112.6
415	D	49.5	Very low	69.2	Low	90 Å²	90	68.3 Å²	68.3	48%	0.481	35%	0.353	S	S	.	.			trans	-111.4	82.7	176.3	-175.9	3.7	0	0	0	110	S413 Q417 S418	S413-D415 PolarHBondContact O-N 3.22Å; S413-D415 PolarHBondContact OG-N 3.36Å; S413-D415 VanDerWaalsContact OG-N 3.15Å; D415-Q417 PolarHBondContact O-N 3.36Å; D415-Q417 PolarHBondContact OD1-N 3.16Å; D415-S418 PolarHBondContact O-N 2.82Å; D415-S418 PolarHBondContact O-OG 2.94Å
416	T	42.1	Very low	69.2	Low	91 Å²	91	66.4 Å²	66.4	56%	0.558	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-5.3	-177.1	53.5	0	0	0	0	113.9	T409	T409-T416 WeakPolarHBondContact CG2-O 3.5Å
417	Q	32.3	Very low	69.5	Low	175 Å²	175	68.4 Å²	68.4	82%	0.818	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-16.6	174.3	-64.3	-144.1	-11.2	0	0	113.3	D415 I419	D415-Q417 PolarHBondContact O-N 3.36Å; D415-Q417 PolarHBondContact OD1-N 3.16Å; Q417-I419 PolarHBondContact O-N 3.27Å
418	S	52.3	Low	69.7	Low	50 Å²	50	67.4 Å²	67.4	35%	0.35	36%	0.355	S	S	.	.	S	Bend	trans	-78	120.1	177.7	69.1	0	0	0	0	111	D415 C420	D415-S418 PolarHBondContact O-N 2.82Å; D415-S418 PolarHBondContact O-OG 2.94Å; S418-C420 PolarHBondContact O-N 2.71Å
419	I	58	Low	70	Confident	84 Å²	84	73.9 Å²	73.9	43%	0.431	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	122.8	173.6	-63.4	172.9	0	0	0	108.2	L407 V408 Q417 R421	L407-I419 HydrophobicContact CB-CG2 3.95Å; L407-I419 HydrophobicContact CD1-CD1 4.34Å; V408-I419 CarbonylContact O-C 3.57Å; Q417-I419 PolarHBondContact O-N 3.27Å; I419-R421 PolarHBondContact O-N 3.11Å
420	C	59.7	Low	70.5	Confident	33 Å²	33	74 Å²	74	22%	0.223	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	126.5	171.7	-177.7	0	0	0	0	108.7	V408 D410 S418 N422 V424	V408-C420 HydrophobicContact CG2-CB 4.09Å; V408-C420 WeakPolarHBondContact O-CB 3.26Å; V408-C420 PolarHBondContact O-N 2.71Å; D410-C420 HydrophobicContact CB-CB 4.45Å; S418-C420 PolarHBondContact O-N 2.71Å; C420-N422 VanDerWaalsContact C-N 3.27Å; C420-V424 HydrophobicContact CB-CG2 4.11Å
421	R	64.6	Low	71.6	Confident	127 Å²	127	72.1 Å²	72.1	48%	0.479	38%	0.382	S	S	.	.	S	Bend	trans	-81.7	-11.6	-176.2	-63	-175.1	-179.4	174.8	11	113.1	Q136 M139 I419	Q136-R421 VanDerWaalsContact CD-NH1 3.29Å; M139-R421 HydrophobicContact CE-CB 3.88Å; I419-R421 PolarHBondContact O-N 3.11Å
422	N	75.3	Confident	73.2	Confident	58 Å²	58	69.7 Å²	69.7	31%	0.31	37%	0.366	S	S	.	.	S	Bend	trans	-110.9	-157.8	176.7	-82	-8.5	0	0	0	110.2	M139 C420 G438	M139-N422 WeakPolarHBondContact CE-OD1 3.35Å; M139-N422 WeakPolarHBondContact CG-OD1 3.42Å; M139-N422 PolarHBondContact SD-OD1 2.84Å; M139-N422 VanDerWaalsContact SD-OD1 3.41Å; C420-N422 VanDerWaalsContact C-N 3.27Å; N422-G438 PolarHBondContact O-N 3.42Å
423	H	89.2	Confident	74.8	Confident	20 Å²	20	63.4 Å²	63.4	9%	0.093	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	165.7	165.5	59.5	-73	0	0	0	111.5	I435 A436 M446 E449	H423-I435 HydrophobicContact CB-CD1 3.74Å; H423-I435 VanDerWaalsContact CD2-CD1 3.48Å; H423-I435 WeakPolarHBondContact CD2-CD1 3.49Å; H423-A436 CarbonylContact C-O 3.59Å; H423-A436 WeakPolarHBondContact CA-O 3.03Å; H423-A436 WeakPolarHBondContact CB-O 3.46Å; H423-M446 HydrophobicContact CB-CG 4.13Å; H423-M446 HydrophobicContact CB-SD 3.61Å; H423-E449 IonicContact CD2-OE2 3.66Å; H423-E449 IonicContact CE1-OE1 2.84Å; H423-E449 IonicContact CE1-OE2 3.97Å; H423-E449 IonicContact NE2-OE1 3.78Å; H423-E449 IonicContact NE2-OE2 3.08Å; H423-E449 PolarHBondContact NE2-OE2 3.37Å
424	V	91.3	Very high	76.5	Confident	12 Å²	12	61.7 Å²	61.7	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.4	174	175.9	0	0	0	0	108	V408 D410 C420 I435 A436	V408-V424 HydrophobicContact CG2-CG2 4.06Å; D410-V424 HydrophobicContact CB-CG2 4.42Å; C420-V424 HydrophobicContact CB-CG2 4.11Å; V424-I435 WeakPolarHBondContact O-CA 3.49Å; V424-A436 PolarHBondContact N-O 2.66Å; V424-A436 PolarHBondContact O-N 2.96Å
425	V	94.3	Very high	78.9	Confident	41 Å²	41	51.3 Å²	51.3	25%	0.248	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.8	166.4	-177.3	0	0	0	0	108.1	I433 T434 I435 A453	V425-I433 HydrophobicContact CG1-CG2 4.17Å; V425-T434 CarbonylContact C-O 3.57Å; V425-T434 VanDerWaalsContact CA-O 3.31Å; V425-T434 WeakPolarHBondContact CA-O 3.38Å; V425-I435 HydrophobicContact CG2-CD1 3.72Å; V425-A453 HydrophobicContact CG1-CB 3.88Å
426	S	94.4	Very high	81	Confident	21 Å²	21	47.1 Å²	47.1	15%	0.147	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152	179.1	60.6	0	0	0	0	111	I433 T434	S426-I433 CarbonylContact O-C 3.57Å; S426-I433 WeakPolarHBondContact O-CA 3.37Å; S426-T434 PolarHBondContact N-O 3.32Å; S426-T434 PolarHBondContact O-N 3.33Å
427	I	95.1	Very high	83.3	Confident	66 Å²	66	43.4 Å²	43.4	34%	0.338	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	125.6	179.3	-50.5	-175.4	0	0	0	107.9	L432 I433 F457	I427-L432 CarbonylContact C-O 3.17Å; I427-L432 WeakPolarHBondContact CA-O 3.35Å; I427-I433 HydrophobicContact CD1-CD1 4.38Å; I427-I433 HydrophobicContact CD1-CG1 4.39Å; I427-I433 HydrophobicContact CG1-CG1 4.12Å; I427-I433 HydrophobicContact CG2-CG1 4.3Å; I427-F457 HydrophobicContact CD1-CB 3.78Å; I427-F457 HydrophobicContact CD1-CD1 4.42Å; I427-F457 HydrophobicContact CD1-CD2 4.04Å; I427-F457 HydrophobicContact CD1-CG 3.83Å; I427-F457 HydrophobicContact CG2-CD1 4.04Å; I427-F457 HydrophobicContact CG2-CD2 4.16Å; I427-F457 HydrophobicContact CG2-CE1 3.87Å; I427-F457 HydrophobicContact CG2-CE2 3.96Å; I427-F457 HydrophobicContact CG2-CG 4.21Å; I427-F457 HydrophobicContact CG2-CZ 3.82Å
428	S	93.8	Very high	86	Confident	37 Å²	37	36.4 Å²	36.4	26%	0.259	21%	0.207	S	C	.	.			trans	-78.4	167	177	79.5	0	0	0	0	112.3	D304 T430 G431 L432	D304-S428 WeakPolarHBondContact OD2-CB 3.01Å; D304-S428 PolarHBondContact OD2-OG 3Å; S428-T430 PolarHBondContact O-N 3.46Å; S428-T430 PolarHBondContact OG-N 3Å; S428-T430 PolarHBondContact OG-OG1 2.66Å; S428-G431 PolarHBondContact O-N 3.1Å; S428-G431 PolarHBondContact OG-N 3.03Å; S428-L432 PolarHBondContact N-O 2.77Å; S428-L432 VanDerWaalsContact OG-CB 3.28Å; S428-L432 WeakPolarHBondContact OG-CB 3.42Å; S428-L432 PolarHBondContact OG-N 2.77Å
429	D	90.2	Very high	87.8	Confident	137 Å²	137	37.2 Å²	37.2	73%	0.733	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.5	176.7	-64	-33.3	0	0	0	113.4	G431	D429-G431 VanDerWaalsContact C-N 3.33Å
430	T	91.8	Very high	89.5	Confident	18 Å²	18	34.7 Å²	34.7	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.1	177.5	64.5	0	0	0	0	112.4	E266 Q267 L268 D304 S428	E266-T430 HydrophobicContact CB-CG2 4.43Å; Q267-T430 WeakPolarHBondContact CA-O 3.28Å; L268-T430 PolarHBondContact N-O 3.33Å; D304-T430 WeakPolarHBondContact OD1-CG2 3.44Å; D304-T430 PolarHBondContact OD1-OG1 2.9Å; D304-T430 PolarHBondContact OD2-OG1 3.01Å; S428-T430 PolarHBondContact O-N 3.46Å; S428-T430 PolarHBondContact OG-N 3Å; S428-T430 PolarHBondContact OG-OG1 2.66Å
431	G	93.4	Very high	91.2	Very high	7 Å²	7	33.4 Å²	33.4	7%	0.072	18%	0.181	C	C	.	.			trans	93.9	15	178.8	0	0	0	0	0	115.5	S428 D429 I433	S428-G431 PolarHBondContact O-N 3.1Å; S428-G431 PolarHBondContact OG-N 3.03Å; D429-G431 VanDerWaalsContact C-N 3.33Å; G431-I433 PolarHBondContact O-N 3.08Å
432	L	97.1	Very high	92.6	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	119.7	173.6	-175.4	64.6	0	0	0	109.3	L268 V289 N291 R301 D304 I427 S428	L268-L432 HydrophobicContact CD1-CB 3.51Å; L268-L432 HydrophobicContact CD1-CD1 3.96Å; L268-L432 HydrophobicContact CD1-CG 4.29Å; V289-L432 HydrophobicContact CB-CD1 4.15Å; V289-L432 HydrophobicContact CG1-CD1 3.91Å; N291-L432 HydrophobicContact CB-CD1 4.29Å; N291-L432 HydrophobicContact CB-CG 4.48Å; R301-L432 HydrophobicContact CG-CD2 4.46Å; D304-L432 HydrophobicContact CB-CD2 3.92Å; I427-L432 CarbonylContact C-O 3.17Å; I427-L432 WeakPolarHBondContact CA-O 3.35Å; S428-L432 PolarHBondContact N-O 2.77Å; S428-L432 VanDerWaalsContact OG-CB 3.28Å; S428-L432 WeakPolarHBondContact OG-CB 3.42Å; S428-L432 PolarHBondContact OG-N 2.77Å
433	I	97.8	Very high	93.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.5	174.4	-56	-173.2	0	0	0	108.2	C288 V289 I290 N291 V425 S426 I427 G431 T450 A454	C288-I433 WeakPolarHBondContact SG-CD1 3.08Å; V289-I433 PolarHBondContact O-N 2.83Å; I290-I433 CarbonylContact C-O 3.59Å; I290-I433 VanDerWaalsContact CA-O 3.31Å; I290-I433 WeakPolarHBondContact CA-O 3.48Å; I290-I433 HydrophobicContact CG1-CB 4.26Å; N291-I433 PolarHBondContact N-O 3.06Å; V425-I433 HydrophobicContact CG1-CG2 4.17Å; S426-I433 CarbonylContact O-C 3.57Å; S426-I433 WeakPolarHBondContact O-CA 3.37Å; I427-I433 HydrophobicContact CD1-CD1 4.38Å; I427-I433 HydrophobicContact CD1-CG1 4.39Å; I427-I433 HydrophobicContact CG1-CG1 4.12Å; I427-I433 HydrophobicContact CG2-CG1 4.3Å; G431-I433 PolarHBondContact O-N 3.08Å; I433-T450 HydrophobicContact CG2-CG2 4.04Å; I433-A454 HydrophobicContact CD1-CB 3.46Å; I433-A454 VanDerWaalsContact CD1-CB 3.46Å
434	T	97.6	Very high	94	Very high	4 Å²	4	25 Å²	25	3%	0.025	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.6	179.2	-64.3	0	0	0	0	110.5	N291 T297 R301 V425 S426 A436	N291-T434 HydrophobicContact CB-CG2 4.3Å; N291-T434 PolarHBondContact ND2-OG1 2.72Å; T297-T434 HydrophobicContact CG2-CG2 3.55Å; R301-T434 HydrophobicContact CG-CG2 4.36Å; V425-T434 CarbonylContact C-O 3.57Å; V425-T434 VanDerWaalsContact CA-O 3.31Å; V425-T434 WeakPolarHBondContact CA-O 3.38Å; S426-T434 PolarHBondContact N-O 3.32Å; S426-T434 PolarHBondContact O-N 3.33Å; T434-A436 HydrophobicContact CG2-CB 4.21Å
435	I	96.8	Very high	94.2	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.2	166.9	173.9	64.4	0	0	0	108.8	T83 I290 N291 A292 H423 V424 V425 M446 T450	T83-I435 HydrophobicContact CG2-CB 4.23Å; T83-I435 HydrophobicContact CG2-CG1 3.54Å; T83-I435 HydrophobicContact CG2-CG2 3.56Å; I290-I435 HydrophobicContact CG2-CG2 4.25Å; N291-I435 WeakPolarHBondContact O-CG2 3.49Å; N291-I435 PolarHBondContact O-N 3.36Å; A292-I435 HydrophobicContact CB-CG2 3.84Å; H423-I435 HydrophobicContact CB-CD1 3.74Å; H423-I435 VanDerWaalsContact CD2-CD1 3.48Å; H423-I435 WeakPolarHBondContact CD2-CD1 3.49Å; V424-I435 WeakPolarHBondContact O-CA 3.49Å; V425-I435 HydrophobicContact CG2-CD1 3.72Å; I435-M446 HydrophobicContact CD1-CB 4.27Å; I435-T450 HydrophobicContact CB-CG2 4.06Å; I435-T450 WeakPolarHBondContact CB-OG1 3.15Å; I435-T450 HydrophobicContact CG2-CG2 3.98Å
436	A	93.7	Very high	94.3	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	148.9	-175.6	0	0	0	0	0	111	T297 I311 V408 H423 V424 T434	T297-A436 HydrophobicContact CG2-CB 3.83Å; I311-A436 HydrophobicContact CD1-CB 3.99Å; V408-A436 HydrophobicContact CG1-CB 3.68Å; H423-A436 CarbonylContact C-O 3.59Å; H423-A436 WeakPolarHBondContact CA-O 3.03Å; H423-A436 WeakPolarHBondContact CB-O 3.46Å; V424-A436 PolarHBondContact N-O 2.66Å; V424-A436 PolarHBondContact O-N 2.96Å; T434-A436 HydrophobicContact CG2-CB 4.21Å
437	G	90.8	Very high	94.5	Very high	12 Å²	12	22 Å²	22	12%	0.124	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.5	-152.1	-177.6	0	0	0	0	0	114.3	P406	P406-G437 VanDerWaalsContact O-CA 3.31Å; P406-G437 WeakPolarHBondContact O-CA 3.26Å
438	G	88.6	Confident	94.6	Very high	28 Å²	28	21.5 Å²	21.5	29%	0.289	12%	0.123	S	C	.	.			trans	77.1	-168.8	177.7	0	0	0	0	0	115.8	N422 M446	N422-G438 PolarHBondContact O-N 3.42Å; G438-M446 VanDerWaalsContact CA-SD 3.58Å
439	K	90.2	Very high	94.8	Very high	68 Å²	68	23.6 Å²	23.6	30%	0.296	13%	0.129	S	C	.	.			trans	-134	156.6	-172.4	-66.6	170.8	-174.5	153.6	0	110.3	Y124 M139 T441 T442 Y443 M446	Y124-K439 VanDerWaalsContact CE2-NZ 3.26Å; Y124-K439 PolarHBondContact OH-NZ 3.36Å; M139-K439 PolarHBondContact SD-NZ 3.04Å; M139-K439 VanDerWaalsContact SD-NZ 3.38Å; K439-T441 VanDerWaalsContact C-N 3.29Å; K439-T441 PolarHBondContact O-N 3.42Å; K439-T442 PolarHBondContact O-N 3.28Å; K439-T442 PolarHBondContact O-OG1 3Å; K439-Y443 PolarHBondContact O-N 3Å; K439-M446 WeakPolarHBondContact O-CE 3.2Å
440	W	94.4	Very high	95.1	Very high	30 Å²	30	17.1 Å²	17.1	11%	0.114	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-58.7	-42.6	174.9	-162.8	106.4	0	0	0	111.5	I118 L150 H226 M231 T442 Y443	I118-W440 HydrophobicContact CD1-CZ3 4.13Å; I118-W440 HydrophobicContact CG1-CE3 4.33Å; I118-W440 HydrophobicContact CG1-CZ3 3.97Å; L150-W440 HydrophobicContact CD1-CE3 4.22Å; L150-W440 HydrophobicContact CD1-CH2 4.31Å; L150-W440 HydrophobicContact CD1-CZ3 3.49Å; L150-W440 VanDerWaalsContact CD1-CZ3 3.49Å; L150-W440 HydrophobicContact CD2-CH2 3.49Å; L150-W440 VanDerWaalsContact CD2-CH2 3.49Å; L150-W440 HydrophobicContact CD2-CZ3 3.56Å; L150-W440 HydrophobicContact CG-CZ3 4.14Å; H226-W440 AromaticContact CE1-CD2 3.21Å; H226-W440 AromaticContact CE1-CE2 3.26Å; H226-W440 AromaticContact CE1-CE3 3.22Å; H226-W440 AromaticContact CE1-CG 3.92Å; H226-W440 AromaticContact CE1-CH2 3.45Å; H226-W440 VanDerWaalsContact CE1-CH2 3.45Å; H226-W440 WeakPolarHBondContact CE1-CH2 3.31Å; H226-W440 AromaticContact CE1-CZ2 3.42Å; H226-W440 VanDerWaalsContact CE1-CZ2 3.42Å; H226-W440 WeakPolarHBondContact CE1-CZ2 3.09Å; H226-W440 AromaticContact CE1-CZ3 3.33Å; H226-W440 WeakPolarHBondContact CE1-CZ3 3.2Å; H226-W440 AromaticContact CE1-NE1 3.85Å; H226-W440 AromaticContact ND1-CD2 3.87Å; H226-W440 AromaticContact ND1-CE2 3.7Å; H226-W440 AromaticContact ND1-CE3 3.56Å; H226-W440 AromaticContact ND1-CH2 3.01Å; H226-W440 WeakPolarHBondContact ND1-CH2 3.38Å; H226-W440 AromaticContact ND1-CZ2 3.33Å; H226-W440 VanDerWaalsContact ND1-CZ2 3.33Å; H226-W440 WeakPolarHBondContact ND1-CZ2 3.3Å; H226-W440 AromaticContact ND1-CZ3 3.12Å; H226-W440 WeakPolarHBondContact ND1-CZ3 3.39Å; M231-W440 HydrophobicContact CB-CH2 3.97Å; M231-W440 HydrophobicContact CB-CZ2 3.68Å; M231-W440 HydrophobicContact CE-CH2 4.08Å; M231-W440 HydrophobicContact CG-CH2 3.5Å; M231-W440 VanDerWaalsContact CG-CH2 3.5Å; M231-W440 HydrophobicContact CG-CZ2 3.53Å; M231-W440 HydrophobicContact SD-CH2 4.34Å; W440-T442 PolarHBondContact O-N 3.37Å; W440-T442 VanDerWaalsContact O-N 3.15Å; W440-Y443 WeakPolarHBondContact O-CB 3.35Å; W440-Y443 WeakPolarHBondContact O-CD1 2.95Å; W440-Y443 PolarHBondContact O-N 3.36Å
441	T	94.4	Very high	95.5	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.043	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-53.3	-37	178.2	-54.2	0	0	0	0	113.5	I118 H119 A143 E146 K439	I118-T441 HydrophobicContact CG2-CG2 3.58Å; H119-T441 PolarHBondContact N-OG1 3.37Å; H119-T441 PolarHBondContact O-OG1 3.2Å; A143-T441 HydrophobicContact CB-CG2 4.18Å; A143-T441 WeakPolarHBondContact O-CG2 3.22Å; E146-T441 HydrophobicContact CB-CG2 4.37Å; E146-T441 VanDerWaalsContact CB-O 3.23Å; E146-T441 WeakPolarHBondContact CB-O 3.37Å; K439-T441 VanDerWaalsContact C-N 3.29Å; K439-T441 PolarHBondContact O-N 3.42Å
442	T	94.3	Very high	95.7	Very high	10 Å²	10	19 Å²	19	6%	0.061	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-99.6	13.4	-173.3	56.8	0	0	0	0	113.4	E142 K439 W440 R444 A445 M446	E142-T442 HydrophobicContact CG-CG2 4.31Å; K439-T442 PolarHBondContact O-N 3.28Å; K439-T442 PolarHBondContact O-OG1 3Å; W440-T442 PolarHBondContact O-N 3.37Å; W440-T442 VanDerWaalsContact O-N 3.15Å; T442-R444 PolarHBondContact O-N 2.9Å; T442-R444 VanDerWaalsContact O-N 3.1Å; T442-A445 PolarHBondContact O-N 3.15Å; T442-A445 VanDerWaalsContact O-N 3.14Å; T442-M446 WeakPolarHBondContact O-CG 3.31Å; T442-M446 PolarHBondContact O-N 3.46Å
443	Y	96.3	Very high	95.7	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-52.3	-38.5	-173.8	84.9	-77.1	0	0	0	114.2	A82 L150 I235 K439 W440 M446 A447	A82-Y443 WeakPolarHBondContact O-CD2 3.49Å; L150-Y443 HydrophobicContact CD1-CE1 4.3Å; L150-Y443 HydrophobicContact CD2-CD1 4.49Å; L150-Y443 HydrophobicContact CD2-CE1 3.61Å; L150-Y443 HydrophobicContact CG-CE1 4.09Å; I235-Y443 HydrophobicContact CD1-CD2 3.98Å; I235-Y443 HydrophobicContact CD1-CE1 4.3Å; I235-Y443 HydrophobicContact CD1-CE2 3.33Å; I235-Y443 HydrophobicContact CG1-CE2 4.1Å; I235-Y443 HydrophobicContact CG2-CE2 4.36Å; K439-Y443 PolarHBondContact O-N 3Å; W440-Y443 WeakPolarHBondContact O-CB 3.35Å; W440-Y443 WeakPolarHBondContact O-CD1 2.95Å; W440-Y443 PolarHBondContact O-N 3.36Å; Y443-M446 VanDerWaalsContact CA-CE 3.49Å; Y443-A447 WeakPolarHBondContact O-CB 3.35Å; Y443-A447 PolarHBondContact O-N 3.47Å
444	R	97.2	Very high	95.7	Very high	15 Å²	15	19.9 Å²	19.9	6%	0.057	11%	0.11	C	C	.	.	H	α-helix	trans	-74.2	-40.7	-177.6	-175.6	-139.5	67.9	75.9	0.4	111.8	E146 T442 A447 Q448 T467	E146-R444 IonicContact OE1-CZ 3Å; E146-R444 VanDerWaalsContact OE1-CZ 3.27Å; E146-R444 IonicContact OE1-NE 3.56Å; E146-R444 PolarHBondContact OE1-NE 2.78Å; E146-R444 IonicContact OE1-NH2 2.7Å; E146-R444 PolarHBondContact OE1-NH2 3.38Å; E146-R444 WeakPolarHBondContact OE2-CB 3Å; E146-R444 IonicContact OE2-CZ 2.81Å; E146-R444 IonicContact OE2-NE 3.6Å; E146-R444 PolarHBondContact OE2-NE 2.93Å; T442-R444 PolarHBondContact O-N 2.9Å; T442-R444 VanDerWaalsContact O-N 3.1Å; R444-A447 PolarHBondContact O-N 3.24Å; R444-Q448 WeakPolarHBondContact O-CB 3.28Å; R444-Q448 PolarHBondContact O-N 3.31Å; R444-T467 WeakPolarHBondContact CD-OG1 3.26Å; R444-T467 VanDerWaalsContact CG-OG1 3.3Å; R444-T467 WeakPolarHBondContact CG-OG1 3.45Å; R444-T467 PolarHBondContact NH1-OG1 3.12Å; R444-T467 VanDerWaalsContact NH1-OG1 3.16Å
445	A	95.9	Very high	95.7	Very high	5 Å²	5	21.1 Å²	21.1	4%	0.041	12%	0.117	C	C	.	.	H	α-helix	trans	-61.9	-44.9	172.5	0	0	0	0	0	111	E142 E146 T442 A447 Q448 E449	E142-A445 HydrophobicContact CG-CB 4.36Å; E146-A445 HydrophobicContact CG-CB 4.34Å; T442-A445 PolarHBondContact O-N 3.15Å; T442-A445 VanDerWaalsContact O-N 3.14Å; A445-A447 VanDerWaalsContact C-N 3.33Å; A445-A447 PolarHBondContact O-N 3.05Å; A445-Q448 WeakPolarHBondContact O-CB 3.07Å; A445-Q448 PolarHBondContact O-N 2.74Å; A445-E449 PolarHBondContact O-N 3.48Å
446	M	96.5	Very high	95.7	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-43.7	174.1	-66.1	-168.6	-68.2	0	0	112.4	H423 I435 G438 K439 T442 Y443 E449 T450	H423-M446 HydrophobicContact CB-CG 4.13Å; H423-M446 HydrophobicContact CB-SD 3.61Å; I435-M446 HydrophobicContact CD1-CB 4.27Å; G438-M446 VanDerWaalsContact CA-SD 3.58Å; K439-M446 WeakPolarHBondContact O-CE 3.2Å; T442-M446 WeakPolarHBondContact O-CG 3.31Å; T442-M446 PolarHBondContact O-N 3.46Å; Y443-M446 VanDerWaalsContact CA-CE 3.49Å; M446-E449 PolarHBondContact O-N 2.78Å; M446-T450 WeakPolarHBondContact O-CB 3.49Å; M446-T450 PolarHBondContact O-N 2.78Å; M446-T450 PolarHBondContact O-OG1 3.11Å
447	A	98.2	Very high	95.7	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-47.3	176.4	0	0	0	0	0	111.5	G86 Y443 R444 A445 E449 T450 I451	G86-A447 WeakPolarHBondContact O-CB 3.19Å; Y443-A447 WeakPolarHBondContact O-CB 3.35Å; Y443-A447 PolarHBondContact O-N 3.47Å; R444-A447 PolarHBondContact O-N 3.24Å; A445-A447 VanDerWaalsContact C-N 3.33Å; A445-A447 PolarHBondContact O-N 3.05Å; A447-E449 PolarHBondContact O-N 3.05Å; A447-T450 PolarHBondContact O-N 3.27Å; A447-I451 WeakPolarHBondContact O-CG1 3.41Å; A447-I451 PolarHBondContact O-N 3.36Å
448	Q	97.9	Very high	95.8	Very high	56 Å²	56	34.8 Å²	34.8	26%	0.262	17%	0.174	S	C	.	.	H	α-helix	trans	-56.3	-50.3	177.3	172.4	173.2	-15.7	0	0	111.8	D90 R94 R444 A445 T450 I451 D452 C465	D90-Q448 WeakPolarHBondContact OD2-CA 3.23Å; R94-Q448 PolarHBondContact NH2-O 3.41Å; R444-Q448 WeakPolarHBondContact O-CB 3.28Å; R444-Q448 PolarHBondContact O-N 3.31Å; A445-Q448 WeakPolarHBondContact O-CB 3.07Å; A445-Q448 PolarHBondContact O-N 2.74Å; Q448-T450 VanDerWaalsContact C-N 3.31Å; Q448-T450 PolarHBondContact O-N 3.28Å; Q448-I451 PolarHBondContact O-N 2.91Å; Q448-D452 WeakPolarHBondContact CG-OD2 3.07Å; Q448-D452 VanDerWaalsContact O-CB 3.3Å; Q448-D452 WeakPolarHBondContact O-CB 3.37Å; Q448-D452 PolarHBondContact O-N 3.4Å; Q448-C465 HydrophobicContact CG-CB 3.98Å; Q448-C465 PolarHBondContact OE1-SG 3.13Å; Q448-C465 VanDerWaalsContact OE1-SG 3.36Å
449	E	97.1	Very high	96.1	Very high	82 Å²	82	41.2 Å²	41.2	38%	0.383	20%	0.196	S	C	.	.	H	α-helix	trans	-62.8	-38.7	179.2	-72	-179.4	-152.6	0	0	112.6	H423 A445 M446 A447 D452 A453	H423-E449 IonicContact CD2-OE2 3.66Å; H423-E449 IonicContact CE1-OE1 2.84Å; H423-E449 IonicContact CE1-OE2 3.97Å; H423-E449 IonicContact NE2-OE1 3.78Å; H423-E449 IonicContact NE2-OE2 3.08Å; H423-E449 PolarHBondContact NE2-OE2 3.37Å; A445-E449 PolarHBondContact O-N 3.48Å; M446-E449 PolarHBondContact O-N 2.78Å; A447-E449 PolarHBondContact O-N 3.05Å; E449-D452 PolarHBondContact O-N 3.5Å; E449-A453 WeakPolarHBondContact O-CB 3.41Å; E449-A453 PolarHBondContact O-N 3.35Å
450	T	98.3	Very high	96.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-44.8	179.3	-55.1	0	0	0	0	111.1	I290 I433 I435 M446 A447 Q448 A453 A454	I290-T450 HydrophobicContact CD1-CG2 4.15Å; I290-T450 HydrophobicContact CG2-CG2 3.72Å; I433-T450 HydrophobicContact CG2-CG2 4.04Å; I435-T450 HydrophobicContact CB-CG2 4.06Å; I435-T450 WeakPolarHBondContact CB-OG1 3.15Å; I435-T450 HydrophobicContact CG2-CG2 3.98Å; M446-T450 WeakPolarHBondContact O-CB 3.49Å; M446-T450 PolarHBondContact O-N 2.78Å; M446-T450 PolarHBondContact O-OG1 3.11Å; A447-T450 PolarHBondContact O-N 3.27Å; Q448-T450 VanDerWaalsContact C-N 3.31Å; Q448-T450 PolarHBondContact O-N 3.28Å; T450-A453 PolarHBondContact O-N 2.8Å; T450-A454 PolarHBondContact O-N 3.48Å
451	I	98.5	Very high	96.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-70	-37.4	176.7	-61	-51.9	0	0	0	111.1	C87 D90 A91 L96 I290 A447 Q448 A453 A454 V455	C87-I451 HydrophobicContact CB-CD1 4.13Å; C87-I451 HydrophobicContact CB-CG1 4.5Å; D90-I451 HydrophobicContact CB-CG1 4.18Å; D90-I451 WeakPolarHBondContact OD2-CB 3.48Å; A91-I451 HydrophobicContact CB-CD1 3.9Å; A91-I451 HydrophobicContact CB-CG1 4.33Å; L96-I451 HydrophobicContact CD1-CG2 4.29Å; I290-I451 HydrophobicContact CD1-CD1 3.56Å; A447-I451 WeakPolarHBondContact O-CG1 3.41Å; A447-I451 PolarHBondContact O-N 3.36Å; Q448-I451 PolarHBondContact O-N 2.91Å; I451-A453 VanDerWaalsContact C-N 3.31Å; I451-A453 PolarHBondContact O-N 3.01Å; I451-A454 WeakPolarHBondContact O-CB 3.36Å; I451-A454 PolarHBondContact O-N 3.35Å; I451-V455 HydrophobicContact CG2-CG2 4.09Å; I451-V455 WeakPolarHBondContact O-CB 3.35Å; I451-V455 WeakPolarHBondContact O-CG2 3.37Å; I451-V455 PolarHBondContact O-N 3.1Å
452	D	98.2	Very high	96.1	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.342	22%	0.223	S	C	.	.	H	α-helix	trans	-59.7	-42.8	173.8	-72.2	-15.8	0	0	0	111.2	R94 Q448 E449 V455 K456	R94-D452 IonicContact CZ-OD1 3.66Å; R94-D452 IonicContact NH1-OD1 3.49Å; R94-D452 PolarHBondContact NH1-OD1 2.81Å; R94-D452 IonicContact NH2-OD1 3.77Å; R94-D452 PolarHBondContact NH2-OD1 3.4Å; Q448-D452 WeakPolarHBondContact CG-OD2 3.07Å; Q448-D452 VanDerWaalsContact O-CB 3.3Å; Q448-D452 WeakPolarHBondContact O-CB 3.37Å; Q448-D452 PolarHBondContact O-N 3.4Å; E449-D452 PolarHBondContact O-N 3.5Å; D452-V455 PolarHBondContact O-N 2.89Å; D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.39Å; D452-K456 PolarHBondContact O-N 3.13Å
453	A	97.6	Very high	96.1	Very high	23 Å²	23	48 Å²	48	19%	0.19	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-43.5	174.3	0	0	0	0	0	111.9	V425 E449 T450 I451 K456 F457	V425-A453 HydrophobicContact CG1-CB 3.88Å; E449-A453 WeakPolarHBondContact O-CB 3.41Å; E449-A453 PolarHBondContact O-N 3.35Å; T450-A453 PolarHBondContact O-N 2.8Å; I451-A453 VanDerWaalsContact C-N 3.31Å; I451-A453 PolarHBondContact O-N 3.01Å; A453-K456 PolarHBondContact O-N 2.7Å; A453-F457 VanDerWaalsContact O-CB 3.23Å; A453-F457 WeakPolarHBondContact O-CB 3.5Å; A453-F457 PolarHBondContact O-N 3.33Å
454	A	97.3	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-46.9	176.9	0	0	0	0	0	112.9	I290 I433 T450 I451 K456 F457 L458	I290-A454 HydrophobicContact CD1-CB 4.44Å; I433-A454 HydrophobicContact CD1-CB 3.46Å; I433-A454 VanDerWaalsContact CD1-CB 3.46Å; T450-A454 PolarHBondContact O-N 3.48Å; I451-A454 WeakPolarHBondContact O-CB 3.36Å; I451-A454 PolarHBondContact O-N 3.35Å; A454-K456 VanDerWaalsContact C-N 3.35Å; A454-K456 PolarHBondContact O-N 3.12Å; A454-F457 PolarHBondContact O-N 2.97Å; A454-L458 PolarHBondContact O-N 3.4Å; A454-L458 VanDerWaalsContact O-N 3.07Å
455	V	97.4	Very high	95.8	Very high	29 Å²	29	53.8 Å²	53.8	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-44.3	178.6	169.4	0	0	0	0	110.6	L96 I451 D452 H459 L460 A462	L96-V455 HydrophobicContact CD1-CG2 4.26Å; I451-V455 HydrophobicContact CG2-CG2 4.09Å; I451-V455 WeakPolarHBondContact O-CB 3.35Å; I451-V455 WeakPolarHBondContact O-CG2 3.37Å; I451-V455 PolarHBondContact O-N 3.1Å; D452-V455 PolarHBondContact O-N 2.89Å; V455-H459 WeakPolarHBondContact O-CA 3.44Å; V455-H459 PolarHBondContact O-N 2.98Å; V455-L460 HydrophobicContact CG2-CB 4.3Å; V455-L460 PolarHBondContact O-N 3.13Å; V455-A462 HydrophobicContact CB-CB 4.33Å; V455-A462 HydrophobicContact CG1-CB 3.93Å; V455-A462 HydrophobicContact CG2-CB 3.37Å
456	K	96.7	Very high	95.5	Very high	171 Å²	171	55.2 Å²	55.2	74%	0.743	28%	0.284	S	S	*	.	H	α-helix	trans	-67	-42.2	178.6	-174.6	179.3	179.1	-177.7	0	112.4	D452 A453 A454	D452-K456 VanDerWaalsContact O-CB 3.31Å; D452-K456 WeakPolarHBondContact O-CB 3.39Å; D452-K456 PolarHBondContact O-N 3.13Å; A453-K456 PolarHBondContact O-N 2.7Å; A454-K456 VanDerWaalsContact C-N 3.35Å; A454-K456 PolarHBondContact O-N 3.12Å
457	F	94.1	Very high	95.4	Very high	90 Å²	90	55.4 Å²	55.4	40%	0.395	29%	0.286	S	S	.	.	H	α-helix	trans	-68.7	-39.8	-176.6	179	-114.6	0	0	0	112.8	I427 A453 A454	I427-F457 HydrophobicContact CD1-CB 3.78Å; I427-F457 HydrophobicContact CD1-CD1 4.42Å; I427-F457 HydrophobicContact CD1-CD2 4.04Å; I427-F457 HydrophobicContact CD1-CG 3.83Å; I427-F457 HydrophobicContact CG2-CD1 4.04Å; I427-F457 HydrophobicContact CG2-CD2 4.16Å; I427-F457 HydrophobicContact CG2-CE1 3.87Å; I427-F457 HydrophobicContact CG2-CE2 3.96Å; I427-F457 HydrophobicContact CG2-CG 4.21Å; I427-F457 HydrophobicContact CG2-CZ 3.82Å; A453-F457 VanDerWaalsContact O-CB 3.23Å; A453-F457 WeakPolarHBondContact O-CB 3.5Å; A453-F457 PolarHBondContact O-N 3.33Å; A454-F457 PolarHBondContact O-N 2.97Å
458	L	92.4	Very high	95.1	Very high	44 Å²	44	58.5 Å²	58.5	23%	0.23	30%	0.304	C	S	.	.	H	α-helix	trans	-106.3	2.4	-175.9	-69.5	166.3	0	0	0	114.2	K287 C288 A454 L460	K287-L458 VanDerWaalsContact O-CD1 3.31Å; K287-L458 WeakPolarHBondContact O-CD1 3.36Å; C288-L458 HydrophobicContact CB-CD1 3.36Å; A454-L458 PolarHBondContact O-N 3.4Å; A454-L458 VanDerWaalsContact O-N 3.07Å; L458-L460 HydrophobicContact CB-CD2 3.98Å; L458-L460 HydrophobicContact CB-CG 3.9Å; L458-L460 PolarHBondContact O-N 3.14Å
459	H	94.3	Very high	94.8	Very high	163 Å²	163	56.5 Å²	56.5	76%	0.755	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	42.7	-174.3	-57.9	-66.6	0	0	0	112.8	V455	V455-H459 WeakPolarHBondContact O-CA 3.44Å; V455-H459 PolarHBondContact O-N 2.98Å
460	L	94.3	Very high	94.5	Very high	13 Å²	13	53.2 Å²	53.2	7%	0.068	28%	0.284	C	S	.	.			trans	-65.6	143.9	-179.8	-60.1	176	0	0	0	110.4	V75 L96 K287 V455 L458 A462	V75-L460 HydrophobicContact CG2-CD1 3.92Å; L96-L460 HydrophobicContact CD1-CD1 4.36Å; L96-L460 HydrophobicContact CD2-CB 4.03Å; L96-L460 HydrophobicContact CD2-CD1 4.5Å; K287-L460 HydrophobicContact CB-CD2 4.42Å; K287-L460 HydrophobicContact CD-CD2 4.04Å; V455-L460 HydrophobicContact CG2-CB 4.3Å; V455-L460 PolarHBondContact O-N 3.13Å; L458-L460 HydrophobicContact CB-CD2 3.98Å; L458-L460 HydrophobicContact CB-CG 3.9Å; L458-L460 PolarHBondContact O-N 3.14Å; L460-A462 PolarHBondContact O-N 2.91Å
461	P	92.5	Very high	94.3	Very high	107 Å²	107	55.5 Å²	55.5	70%	0.695	30%	0.295	S	S	*	.			trans	-78.2	60.9	-179.2	34	-36.9	0	0	0	111.7
462	A	93.9	Very high	94.2	Very high	29 Å²	29	55.8 Å²	55.8	24%	0.24	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-92.1	148.6	-177.4	0	0	0	0	0	112.7	R94 L96 V455 L460	R94-A462 HydrophobicContact CB-CB 4.26Å; L96-A462 HydrophobicContact CD1-CB 4.14Å; L96-A462 HydrophobicContact CD2-CB 3.99Å; L96-A462 HydrophobicContact CG-CB 4.15Å; V455-A462 HydrophobicContact CB-CB 4.33Å; V455-A462 HydrophobicContact CG1-CB 3.93Å; V455-A462 HydrophobicContact CG2-CB 3.37Å; L460-A462 PolarHBondContact O-N 2.91Å
463	R	92.8	Very high	94	Very high	110 Å²	110	53.6 Å²	53.6	42%	0.415	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-80.9	168	166.7	-67	-172.6	-179.6	175.5	4.9	111.5	R94	R94-R463 WeakPolarHBondContact CD-O 3.43Å; R94-R463 VanDerWaalsContact CG-O 3.31Å; R94-R463 WeakPolarHBondContact CG-O 3.44Å; R94-R463 PolarHBondContact O-N 3.35Å; R94-R463 VanDerWaalsContact O-N 3.11Å
464	P	93.1	Very high	93.8	Very high	108 Å²	108	52.9 Å²	52.9	70%	0.701	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-57.6	154.5	169.8	-24.3	35	0	0	0	112.3	R466	P464-R466 VanDerWaalsContact O-CG 3.3Å; P464-R466 WeakPolarHBondContact O-CG 3.31Å
465	C	93.9	Very high	93.7	Very high	32 Å²	32	53.1 Å²	53.1	22%	0.216	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-55	138.3	174.7	-175.4	0	0	0	0	112.1	D90 Q448 T467	D90-C465 PolarHBondContact OD1-SG 3.24Å; Q448-C465 HydrophobicContact CG-CB 3.98Å; Q448-C465 PolarHBondContact OE1-SG 3.13Å; Q448-C465 VanDerWaalsContact OE1-SG 3.36Å; C465-T467 PolarHBondContact SG-OG1 3.49Å
466	R	91	Very high	93.4	Very high	34 Å²	34	58.5 Å²	58.5	13%	0.128	30%	0.302	C	S	.	.			trans	-130.5	12.1	-177.8	-54.8	-171.6	61.7	170.1	-2.5	114.2	A45 E48 P464	A45-R466 PolarHBondContact O-NH2 3.08Å; E48-R466 VanDerWaalsContact C-NH1 3.27Å; E48-R466 PolarHBondContact O-NH1 2.96Å; E48-R466 PolarHBondContact O-NH2 2.82Å; P464-R466 VanDerWaalsContact O-CG 3.3Å; P464-R466 WeakPolarHBondContact O-CG 3.31Å
467	T	93.7	Very high	92.9	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.049	30%	0.297	C	S	.	.			trans	-78.9	-17.7	-171.9	53.8	0	0	0	0	113.7	L89 D90 R444 C465 G469 L470	L89-T467 HydrophobicContact CG-CG2 4.48Å; D90-T467 HydrophobicContact CB-CG2 3.82Å; R444-T467 WeakPolarHBondContact CD-OG1 3.26Å; R444-T467 VanDerWaalsContact CG-OG1 3.3Å; R444-T467 WeakPolarHBondContact CG-OG1 3.45Å; R444-T467 PolarHBondContact NH1-OG1 3.12Å; R444-T467 VanDerWaalsContact NH1-OG1 3.16Å; C465-T467 PolarHBondContact SG-OG1 3.49Å; T467-G469 PolarHBondContact O-N 2.77Å; T467-L470 PolarHBondContact O-N 3.23Å
468	V	93	Very high	92.9	Very high	65 Å²	65	52.1 Å²	52.1	39%	0.394	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	123.2	173.7	179.9	0	0	0	0	109.4	L470	V468-L470 PolarHBondContact O-N 2.99Å
469	G	90.1	Very high	92.8	Very high	15 Å²	15	53.1 Å²	53.1	16%	0.155	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.1	1.1	-179.1	0	0	0	0	0	115.5	N149 T467 M471	N149-G469 PolarHBondContact OD1-N 3.47Å; T467-G469 PolarHBondContact O-N 2.77Å; G469-M471 PolarHBondContact O-N 3.38Å
470	L	92.4	Very high	92.6	Very high	12 Å²	12	50 Å²	50	6%	0.063	29%	0.292	C	S	.	.			trans	-71.8	111.8	176.4	-179.8	62.9	0	0	0	110.2	L49 L89 T93 I153 T467 V468 L472	L49-L470 HydrophobicContact CD1-CD1 3.66Å; L89-L470 HydrophobicContact CD1-CD2 4Å; L89-L470 HydrophobicContact CD2-CD2 4.37Å; L89-L470 HydrophobicContact CG-CD2 4.3Å; T93-L470 HydrophobicContact CG2-CD2 3.77Å; I153-L470 VanDerWaalsContact CB-O 3.27Å; I153-L470 WeakPolarHBondContact CB-O 3.34Å; I153-L470 VanDerWaalsContact CG2-O 3.28Å; I153-L470 WeakPolarHBondContact CG2-O 3.4Å; T467-L470 PolarHBondContact O-N 3.23Å; V468-L470 PolarHBondContact O-N 2.99Å; L470-L472 PolarHBondContact O-N 3.43Å
471	M	93.9	Very high	92.6	Very high	49 Å²	49	53.3 Å²	53.3	24%	0.241	31%	0.313	C	S	.	.			trans	-62.1	134.1	179.1	-71.5	-167.3	-177.8	0	0	111.5	G469 A475	G469-M471 PolarHBondContact O-N 3.38Å; M471-A475 HydrophobicContact CB-CB 4.13Å; M471-A475 HydrophobicContact CG-CB 4.47Å
472	L	95.6	Very high	92.8	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.031	28%	0.281	C	S	.	.			trans	-84	165.3	176.3	-59	-175.7	0	0	0	111.5	L89 I153 A154 M231 A234 I235 T238 L470 G474 A475	L89-L472 HydrophobicContact CD2-CD2 3.85Å; I153-L472 HydrophobicContact CB-CG 4.46Å; I153-L472 HydrophobicContact CD1-CD1 4Å; I153-L472 HydrophobicContact CD1-CD2 4.38Å; I153-L472 HydrophobicContact CD1-CG 4Å; I153-L472 HydrophobicContact CG1-CD1 4.27Å; I153-L472 HydrophobicContact CG1-CG 4.18Å; I153-L472 PolarHBondContact O-N 2.88Å; A154-L472 HydrophobicContact CB-CB 4.43Å; A154-L472 HydrophobicContact CB-CD1 4.1Å; M231-L472 HydrophobicContact CG-CD1 4.3Å; M231-L472 HydrophobicContact SD-CD1 3.71Å; A234-L472 HydrophobicContact CB-CB 4.22Å; A234-L472 HydrophobicContact CB-CD1 4.47Å; I235-L472 HydrophobicContact CG1-CD1 3.61Å; I235-L472 HydrophobicContact CG1-CD2 4.2Å; T238-L472 HydrophobicContact CG2-CD2 4.36Å; L470-L472 PolarHBondContact O-N 3.43Å; L472-G474 PolarHBondContact O-N 3.28Å; L472-A475 WeakPolarHBondContact O-CB 3.46Å; L472-A475 PolarHBondContact O-N 3.05Å
473	E	93.9	Very high	92.9	Very high	18 Å²	18	50 Å²	50	8%	0.084	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.3	131.8	171	-175.9	69.1	171.5	0	0	110.9	H156 A234 L237 T238 R241 A475 K507	H156-E473 PolarHBondContact CE1-O 2.78Å; H156-E473 VanDerWaalsContact CE1-O 3.29Å; H156-E473 PolarHBondContact NE2-O 2.72Å; A234-E473 HydrophobicContact CB-CB 4.38Å; L237-E473 HydrophobicContact CB-CB 4.41Å; L237-E473 HydrophobicContact CB-CG 4.41Å; T238-E473 PolarHBondContact OG1-N 3.11Å; R241-E473 VanDerWaalsContact CD-OE2 3.28Å; R241-E473 WeakPolarHBondContact CD-OE2 3.43Å; R241-E473 IonicContact CZ-OE1 3.64Å; R241-E473 VanDerWaalsContact CZ-OE1 3.29Å; R241-E473 IonicContact CZ-OE2 3.99Å; R241-E473 IonicContact NE-OE1 2.84Å; R241-E473 PolarHBondContact NE-OE1 3.37Å; R241-E473 IonicContact NE-OE2 3.27Å; R241-E473 PolarHBondContact NE-OE2 3.33Å; R241-E473 IonicContact NH2-OE1 3.83Å; R241-E473 PolarHBondContact NH2-OE1 3.38Å; R241-E473 IonicContact NH2-OE2 3.29Å; E473-A475 VanDerWaalsContact C-N 3.28Å; E473-A475 PolarHBondContact O-N 3.1Å; E473-K507 WeakPolarHBondContact OE1-CE 3.47Å; E473-K507 IonicContact OE1-NZ 3.79Å
474	G	94	Very high	93.1	Very high	8 Å²	8	47.7 Å²	47.7	8%	0.082	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-18.6	-177.4	0	0	0	0	0	115.4	L472 K476 Y504 G505 G506	L472-G474 PolarHBondContact O-N 3.28Å; G474-K476 PolarHBondContact O-N 2.77Å; G474-Y504 WeakPolarHBondContact CA-O 3.42Å; G474-G505 CarbonylContact O-C 3.58Å; G474-G505 WeakPolarHBondContact O-CA 3.4Å; G474-G506 PolarHBondContact O-N 2.64Å
475	A	95	Very high	93.3	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.041	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.8	-176.7	0	0	0	0	0	113.7	I153 H156 M471 L472 E473 G477 W478	I153-A475 WeakPolarHBondContact O-CB 2.97Å; H156-A475 PolarHBondContact CE1-N 3.11Å; M471-A475 HydrophobicContact CB-CB 4.13Å; M471-A475 HydrophobicContact CG-CB 4.47Å; L472-A475 WeakPolarHBondContact O-CB 3.46Å; L472-A475 PolarHBondContact O-N 3.05Å; E473-A475 VanDerWaalsContact C-N 3.28Å; E473-A475 PolarHBondContact O-N 3.1Å; A475-G477 PolarHBondContact O-N 2.82Å; A475-W478 WeakPolarHBondContact O-CB 3.45Å; A475-W478 PolarHBondContact O-N 2.92Å
476	K	90.7	Very high	93.5	Very high	141 Å²	141	47.6 Å²	47.6	61%	0.613	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	127.6	-177.6	-169.5	167.1	-171.6	152.5	0	111.1	E46 G474 W478	E46-K476 IonicContact OE1-NZ 2.93Å; E46-K476 PolarHBondContact OE1-NZ 3.33Å; G474-K476 PolarHBondContact O-N 2.77Å; K476-W478 PolarHBondContact O-N 2.75Å
477	G	86.1	Confident	93.8	Very high	63 Å²	63	47.5 Å²	47.5	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.3	2.6	179.1	0	0	0	0	0	115	A475	A475-G477 PolarHBondContact O-N 2.82Å
478	W	93.3	Very high	93.9	Very high	64 Å²	64	53.9 Å²	53.9	24%	0.242	29%	0.29	C	S	.	.			trans	-68.4	140.5	176	-178.4	81.4	0	0	0	112	P155 H156 A475 K476 P480 A501	P155-W478 HydrophobicContact CB-CE3 3.71Å; P155-W478 HydrophobicContact CB-CH2 4.44Å; P155-W478 HydrophobicContact CB-CZ3 3.68Å; P155-W478 HydrophobicContact CG-CD2 4.29Å; P155-W478 HydrophobicContact CG-CE3 3.66Å; P155-W478 HydrophobicContact CG-CZ3 4.17Å; P155-W478 WeakPolarHBondContact O-CH2 3.29Å; H156-W478 VanDerWaalsContact CB-CD1 3.49Å; H156-W478 HydrophobicContact CB-CD2 4.06Å; H156-W478 HydrophobicContact CB-CG 3.78Å; A475-W478 WeakPolarHBondContact O-CB 3.45Å; A475-W478 PolarHBondContact O-N 2.92Å; K476-W478 PolarHBondContact O-N 2.75Å; W478-P480 HydrophobicContact CH2-CG 3.92Å; W478-P480 HydrophobicContact CZ3-CG 4.12Å; W478-A501 VanDerWaalsContact CD1-O 3.29Å; W478-A501 PolarHBondContact NE1-O 3.33Å
479	T	92.3	Very high	94	Very high	65 Å²	65	55 Å²	55	40%	0.399	29%	0.294	S	S	.	.			trans	-143.4	155.1	170.3	61.1	0	0	0	0	109.1	T481 L482	T479-T481 PolarHBondContact O-N 3.27Å; T479-T481 PolarHBondContact OG1-OG1 2.88Å; T479-L482 VanDerWaalsContact O-CB 3.25Å; T479-L482 WeakPolarHBondContact O-CB 3.28Å; T479-L482 PolarHBondContact O-N 2.88Å; T479-L482 PolarHBondContact OG1-N 3.15Å
480	P	89.8	Confident	94.3	Very high	97 Å²	97	57 Å²	57	63%	0.63	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-21.4	176	-25.9	35	0	0	0	114.2	W478 Y483	W478-P480 HydrophobicContact CH2-CG 3.92Å; W478-P480 HydrophobicContact CZ3-CG 4.12Å; P480-Y483 WeakPolarHBondContact O-CD1 3.44Å; P480-Y483 WeakPolarHBondContact O-CE1 3.35Å
481	T	94.4	Very high	94.5	Very high	83 Å²	83	56.7 Å²	56.7	51%	0.509	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	5.6	-180	53.2	0	0	0	0	113.5	T479 Y483 I484	T479-T481 PolarHBondContact O-N 3.27Å; T479-T481 PolarHBondContact OG1-OG1 2.88Å; T481-Y483 PolarHBondContact O-N 2.84Å; T481-I484 HydrophobicContact CG2-CD1 4.14Å; T481-I484 WeakPolarHBondContact O-CB 3.46Å; T481-I484 PolarHBondContact O-N 2.86Å
482	L	94.9	Very high	94.7	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-56.1	-36.1	-178.3	-175.6	151.2	0	0	0	112.3	T479 I484 R485 L486 A501 A508 F509	T479-L482 VanDerWaalsContact O-CB 3.25Å; T479-L482 WeakPolarHBondContact O-CB 3.28Å; T479-L482 PolarHBondContact O-N 2.88Å; T479-L482 PolarHBondContact OG1-N 3.15Å; L482-I484 PolarHBondContact O-N 3.01Å; L482-R485 WeakPolarHBondContact O-CB 3.29Å; L482-R485 PolarHBondContact O-N 3.48Å; L482-R485 VanDerWaalsContact O-N 3.09Å; L482-L486 HydrophobicContact CD2-CD1 3.69Å; L482-L486 HydrophobicContact CD2-CG 3.97Å; L482-L486 PolarHBondContact O-N 2.84Å; L482-A501 HydrophobicContact CB-CB 4.37Å; L482-A501 HydrophobicContact CD2-CB 3.66Å; L482-A508 HydrophobicContact CD2-CB 4.13Å; L482-F509 HydrophobicContact CD1-CE2 3.93Å; L482-F509 HydrophobicContact CD2-CE2 4.19Å; L482-F509 HydrophobicContact CD2-CZ 4.26Å; L482-F509 HydrophobicContact CG-CE2 3.98Å; L482-F509 HydrophobicContact CG-CZ 4.08Å
483	Y	96.9	Very high	94.7	Very high	62 Å²	62	56.9 Å²	56.9	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-58	-33.1	178.5	77.5	-86.6	0	0	0	112.9	P480 T481 R485 L486 V487 E494 A497 Q498	P480-Y483 WeakPolarHBondContact O-CD1 3.44Å; P480-Y483 WeakPolarHBondContact O-CE1 3.35Å; T481-Y483 PolarHBondContact O-N 2.84Å; Y483-R485 PolarHBondContact O-N 2.96Å; Y483-L486 WeakPolarHBondContact O-CB 3.39Å; Y483-L486 PolarHBondContact O-N 3.42Å; Y483-V487 WeakPolarHBondContact O-CG2 3.25Å; Y483-V487 PolarHBondContact O-N 2.76Å; Y483-E494 HydrophobicContact CD2-CG 4.31Å; Y483-E494 HydrophobicContact CE2-CG 4.14Å; Y483-A497 WeakPolarHBondContact CB-O 3.07Å; Y483-Q498 HydrophobicContact CD1-CG 4.22Å; Y483-Q498 HydrophobicContact CD2-CG 3.68Å; Y483-Q498 HydrophobicContact CE2-CG 4.19Å; Y483-Q498 HydrophobicContact CG-CG 3.71Å
484	I	97.2	Very high	94.8	Very high	62 Å²	62	61.1 Å²	61.1	32%	0.318	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-40.4	178.9	-59.3	177.7	0	0	0	110	T481 L482 V487 Q488	T481-I484 HydrophobicContact CG2-CD1 4.14Å; T481-I484 WeakPolarHBondContact O-CB 3.46Å; T481-I484 PolarHBondContact O-N 2.86Å; L482-I484 PolarHBondContact O-N 3.01Å; I484-V487 PolarHBondContact O-N 3.2Å; I484-Q488 HydrophobicContact CG2-CG 4.31Å; I484-Q488 WeakPolarHBondContact O-CB 3.48Å; I484-Q488 VanDerWaalsContact O-CG 3.27Å; I484-Q488 WeakPolarHBondContact O-CG 3.41Å; I484-Q488 PolarHBondContact O-N 2.91Å
485	R	97	Very high	94.9	Very high	138 Å²	138	62.7 Å²	62.7	52%	0.521	32%	0.322	S	S	.	.	H	α-helix	trans	-68.5	-36.6	176.4	-67.8	-171.7	60	-168.7	-5.3	112.3	L482 Y483 V487 Q488 D489 F509	L482-R485 WeakPolarHBondContact O-CB 3.29Å; L482-R485 PolarHBondContact O-N 3.48Å; L482-R485 VanDerWaalsContact O-N 3.09Å; Y483-R485 PolarHBondContact O-N 2.96Å; R485-V487 VanDerWaalsContact C-N 3.31Å; R485-V487 PolarHBondContact O-N 2.74Å; R485-Q488 PolarHBondContact O-N 2.88Å; R485-D489 IonicContact NE-OD2 3.69Å; R485-D489 IonicContact NH2-OD2 3.69Å; R485-D489 PolarHBondContact NH2-OD2 3.37Å; R485-D489 WeakPolarHBondContact O-CB 3.02Å; R485-D489 VanDerWaalsContact O-CG 3.23Å; R485-D489 PolarHBondContact O-N 2.79Å; R485-F509 HydrophobicContact CB-CE1 4.11Å; R485-F509 HydrophobicContact CB-CZ 4.09Å
486	L	97.3	Very high	95	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-62.9	-40.1	175	-66.1	173.1	0	0	0	111.3	L482 Y483 Y490 L492 A497 L500 A501 A508 F509 A512	L482-L486 HydrophobicContact CD2-CD1 3.69Å; L482-L486 HydrophobicContact CD2-CG 3.97Å; L482-L486 PolarHBondContact O-N 2.84Å; Y483-L486 WeakPolarHBondContact O-CB 3.39Å; Y483-L486 PolarHBondContact O-N 3.42Å; L486-Y490 HydrophobicContact CD2-CD2 4.47Å; L486-Y490 WeakPolarHBondContact O-CB 3.44Å; L486-Y490 PolarHBondContact O-N 2.99Å; L486-L492 HydrophobicContact CB-CD1 4.01Å; L486-A497 HydrophobicContact CB-CB 3.84Å; L486-A497 HydrophobicContact CD1-CB 4.45Å; L486-A497 WeakPolarHBondContact CD1-O 3.4Å; L486-L500 HydrophobicContact CD1-CB 4.1Å; L486-A501 HydrophobicContact CD1-CB 4.28Å; L486-A508 HydrophobicContact CD1-CB 3.72Å; L486-A508 HydrophobicContact CD2-CB 4.23Å; L486-F509 HydrophobicContact CD2-CD1 3.54Å; L486-F509 HydrophobicContact CD2-CE1 3.71Å; L486-F509 HydrophobicContact CD2-CG 4.18Å; L486-F509 HydrophobicContact CD2-CZ 4.46Å; L486-F509 HydrophobicContact CG-CE1 4.31Å; L486-A512 HydrophobicContact CD2-CB 3.99Å
487	V	97.4	Very high	95.3	Very high	32 Å²	32	55.9 Å²	55.9	19%	0.194	29%	0.292	C	S	.	.	H	α-helix	trans	-64.3	-50.7	173.7	177.3	0	0	0	0	110.8	Y483 I484 R485 G491 A497 W522	Y483-V487 WeakPolarHBondContact O-CG2 3.25Å; Y483-V487 PolarHBondContact O-N 2.76Å; I484-V487 PolarHBondContact O-N 3.2Å; R485-V487 VanDerWaalsContact C-N 3.31Å; R485-V487 PolarHBondContact O-N 2.74Å; V487-G491 WeakPolarHBondContact O-CA 3.27Å; V487-G491 PolarHBondContact O-N 3.16Å; V487-A497 HydrophobicContact CG2-CB 3.53Å; V487-W522 HydrophobicContact CG1-CH2 3.76Å; V487-W522 HydrophobicContact CG1-CZ2 4.07Å
488	Q	96.4	Very high	95.8	Very high	142 Å²	142	56.1 Å²	56.1	66%	0.664	28%	0.276	S	S	*	.	H	α-helix	trans	-70.4	-43.6	-174.4	-72.4	174.8	-15.5	0	0	113.6	I484 R485	I484-Q488 HydrophobicContact CG2-CG 4.31Å; I484-Q488 WeakPolarHBondContact O-CB 3.48Å; I484-Q488 VanDerWaalsContact O-CG 3.27Å; I484-Q488 WeakPolarHBondContact O-CG 3.41Å; I484-Q488 PolarHBondContact O-N 2.91Å; R485-Q488 PolarHBondContact O-N 2.88Å
489	D	96.1	Very high	96	Very high	88 Å²	88	53.7 Å²	53.7	47%	0.471	27%	0.267	S	S	.	.	H	α-helix	trans	-82.4	-29.1	-172.1	-62.1	-16	0	0	0	111.7	R485	R485-D489 IonicContact NE-OD2 3.69Å; R485-D489 IonicContact NH2-OD2 3.69Å; R485-D489 PolarHBondContact NH2-OD2 3.37Å; R485-D489 WeakPolarHBondContact O-CB 3.02Å; R485-D489 VanDerWaalsContact O-CG 3.23Å; R485-D489 PolarHBondContact O-N 2.79Å
490	Y	96.3	Very high	96.2	Very high	58 Å²	58	50.6 Å²	50.6	23%	0.227	25%	0.248	C	C	.	.	H	α-helix	trans	-119	-16.8	-173.7	-61.4	-96.1	0	0	0	114.3	L486 F509 A512 K513 V525	L486-Y490 HydrophobicContact CD2-CD2 4.47Å; L486-Y490 WeakPolarHBondContact O-CB 3.44Å; L486-Y490 PolarHBondContact O-N 2.99Å; Y490-F509 AromaticContact CE2-CD1 3.79Å; Y490-F509 HydrophobicContact CE2-CD1 3.79Å; Y490-F509 HydrophobicContact CE2-CE1 4.38Å; Y490-A512 HydrophobicContact CD1-CB 3.85Å; Y490-A512 HydrophobicContact CD2-CB 4.04Å; Y490-A512 HydrophobicContact CE1-CB 4.04Å; Y490-A512 HydrophobicContact CE2-CB 4.26Å; Y490-A512 HydrophobicContact CG-CB 3.86Å; Y490-K513 HydrophobicContact CE1-CB 4.45Å; Y490-K513 HydrophobicContact CE1-CG 3.72Å; Y490-V525 WeakPolarHBondContact O-CG2 3.16Å
491	G	96.3	Very high	96.6	Very high	5 Å²	5	46.2 Å²	46.2	5%	0.052	22%	0.22	C	C	.	.			trans	72.7	33	-174.6	0	0	0	0	0	113.4	V487 I524	V487-G491 WeakPolarHBondContact O-CA 3.27Å; V487-G491 PolarHBondContact O-N 3.16Å; G491-I524 PolarHBondContact O-N 3.21Å
492	L	96.9	Very high	96.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.213	C	C	.	.			trans	-73.9	148.8	171.1	-75.3	165.5	0	0	0	110.7	L486 V496 A497 L500 A512 W522 V525 I536	L486-L492 HydrophobicContact CB-CD1 4.01Å; L492-V496 HydrophobicContact CD2-CG1 4.03Å; L492-A497 HydrophobicContact CB-CB 4.32Å; L492-L500 HydrophobicContact CD1-CD1 3.99Å; L492-A512 HydrophobicContact CD1-CB 3.8Å; L492-W522 WeakPolarHBondContact O-CH2 3.49Å; L492-W522 VanDerWaalsContact O-CZ2 3.25Å; L492-W522 WeakPolarHBondContact O-CZ2 3.44Å; L492-V525 HydrophobicContact CD2-CG2 3.71Å; L492-V525 HydrophobicContact CG-CG2 3.82Å; L492-I536 HydrophobicContact CD2-CD1 4.46Å
493	E	96.4	Very high	96.7	Very high	59 Å²	59	45.2 Å²	45.2	28%	0.276	22%	0.215	S	C	.	.			trans	-62	145.6	168.5	-165.1	-179.5	171.1	0	0	110.8	E495 V496 A497 P523 R528	E493-E495 VanDerWaalsContact C-N 3.32Å; E493-E495 PolarHBondContact O-N 2.97Å; E493-V496 HydrophobicContact CB-CB 4.42Å; E493-V496 HydrophobicContact CB-CG2 4.22Å; E493-V496 PolarHBondContact O-N 2.99Å; E493-A497 WeakPolarHBondContact O-CB 3.34Å; E493-A497 PolarHBondContact O-N 2.89Å; E493-P523 HydrophobicContact CB-CB 3.96Å; E493-P523 HydrophobicContact CB-CG 4.21Å; E493-R528 IonicContact OE1-CZ 2.71Å; E493-R528 IonicContact OE1-NH2 3.86Å; E493-R528 PolarHBondContact OE1-NH2 2.85Å; E493-R528 IonicContact OE2-CZ 2.77Å; E493-R528 VanDerWaalsContact OE2-CZ 3.26Å; E493-R528 IonicContact OE2-NE 3.92Å; E493-R528 PolarHBondContact OE2-NE 3.12Å; E493-R528 VanDerWaalsContact OE2-NE 3.11Å; E493-R528 IonicContact OE2-NH2 3.62Å; E493-R528 PolarHBondContact OE2-NH2 3.26Å
494	E	96.1	Very high	96.7	Very high	107 Å²	107	42.5 Å²	42.5	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-56.1	-45.3	-176.4	-177.6	179.1	178.2	0	0	112.5	Y483 V496 A497 Q498	Y483-E494 HydrophobicContact CD2-CG 4.31Å; Y483-E494 HydrophobicContact CE2-CG 4.14Å; E494-V496 PolarHBondContact O-N 3.47Å; E494-A497 PolarHBondContact O-N 2.95Å; E494-Q498 HydrophobicContact CG-CG 4.44Å; E494-Q498 WeakPolarHBondContact O-CG 3.41Å; E494-Q498 PolarHBondContact O-N 3.3Å; E494-Q498 PolarHBondContact OE1-NE2 2.63Å
495	E	95.6	Very high	96.7	Very high	41 Å²	41	39.6 Å²	39.6	19%	0.192	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-45.3	-179.2	-168.2	-174	-166.7	0	0	112.2	K351 E493 A497 Q498 H499 R528 P534	K351-E495 WeakPolarHBondContact CE-OE1 3.39Å; K351-E495 VanDerWaalsContact NZ-CG 3.28Å; K351-E495 IonicContact NZ-OE1 2.87Å; K351-E495 PolarHBondContact NZ-OE1 3.37Å; E493-E495 VanDerWaalsContact C-N 3.32Å; E493-E495 PolarHBondContact O-N 2.97Å; E495-A497 VanDerWaalsContact C-N 3.35Å; E495-Q498 PolarHBondContact O-N 3.04Å; E495-H499 WeakPolarHBondContact O-CB 3.39Å; E495-H499 PolarHBondContact O-N 2.58Å; E495-R528 IonicContact OE2-CZ 3.84Å; E495-R528 IonicContact OE2-NH1 3.29Å; E495-R528 PolarHBondContact OE2-NH1 3.46Å; E495-R528 IonicContact OE2-NH2 3.49Å; E495-R528 PolarHBondContact OE2-NH2 3.16Å; E495-P534 HydrophobicContact CG-CB 3.97Å; E495-P534 HydrophobicContact CG-CG 4.47Å
496	V	97.3	Very high	96.6	Very high	3 Å²	3	34 Å²	34	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-63.1	-43.9	175.9	176.2	0	0	0	0	110.1	L492 E493 E494 Q498 H499 L500 R528 P534 I536	L492-V496 HydrophobicContact CD2-CG1 4.03Å; E493-V496 HydrophobicContact CB-CB 4.42Å; E493-V496 HydrophobicContact CB-CG2 4.22Å; E493-V496 PolarHBondContact O-N 2.99Å; E494-V496 PolarHBondContact O-N 3.47Å; V496-Q498 PolarHBondContact O-N 2.96Å; V496-H499 PolarHBondContact O-N 3.28Å; V496-L500 HydrophobicContact CG1-CD1 4.15Å; V496-L500 HydrophobicContact CG1-CG 4.27Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.45Å; V496-L500 PolarHBondContact O-N 3.43Å; V496-R528 HydrophobicContact CG2-CG 4.49Å; V496-P534 HydrophobicContact CG2-CB 4.2Å; V496-I536 HydrophobicContact CG1-CD1 4.24Å; V496-I536 HydrophobicContact CG1-CG2 3.62Å; V496-I536 HydrophobicContact CG2-CG2 4.17Å
497	A	97.9	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.5	-40.9	178.3	0	0	0	0	0	112.4	Y483 L486 V487 L492 E493 E494 E495 A501	Y483-A497 WeakPolarHBondContact CB-O 3.07Å; L486-A497 HydrophobicContact CB-CB 3.84Å; L486-A497 HydrophobicContact CD1-CB 4.45Å; L486-A497 WeakPolarHBondContact CD1-O 3.4Å; V487-A497 HydrophobicContact CG2-CB 3.53Å; L492-A497 HydrophobicContact CB-CB 4.32Å; E493-A497 WeakPolarHBondContact O-CB 3.34Å; E493-A497 PolarHBondContact O-N 2.89Å; E494-A497 PolarHBondContact O-N 2.95Å; E495-A497 VanDerWaalsContact C-N 3.35Å; A497-A501 VanDerWaalsContact O-CB 3.29Å; A497-A501 WeakPolarHBondContact O-CB 3.46Å; A497-A501 PolarHBondContact O-N 3.24Å
498	Q	96.4	Very high	96.5	Very high	68 Å²	68	34.7 Å²	34.7	32%	0.318	18%	0.175	S	C	.	.	H	α-helix	trans	-62.8	-48.1	175.1	-73.5	175.2	2.7	0	0	110.9	Y483 E494 E495 V496 L500 A501 T502	Y483-Q498 HydrophobicContact CD1-CG 4.22Å; Y483-Q498 HydrophobicContact CD2-CG 3.68Å; Y483-Q498 HydrophobicContact CE2-CG 4.19Å; Y483-Q498 HydrophobicContact CG-CG 3.71Å; E494-Q498 HydrophobicContact CG-CG 4.44Å; E494-Q498 WeakPolarHBondContact O-CG 3.41Å; E494-Q498 PolarHBondContact O-N 3.3Å; E494-Q498 PolarHBondContact OE1-NE2 2.63Å; E495-Q498 PolarHBondContact O-N 3.04Å; V496-Q498 PolarHBondContact O-N 2.96Å; Q498-L500 PolarHBondContact O-N 2.9Å; Q498-A501 PolarHBondContact O-N 3.19Å; Q498-T502 WeakPolarHBondContact O-CG2 3.28Å; Q498-T502 PolarHBondContact O-N 3.27Å; Q498-T502 PolarHBondContact O-OG1 3.35Å
499	H	96.5	Very high	96.5	Very high	13 Å²	13	29.6 Å²	29.6	6%	0.06	15%	0.151	C	C	.	.	H	α-helix	trans	-56.4	-49.6	175.2	166.1	58.6	0	0	0	112.2	E495 V496 A501 T502 A503 P534 Y535 E539	E495-H499 WeakPolarHBondContact O-CB 3.39Å; E495-H499 PolarHBondContact O-N 2.58Å; V496-H499 PolarHBondContact O-N 3.28Å; H499-A501 VanDerWaalsContact C-N 3.3Å; H499-A501 PolarHBondContact O-N 2.8Å; H499-T502 PolarHBondContact O-N 2.93Å; H499-T502 PolarHBondContact O-OG1 3.15Å; H499-A503 VanDerWaalsContact O-CB 3.26Å; H499-A503 WeakPolarHBondContact O-CB 3.21Å; H499-A503 PolarHBondContact O-N 3.45Å; H499-P534 HydrophobicContact CB-CB 3.78Å; H499-P534 HydrophobicContact CB-CG 3.73Å; H499-P534 PolarHBondContact CD2-O 3.17Å; H499-Y535 AromaticContact CE1-CD1 3.69Å; H499-Y535 AromaticContact CE1-CE1 3.38Å; H499-Y535 WeakPolarHBondContact CE1-CE1 2.78Å; H499-Y535 AromaticContact ND1-CE1 3.97Å; H499-Y535 AromaticContact NE2-CD1 3.43Å; H499-Y535 WeakPolarHBondContact NE2-CD1 3.44Å; H499-Y535 AromaticContact NE2-CE1 3.65Å; H499-E539 IonicContact CD2-OE1 2.65Å; H499-E539 IonicContact CD2-OE2 3.84Å; H499-E539 IonicContact CE1-OE1 3.82Å; H499-E539 VanDerWaalsContact NE2-CD 3.34Å; H499-E539 IonicContact NE2-OE1 2.7Å; H499-E539 PolarHBondContact NE2-OE1 3.18Å; H499-E539 IonicContact NE2-OE2 3.35Å; H499-E539 PolarHBondContact NE2-OE2 3.3Å
500	L	97.9	Very high	96.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-39.7	179.9	-66.6	-177.4	0	0	0	111.7	L486 L492 V496 Q498 T502 Y504 A508 V511 I536 E539	L486-L500 HydrophobicContact CD1-CB 4.1Å; L492-L500 HydrophobicContact CD1-CD1 3.99Å; V496-L500 HydrophobicContact CG1-CD1 4.15Å; V496-L500 HydrophobicContact CG1-CG 4.27Å; V496-L500 VanDerWaalsContact O-CG 3.31Å; V496-L500 WeakPolarHBondContact O-CG 3.45Å; V496-L500 PolarHBondContact O-N 3.43Å; Q498-L500 PolarHBondContact O-N 2.9Å; L500-T502 VanDerWaalsContact C-N 3.34Å; L500-T502 PolarHBondContact O-N 3.06Å; L500-Y504 HydrophobicContact CB-CD2 4.48Å; L500-Y504 HydrophobicContact CD2-CD2 3.8Å; L500-Y504 HydrophobicContact CD2-CE2 3.65Å; L500-Y504 PolarHBondContact O-N 2.84Å; L500-A508 HydrophobicContact CB-CB 3.98Å; L500-A508 WeakPolarHBondContact O-CB 3.44Å; L500-V511 HydrophobicContact CD1-CG1 4.29Å; L500-V511 HydrophobicContact CD2-CB 4.5Å; L500-V511 HydrophobicContact CD2-CG1 3.85Å; L500-I536 HydrophobicContact CD1-CD1 4.03Å; L500-E539 HydrophobicContact CD2-CG 3.79Å
501	A	97.1	Very high	96.5	Very high	5 Å²	5	24.9 Å²	24.9	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-65.3	-34.3	178.4	0	0	0	0	0	113	W478 L482 L486 A497 Q498 H499 G505	W478-A501 VanDerWaalsContact CD1-O 3.29Å; W478-A501 PolarHBondContact NE1-O 3.33Å; L482-A501 HydrophobicContact CB-CB 4.37Å; L482-A501 HydrophobicContact CD2-CB 3.66Å; L486-A501 HydrophobicContact CD1-CB 4.28Å; A497-A501 VanDerWaalsContact O-CB 3.29Å; A497-A501 WeakPolarHBondContact O-CB 3.46Å; A497-A501 PolarHBondContact O-N 3.24Å; Q498-A501 PolarHBondContact O-N 3.19Å; H499-A501 VanDerWaalsContact C-N 3.3Å; H499-A501 PolarHBondContact O-N 2.8Å; A501-G505 VanDerWaalsContact O-CA 3.3Å; A501-G505 WeakPolarHBondContact O-CA 3.49Å; A501-G505 PolarHBondContact O-N 2.87Å
502	T	94.9	Very high	96.5	Very high	59 Å²	59	24.8 Å²	24.8	36%	0.362	13%	0.128	S	C	.	.	H	α-helix	trans	-80.4	-43.4	175.6	54.9	0	0	0	0	111.4	H156 Q498 H499 L500	H156-T502 CarbonylContact C-O 3.57Å; H156-T502 VanDerWaalsContact C-O 3.22Å; H156-T502 PolarHBondContact CD2-O 3.4Å; H156-T502 CarbonylContact O-C 3.58Å; Q498-T502 WeakPolarHBondContact O-CG2 3.28Å; Q498-T502 PolarHBondContact O-N 3.27Å; Q498-T502 PolarHBondContact O-OG1 3.35Å; H499-T502 PolarHBondContact O-N 2.93Å; H499-T502 PolarHBondContact O-OG1 3.15Å; L500-T502 VanDerWaalsContact C-N 3.34Å; L500-T502 PolarHBondContact O-N 3.06Å
503	A	96.3	Very high	96.5	Very high	8 Å²	8	31 Å²	31	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-75.1	-35.5	-175	0	0	0	0	0	114.5	L157 H499	L157-A503 WeakPolarHBondContact CD2-O 3.39Å; H499-A503 VanDerWaalsContact O-CB 3.26Å; H499-A503 WeakPolarHBondContact O-CB 3.21Å; H499-A503 PolarHBondContact O-N 3.45Å
504	Y	97.4	Very high	96.5	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.02	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	-9.9	-174.2	-57.2	-84.6	0	0	0	113.6	G474 L500 G506 K507 V511 E539 Y542	G474-Y504 WeakPolarHBondContact CA-O 3.42Å; L500-Y504 HydrophobicContact CB-CD2 4.48Å; L500-Y504 HydrophobicContact CD2-CD2 3.8Å; L500-Y504 HydrophobicContact CD2-CE2 3.65Å; L500-Y504 PolarHBondContact O-N 2.84Å; Y504-G506 PolarHBondContact O-N 3.15Å; Y504-K507 WeakPolarHBondContact O-CA 3.42Å; Y504-K507 VanDerWaalsContact O-CB 3.31Å; Y504-K507 WeakPolarHBondContact O-CB 3.28Å; Y504-K507 PolarHBondContact O-N 3.42Å; Y504-V511 HydrophobicContact CD1-CG2 3.95Å; Y504-V511 HydrophobicContact CD2-CG2 4.05Å; Y504-V511 HydrophobicContact CE1-CG2 4.21Å; Y504-V511 HydrophobicContact CE2-CG2 4.32Å; Y504-V511 HydrophobicContact CG-CG2 3.87Å; Y504-E539 HydrophobicContact CE2-CG 3.91Å; Y504-E539 VanDerWaalsContact CE2-OE1 3.24Å; Y504-E539 WeakPolarHBondContact CE2-OE1 3.41Å; Y504-E539 WeakPolarHBondContact OH-CG 3.35Å; Y504-E539 PolarHBondContact OH-OE1 2.74Å; Y504-Y542 AromaticContact CD1-CD1 3.82Å; Y504-Y542 HydrophobicContact CD1-CD1 3.82Å; Y504-Y542 AromaticContact CD1-CE1 3.76Å; Y504-Y542 HydrophobicContact CD1-CE1 3.76Å; Y504-Y542 AromaticContact CE1-CD1 3.62Å; Y504-Y542 HydrophobicContact CE1-CD1 3.62Å; Y504-Y542 HydrophobicContact CE1-CE1 4.01Å
505	G	96.8	Very high	96.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	58.1	-128.8	-180	0	0	0	0	0	112.5	H156 G474 A501 K507 A508	H156-G505 PolarHBondContact CD2-N 3.29Å; G474-G505 CarbonylContact O-C 3.58Å; G474-G505 WeakPolarHBondContact O-CA 3.4Å; A501-G505 VanDerWaalsContact O-CA 3.3Å; A501-G505 WeakPolarHBondContact O-CA 3.49Å; A501-G505 PolarHBondContact O-N 2.87Å; G505-K507 PolarHBondContact O-N 2.79Å; G505-A508 WeakPolarHBondContact O-CB 3.36Å; G505-A508 PolarHBondContact O-N 2.75Å
506	G	94.7	Very high	96.3	Very high	20 Å²	20	28.9 Å²	28.9	21%	0.206	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.7	-20	174.2	0	0	0	0	0	114.4	G474 Y504 A508	G474-G506 PolarHBondContact O-N 2.64Å; Y504-G506 PolarHBondContact O-N 3.15Å; G506-A508 VanDerWaalsContact C-N 3.28Å
507	K	95.6	Very high	96.2	Very high	48 Å²	48	33.5 Å²	33.5	21%	0.209	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-81.1	-6.8	175.6	-62.4	-67	175.4	176.4	0	113.6	E473 Y504 G505 F509 D510 V511 Y542	E473-K507 WeakPolarHBondContact OE1-CE 3.47Å; E473-K507 IonicContact OE1-NZ 3.79Å; Y504-K507 WeakPolarHBondContact O-CA 3.42Å; Y504-K507 VanDerWaalsContact O-CB 3.31Å; Y504-K507 WeakPolarHBondContact O-CB 3.28Å; Y504-K507 PolarHBondContact O-N 3.42Å; G505-K507 PolarHBondContact O-N 2.79Å; K507-F509 PolarHBondContact O-N 3.12Å; K507-D510 WeakPolarHBondContact CD-OD2 3.14Å; K507-D510 IonicContact NZ-OD2 2.71Å; K507-D510 WeakPolarHBondContact O-CB 3.5Å; K507-D510 PolarHBondContact O-N 2.98Å; K507-V511 PolarHBondContact O-N 3.37Å; K507-Y542 WeakPolarHBondContact CB-OH 3.37Å
508	A	97.3	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-33.2	174.1	0	0	0	0	0	112.8	L482 L486 L500 G505 G506 D510 V511 A512	L482-A508 HydrophobicContact CD2-CB 4.13Å; L486-A508 HydrophobicContact CD1-CB 3.72Å; L486-A508 HydrophobicContact CD2-CB 4.23Å; L500-A508 HydrophobicContact CB-CB 3.98Å; L500-A508 WeakPolarHBondContact O-CB 3.44Å; G505-A508 WeakPolarHBondContact O-CB 3.36Å; G505-A508 PolarHBondContact O-N 2.75Å; G506-A508 VanDerWaalsContact C-N 3.28Å; A508-D510 VanDerWaalsContact C-N 3.31Å; A508-D510 PolarHBondContact O-N 3Å; A508-V511 PolarHBondContact O-N 2.97Å; A508-A512 WeakPolarHBondContact O-CB 3.37Å; A508-A512 PolarHBondContact O-N 3.11Å
509	F	96.5	Very high	95.7	Very high	35 Å²	35	35.6 Å²	35.6	15%	0.154	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-35.4	175.2	-66.6	-69.4	0	0	0	112.6	L482 R485 L486 Y490 K507 A512 K513	L482-F509 HydrophobicContact CD1-CE2 3.93Å; L482-F509 HydrophobicContact CD2-CE2 4.19Å; L482-F509 HydrophobicContact CD2-CZ 4.26Å; L482-F509 HydrophobicContact CG-CE2 3.98Å; L482-F509 HydrophobicContact CG-CZ 4.08Å; R485-F509 HydrophobicContact CB-CE1 4.11Å; R485-F509 HydrophobicContact CB-CZ 4.09Å; L486-F509 HydrophobicContact CD2-CD1 3.54Å; L486-F509 HydrophobicContact CD2-CE1 3.71Å; L486-F509 HydrophobicContact CD2-CG 4.18Å; L486-F509 HydrophobicContact CD2-CZ 4.46Å; L486-F509 HydrophobicContact CG-CE1 4.31Å; Y490-F509 AromaticContact CE2-CD1 3.79Å; Y490-F509 HydrophobicContact CE2-CD1 3.79Å; Y490-F509 HydrophobicContact CE2-CE1 4.38Å; K507-F509 PolarHBondContact O-N 3.12Å; F509-A512 PolarHBondContact O-N 2.91Å; F509-K513 VanDerWaalsContact O-CG 3.23Å; F509-K513 WeakPolarHBondContact O-CG 3.15Å; F509-K513 PolarHBondContact O-N 3.46Å
510	D	95.8	Very high	95.5	Very high	47 Å²	47	41 Å²	41	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-71.1	-37.6	178.4	-63.2	-28.6	0	0	0	110.4	K507 A508 K513 M514 Y542	K507-D510 WeakPolarHBondContact CD-OD2 3.14Å; K507-D510 IonicContact NZ-OD2 2.71Å; K507-D510 WeakPolarHBondContact O-CB 3.5Å; K507-D510 PolarHBondContact O-N 2.98Å; A508-D510 VanDerWaalsContact C-N 3.31Å; A508-D510 PolarHBondContact O-N 3Å; D510-K513 IonicContact OD1-NZ 3.03Å; D510-K513 PolarHBondContact OD1-NZ 3.09Å; D510-M514 HydrophobicContact CB-CE 4.43Å; D510-M514 VanDerWaalsContact O-CE 3.29Å; D510-M514 WeakPolarHBondContact O-CE 3.49Å; D510-M514 WeakPolarHBondContact O-CG 3.36Å; D510-M514 PolarHBondContact O-N 2.85Å; D510-Y542 HydrophobicContact CB-CE2 3.93Å
511	V	97.3	Very high	95.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-46.8	171.6	-176.2	0	0	0	0	110.8	L500 Y504 K507 A508 K513 M514 A515 A538 E539 Y542	L500-V511 HydrophobicContact CD1-CG1 4.29Å; L500-V511 HydrophobicContact CD2-CB 4.5Å; L500-V511 HydrophobicContact CD2-CG1 3.85Å; Y504-V511 HydrophobicContact CD1-CG2 3.95Å; Y504-V511 HydrophobicContact CD2-CG2 4.05Å; Y504-V511 HydrophobicContact CE1-CG2 4.21Å; Y504-V511 HydrophobicContact CE2-CG2 4.32Å; Y504-V511 HydrophobicContact CG-CG2 3.87Å; K507-V511 PolarHBondContact O-N 3.37Å; A508-V511 PolarHBondContact O-N 2.97Å; V511-K513 VanDerWaalsContact C-N 3.32Å; V511-K513 PolarHBondContact O-N 3.21Å; V511-M514 WeakPolarHBondContact O-CB 3.47Å; V511-M514 PolarHBondContact O-N 3.49Å; V511-A515 PolarHBondContact O-N 2.89Å; V511-A538 HydrophobicContact CG1-CB 4.12Å; V511-E539 HydrophobicContact CG1-CG 3.92Å; V511-Y542 HydrophobicContact CG2-CD1 3.85Å; V511-Y542 HydrophobicContact CG2-CD2 3.64Å; V511-Y542 HydrophobicContact CG2-CE1 4.28Å; V511-Y542 HydrophobicContact CG2-CE2 4.11Å; V511-Y542 HydrophobicContact CG2-CG 3.52Å
512	A	96.9	Very high	94.9	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-37.7	-179.8	0	0	0	0	0	112.7	L486 Y490 L492 A508 F509 M514 A515	L486-A512 HydrophobicContact CD2-CB 3.99Å; Y490-A512 HydrophobicContact CD1-CB 3.85Å; Y490-A512 HydrophobicContact CD2-CB 4.04Å; Y490-A512 HydrophobicContact CE1-CB 4.04Å; Y490-A512 HydrophobicContact CE2-CB 4.26Å; Y490-A512 HydrophobicContact CG-CB 3.86Å; L492-A512 HydrophobicContact CD1-CB 3.8Å; A508-A512 WeakPolarHBondContact O-CB 3.37Å; A508-A512 PolarHBondContact O-N 3.11Å; F509-A512 PolarHBondContact O-N 2.91Å; A512-M514 PolarHBondContact O-N 2.87Å; A512-A515 VanDerWaalsContact O-CB 3.23Å; A512-A515 WeakPolarHBondContact O-CB 3.35Å; A512-A515 PolarHBondContact O-N 3.03Å
513	K	96.3	Very high	94.8	Very high	130 Å²	130	56.5 Å²	56.5	57%	0.565	29%	0.289	S	S	*	.	H	α-helix	trans	-62.3	-27.4	173.6	-71.5	166.2	-164.3	162.1	0	113.4	Y490 F509 D510 V511 A515	Y490-K513 HydrophobicContact CE1-CB 4.45Å; Y490-K513 HydrophobicContact CE1-CG 3.72Å; F509-K513 VanDerWaalsContact O-CG 3.23Å; F509-K513 WeakPolarHBondContact O-CG 3.15Å; F509-K513 PolarHBondContact O-N 3.46Å; D510-K513 IonicContact OD1-NZ 3.03Å; D510-K513 PolarHBondContact OD1-NZ 3.09Å; V511-K513 VanDerWaalsContact C-N 3.32Å; V511-K513 PolarHBondContact O-N 3.21Å; K513-A515 VanDerWaalsContact C-N 3.33Å
514	M	95.9	Very high	94.7	Very high	48 Å²	48	60.1 Å²	60.1	24%	0.236	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.5	177.3	-61.1	179.8	-140.3	0	0	112.4	D510 V511 A512 Q516 A538 Y542 K545	D510-M514 HydrophobicContact CB-CE 4.43Å; D510-M514 VanDerWaalsContact O-CE 3.29Å; D510-M514 WeakPolarHBondContact O-CE 3.49Å; D510-M514 WeakPolarHBondContact O-CG 3.36Å; D510-M514 PolarHBondContact O-N 2.85Å; V511-M514 WeakPolarHBondContact O-CB 3.47Å; V511-M514 PolarHBondContact O-N 3.49Å; A512-M514 PolarHBondContact O-N 2.87Å; M514-Q516 PolarHBondContact O-N 3.42Å; M514-A538 HydrophobicContact CB-CB 4.26Å; M514-Y542 HydrophobicContact CE-CD2 3.56Å; M514-Y542 HydrophobicContact CE-CE2 4.08Å; M514-Y542 HydrophobicContact SD-CD2 4.28Å; M514-K545 HydrophobicContact CE-CD 4.04Å; M514-K545 VanDerWaalsContact CE-NZ 3.28Å
515	A	95.9	Very high	94.6	Very high	17 Å²	17	60.8 Å²	60.8	14%	0.14	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-70.5	130.5	-177.8	0	0	0	0	0	112	V511 A512 K513 V525 I536 A538	V511-A515 PolarHBondContact O-N 2.89Å; A512-A515 VanDerWaalsContact O-CB 3.23Å; A512-A515 WeakPolarHBondContact O-CB 3.35Å; A512-A515 PolarHBondContact O-N 3.03Å; K513-A515 VanDerWaalsContact C-N 3.33Å; A515-V525 HydrophobicContact CB-CB 4.19Å; A515-V525 HydrophobicContact CB-CG2 4.2Å; A515-I536 HydrophobicContact CB-CD1 4.18Å; A515-A538 HydrophobicContact CB-CB 4.08Å
516	Q	92.5	Very high	94.4	Very high	98 Å²	98	61 Å²	61	46%	0.458	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-79.9	151.2	176.1	-64.1	-175.4	-0.7	0	0	111.3	M514 V525 G526	M514-Q516 PolarHBondContact O-N 3.42Å; Q516-V525 WeakPolarHBondContact O-CA 3.48Å; Q516-G526 PolarHBondContact O-N 3.49Å
517	V	94.4	Very high	94.5	Very high	101 Å²	101	63.6 Å²	63.6	61%	0.612	32%	0.319	S	S	*	.	B	Isolated β-bridge	trans	-62.4	137.9	170.5	-66.4	0	0	0	0	111.1	I524 V525 K527	V517-I524 VanDerWaalsContact CA-O 3.32Å; V517-I524 WeakPolarHBondContact CA-O 3.1Å; V517-V525 HydrophobicContact CG1-CG1 4.11Å; V517-K527 WeakPolarHBondContact O-CE 3.37Å
518	T	92.3	Very high	94.5	Very high	32 Å²	32	64 Å²	64	20%	0.196	32%	0.319	C	S	.	.			trans	-80.9	-26.2	-178.1	63.2	0	0	0	0	112.5	Q520 P523 I524 K527	T518-Q520 VanDerWaalsContact C-N 3.27Å; T518-Q520 PolarHBondContact OG1-N 3.2Å; T518-P523 HydrophobicContact CG2-CG 4.37Å; T518-P523 PolarHBondContact OG1-O 3.2Å; T518-I524 PolarHBondContact N-O 3.03Å; T518-I524 PolarHBondContact OG1-O 3.14Å; T518-K527 HydrophobicContact CG2-CG 4.27Å
519	G	91.8	Very high	94.4	Very high	80 Å²	80	64.6 Å²	64.6	83%	0.825	32%	0.322	S	S	*	.	S	Bend	trans	81.3	4.2	-168.6	0	0	0	0	0	113.7
520	Q	91.1	Very high	94.2	Very high	126 Å²	126	63.1 Å²	63.1	59%	0.589	32%	0.316	S	S	*	.	S	Bend	trans	-97	161.8	175.5	-60.3	179.4	-7.5	0	0	110.7	T518 W522	T518-Q520 VanDerWaalsContact C-N 3.27Å; T518-Q520 PolarHBondContact OG1-N 3.2Å; Q520-W522 VanDerWaalsContact C-N 3.28Å; Q520-W522 PolarHBondContact OE1-O 3.41Å
521	R	91.8	Very high	93.9	Very high	242 Å²	242	64.6 Å²	64.6	91%	0.913	33%	0.33	S	S	*	.	S	Bend	trans	-65.1	-36.5	171.9	-177	177.9	178.1	-179.1	0	111.5
522	W	90.6	Very high	93.5	Very high	130 Å²	130	70.2 Å²	70.2	49%	0.492	36%	0.356	S	S	.	.	S	Bend	trans	-156.7	138.3	175.8	-173.8	-98	0	0	0	109.1	V487 L492 Q520 I524	V487-W522 HydrophobicContact CG1-CH2 3.76Å; V487-W522 HydrophobicContact CG1-CZ2 4.07Å; L492-W522 WeakPolarHBondContact O-CH2 3.49Å; L492-W522 VanDerWaalsContact O-CZ2 3.25Å; L492-W522 WeakPolarHBondContact O-CZ2 3.44Å; Q520-W522 VanDerWaalsContact C-N 3.28Å; Q520-W522 PolarHBondContact OE1-O 3.41Å; W522-I524 HydrophobicContact CE3-CG1 4.29Å
523	P	94	Very high	93.4	Very high	18 Å²	18	70.5 Å²	70.5	12%	0.117	36%	0.357	C	S	.	.	S	Bend	cis	-66.1	151.5	-12.3	29.1	-34.1	0	0	0	111.7	E493 T518	E493-P523 HydrophobicContact CB-CB 3.96Å; E493-P523 HydrophobicContact CB-CG 4.21Å; T518-P523 HydrophobicContact CG2-CG 4.37Å; T518-P523 PolarHBondContact OG1-O 3.2Å
524	I	94	Very high	93.3	Very high	84 Å²	84	65 Å²	65	43%	0.431	34%	0.335	S	S	.	.	S	Bend	trans	-74.6	-42.9	-176.7	-57.8	178.9	0	0	0	110.4	G491 V517 T518 W522	G491-I524 PolarHBondContact O-N 3.21Å; V517-I524 VanDerWaalsContact CA-O 3.32Å; V517-I524 WeakPolarHBondContact CA-O 3.1Å; T518-I524 PolarHBondContact N-O 3.03Å; T518-I524 PolarHBondContact OG1-O 3.14Å; W522-I524 HydrophobicContact CE3-CG1 4.29Å
525	V	95.1	Very high	93.4	Very high	18 Å²	18	62.9 Å²	62.9	11%	0.109	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-128.8	163.2	179.9	-54.3	0	0	0	0	110.8	Y490 L492 A515 Q516 V517	Y490-V525 WeakPolarHBondContact O-CG2 3.16Å; L492-V525 HydrophobicContact CD2-CG2 3.71Å; L492-V525 HydrophobicContact CG-CG2 3.82Å; A515-V525 HydrophobicContact CB-CB 4.19Å; A515-V525 HydrophobicContact CB-CG2 4.2Å; Q516-V525 WeakPolarHBondContact O-CA 3.48Å; V517-V525 HydrophobicContact CG1-CG1 4.11Å
526	G	93.1	Very high	93.5	Very high	5 Å²	5	62 Å²	62	5%	0.052	32%	0.317	C	S	.	.			trans	94.2	71.7	175.5	0	0	0	0	0	112.6	Q516 R528	Q516-G526 PolarHBondContact O-N 3.49Å; G526-R528 PolarHBondContact O-N 2.95Å
527	K	95.9	Very high	93.8	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	30%	0.301	S	S	.	.			trans	-64.3	117.7	170	-65.6	-177.4	-176	172	0	109.6	V517 T518 I536 E537	V517-K527 WeakPolarHBondContact O-CE 3.37Å; T518-K527 HydrophobicContact CG2-CG 4.27Å; K527-I536 CarbonylContact O-C 3.51Å; K527-I536 VanDerWaalsContact O-CA 3.23Å; K527-I536 WeakPolarHBondContact O-CA 3.43Å; K527-I536 WeakPolarHBondContact O-CB 3.4Å; K527-E537 HydrophobicContact CB-CG 4.16Å; K527-E537 PolarHBondContact O-N 3.27Å
528	R	95.9	Very high	93.9	Very high	55 Å²	55	53.9 Å²	53.9	21%	0.208	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-66	146.4	174.8	-65.6	-177	178.6	-143	-7.1	110.6	E493 E495 V496 G526 V530 S531 Y535 I536	E493-R528 IonicContact OE1-CZ 2.71Å; E493-R528 IonicContact OE1-NH2 3.86Å; E493-R528 PolarHBondContact OE1-NH2 2.85Å; E493-R528 IonicContact OE2-CZ 2.77Å; E493-R528 VanDerWaalsContact OE2-CZ 3.26Å; E493-R528 IonicContact OE2-NE 3.92Å; E493-R528 PolarHBondContact OE2-NE 3.12Å; E493-R528 VanDerWaalsContact OE2-NE 3.11Å; E493-R528 IonicContact OE2-NH2 3.62Å; E493-R528 PolarHBondContact OE2-NH2 3.26Å; E495-R528 IonicContact OE2-CZ 3.84Å; E495-R528 IonicContact OE2-NH1 3.29Å; E495-R528 PolarHBondContact OE2-NH1 3.46Å; E495-R528 IonicContact OE2-NH2 3.49Å; E495-R528 PolarHBondContact OE2-NH2 3.16Å; V496-R528 HydrophobicContact CG2-CG 4.49Å; G526-R528 PolarHBondContact O-N 2.95Å; R528-V530 WeakPolarHBondContact CB-O 3.4Å; R528-S531 PolarHBondContact NH1-O 3.34Å; R528-Y535 CarbonylContact C-O 3.51Å; R528-Y535 VanDerWaalsContact CA-O 3.26Å; R528-Y535 WeakPolarHBondContact CA-O 3.48Å; R528-I536 HydrophobicContact CG-CG2 4.46Å
529	L	95.1	Very high	94.2	Very high	14 Å²	14	52.4 Å²	52.4	7%	0.073	26%	0.264	C	S	.	.	S	Bend	trans	-73.7	-34.4	172.8	-72.7	170.8	0	0	0	111.8	Y535 E537 V540 A572 R575 I576 I579	L529-Y535 PolarHBondContact N-O 2.88Å; L529-E537 HydrophobicContact CD2-CG 4.03Å; L529-V540 HydrophobicContact CD1-CG2 3.91Å; L529-V540 HydrophobicContact CD2-CG2 4Å; L529-A572 HydrophobicContact CB-CB 4.14Å; L529-R575 HydrophobicContact CD2-CG 4.14Å; L529-I576 HydrophobicContact CD1-CD1 4.3Å; L529-I576 HydrophobicContact CD1-CG1 4.1Å; L529-I576 HydrophobicContact CD2-CG1 4.05Å; L529-I579 HydrophobicContact CD2-CD1 4.39Å
530	V	93.7	Very high	94.5	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	23%	0.225	C	C	.	.	S	Bend	trans	-148.8	145.5	178	62.4	0	0	0	0	107.7	R528 E532 F533 L561 A568 A572	R528-V530 WeakPolarHBondContact CB-O 3.4Å; V530-E532 WeakPolarHBondContact CG2-OE2 3.39Å; V530-E532 PolarHBondContact O-N 2.82Å; V530-F533 HydrophobicContact CG1-CB 3.85Å; V530-F533 HydrophobicContact CG1-CD2 3.83Å; V530-F533 HydrophobicContact CG1-CG 4.27Å; V530-L561 HydrophobicContact CG1-CD1 4.38Å; V530-L561 HydrophobicContact CG1-CD2 4.1Å; V530-A568 HydrophobicContact CG1-CB 4.34Å; V530-A568 HydrophobicContact CG2-CB 4.06Å; V530-A572 HydrophobicContact CB-CB 4.46Å
531	S	88.1	Confident	94.9	Very high	78 Å²	78	44.6 Å²	44.6	55%	0.545	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-35.4	-162.7	74.1	0	0	0	0	113.9	R528 F533	R528-S531 PolarHBondContact NH1-O 3.34Å; S531-F533 PolarHBondContact O-N 3Å
532	E	88.8	Confident	95.2	Very high	117 Å²	117	33.8 Å²	33.8	55%	0.547	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-13.3	-171.5	-62.3	83.7	170.2	0	0	113.5	V530	V530-E532 WeakPolarHBondContact CG2-OE2 3.39Å; V530-E532 PolarHBondContact O-N 2.82Å
533	F	94.4	Very high	95.5	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.035	14%	0.143	C	C	.	.	S	Bend	trans	-120.3	147.7	-176.1	-68.6	-92.4	0	0	0	111.9	M352 V530 S531 Y535 L561 L564 N565 A568	M352-F533 HydrophobicContact CE-CE1 3.61Å; M352-F533 HydrophobicContact CE-CZ 3.56Å; V530-F533 HydrophobicContact CG1-CB 3.85Å; V530-F533 HydrophobicContact CG1-CD2 3.83Å; V530-F533 HydrophobicContact CG1-CG 4.27Å; S531-F533 PolarHBondContact O-N 3Å; F533-Y535 HydrophobicContact CB-CD2 3.49Å; F533-Y535 VanDerWaalsContact CB-CD2 3.49Å; F533-Y535 HydrophobicContact CB-CE2 3.69Å; F533-Y535 HydrophobicContact CB-CG 4.47Å; F533-Y535 HydrophobicContact CD1-CD2 4.45Å; F533-Y535 AromaticContact CD1-CE2 3.77Å; F533-Y535 HydrophobicContact CD1-CE2 3.77Å; F533-Y535 HydrophobicContact CG-CD2 4.22Å; F533-Y535 HydrophobicContact CG-CE2 4Å; F533-Y535 PolarHBondContact O-N 3.19Å; F533-L561 HydrophobicContact CB-CD1 4.28Å; F533-L561 HydrophobicContact CD1-CD1 3.96Å; F533-L561 HydrophobicContact CD2-CD1 3.71Å; F533-L561 HydrophobicContact CE1-CD1 4.2Å; F533-L561 HydrophobicContact CE2-CD1 3.98Å; F533-L561 HydrophobicContact CG-CD1 3.7Å; F533-L561 HydrophobicContact CZ-CD1 4.21Å; F533-L564 HydrophobicContact CD1-CD1 4.29Å; F533-L564 HydrophobicContact CE1-CB 3.95Å; F533-L564 HydrophobicContact CE1-CD1 4.04Å; F533-L564 HydrophobicContact CZ-CB 4.45Å; F533-N565 HydrophobicContact CE2-CB 3.92Å; F533-N565 HydrophobicContact CZ-CB 3.52Å; F533-A568 HydrophobicContact CD2-CB 3.78Å; F533-A568 HydrophobicContact CE2-CB 3.41Å; F533-A568 VanDerWaalsContact CE2-CB 3.41Å; F533-A568 HydrophobicContact CZ-CB 4.4Å
534	P	95.9	Very high	95.7	Very high	16 Å²	16	28.1 Å²	28.1	10%	0.104	15%	0.145	C	C	.	.			trans	-78	17.9	-175.3	33.3	-37.2	0	0	0	114.2	E495 V496 H499	E495-P534 HydrophobicContact CG-CB 3.97Å; E495-P534 HydrophobicContact CG-CG 4.47Å; V496-P534 HydrophobicContact CG2-CB 4.2Å; H499-P534 HydrophobicContact CB-CB 3.78Å; H499-P534 HydrophobicContact CB-CG 3.73Å; H499-P534 PolarHBondContact CD2-O 3.17Å
535	Y	97.2	Very high	95.8	Very high	2 Å²	2	30 Å²	30	1%	0.008	15%	0.15	C	C	.	.			trans	-84.9	128.5	-177.1	-54.1	-58.2	0	0	0	111.2	H499 R528 L529 F533 E539 T559 L561 L564	H499-Y535 AromaticContact CE1-CD1 3.69Å; H499-Y535 AromaticContact CE1-CE1 3.38Å; H499-Y535 WeakPolarHBondContact CE1-CE1 2.78Å; H499-Y535 AromaticContact ND1-CE1 3.97Å; H499-Y535 AromaticContact NE2-CD1 3.43Å; H499-Y535 WeakPolarHBondContact NE2-CD1 3.44Å; H499-Y535 AromaticContact NE2-CE1 3.65Å; R528-Y535 CarbonylContact C-O 3.51Å; R528-Y535 VanDerWaalsContact CA-O 3.26Å; R528-Y535 WeakPolarHBondContact CA-O 3.48Å; L529-Y535 PolarHBondContact N-O 2.88Å; F533-Y535 HydrophobicContact CB-CD2 3.49Å; F533-Y535 VanDerWaalsContact CB-CD2 3.49Å; F533-Y535 HydrophobicContact CB-CE2 3.69Å; F533-Y535 HydrophobicContact CB-CG 4.47Å; F533-Y535 HydrophobicContact CD1-CD2 4.45Å; F533-Y535 AromaticContact CD1-CE2 3.77Å; F533-Y535 HydrophobicContact CD1-CE2 3.77Å; F533-Y535 HydrophobicContact CG-CD2 4.22Å; F533-Y535 HydrophobicContact CG-CE2 4Å; F533-Y535 PolarHBondContact O-N 3.19Å; Y535-E539 WeakPolarHBondContact CA-OE2 2.89Å; Y535-T559 HydrophobicContact CD1-CG2 4.07Å; Y535-T559 WeakPolarHBondContact CE1-O 3.25Å; Y535-T559 HydrophobicContact CG-CG2 4.33Å; Y535-T559 PolarHBondContact OH-O 2.77Å; Y535-L561 HydrophobicContact CD2-CB 4.02Å; Y535-L561 HydrophobicContact CD2-CD1 3.96Å; Y535-L561 HydrophobicContact CD2-CD2 4.26Å; Y535-L561 HydrophobicContact CD2-CG 4.3Å; Y535-L561 HydrophobicContact CE2-CB 3.84Å; Y535-L561 HydrophobicContact CE2-CD1 3.77Å; Y535-L561 HydrophobicContact CE2-CG 4.3Å; Y535-L564 HydrophobicContact CE2-CD1 4.37Å; Y535-L564 WeakPolarHBondContact OH-CD1 3.23Å
536	I	97.9	Very high	95.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-112.5	156.5	-176.8	62	170.4	0	0	0	113.2	L492 V496 L500 A515 K527 R528 A538 E539	L492-I536 HydrophobicContact CD2-CD1 4.46Å; V496-I536 HydrophobicContact CG1-CD1 4.24Å; V496-I536 HydrophobicContact CG1-CG2 3.62Å; V496-I536 HydrophobicContact CG2-CG2 4.17Å; L500-I536 HydrophobicContact CD1-CD1 4.03Å; A515-I536 HydrophobicContact CB-CD1 4.18Å; K527-I536 CarbonylContact O-C 3.51Å; K527-I536 VanDerWaalsContact O-CA 3.23Å; K527-I536 WeakPolarHBondContact O-CA 3.43Å; K527-I536 WeakPolarHBondContact O-CB 3.4Å; R528-I536 HydrophobicContact CG-CG2 4.46Å; I536-A538 HydrophobicContact CD1-CB 3.76Å; I536-A538 HydrophobicContact CG1-CB 4.04Å; I536-A538 PolarHBondContact O-N 2.87Å; I536-A538 VanDerWaalsContact O-N 3.09Å; I536-E539 HydrophobicContact CG1-CG 3.95Å; I536-E539 PolarHBondContact N-OE2 2.88Å; I536-E539 WeakPolarHBondContact O-CB 3.49Å; I536-E539 PolarHBondContact O-N 3.39Å
537	E	98	Very high	96.2	Very high	23 Å²	23	29.6 Å²	29.6	11%	0.107	15%	0.145	C	C	.	.	H	α-helix	trans	-54	-32.2	178.1	-66.3	-173.5	176.7	0	0	113.2	K527 L529 E539 V540 R575 I579	K527-E537 HydrophobicContact CB-CG 4.16Å; K527-E537 PolarHBondContact O-N 3.27Å; L529-E537 HydrophobicContact CD2-CG 4.03Å; E537-E539 PolarHBondContact O-N 3.26Å; E537-V540 WeakPolarHBondContact O-CB 3.4Å; E537-V540 PolarHBondContact O-N 3.01Å; E537-V540 VanDerWaalsContact O-N 3.12Å; E537-R575 IonicContact OE1-CZ 2.97Å; E537-R575 IonicContact OE1-NE 2.99Å; E537-R575 PolarHBondContact OE1-NE 2.58Å; E537-R575 IonicContact OE1-NH2 2.96Å; E537-R575 PolarHBondContact OE1-NH2 3.17Å; E537-R575 IonicContact OE2-CZ 3.75Å; E537-R575 IonicContact OE2-NE 3.83Å; E537-R575 IonicContact OE2-NH2 3.59Å; E537-R575 PolarHBondContact OE2-NH2 3.39Å; E537-I579 HydrophobicContact CB-CD1 3.72Å; E537-I579 HydrophobicContact CG-CD1 3.72Å
538	A	98.1	Very high	96.3	Very high	5 Å²	5	26.2 Å²	26.2	4%	0.041	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-30.1	178.7	0	0	0	0	0	113.1	V511 M514 A515 I536 V540 L541 Y542	V511-A538 HydrophobicContact CG1-CB 4.12Å; M514-A538 HydrophobicContact CB-CB 4.26Å; A515-A538 HydrophobicContact CB-CB 4.08Å; I536-A538 HydrophobicContact CD1-CB 3.76Å; I536-A538 HydrophobicContact CG1-CB 4.04Å; I536-A538 PolarHBondContact O-N 2.87Å; I536-A538 VanDerWaalsContact O-N 3.09Å; A538-V540 VanDerWaalsContact C-N 3.26Å; A538-V540 PolarHBondContact O-N 3.3Å; A538-L541 PolarHBondContact O-N 3.27Å; A538-Y542 PolarHBondContact O-N 2.9Å
539	E	98.4	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-29.3	176.8	-68.4	-179.2	78.3	0	0	111.9	H499 L500 Y504 V511 Y535 I536 E537 Y542 A543	H499-E539 IonicContact CD2-OE1 2.65Å; H499-E539 IonicContact CD2-OE2 3.84Å; H499-E539 IonicContact CE1-OE1 3.82Å; H499-E539 VanDerWaalsContact NE2-CD 3.34Å; H499-E539 IonicContact NE2-OE1 2.7Å; H499-E539 PolarHBondContact NE2-OE1 3.18Å; H499-E539 IonicContact NE2-OE2 3.35Å; H499-E539 PolarHBondContact NE2-OE2 3.3Å; L500-E539 HydrophobicContact CD2-CG 3.79Å; Y504-E539 HydrophobicContact CE2-CG 3.91Å; Y504-E539 VanDerWaalsContact CE2-OE1 3.24Å; Y504-E539 WeakPolarHBondContact CE2-OE1 3.41Å; Y504-E539 WeakPolarHBondContact OH-CG 3.35Å; Y504-E539 PolarHBondContact OH-OE1 2.74Å; V511-E539 HydrophobicContact CG1-CG 3.92Å; Y535-E539 WeakPolarHBondContact CA-OE2 2.89Å; I536-E539 HydrophobicContact CG1-CG 3.95Å; I536-E539 PolarHBondContact N-OE2 2.88Å; I536-E539 WeakPolarHBondContact O-CB 3.49Å; I536-E539 PolarHBondContact O-N 3.39Å; E537-E539 PolarHBondContact O-N 3.26Å; E539-Y542 PolarHBondContact O-N 2.95Å; E539-A543 WeakPolarHBondContact O-CB 3.14Å; E539-A543 PolarHBondContact O-N 2.97Å
540	V	98.6	Very high	96.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-43.5	175.1	-173.7	0	0	0	0	110.1	L529 E537 A538 A543 I544 V554 I576 I579 M580	L529-V540 HydrophobicContact CD1-CG2 3.91Å; L529-V540 HydrophobicContact CD2-CG2 4Å; E537-V540 WeakPolarHBondContact O-CB 3.4Å; E537-V540 PolarHBondContact O-N 3.01Å; E537-V540 VanDerWaalsContact O-N 3.12Å; A538-V540 VanDerWaalsContact C-N 3.26Å; A538-V540 PolarHBondContact O-N 3.3Å; V540-A543 PolarHBondContact O-N 3.19Å; V540-I544 WeakPolarHBondContact O-CG1 2.7Å; V540-I544 PolarHBondContact O-N 3.23Å; V540-V554 HydrophobicContact CG1-CG1 4.41Å; V540-V554 HydrophobicContact CG1-CG2 4.46Å; V540-V554 HydrophobicContact CG2-CG1 4.12Å; V540-I576 HydrophobicContact CG1-CG2 4.22Å; V540-I576 HydrophobicContact CG2-CG1 4.17Å; V540-I579 HydrophobicContact CB-CB 4.5Å; V540-I579 HydrophobicContact CB-CG2 4.01Å; V540-I579 HydrophobicContact CG1-CB 4.06Å; V540-I579 HydrophobicContact CG1-CG2 3.79Å; V540-I579 HydrophobicContact CG2-CD1 4.36Å; V540-M580 HydrophobicContact CG1-CG 3.54Å; V540-M580 HydrophobicContact CG1-SD 4.49Å
541	L	97.9	Very high	96.7	Very high	43 Å²	43	24 Å²	24	23%	0.225	13%	0.125	C	C	.	.	H	α-helix	trans	-66.1	-42.6	176.2	-63.3	174	0	0	0	111.5	A538 A543 I544 I579 E583	A538-L541 PolarHBondContact O-N 3.27Å; L541-A543 VanDerWaalsContact C-N 3.35Å; L541-I544 PolarHBondContact O-N 3.17Å; L541-I579 HydrophobicContact CD2-CG2 3.64Å; L541-I579 HydrophobicContact CG-CG2 4.03Å; L541-E583 HydrophobicContact CD2-CB 4.3Å; L541-E583 HydrophobicContact CD2-CG 4.19Å
542	Y	98	Very high	97.2	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.059	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-38.7	177.3	-164.6	-92.7	0	0	0	111.9	Y504 K507 D510 V511 M514 A538 E539 I544 K545 E546	Y504-Y542 AromaticContact CD1-CD1 3.82Å; Y504-Y542 HydrophobicContact CD1-CD1 3.82Å; Y504-Y542 AromaticContact CD1-CE1 3.76Å; Y504-Y542 HydrophobicContact CD1-CE1 3.76Å; Y504-Y542 AromaticContact CE1-CD1 3.62Å; Y504-Y542 HydrophobicContact CE1-CD1 3.62Å; Y504-Y542 HydrophobicContact CE1-CE1 4.01Å; K507-Y542 WeakPolarHBondContact CB-OH 3.37Å; D510-Y542 HydrophobicContact CB-CE2 3.93Å; V511-Y542 HydrophobicContact CG2-CD1 3.85Å; V511-Y542 HydrophobicContact CG2-CD2 3.64Å; V511-Y542 HydrophobicContact CG2-CE1 4.28Å; V511-Y542 HydrophobicContact CG2-CE2 4.11Å; V511-Y542 HydrophobicContact CG2-CG 3.52Å; M514-Y542 HydrophobicContact CE-CD2 3.56Å; M514-Y542 HydrophobicContact CE-CE2 4.08Å; M514-Y542 HydrophobicContact SD-CD2 4.28Å; A538-Y542 PolarHBondContact O-N 2.9Å; E539-Y542 PolarHBondContact O-N 2.95Å; Y542-I544 VanDerWaalsContact C-N 3.26Å; Y542-I544 PolarHBondContact O-N 2.79Å; Y542-K545 WeakPolarHBondContact O-CA 3.43Å; Y542-K545 VanDerWaalsContact O-CB 3.3Å; Y542-K545 WeakPolarHBondContact O-CB 3.38Å; Y542-K545 PolarHBondContact O-N 3.1Å; Y542-E546 HydrophobicContact CD1-CG 3.91Å; Y542-E546 VanDerWaalsContact CE1-CD 3.45Å; Y542-E546 HydrophobicContact CE1-CG 3.69Å; Y542-E546 WeakPolarHBondContact CE1-OE1 3.49Å; Y542-E546 PolarHBondContact O-N 3.25Å; Y542-E546 VanDerWaalsContact O-N 3.08Å
543	A	98.3	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.5	-36.2	177	0	0	0	0	0	112.7	E539 V540 L541 K545 E546 Y547 A548 V554 R558	E539-A543 WeakPolarHBondContact O-CB 3.14Å; E539-A543 PolarHBondContact O-N 2.97Å; V540-A543 PolarHBondContact O-N 3.19Å; L541-A543 VanDerWaalsContact C-N 3.35Å; A543-K545 VanDerWaalsContact C-N 3.3Å; A543-K545 PolarHBondContact O-N 2.86Å; A543-E546 CarbonylContact O-C 2.83Å; A543-E546 VanDerWaalsContact O-CA 3.32Å; A543-E546 WeakPolarHBondContact O-CA 3.28Å; A543-E546 WeakPolarHBondContact O-CB 3.32Å; A543-E546 PolarHBondContact O-N 2.9Å; A543-Y547 PolarHBondContact O-N 2.91Å; A543-A548 HydrophobicContact CB-CB 3.98Å; A543-A548 WeakPolarHBondContact O-CB 3.41Å; A543-A548 PolarHBondContact O-N 3.39Å; A543-V554 HydrophobicContact CB-CG2 4Å; A543-R558 HydrophobicContact CB-CB 4.02Å; A543-R558 HydrophobicContact CB-CG 3.76Å
544	I	97.7	Very high	97.9	Very high	29 Å²	29	15.8 Å²	15.8	15%	0.149	8%	0.079	C	C	.	.	H	α-helix	trans	-62.4	-40	174.7	-66.1	165.6	0	0	0	110.6	V540 L541 Y542 E546 Y547 M580 E583 L584	V540-I544 WeakPolarHBondContact O-CG1 2.7Å; V540-I544 PolarHBondContact O-N 3.23Å; L541-I544 PolarHBondContact O-N 3.17Å; Y542-I544 VanDerWaalsContact C-N 3.26Å; Y542-I544 PolarHBondContact O-N 2.79Å; I544-E546 PolarHBondContact O-N 3.12Å; I544-Y547 PolarHBondContact O-N 2.77Å; I544-M580 HydrophobicContact CD1-CG 4.3Å; I544-M580 HydrophobicContact CG1-CE 4.4Å; I544-E583 HydrophobicContact CD1-CB 3.69Å; I544-E583 HydrophobicContact CD1-CG 3.7Å; I544-L584 HydrophobicContact CD1-CG 4.28Å; I544-L584 HydrophobicContact CG2-CD2 3.8Å; I544-L584 HydrophobicContact CG2-CG 4.48Å
545	K	96.2	Very high	97.9	Very high	124 Å²	124	15 Å²	15	54%	0.539	7%	0.074	S	C	.	.	H	α-helix	trans	-63.1	-32	172.5	-58	-172.5	178.6	-172.4	0	111.7	L57 M514 Y542 A543 Y547	L57-K545 VanDerWaalsContact CD2-O 3.23Å; L57-K545 WeakPolarHBondContact CD2-O 3.3Å; M514-K545 HydrophobicContact CE-CD 4.04Å; M514-K545 VanDerWaalsContact CE-NZ 3.28Å; Y542-K545 WeakPolarHBondContact O-CA 3.43Å; Y542-K545 VanDerWaalsContact O-CB 3.3Å; Y542-K545 WeakPolarHBondContact O-CB 3.38Å; Y542-K545 PolarHBondContact O-N 3.1Å; A543-K545 VanDerWaalsContact C-N 3.3Å; A543-K545 PolarHBondContact O-N 2.86Å; K545-Y547 PolarHBondContact O-N 3.32Å
546	E	97.4	Very high	97.9	Very high	9 Å²	9	15 Å²	15	4%	0.042	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	32.8	171.7	-57.4	-179.7	128.8	0	0	113.4	R230 L233 L237 Y542 A543 I544 A548 R558	R230-E546 IonicContact CZ-OE1 2.73Å; R230-E546 IonicContact CZ-OE2 2.76Å; R230-E546 IonicContact NH1-OE1 3.02Å; R230-E546 PolarHBondContact NH1-OE1 2.88Å; R230-E546 IonicContact NH1-OE2 3.28Å; R230-E546 PolarHBondContact NH1-OE2 3.38Å; R230-E546 IonicContact NH2-OE2 2.66Å; R230-E546 PolarHBondContact NH2-OE2 2.99Å; L233-E546 HydrophobicContact CD2-CB 4.17Å; L237-E546 HydrophobicContact CD1-CB 4.04Å; L237-E546 HydrophobicContact CD1-CG 3.85Å; Y542-E546 HydrophobicContact CD1-CG 3.91Å; Y542-E546 VanDerWaalsContact CE1-CD 3.45Å; Y542-E546 HydrophobicContact CE1-CG 3.69Å; Y542-E546 WeakPolarHBondContact CE1-OE1 3.49Å; Y542-E546 PolarHBondContact O-N 3.25Å; Y542-E546 VanDerWaalsContact O-N 3.08Å; A543-E546 CarbonylContact O-C 2.83Å; A543-E546 VanDerWaalsContact O-CA 3.32Å; A543-E546 WeakPolarHBondContact O-CA 3.28Å; A543-E546 WeakPolarHBondContact O-CB 3.32Å; A543-E546 PolarHBondContact O-N 2.9Å; I544-E546 PolarHBondContact O-N 3.12Å; E546-A548 VanDerWaalsContact C-N 3.26Å; E546-A548 PolarHBondContact O-N 2.94Å; E546-R558 PolarHBondContact O-NE 3.15Å; E546-R558 PolarHBondContact O-NH2 3.41Å
547	Y	98.1	Very high	97.9	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.02	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	17.8	174.6	-46.7	-41.9	0	0	0	116	L57 P58 R60 Q63 F106 L237 I246 N248 A543 I544 K545 C549	L57-Y547 HydrophobicContact CD2-CE1 4.3Å; L57-Y547 HydrophobicContact CD2-CE2 4.49Å; L57-Y547 HydrophobicContact CG-CE1 4.42Å; P58-Y547 WeakPolarHBondContact O-CE1 3.46Å; P58-Y547 PolarHBondContact O-OH 3.14Å; R60-Y547 HydrophobicContact CB-CD1 3.77Å; R60-Y547 HydrophobicContact CB-CE1 4.23Å; R60-Y547 HydrophobicContact CG-CD1 4.43Å; Q63-Y547 PolarHBondContact NE2-OH 3.16Å; F106-Y547 AromaticContact CE2-CD2 3.82Å; F106-Y547 HydrophobicContact CE2-CD2 3.82Å; L237-Y547 HydrophobicContact CD2-CD2 3.58Å; L237-Y547 HydrophobicContact CD2-CE2 3.4Å; L237-Y547 VanDerWaalsContact CD2-CE2 3.4Å; I246-Y547 HydrophobicContact CD1-CE2 4.19Å; I246-Y547 HydrophobicContact CG1-CE2 4.22Å; N248-Y547 PolarHBondContact ND2-O 2.98Å; A543-Y547 PolarHBondContact O-N 2.91Å; I544-Y547 PolarHBondContact O-N 2.77Å; K545-Y547 PolarHBondContact O-N 3.32Å; Y547-C549 PolarHBondContact O-N 3.14Å; Y547-C549 PolarHBondContact O-SG 3.07Å
548	A	98.3	Very high	97.8	Very high	3 Å²	3	14.8 Å²	14.8	3%	0.025	7%	0.072	C	C	.	.			trans	-64.5	125.6	171.6	0	0	0	0	0	110.3	A543 E546 D553 V554	A543-A548 HydrophobicContact CB-CB 3.98Å; A543-A548 WeakPolarHBondContact O-CB 3.41Å; A543-A548 PolarHBondContact O-N 3.39Å; E546-A548 VanDerWaalsContact C-N 3.26Å; E546-A548 PolarHBondContact O-N 2.94Å; A548-D553 HydrophobicContact CB-CB 3.77Å; A548-V554 HydrophobicContact CB-CG2 4.07Å
549	C	97.7	Very high	97.7	Very high	16 Å²	16	14.7 Å²	14.7	11%	0.108	7%	0.071	C	C	.	.			trans	-115.3	-18.9	-177.6	-61.2	0	0	0	0	112.9	R60 Y249 L277 Y547 D553 W586	R60-C549 VanDerWaalsContact CD-SG 3.54Å; Y249-C549 HydrophobicContact CD2-CB 3.8Å; Y249-C549 HydrophobicContact CE2-CB 3.65Å; L277-C549 HydrophobicContact CD1-CB 3.58Å; Y547-C549 PolarHBondContact O-N 3.14Å; Y547-C549 PolarHBondContact O-SG 3.07Å; C549-D553 PolarHBondContact N-OD2 2.82Å; C549-W586 WeakPolarHBondContact O-CZ2 3.41Å
550	T	98.1	Very high	97.6	Very high	12 Å²	12	14.8 Å²	14.8	7%	0.074	7%	0.071	C	C	.	.	S	Bend	trans	-129.8	159.2	-178.5	67.2	0	0	0	0	111.9	Y249 I552 D553 E594	Y249-T550 HydrophobicContact CE1-CG2 4.11Å; Y249-T550 HydrophobicContact CE2-CG2 4.46Å; Y249-T550 WeakPolarHBondContact OH-CG2 3.26Å; Y249-T550 PolarHBondContact OH-OG1 3.12Å; T550-I552 PolarHBondContact O-N 2.83Å; T550-D553 PolarHBondContact N-OD2 2.95Å; T550-D553 WeakPolarHBondContact O-CB 3.4Å; T550-D553 PolarHBondContact O-N 3.3Å; T550-D553 VanDerWaalsContact O-N 3.1Å; T550-D553 PolarHBondContact OG1-N 3.43Å; T550-D553 PolarHBondContact OG1-OD1 3.19Å; T550-D553 VanDerWaalsContact OG1-OD1 3.04Å; T550-D553 PolarHBondContact OG1-OD2 3.32Å; T550-E594 VanDerWaalsContact CA-OE2 3.31Å; T550-E594 WeakPolarHBondContact CA-OE2 3.35Å; T550-E594 VanDerWaalsContact CB-OE2 3.26Å; T550-E594 WeakPolarHBondContact CB-OE2 3.42Å
551	A	98.1	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-60.8	-31.6	175.5	0	0	0	0	0	112.3	D553 V554 M555 L573 I576 V577 E594 A598	A551-D553 VanDerWaalsContact C-N 3.33Å; A551-D553 PolarHBondContact O-N 2.88Å; A551-V554 PolarHBondContact O-N 2.87Å; A551-M555 WeakPolarHBondContact O-CG 3.48Å; A551-M555 PolarHBondContact O-N 2.97Å; A551-M555 VanDerWaalsContact O-N 3.09Å; A551-L573 HydrophobicContact CB-CD2 4.35Å; A551-I576 HydrophobicContact CB-CG2 4.34Å; A551-V577 HydrophobicContact CB-CG2 3.88Å; A551-E594 PolarHBondContact N-OE2 2.81Å; A551-E594 VanDerWaalsContact N-OE2 3.16Å; A551-A598 HydrophobicContact CB-CB 4.24Å
552	I	98.3	Very high	97.5	Very high	30 Å²	30	12.7 Å²	12.7	15%	0.154	6%	0.06	C	C	.	.	H	α-helix	trans	-63.7	-38.5	176.4	-58.4	173	0	0	0	110.7	T550 V554 A556 A598 F601	T550-I552 PolarHBondContact O-N 2.83Å; I552-V554 VanDerWaalsContact C-N 3.27Å; I552-V554 PolarHBondContact O-N 3.15Å; I552-A556 HydrophobicContact CG2-CB 4.04Å; I552-A556 WeakPolarHBondContact O-CA 3.47Å; I552-A556 WeakPolarHBondContact O-CB 3.26Å; I552-A556 PolarHBondContact O-N 3.08Å; I552-A598 HydrophobicContact CG1-CB 4.01Å; I552-F601 HydrophobicContact CD1-CB 3.79Å; I552-F601 HydrophobicContact CD1-CG 4.17Å; I552-F601 HydrophobicContact CG1-CB 4.21Å; I552-F601 HydrophobicContact CG1-CG 4.33Å; I552-F601 HydrophobicContact CG2-CD1 4Å; I552-F601 HydrophobicContact CG2-CD2 4.02Å; I552-F601 HydrophobicContact CG2-CE1 4.09Å; I552-F601 HydrophobicContact CG2-CE2 4.12Å; I552-F601 HydrophobicContact CG2-CG 3.96Å; I552-F601 HydrophobicContact CG2-CZ 4.15Å
553	D	98.6	Very high	97.4	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-55.7	-48	176.8	-59.4	-22	0	0	0	110.6	D105 Y249 A548 C549 T550 A551 R557 R558	D105-D553 WeakPolarHBondContact CB-OD1 3.37Å; D105-D553 VanDerWaalsContact CG-OD1 3.23Å; Y249-D553 WeakPolarHBondContact CE2-OD2 3.43Å; Y249-D553 PolarHBondContact OH-OD1 3.24Å; Y249-D553 PolarHBondContact OH-OD2 3.35Å; A548-D553 HydrophobicContact CB-CB 3.77Å; C549-D553 PolarHBondContact N-OD2 2.82Å; T550-D553 PolarHBondContact N-OD2 2.95Å; T550-D553 WeakPolarHBondContact O-CB 3.4Å; T550-D553 PolarHBondContact O-N 3.3Å; T550-D553 VanDerWaalsContact O-N 3.1Å; T550-D553 PolarHBondContact OG1-N 3.43Å; T550-D553 PolarHBondContact OG1-OD1 3.19Å; T550-D553 VanDerWaalsContact OG1-OD1 3.04Å; T550-D553 PolarHBondContact OG1-OD2 3.32Å; A551-D553 VanDerWaalsContact C-N 3.33Å; A551-D553 PolarHBondContact O-N 2.88Å; D553-R557 WeakPolarHBondContact O-CA 3.49Å; D553-R557 WeakPolarHBondContact O-CB 3.36Å; D553-R557 PolarHBondContact O-N 2.55Å; D553-R557 IonicContact OD1-CZ 2.68Å; D553-R557 IonicContact OD1-NE 2.64Å; D553-R557 IonicContact OD1-NH2 3.91Å; D553-R557 PolarHBondContact OD1-NH2 3.15Å; D553-R558 VanDerWaalsContact O-CG 3.31Å; D553-R558 WeakPolarHBondContact O-CG 3.37Å; D553-R558 PolarHBondContact O-N 2.86Å
554	V	98.4	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-64.6	-61.9	-177.6	-178.6	0	0	0	0	110.3	V540 A543 A548 A551 I552 A556 R558 T559 I576 M580	V540-V554 HydrophobicContact CG1-CG1 4.41Å; V540-V554 HydrophobicContact CG1-CG2 4.46Å; V540-V554 HydrophobicContact CG2-CG1 4.12Å; A543-V554 HydrophobicContact CB-CG2 4Å; A548-V554 HydrophobicContact CB-CG2 4.07Å; A551-V554 PolarHBondContact O-N 2.87Å; I552-V554 VanDerWaalsContact C-N 3.27Å; I552-V554 PolarHBondContact O-N 3.15Å; V554-A556 PolarHBondContact O-N 3.44Å; V554-R558 WeakPolarHBondContact O-CB 3.42Å; V554-R558 PolarHBondContact O-N 2.6Å; V554-T559 HydrophobicContact CG1-CG2 4.3Å; V554-T559 PolarHBondContact O-N 3.03Å; V554-T559 PolarHBondContact O-OG1 3.46Å; V554-I576 HydrophobicContact CB-CG2 4.11Å; V554-I576 HydrophobicContact CG1-CD1 4.49Å; V554-I576 HydrophobicContact CG1-CG2 4.11Å; V554-I576 HydrophobicContact CG2-CG2 4.48Å; V554-M580 HydrophobicContact CB-SD 4.49Å; V554-M580 HydrophobicContact CG2-CE 4.12Å; V554-M580 HydrophobicContact CG2-SD 3.55Å; V554-M580 VanDerWaalsContact CG2-SD 3.55Å
555	M	96.6	Very high	97.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-67.1	-34.4	-172.5	73.9	-173	-52.2	0	0	113.4	A551 T559 R560 L561 G562 A569 L573 I576 A598 F601 L602	A551-M555 WeakPolarHBondContact O-CG 3.48Å; A551-M555 PolarHBondContact O-N 2.97Å; A551-M555 VanDerWaalsContact O-N 3.09Å; M555-T559 PolarHBondContact O-OG1 3.01Å; M555-R560 CarbonylContact O-C 3.59Å; M555-R560 VanDerWaalsContact O-C 3.29Å; M555-R560 WeakPolarHBondContact O-CA 3.47Å; M555-R560 PolarHBondContact O-N 3.24Å; M555-L561 PolarHBondContact O-N 2.78Å; M555-G562 PolarHBondContact O-N 3.49Å; M555-G562 VanDerWaalsContact O-N 3.07Å; M555-A569 HydrophobicContact CE-CB 3.6Å; M555-L573 HydrophobicContact CE-CD1 4.13Å; M555-L573 HydrophobicContact CE-CD2 3.79Å; M555-L573 HydrophobicContact CE-CG 3.9Å; M555-L573 HydrophobicContact SD-CD2 3.61Å; M555-L573 HydrophobicContact SD-CG 4.35Å; M555-I576 HydrophobicContact CB-CD1 4.37Å; M555-A598 HydrophobicContact SD-CB 4.12Å; M555-F601 HydrophobicContact SD-CD1 4.42Å; M555-L602 HydrophobicContact CE-CD1 3.7Å; M555-L602 HydrophobicContact CE-CD2 3.31Å; M555-L602 HydrophobicContact CE-CG 3.6Å; M555-L602 HydrophobicContact SD-CD2 4.4Å
556	A	96.8	Very high	97.1	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	I	π-helix	trans	-94.6	-38.9	-169.3	0	0	0	0	0	110.9	I552 V554 R560 F563 F601	I552-A556 HydrophobicContact CG2-CB 4.04Å; I552-A556 WeakPolarHBondContact O-CA 3.47Å; I552-A556 WeakPolarHBondContact O-CB 3.26Å; I552-A556 PolarHBondContact O-N 3.08Å; V554-A556 PolarHBondContact O-N 3.44Å; A556-R560 WeakPolarHBondContact O-CD 3.42Å; A556-R560 PolarHBondContact O-NE 3.14Å; A556-R560 PolarHBondContact O-NH1 3.32Å; A556-F563 HydrophobicContact CB-CD2 4.46Å; A556-F563 HydrophobicContact CB-CE2 4.08Å; A556-F563 WeakPolarHBondContact O-CD2 3.38Å; A556-F563 WeakPolarHBondContact O-CE2 3.33Å; A556-F601 HydrophobicContact CB-CE1 3.72Å; A556-F601 HydrophobicContact CB-CZ 3.72Å
557	R	97.6	Very high	96.7	Very high	16 Å²	16	9.3 Å²	9.3	6%	0.06	5%	0.047	C	C	.	.	I	π-helix	trans	-113.5	-35.7	-170.9	-70.7	169.8	-76.1	-80	7.4	113.5	D105 F106 A229 D553	D105-R557 VanDerWaalsContact OD2-CD 3.29Å; D105-R557 WeakPolarHBondContact OD2-CD 3.45Å; D105-R557 IonicContact OD2-CZ 2.74Å; D105-R557 IonicContact OD2-NE 3.53Å; D105-R557 PolarHBondContact OD2-NE 3.35Å; D105-R557 IonicContact OD2-NH2 3.81Å; F106-R557 VanDerWaalsContact O-CD 3.26Å; F106-R557 WeakPolarHBondContact O-CD 3.32Å; A229-R557 HydrophobicContact CB-CB 4.31Å; A229-R557 HydrophobicContact CB-CG 4.35Å; D553-R557 WeakPolarHBondContact O-CA 3.49Å; D553-R557 WeakPolarHBondContact O-CB 3.36Å; D553-R557 PolarHBondContact O-N 2.55Å; D553-R557 IonicContact OD1-CZ 2.68Å; D553-R557 IonicContact OD1-NE 2.64Å; D553-R557 IonicContact OD1-NH2 3.91Å; D553-R557 PolarHBondContact OD1-NH2 3.15Å
558	R	97.4	Very high	96.5	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.015	5%	0.049	C	C	.	.	I	π-helix	trans	-83.2	-47.1	-177	-57.8	-68.4	-179.9	-67	3.1	111.7	D105 R230 L233 A543 E546 D553 V554	D105-R558 IonicContact OD1-CZ 2.82Å; D105-R558 IonicContact OD1-NH1 2.72Å; D105-R558 IonicContact OD1-NH2 3.21Å; D105-R558 PolarHBondContact OD1-NH2 3.32Å; D105-R558 VanDerWaalsContact OD1-NH2 3.11Å; D105-R558 IonicContact OD2-CZ 3.73Å; D105-R558 IonicContact OD2-NH1 2.88Å; D105-R558 PolarHBondContact OD2-NH1 3.28Å; D105-R558 IonicContact OD2-NH2 3.82Å; D105-R558 PolarHBondContact OD2-NH2 3.16Å; R230-R558 PolarHBondContact NE-O 3.18Å; R230-R558 PolarHBondContact NH2-O 3.15Å; L233-R558 VanDerWaalsContact CD2-CD 3.43Å; L233-R558 VanDerWaalsContact CD2-NE 3.34Å; A543-R558 HydrophobicContact CB-CB 4.02Å; A543-R558 HydrophobicContact CB-CG 3.76Å; E546-R558 PolarHBondContact O-NE 3.15Å; E546-R558 PolarHBondContact O-NH2 3.41Å; D553-R558 VanDerWaalsContact O-CG 3.31Å; D553-R558 WeakPolarHBondContact O-CG 3.37Å; D553-R558 PolarHBondContact O-N 2.86Å; V554-R558 WeakPolarHBondContact O-CB 3.42Å; V554-R558 PolarHBondContact O-N 2.6Å
559	T	95.8	Very high	96.3	Very high	3 Å²	3	9.2 Å²	9.2	2%	0.018	5%	0.048	C	C	.	.	S	Bend	trans	-101.5	-26.3	178.9	65.1	0	0	0	0	113.4	Y535 V554 M555 L561	Y535-T559 HydrophobicContact CD1-CG2 4.07Å; Y535-T559 WeakPolarHBondContact CE1-O 3.25Å; Y535-T559 HydrophobicContact CG-CG2 4.33Å; Y535-T559 PolarHBondContact OH-O 2.77Å; V554-T559 HydrophobicContact CG1-CG2 4.3Å; V554-T559 PolarHBondContact O-N 3.03Å; V554-T559 PolarHBondContact O-OG1 3.46Å; M555-T559 PolarHBondContact O-OG1 3.01Å; T559-L561 PolarHBondContact O-N 3.26Å; T559-L561 PolarHBondContact OG1-N 3.25Å
560	R	96.5	Very high	96.2	Very high	1 Å²	1	10.8 Å²	10.8	0%	0.004	6%	0.055	C	C	.	.			trans	70.4	5.5	-174.7	-47.7	-60.8	-61.2	168.9	-2.6	115.1	S112 K116 D228 A229 W349 M555 A556 G562 F563 L564	S112-R560 PolarHBondContact O-NH2 2.84Å; K116-R560 VanDerWaalsContact NZ-NH2 3.13Å; D228-R560 IonicContact OD1-NH2 2.79Å; A229-R560 VanDerWaalsContact CB-NH1 3.29Å; W349-R560 HydrophobicContact CH2-CB 3.86Å; W349-R560 HydrophobicContact CH2-CG 4.04Å; W349-R560 HydrophobicContact CZ2-CG 4.31Å; M555-R560 CarbonylContact O-C 3.59Å; M555-R560 VanDerWaalsContact O-C 3.29Å; M555-R560 WeakPolarHBondContact O-CA 3.47Å; M555-R560 PolarHBondContact O-N 3.24Å; A556-R560 WeakPolarHBondContact O-CD 3.42Å; A556-R560 PolarHBondContact O-NE 3.14Å; A556-R560 PolarHBondContact O-NH1 3.32Å; R560-G562 PolarHBondContact O-N 2.74Å; R560-G562 VanDerWaalsContact O-N 3.17Å; R560-F563 VanDerWaalsContact NH2-CE1 3.29Å; R560-F563 WeakPolarHBondContact O-CA 3.48Å; R560-F563 WeakPolarHBondContact O-CB 3.41Å; R560-F563 PolarHBondContact O-N 3.26Å; R560-L564 PolarHBondContact O-N 3.39Å
561	L	96.6	Very high	96	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-51.9	-41.4	-179.8	-177	58.5	0	0	0	112.8	V530 F533 Y535 M555 T559 F563 L564 N565 A568 A569 A572	V530-L561 HydrophobicContact CG1-CD1 4.38Å; V530-L561 HydrophobicContact CG1-CD2 4.1Å; F533-L561 HydrophobicContact CB-CD1 4.28Å; F533-L561 HydrophobicContact CD1-CD1 3.96Å; F533-L561 HydrophobicContact CD2-CD1 3.71Å; F533-L561 HydrophobicContact CE1-CD1 4.2Å; F533-L561 HydrophobicContact CE2-CD1 3.98Å; F533-L561 HydrophobicContact CG-CD1 3.7Å; F533-L561 HydrophobicContact CZ-CD1 4.21Å; Y535-L561 HydrophobicContact CD2-CB 4.02Å; Y535-L561 HydrophobicContact CD2-CD1 3.96Å; Y535-L561 HydrophobicContact CD2-CD2 4.26Å; Y535-L561 HydrophobicContact CD2-CG 4.3Å; Y535-L561 HydrophobicContact CE2-CB 3.84Å; Y535-L561 HydrophobicContact CE2-CD1 3.77Å; Y535-L561 HydrophobicContact CE2-CG 4.3Å; M555-L561 PolarHBondContact O-N 2.78Å; T559-L561 PolarHBondContact O-N 3.26Å; T559-L561 PolarHBondContact OG1-N 3.25Å; L561-F563 PolarHBondContact O-N 3.28Å; L561-L564 PolarHBondContact O-N 3.2Å; L561-N565 PolarHBondContact O-N 3.14Å; L561-A568 HydrophobicContact CD1-CB 3.98Å; L561-A569 HydrophobicContact CD2-CB 4.36Å; L561-A569 HydrophobicContact CG-CB 3.92Å; L561-A572 HydrophobicContact CD2-CB 3.74Å
562	G	96.3	Very high	95.9	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.7	-21.9	177.1	0	0	0	0	0	114.7	M555 R560	M555-G562 PolarHBondContact O-N 3.49Å; M555-G562 VanDerWaalsContact O-N 3.07Å; R560-G562 PolarHBondContact O-N 2.74Å; R560-G562 VanDerWaalsContact O-N 3.17Å
563	F	97.1	Very high	95.9	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	7%	0.071	C	C	.	.	H	α-helix	trans	-88.8	-15.4	173.4	-79.2	-104.2	0	0	0	112.8	S112 R113 V321 W349 A399 W401 A556 R560 L561 M606	S112-F563 WeakPolarHBondContact O-CE1 3.36Å; R113-F563 HydrophobicContact CG-CE1 4.15Å; R113-F563 HydrophobicContact CG-CZ 4.11Å; V321-F563 WeakPolarHBondContact CG2-O 3.37Å; W349-F563 HydrophobicContact CH2-CB 4.43Å; W349-F563 HydrophobicContact CZ3-CB 4.27Å; A399-F563 WeakPolarHBondContact CB-O 3.1Å; W401-F563 HydrophobicContact CB-CD1 4.28Å; W401-F563 HydrophobicContact CB-CE1 3.93Å; W401-F563 AromaticContact CD1-CE1 3.92Å; W401-F563 AromaticContact CD2-CD1 3.66Å; W401-F563 HydrophobicContact CD2-CD1 3.66Å; W401-F563 AromaticContact CD2-CE1 3.83Å; W401-F563 HydrophobicContact CD2-CE1 3.83Å; W401-F563 AromaticContact CE3-CD1 3.83Å; W401-F563 HydrophobicContact CE3-CD1 3.83Å; W401-F563 HydrophobicContact CE3-CE1 4.44Å; W401-F563 AromaticContact CG-CD1 3.89Å; W401-F563 HydrophobicContact CG-CD1 3.89Å; W401-F563 AromaticContact CG-CE1 3.59Å; W401-F563 HydrophobicContact CG-CE1 3.59Å; W401-F563 HydrophobicContact CZ3-CD1 4.46Å; A556-F563 HydrophobicContact CB-CD2 4.46Å; A556-F563 HydrophobicContact CB-CE2 4.08Å; A556-F563 WeakPolarHBondContact O-CD2 3.38Å; A556-F563 WeakPolarHBondContact O-CE2 3.33Å; R560-F563 VanDerWaalsContact NH2-CE1 3.29Å; R560-F563 WeakPolarHBondContact O-CA 3.48Å; R560-F563 WeakPolarHBondContact O-CB 3.41Å; R560-F563 PolarHBondContact O-N 3.26Å; L561-F563 PolarHBondContact O-N 3.28Å; F563-M606 HydrophobicContact CD1-SD 4.42Å; F563-M606 HydrophobicContact CD2-SD 3.91Å; F563-M606 HydrophobicContact CE1-CE 4.42Å; F563-M606 HydrophobicContact CE1-SD 4.41Å; F563-M606 HydrophobicContact CE2-CE 4.19Å; F563-M606 HydrophobicContact CE2-SD 3.89Å; F563-M606 HydrophobicContact CG-SD 4.18Å; F563-M606 HydrophobicContact CZ-CE 4.01Å; F563-M606 HydrophobicContact CZ-SD 4.16Å
564	L	95.6	Very high	95.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-97.5	-48.6	-177.6	-65.3	177.1	0	0	0	112.2	V321 W349 E350 M352 L398 F533 Y535 R560 L561	V321-L564 WeakPolarHBondContact CG1-O 3.49Å; W349-L564 HydrophobicContact CE3-CD2 3.42Å; W349-L564 VanDerWaalsContact CE3-CD2 3.42Å; W349-L564 HydrophobicContact CH2-CD2 4.39Å; W349-L564 HydrophobicContact CZ3-CD2 3.35Å; W349-L564 HydrophobicContact CZ3-CG 4.12Å; E350-L564 HydrophobicContact CB-CD1 3.7Å; E350-L564 HydrophobicContact CB-CD2 3.78Å; E350-L564 HydrophobicContact CB-CG 4.39Å; E350-L564 HydrophobicContact CG-CD1 4.34Å; E350-L564 HydrophobicContact CG-CD2 4.36Å; M352-L564 HydrophobicContact CB-CD2 4.31Å; M352-L564 HydrophobicContact CG-CD2 4.16Å; L398-L564 WeakPolarHBondContact CB-O 3.21Å; F533-L564 HydrophobicContact CD1-CD1 4.29Å; F533-L564 HydrophobicContact CE1-CB 3.95Å; F533-L564 HydrophobicContact CE1-CD1 4.04Å; F533-L564 HydrophobicContact CZ-CB 4.45Å; Y535-L564 HydrophobicContact CE2-CD1 4.37Å; Y535-L564 WeakPolarHBondContact OH-CD1 3.23Å; R560-L564 PolarHBondContact O-N 3.39Å; L561-L564 PolarHBondContact O-N 3.2Å
565	N	95.1	Very high	95.8	Very high	23 Å²	23	21.6 Å²	21.6	12%	0.123	11%	0.106	C	C	.	.			trans	-154	114.7	-178.7	-177.4	-30.5	0	0	0	110	L398 F533 L561 Q567 A568 A569	L398-N565 HydrophobicContact CB-CB 4.28Å; F533-N565 HydrophobicContact CE2-CB 3.92Å; F533-N565 HydrophobicContact CZ-CB 3.52Å; L561-N565 PolarHBondContact O-N 3.14Å; N565-Q567 PolarHBondContact O-N 3.19Å; N565-Q567 PolarHBondContact OD1-N 3.24Å; N565-A568 HydrophobicContact CB-CB 4.03Å; N565-A568 PolarHBondContact OD1-N 2.71Å; N565-A568 VanDerWaalsContact OD1-N 3.13Å; N565-A569 WeakPolarHBondContact O-CB 3.1Å; N565-A569 PolarHBondContact O-N 3.37Å
566	V	94.1	Very high	95.9	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-71	-31.5	-174.8	-172.9	0	0	0	0	112.9	L398 A399 A569 D570 L602 M606 Y608	L398-V566 WeakPolarHBondContact O-CG2 2.93Å; L398-V566 PolarHBondContact O-N 2.96Å; A399-V566 HydrophobicContact CB-CG2 3.81Å; V566-A569 WeakPolarHBondContact O-CB 3.33Å; V566-A569 PolarHBondContact O-N 3.43Å; V566-D570 PolarHBondContact O-N 3.05Å; V566-L602 HydrophobicContact CG1-CB 3.63Å; V566-L602 HydrophobicContact CG1-CD1 3.91Å; V566-L602 HydrophobicContact CG1-CD2 3.8Å; V566-L602 HydrophobicContact CG1-CG 3.97Å; V566-M606 HydrophobicContact CG2-CB 3.72Å; V566-M606 VanDerWaalsContact CG2-O 3.26Å; V566-M606 WeakPolarHBondContact CG2-O 3.44Å; V566-Y608 HydrophobicContact CB-CD2 3.95Å; V566-Y608 HydrophobicContact CG1-CD2 3.41Å; V566-Y608 VanDerWaalsContact CG1-CD2 3.41Å; V566-Y608 HydrophobicContact CG1-CE2 4.28Å; V566-Y608 HydrophobicContact CG1-CG 4.02Å
567	Q	90.1	Very high	95.9	Very high	76 Å²	76	22 Å²	22	36%	0.355	11%	0.109	S	C	.	.	H	α-helix	trans	-69.9	-47.4	177.7	-72.6	177.4	-50.4	0	0	111.1	N565 A569 D570 E571 Y608 R611	N565-Q567 PolarHBondContact O-N 3.19Å; N565-Q567 PolarHBondContact OD1-N 3.24Å; Q567-A569 PolarHBondContact O-N 3.4Å; Q567-D570 PolarHBondContact O-N 2.79Å; Q567-D570 VanDerWaalsContact O-N 3.11Å; Q567-E571 PolarHBondContact O-N 2.97Å; Q567-Y608 HydrophobicContact CG-CE2 3.96Å; Q567-R611 VanDerWaalsContact OE1-NH2 3.15Å
568	A	92.9	Very high	96	Very high	7 Å²	7	26 Å²	26	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-33.9	175.2	0	0	0	0	0	111.6	V530 F533 L561 N565 A572	V530-A568 HydrophobicContact CG1-CB 4.34Å; V530-A568 HydrophobicContact CG2-CB 4.06Å; F533-A568 HydrophobicContact CD2-CB 3.78Å; F533-A568 HydrophobicContact CE2-CB 3.41Å; F533-A568 VanDerWaalsContact CE2-CB 3.41Å; F533-A568 HydrophobicContact CZ-CB 4.4Å; L561-A568 HydrophobicContact CD1-CB 3.98Å; N565-A568 HydrophobicContact CB-CB 4.03Å; N565-A568 PolarHBondContact OD1-N 2.71Å; N565-A568 VanDerWaalsContact OD1-N 3.13Å; A568-A572 WeakPolarHBondContact O-CB 3.29Å; A568-A572 PolarHBondContact O-N 3.27Å
569	A	95.6	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-45.7	172.7	0	0	0	0	0	112.2	M555 L561 N565 V566 Q567 E571 A572 L573 L602	M555-A569 HydrophobicContact CE-CB 3.6Å; L561-A569 HydrophobicContact CD2-CB 4.36Å; L561-A569 HydrophobicContact CG-CB 3.92Å; N565-A569 WeakPolarHBondContact O-CB 3.1Å; N565-A569 PolarHBondContact O-N 3.37Å; V566-A569 WeakPolarHBondContact O-CB 3.33Å; V566-A569 PolarHBondContact O-N 3.43Å; Q567-A569 PolarHBondContact O-N 3.4Å; A569-E571 VanDerWaalsContact C-N 3.34Å; A569-A572 PolarHBondContact O-N 3.37Å; A569-L573 VanDerWaalsContact O-CG 3.32Å; A569-L573 WeakPolarHBondContact O-CG 3.4Å; A569-L573 PolarHBondContact O-N 2.71Å; A569-L602 HydrophobicContact CB-CD1 4.04Å; A569-L602 HydrophobicContact CB-CD2 4.03Å
570	D	94.4	Very high	96.1	Very high	48 Å²	48	26.6 Å²	26.6	26%	0.257	13%	0.132	S	C	.	.	H	α-helix	trans	-63.7	-37.6	177.1	-170	51.5	0	0	0	112.4	V566 Q567 L573 P574 K599 L602	V566-D570 PolarHBondContact O-N 3.05Å; Q567-D570 PolarHBondContact O-N 2.79Å; Q567-D570 VanDerWaalsContact O-N 3.11Å; D570-L573 WeakPolarHBondContact O-CB 3.3Å; D570-L573 PolarHBondContact O-N 2.87Å; D570-P574 WeakPolarHBondContact O-CD 3.22Å; D570-K599 VanDerWaalsContact OD1-CE 3.29Å; D570-K599 WeakPolarHBondContact OD1-CE 3.33Å; D570-L602 HydrophobicContact CB-CD1 3.88Å
571	E	94.8	Very high	96.2	Very high	123 Å²	123	26.6 Å²	26.6	58%	0.575	13%	0.131	S	C	*	.	H	α-helix	trans	-64.4	-41.9	174.2	-172.8	-176.2	160	0	0	112.2	Q567 A569 L573 P574	Q567-E571 PolarHBondContact O-N 2.97Å; A569-E571 VanDerWaalsContact C-N 3.34Å; E571-L573 VanDerWaalsContact C-N 3.31Å; E571-L573 PolarHBondContact O-N 3.04Å; E571-P574 WeakPolarHBondContact O-CD 3.32Å
572	A	96.1	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-23.3	178.6	0	0	0	0	0	113.3	L529 V530 L561 A568 A569 R575 I576	L529-A572 HydrophobicContact CB-CB 4.14Å; V530-A572 HydrophobicContact CB-CB 4.46Å; L561-A572 HydrophobicContact CD2-CB 3.74Å; A568-A572 WeakPolarHBondContact O-CB 3.29Å; A568-A572 PolarHBondContact O-N 3.27Å; A569-A572 PolarHBondContact O-N 3.37Å; A572-R575 PolarHBondContact O-N 3.42Å; A572-I576 HydrophobicContact CB-CD1 4.11Å; A572-I576 WeakPolarHBondContact O-CG1 3.41Å; A572-I576 PolarHBondContact O-N 2.96Å
573	L	96.7	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-50.5	-170.5	-90.7	-178.9	0	0	0	114.5	A551 M555 A569 D570 E571 R575 I576 V577 L595 A598 K599 L602	A551-L573 HydrophobicContact CB-CD2 4.35Å; M555-L573 HydrophobicContact CE-CD1 4.13Å; M555-L573 HydrophobicContact CE-CD2 3.79Å; M555-L573 HydrophobicContact CE-CG 3.9Å; M555-L573 HydrophobicContact SD-CD2 3.61Å; M555-L573 HydrophobicContact SD-CG 4.35Å; A569-L573 VanDerWaalsContact O-CG 3.32Å; A569-L573 WeakPolarHBondContact O-CG 3.4Å; A569-L573 PolarHBondContact O-N 2.71Å; D570-L573 WeakPolarHBondContact O-CB 3.3Å; D570-L573 PolarHBondContact O-N 2.87Å; E571-L573 VanDerWaalsContact C-N 3.31Å; E571-L573 PolarHBondContact O-N 3.04Å; L573-R575 PolarHBondContact O-N 3.22Å; L573-I576 PolarHBondContact O-N 2.72Å; L573-V577 WeakPolarHBondContact O-CG2 3.19Å; L573-V577 PolarHBondContact O-N 2.91Å; L573-L595 HydrophobicContact CB-CD1 3.88Å; L573-A598 HydrophobicContact CD1-CB 3.85Å; L573-A598 HydrophobicContact CD2-CB 3.6Å; L573-A598 HydrophobicContact CG-CB 4.39Å; L573-K599 HydrophobicContact CD1-CG 4.04Å; L573-L602 HydrophobicContact CD1-CD1 3.8Å
574	P	97.6	Very high	96.3	Very high	68 Å²	68	42 Å²	42	44%	0.442	20%	0.202	S	C	.	.	H	α-helix	trans	-55.7	-38.8	178.9	-26.7	35.1	0	0	0	112.5	D570 E571 Q578 L595	D570-P574 WeakPolarHBondContact O-CD 3.22Å; E571-P574 WeakPolarHBondContact O-CD 3.32Å; P574-Q578 WeakPolarHBondContact O-CB 3.26Å; P574-Q578 PolarHBondContact O-N 3.21Å; P574-L595 HydrophobicContact CG-CD1 4.46Å
575	R	97.9	Very high	96.3	Very high	78 Å²	78	48.9 Å²	48.9	29%	0.294	24%	0.239	S	C	.	.	H	α-helix	trans	-71.7	-41.6	179.6	-172.7	57.1	176.3	161.9	5.4	112	L529 E537 A572 L573 Q578 I579	L529-R575 HydrophobicContact CD2-CG 4.14Å; E537-R575 IonicContact OE1-CZ 2.97Å; E537-R575 IonicContact OE1-NE 2.99Å; E537-R575 PolarHBondContact OE1-NE 2.58Å; E537-R575 IonicContact OE1-NH2 2.96Å; E537-R575 PolarHBondContact OE1-NH2 3.17Å; E537-R575 IonicContact OE2-CZ 3.75Å; E537-R575 IonicContact OE2-NE 3.83Å; E537-R575 IonicContact OE2-NH2 3.59Å; E537-R575 PolarHBondContact OE2-NH2 3.39Å; A572-R575 PolarHBondContact O-N 3.42Å; L573-R575 PolarHBondContact O-N 3.22Å; R575-Q578 VanDerWaalsContact NH1-CD 3.3Å; R575-Q578 PolarHBondContact O-N 2.91Å; R575-I579 HydrophobicContact CG-CD1 4.11Å; R575-I579 WeakPolarHBondContact O-CG1 3.42Å; R575-I579 PolarHBondContact O-N 2.71Å
576	I	98.4	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-50.9	174.1	-67.3	168.1	0	0	0	110.2	L529 V540 A551 V554 M555 A572 L573 Q578 I579 M580	L529-I576 HydrophobicContact CD1-CD1 4.3Å; L529-I576 HydrophobicContact CD1-CG1 4.1Å; L529-I576 HydrophobicContact CD2-CG1 4.05Å; V540-I576 HydrophobicContact CG1-CG2 4.22Å; V540-I576 HydrophobicContact CG2-CG1 4.17Å; A551-I576 HydrophobicContact CB-CG2 4.34Å; V554-I576 HydrophobicContact CB-CG2 4.11Å; V554-I576 HydrophobicContact CG1-CD1 4.49Å; V554-I576 HydrophobicContact CG1-CG2 4.11Å; V554-I576 HydrophobicContact CG2-CG2 4.48Å; M555-I576 HydrophobicContact CB-CD1 4.37Å; A572-I576 HydrophobicContact CB-CD1 4.11Å; A572-I576 WeakPolarHBondContact O-CG1 3.41Å; A572-I576 PolarHBondContact O-N 2.96Å; L573-I576 PolarHBondContact O-N 2.72Å; I576-Q578 VanDerWaalsContact C-N 3.29Å; I576-Q578 PolarHBondContact O-N 3.02Å; I576-I579 PolarHBondContact O-N 3.12Å; I576-M580 HydrophobicContact CG2-CG 4.31Å; I576-M580 HydrophobicContact CG2-SD 3.98Å; I576-M580 WeakPolarHBondContact O-CG 3.37Å; I576-M580 PolarHBondContact O-N 3.45Å
577	V	98.4	Very high	96.6	Very high	8 Å²	8	52.3 Å²	52.3	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-37.7	179.3	171.5	0	0	0	0	111.4	A551 L573 G581 W586 R591 E594 L595	A551-V577 HydrophobicContact CB-CG2 3.88Å; L573-V577 WeakPolarHBondContact O-CG2 3.19Å; L573-V577 PolarHBondContact O-N 2.91Å; V577-G581 WeakPolarHBondContact O-CA 3.29Å; V577-G581 PolarHBondContact O-N 3.13Å; V577-W586 HydrophobicContact CG1-CZ3 4.38Å; V577-R591 HydrophobicContact CG1-CB 3.77Å; V577-R591 HydrophobicContact CG1-CG 4.06Å; V577-R591 WeakPolarHBondContact CG1-O 3.43Å; V577-E594 HydrophobicContact CG2-CB 4.5Å; V577-L595 HydrophobicContact CG2-CB 4.36Å; V577-L595 HydrophobicContact CG2-CD1 4.33Å
578	Q	98.2	Very high	96.9	Very high	102 Å²	102	54.9 Å²	54.9	48%	0.477	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-44.8	176.1	-174.2	-175.1	16	0	0	112.1	P574 R575 I576 K582	P574-Q578 WeakPolarHBondContact O-CB 3.26Å; P574-Q578 PolarHBondContact O-N 3.21Å; R575-Q578 VanDerWaalsContact NH1-CD 3.3Å; R575-Q578 PolarHBondContact O-N 2.91Å; I576-Q578 VanDerWaalsContact C-N 3.29Å; I576-Q578 PolarHBondContact O-N 3.02Å; Q578-K582 WeakPolarHBondContact O-CB 3.49Å; Q578-K582 PolarHBondContact O-N 3.27Å; Q578-K582 VanDerWaalsContact O-N 3.11Å
579	I	98.3	Very high	97.1	Very high	19 Å²	19	61.3 Å²	61.3	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-67.5	-51.3	179.7	-66.1	163.9	0	0	0	110	L529 E537 V540 L541 R575 I576 G581 K582 E583	L529-I579 HydrophobicContact CD2-CD1 4.39Å; E537-I579 HydrophobicContact CB-CD1 3.72Å; E537-I579 HydrophobicContact CG-CD1 3.72Å; V540-I579 HydrophobicContact CB-CB 4.5Å; V540-I579 HydrophobicContact CB-CG2 4.01Å; V540-I579 HydrophobicContact CG1-CB 4.06Å; V540-I579 HydrophobicContact CG1-CG2 3.79Å; V540-I579 HydrophobicContact CG2-CD1 4.36Å; L541-I579 HydrophobicContact CD2-CG2 3.64Å; L541-I579 HydrophobicContact CG-CG2 4.03Å; R575-I579 HydrophobicContact CG-CD1 4.11Å; R575-I579 WeakPolarHBondContact O-CG1 3.42Å; R575-I579 PolarHBondContact O-N 2.71Å; I576-I579 PolarHBondContact O-N 3.12Å; I579-G581 VanDerWaalsContact C-N 3.33Å; I579-G581 PolarHBondContact O-N 2.78Å; I579-K582 PolarHBondContact O-N 3.22Å; I579-E583 PolarHBondContact O-N 3.13Å
580	M	98.4	Very high	97.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-60.3	-44.4	178	-68.2	-170.7	74.2	0	0	111.5	V540 I544 V554 I576 K582 E583 L584 W586	V540-M580 HydrophobicContact CG1-CG 3.54Å; V540-M580 HydrophobicContact CG1-SD 4.49Å; I544-M580 HydrophobicContact CD1-CG 4.3Å; I544-M580 HydrophobicContact CG1-CE 4.4Å; V554-M580 HydrophobicContact CB-SD 4.49Å; V554-M580 HydrophobicContact CG2-CE 4.12Å; V554-M580 HydrophobicContact CG2-SD 3.55Å; V554-M580 VanDerWaalsContact CG2-SD 3.55Å; I576-M580 HydrophobicContact CG2-CG 4.31Å; I576-M580 HydrophobicContact CG2-SD 3.98Å; I576-M580 WeakPolarHBondContact O-CG 3.37Å; I576-M580 PolarHBondContact O-N 3.45Å; M580-K582 PolarHBondContact O-N 3.03Å; M580-E583 PolarHBondContact O-N 3.38Å; M580-L584 HydrophobicContact CE-CD1 3.9Å; M580-L584 VanDerWaalsContact O-CB 3.3Å; M580-L584 WeakPolarHBondContact O-CB 3.38Å; M580-L584 PolarHBondContact O-N 3.18Å; M580-W586 HydrophobicContact CB-CE3 4.36Å; M580-W586 HydrophobicContact CB-CH2 3.65Å; M580-W586 HydrophobicContact CB-CZ2 4.25Å; M580-W586 HydrophobicContact CB-CZ3 3.7Å; M580-W586 HydrophobicContact CE-CH2 3.79Å; M580-W586 HydrophobicContact CE-CZ2 4.05Å; M580-W586 HydrophobicContact CG-CH2 4.45Å; M580-W586 HydrophobicContact SD-CH2 4.01Å
581	G	98	Very high	97.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-68.3	-20.3	-179.6	0	0	0	0	0	113.9	V577 I579 W586 R591	V577-G581 WeakPolarHBondContact O-CA 3.29Å; V577-G581 PolarHBondContact O-N 3.13Å; I579-G581 VanDerWaalsContact C-N 3.33Å; I579-G581 PolarHBondContact O-N 2.78Å; G581-W586 PolarHBondContact O-N 3.34Å; G581-R591 VanDerWaalsContact C-NH2 3.3Å; G581-R591 PolarHBondContact O-NH2 2.98Å
582	K	97.5	Very high	97.4	Very high	157 Å²	157	62.2 Å²	62.2	68%	0.683	30%	0.304	S	S	*	.	H	α-helix	trans	-77.9	-49.5	168.6	-176.3	-175.4	175.9	-173	0	110.8	Q578 I579 M580 N585	Q578-K582 WeakPolarHBondContact O-CB 3.49Å; Q578-K582 PolarHBondContact O-N 3.27Å; Q578-K582 VanDerWaalsContact O-N 3.11Å; I579-K582 PolarHBondContact O-N 3.22Å; M580-K582 PolarHBondContact O-N 3.03Å; K582-N585 PolarHBondContact O-N 3.38Å
583	E	97.2	Very high	97.5	Very high	109 Å²	109	66.5 Å²	66.5	51%	0.509	32%	0.324	S	S	.	.	H	α-helix	trans	-70	-39	-174.1	-167.2	64.9	-163.9	0	0	112.6	L541 I544 I579 M580	L541-E583 HydrophobicContact CD2-CB 4.3Å; L541-E583 HydrophobicContact CD2-CG 4.19Å; I544-E583 HydrophobicContact CD1-CB 3.69Å; I544-E583 HydrophobicContact CD1-CG 3.7Å; I579-E583 PolarHBondContact O-N 3.13Å; M580-E583 PolarHBondContact O-N 3.38Å
584	L	96	Very high	97.5	Very high	59 Å²	59	67 Å²	67	31%	0.309	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	6.5	179.8	-61.5	174.4	0	0	0	113.2	I544 M580 W586	I544-L584 HydrophobicContact CD1-CG 4.28Å; I544-L584 HydrophobicContact CG2-CD2 3.8Å; I544-L584 HydrophobicContact CG2-CG 4.48Å; M580-L584 HydrophobicContact CE-CD1 3.9Å; M580-L584 VanDerWaalsContact O-CB 3.3Å; M580-L584 WeakPolarHBondContact O-CB 3.38Å; M580-L584 PolarHBondContact O-N 3.18Å; L584-W586 VanDerWaalsContact C-N 3.34Å; L584-W586 HydrophobicContact CB-CG 4.43Å; L584-W586 HydrophobicContact CD1-CH2 4.45Å; L584-W586 HydrophobicContact CD1-CZ2 3.52Å; L584-W586 PolarHBondContact O-N 3.19Å
585	N	96.6	Very high	97.5	Very high	145 Å²	145	65.8 Å²	65.8	78%	0.775	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	43.9	-179.6	-59	-64	0	0	0	114.1	K582	K582-N585 PolarHBondContact O-N 3.38Å
586	W	97.3	Very high	97.4	Very high	34 Å²	34	67.9 Å²	67.9	13%	0.129	33%	0.329	C	S	.	.			trans	-70.9	138.7	178.2	-66	-13.4	0	0	0	112.3	C549 V577 M580 G581 L584 K590 R591 E594	C549-W586 WeakPolarHBondContact O-CZ2 3.41Å; V577-W586 HydrophobicContact CG1-CZ3 4.38Å; M580-W586 HydrophobicContact CB-CE3 4.36Å; M580-W586 HydrophobicContact CB-CH2 3.65Å; M580-W586 HydrophobicContact CB-CZ2 4.25Å; M580-W586 HydrophobicContact CB-CZ3 3.7Å; M580-W586 HydrophobicContact CE-CH2 3.79Å; M580-W586 HydrophobicContact CE-CZ2 4.05Å; M580-W586 HydrophobicContact CG-CH2 4.45Å; M580-W586 HydrophobicContact SD-CH2 4.01Å; G581-W586 PolarHBondContact O-N 3.34Å; L584-W586 VanDerWaalsContact C-N 3.34Å; L584-W586 HydrophobicContact CB-CG 4.43Å; L584-W586 HydrophobicContact CD1-CH2 4.45Å; L584-W586 HydrophobicContact CD1-CZ2 3.52Å; L584-W586 PolarHBondContact O-N 3.19Å; W586-K590 HydrophobicContact CB-CB 4.09Å; W586-K590 HydrophobicContact CB-CG 4Å; W586-K590 HydrophobicContact CD2-CG 4.09Å; W586-K590 HydrophobicContact CG-CB 4.42Å; W586-K590 HydrophobicContact CG-CG 3.78Å; W586-R591 HydrophobicContact CB-CG 4Å; W586-R591 HydrophobicContact CE3-CG 4.25Å; W586-R591 PolarHBondContact O-NE 3.24Å; W586-E594 HydrophobicContact CE3-CG 4.12Å; W586-E594 HydrophobicContact CH2-CB 4.36Å; W586-E594 HydrophobicContact CH2-CG 3.76Å; W586-E594 HydrophobicContact CZ2-CG 4.29Å; W586-E594 HydrophobicContact CZ3-CB 3.96Å; W586-E594 HydrophobicContact CZ3-CG 3.68Å
587	S	97.3	Very high	97.3	Very high	66 Å²	66	70.1 Å²	70.1	46%	0.462	35%	0.347	S	S	.	.			trans	-62.4	162.3	167	69.8	0	0	0	0	111.1	E589 K590 R591	S587-E589 PolarHBondContact O-N 3.48Å; S587-K590 PolarHBondContact O-N 3.2Å; S587-K590 WeakPolarHBondContact OG-CB 3.42Å; S587-K590 PolarHBondContact OG-N 3.33Å; S587-K590 VanDerWaalsContact OG-N 3.1Å; S587-R591 WeakPolarHBondContact O-CG 3.34Å; S587-R591 PolarHBondContact O-N 3.16Å
588	Q	97.1	Very high	97.3	Very high	130 Å²	130	69.7 Å²	69.7	61%	0.607	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-36.4	176	-172.3	57.6	36.6	0	0	111.8	R591 T592	Q588-R591 PolarHBondContact O-N 2.84Å; Q588-T592 PolarHBondContact O-N 3.44Å; Q588-T592 VanDerWaalsContact O-N 3.09Å; Q588-T592 PolarHBondContact O-OG1 3.2Å
589	E	97.2	Very high	97.1	Very high	141 Å²	141	69.3 Å²	69.3	66%	0.659	34%	0.342	S	S	*	.	H	α-helix	trans	-59.7	-50.4	173.6	-177.1	174.2	-153.6	0	0	111.2	S587 R591 T592 E593	S587-E589 PolarHBondContact O-N 3.48Å; E589-R591 VanDerWaalsContact C-N 3.28Å; E589-R591 PolarHBondContact O-N 2.66Å; E589-T592 WeakPolarHBondContact O-CB 3.34Å; E589-T592 PolarHBondContact O-N 3.18Å; E589-E593 WeakPolarHBondContact O-CG 3.34Å; E589-E593 PolarHBondContact O-N 2.53Å
590	K	96.3	Very high	97	Very high	61 Å²	61	73.2 Å²	73.2	27%	0.265	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-36.4	178.3	-177.6	54.6	172.5	165.9	0	112.6	W586 S587 E593 E594	W586-K590 HydrophobicContact CB-CB 4.09Å; W586-K590 HydrophobicContact CB-CG 4Å; W586-K590 HydrophobicContact CD2-CG 4.09Å; W586-K590 HydrophobicContact CG-CB 4.42Å; W586-K590 HydrophobicContact CG-CG 3.78Å; S587-K590 PolarHBondContact O-N 3.2Å; S587-K590 WeakPolarHBondContact OG-CB 3.42Å; S587-K590 PolarHBondContact OG-N 3.33Å; S587-K590 VanDerWaalsContact OG-N 3.1Å; K590-E593 WeakPolarHBondContact CD-OE2 3.19Å; K590-E593 IonicContact NZ-OE2 3.73Å; K590-E593 PolarHBondContact O-N 2.93Å; K590-E594 HydrophobicContact CD-CG 4.13Å; K590-E594 VanDerWaalsContact CE-OE1 3.24Å; K590-E594 WeakPolarHBondContact CE-OE1 3.47Å; K590-E594 HydrophobicContact CG-CG 4.44Å; K590-E594 IonicContact NZ-OE1 2.84Å; K590-E594 PolarHBondContact NZ-OE1 2.93Å; K590-E594 WeakPolarHBondContact O-CB 3.48Å; K590-E594 VanDerWaalsContact O-CG 3.27Å; K590-E594 WeakPolarHBondContact O-CG 3.18Å; K590-E594 PolarHBondContact O-N 3.39Å
591	R	97.9	Very high	96.9	Very high	69 Å²	69	73.7 Å²	73.7	26%	0.26	36%	0.363	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.4	-69.2	171.8	-171.8	-166.2	-3.6	111.8	V577 G581 W586 S587 Q588 E589 L595	V577-R591 HydrophobicContact CG1-CB 3.77Å; V577-R591 HydrophobicContact CG1-CG 4.06Å; V577-R591 WeakPolarHBondContact CG1-O 3.43Å; G581-R591 VanDerWaalsContact C-NH2 3.3Å; G581-R591 PolarHBondContact O-NH2 2.98Å; W586-R591 HydrophobicContact CB-CG 4Å; W586-R591 HydrophobicContact CE3-CG 4.25Å; W586-R591 PolarHBondContact O-NE 3.24Å; S587-R591 WeakPolarHBondContact O-CG 3.34Å; S587-R591 PolarHBondContact O-N 3.16Å; Q588-R591 PolarHBondContact O-N 2.84Å; E589-R591 VanDerWaalsContact C-N 3.28Å; E589-R591 PolarHBondContact O-N 2.66Å; R591-L595 WeakPolarHBondContact O-CB 3.37Å; R591-L595 PolarHBondContact O-N 2.91Å
592	T	97.7	Very high	96.8	Very high	60 Å²	60	73.9 Å²	73.9	37%	0.368	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-47.1	175.8	-56.8	0	0	0	0	110.8	Q588 E589 E594 L595 E596	Q588-T592 PolarHBondContact O-N 3.44Å; Q588-T592 VanDerWaalsContact O-N 3.09Å; Q588-T592 PolarHBondContact O-OG1 3.2Å; E589-T592 WeakPolarHBondContact O-CB 3.34Å; E589-T592 PolarHBondContact O-N 3.18Å; T592-E594 PolarHBondContact O-N 2.97Å; T592-L595 PolarHBondContact O-N 3.05Å; T592-E596 HydrophobicContact CG2-CG 4.45Å; T592-E596 WeakPolarHBondContact O-CG 3.27Å; T592-E596 PolarHBondContact O-N 2.62Å
593	E	96.9	Very high	96.5	Very high	90 Å²	90	69.7 Å²	69.7	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-57	-46.6	176.5	-69.9	175.6	176.4	0	0	112.4	E589 K590 L595 E596 A597	E589-E593 WeakPolarHBondContact O-CG 3.34Å; E589-E593 PolarHBondContact O-N 2.53Å; K590-E593 WeakPolarHBondContact CD-OE2 3.19Å; K590-E593 IonicContact NZ-OE2 3.73Å; K590-E593 PolarHBondContact O-N 2.93Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 2.72Å; E593-E596 PolarHBondContact O-N 2.83Å; E593-A597 VanDerWaalsContact O-CB 3.25Å; E593-A597 WeakPolarHBondContact O-CB 3.42Å; E593-A597 PolarHBondContact O-N 2.88Å
594	E	97.4	Very high	96.2	Very high	12 Å²	12	67 Å²	67	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-64.8	-39.2	179.2	-73.9	-68	139.1	0	0	112	T550 A551 V577 W586 K590 T592 A598	T550-E594 VanDerWaalsContact CA-OE2 3.31Å; T550-E594 WeakPolarHBondContact CA-OE2 3.35Å; T550-E594 VanDerWaalsContact CB-OE2 3.26Å; T550-E594 WeakPolarHBondContact CB-OE2 3.42Å; A551-E594 PolarHBondContact N-OE2 2.81Å; A551-E594 VanDerWaalsContact N-OE2 3.16Å; V577-E594 HydrophobicContact CG2-CB 4.5Å; W586-E594 HydrophobicContact CE3-CG 4.12Å; W586-E594 HydrophobicContact CH2-CB 4.36Å; W586-E594 HydrophobicContact CH2-CG 3.76Å; W586-E594 HydrophobicContact CZ2-CG 4.29Å; W586-E594 HydrophobicContact CZ3-CB 3.96Å; W586-E594 HydrophobicContact CZ3-CG 3.68Å; K590-E594 HydrophobicContact CD-CG 4.13Å; K590-E594 VanDerWaalsContact CE-OE1 3.24Å; K590-E594 WeakPolarHBondContact CE-OE1 3.47Å; K590-E594 HydrophobicContact CG-CG 4.44Å; K590-E594 IonicContact NZ-OE1 2.84Å; K590-E594 PolarHBondContact NZ-OE1 2.93Å; K590-E594 WeakPolarHBondContact O-CB 3.48Å; K590-E594 VanDerWaalsContact O-CG 3.27Å; K590-E594 WeakPolarHBondContact O-CG 3.18Å; K590-E594 PolarHBondContact O-N 3.39Å; T592-E594 PolarHBondContact O-N 2.97Å; E594-A598 VanDerWaalsContact O-CB 3.24Å; E594-A598 WeakPolarHBondContact O-CB 3.45Å; E594-A598 PolarHBondContact O-N 2.83Å
595	L	97.3	Very high	96.1	Very high	42 Å²	42	64.9 Å²	64.9	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.5	-175.3	64.1	0	0	0	111.2	L573 P574 V577 R591 T592 E593 A598 K599	L573-L595 HydrophobicContact CB-CD1 3.88Å; P574-L595 HydrophobicContact CG-CD1 4.46Å; V577-L595 HydrophobicContact CG2-CB 4.36Å; V577-L595 HydrophobicContact CG2-CD1 4.33Å; R591-L595 WeakPolarHBondContact O-CB 3.37Å; R591-L595 PolarHBondContact O-N 2.91Å; T592-L595 PolarHBondContact O-N 3.05Å; E593-L595 VanDerWaalsContact C-N 3.35Å; E593-L595 PolarHBondContact O-N 2.72Å; L595-A598 PolarHBondContact O-N 3.02Å; L595-K599 HydrophobicContact CG-CD 4.47Å; L595-K599 WeakPolarHBondContact O-CB 3.45Å; L595-K599 VanDerWaalsContact O-CG 3.3Å; L595-K599 WeakPolarHBondContact O-CG 3.37Å; L595-K599 PolarHBondContact O-N 3.03Å
596	E	96.8	Very high	96	Very high	122 Å²	122	58 Å²	58	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-64.5	-46.4	177.6	-73.2	178.8	-178.4	0	0	111.6	T592 E593 A598 K599 M600	T592-E596 HydrophobicContact CG2-CG 4.45Å; T592-E596 WeakPolarHBondContact O-CG 3.27Å; T592-E596 PolarHBondContact O-N 2.62Å; E593-E596 PolarHBondContact O-N 2.83Å; E596-A598 VanDerWaalsContact C-N 3.32Å; E596-A598 PolarHBondContact O-N 3.48Å; E596-K599 PolarHBondContact O-N 2.93Å; E596-M600 VanDerWaalsContact O-CG 3.31Å; E596-M600 WeakPolarHBondContact O-CG 3.42Å; E596-M600 PolarHBondContact O-N 2.89Å
597	A	96.6	Very high	95.4	Very high	46 Å²	46	56.8 Å²	56.8	38%	0.38	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-43.2	177	0	0	0	0	0	111.7	E593 M600 F601	E593-A597 VanDerWaalsContact O-CB 3.25Å; E593-A597 WeakPolarHBondContact O-CB 3.42Å; E593-A597 PolarHBondContact O-N 2.88Å; A597-M600 PolarHBondContact O-N 3.49Å; A597-F601 PolarHBondContact O-N 3.11Å
598	A	97.3	Very high	94.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.5	-38.9	177.7	0	0	0	0	0	112.6	A551 I552 M555 L573 E594 L595 E596 F601 L602	A551-A598 HydrophobicContact CB-CB 4.24Å; I552-A598 HydrophobicContact CG1-CB 4.01Å; M555-A598 HydrophobicContact SD-CB 4.12Å; L573-A598 HydrophobicContact CD1-CB 3.85Å; L573-A598 HydrophobicContact CD2-CB 3.6Å; L573-A598 HydrophobicContact CG-CB 4.39Å; E594-A598 VanDerWaalsContact O-CB 3.24Å; E594-A598 WeakPolarHBondContact O-CB 3.45Å; E594-A598 PolarHBondContact O-N 2.83Å; L595-A598 PolarHBondContact O-N 3.02Å; E596-A598 VanDerWaalsContact C-N 3.32Å; E596-A598 PolarHBondContact O-N 3.48Å; A598-F601 WeakPolarHBondContact O-CB 3.19Å; A598-F601 PolarHBondContact O-N 3.43Å; A598-L602 WeakPolarHBondContact O-CG 3.46Å; A598-L602 PolarHBondContact O-N 3.49Å
599	K	95.4	Very high	93.3	Very high	93 Å²	93	55 Å²	55	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-41.3	172.6	-77.3	-177.7	175	-165.9	0	112.1	D570 L573 L595 E596 F601 L602 Y603	D570-K599 VanDerWaalsContact OD1-CE 3.29Å; D570-K599 WeakPolarHBondContact OD1-CE 3.33Å; L573-K599 HydrophobicContact CD1-CG 4.04Å; L595-K599 HydrophobicContact CG-CD 4.47Å; L595-K599 WeakPolarHBondContact O-CB 3.45Å; L595-K599 VanDerWaalsContact O-CG 3.3Å; L595-K599 WeakPolarHBondContact O-CG 3.37Å; L595-K599 PolarHBondContact O-N 3.03Å; E596-K599 PolarHBondContact O-N 2.93Å; K599-F601 VanDerWaalsContact C-N 3.35Å; K599-L602 PolarHBondContact O-N 2.91Å; K599-Y603 VanDerWaalsContact O-CB 3.28Å; K599-Y603 WeakPolarHBondContact O-CB 3.44Å; K599-Y603 PolarHBondContact O-N 3.4Å
600	M	95.3	Very high	91.5	Very high	101 Å²	101	48.9 Å²	48.9	50%	0.498	23%	0.232	S	C	.	.	H	α-helix	trans	-66.2	-37.4	176.2	-70	-59.4	-75.7	0	0	112.2	E596 A597 Y603 H604	E596-M600 VanDerWaalsContact O-CG 3.31Å; E596-M600 WeakPolarHBondContact O-CG 3.42Å; E596-M600 PolarHBondContact O-N 2.89Å; A597-M600 PolarHBondContact O-N 3.49Å; M600-Y603 PolarHBondContact O-N 2.89Å; M600-H604 WeakPolarHBondContact CE-NE2 3.44Å; M600-H604 PolarHBondContact O-CD2 3.14Å; M600-H604 PolarHBondContact O-N 3.43Å
601	F	96.5	Very high	89.7	Confident	10 Å²	10	48.7 Å²	48.7	4%	0.044	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-48.3	171.9	169.2	-96.6	0	0	0	111.7	I552 M555 A556 A597 A598 K599 Y603 E605 M606	I552-F601 HydrophobicContact CD1-CB 3.79Å; I552-F601 HydrophobicContact CD1-CG 4.17Å; I552-F601 HydrophobicContact CG1-CB 4.21Å; I552-F601 HydrophobicContact CG1-CG 4.33Å; I552-F601 HydrophobicContact CG2-CD1 4Å; I552-F601 HydrophobicContact CG2-CD2 4.02Å; I552-F601 HydrophobicContact CG2-CE1 4.09Å; I552-F601 HydrophobicContact CG2-CE2 4.12Å; I552-F601 HydrophobicContact CG2-CG 3.96Å; I552-F601 HydrophobicContact CG2-CZ 4.15Å; M555-F601 HydrophobicContact SD-CD1 4.42Å; A556-F601 HydrophobicContact CB-CE1 3.72Å; A556-F601 HydrophobicContact CB-CZ 3.72Å; A597-F601 PolarHBondContact O-N 3.11Å; A598-F601 WeakPolarHBondContact O-CB 3.19Å; A598-F601 PolarHBondContact O-N 3.43Å; K599-F601 VanDerWaalsContact C-N 3.35Å; F601-Y603 VanDerWaalsContact C-N 3.29Å; F601-Y603 PolarHBondContact O-N 3.44Å; F601-E605 HydrophobicContact CD2-CB 3.94Å; F601-E605 HydrophobicContact CD2-CG 4.17Å; F601-E605 WeakPolarHBondContact CD2-OE1 3.23Å; F601-E605 HydrophobicContact CE2-CB 3.96Å; F601-E605 HydrophobicContact CE2-CG 4.49Å; F601-E605 WeakPolarHBondContact O-CA 3.31Å; F601-E605 WeakPolarHBondContact O-CB 3.44Å; F601-E605 PolarHBondContact O-N 3.27Å; F601-M606 HydrophobicContact CD1-CG 4.03Å; F601-M606 HydrophobicContact CE1-CE 4.03Å; F601-M606 HydrophobicContact CE1-CG 3.44Å; F601-M606 VanDerWaalsContact CE1-CG 3.44Å; F601-M606 HydrophobicContact CE1-SD 3.83Å; F601-M606 HydrophobicContact CE2-CE 3.74Å; F601-M606 HydrophobicContact CZ-CE 3.29Å; F601-M606 HydrophobicContact CZ-CG 3.78Å; F601-M606 HydrophobicContact CZ-SD 3.65Å; F601-M606 PolarHBondContact O-N 2.98Å
602	L	94.6	Very high	87.6	Confident	4 Å²	4	47 Å²	47	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-59.5	-42.8	173.9	-72.6	-171.4	0	0	0	111.7	M555 V566 A569 D570 L573 A598 K599 M606 Y608	M555-L602 HydrophobicContact CE-CD1 3.7Å; M555-L602 HydrophobicContact CE-CD2 3.31Å; M555-L602 HydrophobicContact CE-CG 3.6Å; M555-L602 HydrophobicContact SD-CD2 4.4Å; V566-L602 HydrophobicContact CG1-CB 3.63Å; V566-L602 HydrophobicContact CG1-CD1 3.91Å; V566-L602 HydrophobicContact CG1-CD2 3.8Å; V566-L602 HydrophobicContact CG1-CG 3.97Å; A569-L602 HydrophobicContact CB-CD1 4.04Å; A569-L602 HydrophobicContact CB-CD2 4.03Å; D570-L602 HydrophobicContact CB-CD1 3.88Å; L573-L602 HydrophobicContact CD1-CD1 3.8Å; A598-L602 WeakPolarHBondContact O-CG 3.46Å; A598-L602 PolarHBondContact O-N 3.49Å; K599-L602 PolarHBondContact O-N 2.91Å; L602-M606 HydrophobicContact CD2-CB 4.24Å; L602-M606 HydrophobicContact CD2-CG 4.02Å; L602-Y608 WeakPolarHBondContact O-CB 3.46Å; L602-Y608 PolarHBondContact O-N 2.96Å
603	Y	91.1	Very high	85.5	Confident	69 Å²	69	47 Å²	47	27%	0.271	22%	0.224	S	C	.	.	H	α-helix	trans	-60.2	-54.3	-178.5	-165.5	-103	0	0	0	112.3	K599 M600 F601 Y608 R609	K599-Y603 VanDerWaalsContact O-CB 3.28Å; K599-Y603 WeakPolarHBondContact O-CB 3.44Å; K599-Y603 PolarHBondContact O-N 3.4Å; M600-Y603 PolarHBondContact O-N 2.89Å; F601-Y603 VanDerWaalsContact C-N 3.29Å; F601-Y603 PolarHBondContact O-N 3.44Å; Y603-Y608 AromaticContact CD2-CD1 3.82Å; Y603-Y608 HydrophobicContact CD2-CD1 3.82Å; Y603-Y608 HydrophobicContact CE2-CD1 4.28Å; Y603-R609 HydrophobicContact CD1-CB 3.77Å; Y603-R609 HydrophobicContact CD1-CG 4.28Å; Y603-R609 HydrophobicContact CD2-CB 4.23Å; Y603-R609 HydrophobicContact CE1-CB 3.5Å; Y603-R609 VanDerWaalsContact CE1-CB 3.5Å; Y603-R609 HydrophobicContact CE1-CG 3.56Å; Y603-R609 HydrophobicContact CE2-CB 3.97Å; Y603-R609 HydrophobicContact CE2-CG 4.5Å; Y603-R609 HydrophobicContact CG-CB 4.12Å; Y603-R609 WeakPolarHBondContact O-CB 3.48Å; Y603-R609 PolarHBondContact O-N 2.91Å
604	H	91.3	Very high	83.2	Confident	52 Å²	52	47.7 Å²	47.7	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-91.6	-43.6	-171.8	-69.8	-66.4	0	0	0	113.7	I369 M600	I369-H604 HydrophobicContact CD1-CB 4.17Å; I369-H604 HydrophobicContact CG1-CB 4.26Å; I369-H604 WeakPolarHBondContact CG2-O 3.14Å; M600-H604 WeakPolarHBondContact CE-NE2 3.44Å; M600-H604 PolarHBondContact O-CD2 3.14Å; M600-H604 PolarHBondContact O-N 3.43Å
605	E	94.9	Very high	80.7	Confident	16 Å²	16	49.8 Å²	49.8	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-97	-24.6	-166.4	-59.9	-171.7	-128.6	0	0	113.4	R113 H367 P370 F601	R113-E605 IonicContact CZ-OE2 2.74Å; R113-E605 IonicContact NH1-OE2 2.76Å; R113-E605 IonicContact NH2-OE2 3.22Å; R113-E605 PolarHBondContact NH2-OE2 2.99Å; H367-E605 HydrophobicContact CB-CG 4.39Å; H367-E605 IonicContact CE1-OE1 3.17Å; H367-E605 IonicContact CG-OE1 3.9Å; H367-E605 IonicContact ND1-OE1 2.75Å; H367-E605 PolarHBondContact ND1-OE1 3.45Å; P370-E605 WeakPolarHBondContact CD-O 3.28Å; F601-E605 HydrophobicContact CD2-CB 3.94Å; F601-E605 HydrophobicContact CD2-CG 4.17Å; F601-E605 WeakPolarHBondContact CD2-OE1 3.23Å; F601-E605 HydrophobicContact CE2-CB 3.96Å; F601-E605 HydrophobicContact CE2-CG 4.49Å; F601-E605 WeakPolarHBondContact O-CA 3.31Å; F601-E605 WeakPolarHBondContact O-CB 3.44Å; F601-E605 PolarHBondContact O-N 3.27Å
606	M	94.6	Very high	78.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.249	C	C	.	.	S	Bend	trans	-103.6	7.4	-179	-55.4	-66.7	105.5	0	0	113.8	A400 W401 F563 V566 F601 L602	A400-M606 PolarHBondContact N-O 2.68Å; A400-M606 CarbonylContact O-C 3.59Å; A400-M606 WeakPolarHBondContact O-CA 3.48Å; W401-M606 HydrophobicContact CB-CE 4.05Å; F563-M606 HydrophobicContact CD1-SD 4.42Å; F563-M606 HydrophobicContact CD2-SD 3.91Å; F563-M606 HydrophobicContact CE1-CE 4.42Å; F563-M606 HydrophobicContact CE1-SD 4.41Å; F563-M606 HydrophobicContact CE2-CE 4.19Å; F563-M606 HydrophobicContact CE2-SD 3.89Å; F563-M606 HydrophobicContact CG-SD 4.18Å; F563-M606 HydrophobicContact CZ-CE 4.01Å; F563-M606 HydrophobicContact CZ-SD 4.16Å; V566-M606 HydrophobicContact CG2-CB 3.72Å; V566-M606 VanDerWaalsContact CG2-O 3.26Å; V566-M606 WeakPolarHBondContact CG2-O 3.44Å; F601-M606 HydrophobicContact CD1-CG 4.03Å; F601-M606 HydrophobicContact CE1-CE 4.03Å; F601-M606 HydrophobicContact CE1-CG 3.44Å; F601-M606 VanDerWaalsContact CE1-CG 3.44Å; F601-M606 HydrophobicContact CE1-SD 3.83Å; F601-M606 HydrophobicContact CE2-CE 3.74Å; F601-M606 HydrophobicContact CZ-CE 3.29Å; F601-M606 HydrophobicContact CZ-CG 3.78Å; F601-M606 HydrophobicContact CZ-SD 3.65Å; F601-M606 PolarHBondContact O-N 2.98Å; L602-M606 HydrophobicContact CD2-CB 4.24Å; L602-M606 HydrophobicContact CD2-CG 4.02Å
607	G	83.7	Confident	75.3	Confident	8 Å²	8	54.5 Å²	54.5	8%	0.082	26%	0.259	C	S	.	.	S	Bend	trans	85.4	15.8	169.3	0	0	0	0	0	116.1	A400 S610	A400-G607 PolarHBondContact O-N 3.26Å; G607-S610 WeakPolarHBondContact O-CB 3.37Å
608	Y	80.2	Confident	72.7	Confident	67 Å²	67	55.5 Å²	55.5	26%	0.263	26%	0.262	S	S	.	.	H	α-helix	trans	-69.2	-42.9	176.2	-161	-96.5	0	0	0	112.6	V566 Q567 L602 Y603 S610 R611 S612	V566-Y608 HydrophobicContact CB-CD2 3.95Å; V566-Y608 HydrophobicContact CG1-CD2 3.41Å; V566-Y608 VanDerWaalsContact CG1-CD2 3.41Å; V566-Y608 HydrophobicContact CG1-CE2 4.28Å; V566-Y608 HydrophobicContact CG1-CG 4.02Å; Q567-Y608 HydrophobicContact CG-CE2 3.96Å; L602-Y608 WeakPolarHBondContact O-CB 3.46Å; L602-Y608 PolarHBondContact O-N 2.96Å; Y603-Y608 AromaticContact CD2-CD1 3.82Å; Y603-Y608 HydrophobicContact CD2-CD1 3.82Å; Y603-Y608 HydrophobicContact CE2-CD1 4.28Å; Y608-S610 PolarHBondContact O-N 2.98Å; Y608-R611 WeakPolarHBondContact O-CA 3.4Å; Y608-R611 VanDerWaalsContact O-CB 3.28Å; Y608-R611 WeakPolarHBondContact O-CB 3.28Å; Y608-R611 PolarHBondContact O-N 3.43Å; Y608-S612 WeakPolarHBondContact CD1-OG 3.33Å; Y608-S612 WeakPolarHBondContact CE1-OG 3.28Å; Y608-S612 PolarHBondContact O-N 2.77Å; Y608-S612 PolarHBondContact O-OG 3.17Å
609	R	70.8	Confident	70.1	Confident	92 Å²	92	57.5 Å²	57.5	35%	0.347	28%	0.276	S	S	.	.	H	α-helix	trans	-50.3	-49.6	176.6	173.1	-176.6	177.5	170.9	14.9	111.6	Y603 R611 S612 E613	Y603-R609 HydrophobicContact CD1-CB 3.77Å; Y603-R609 HydrophobicContact CD1-CG 4.28Å; Y603-R609 HydrophobicContact CD2-CB 4.23Å; Y603-R609 HydrophobicContact CE1-CB 3.5Å; Y603-R609 VanDerWaalsContact CE1-CB 3.5Å; Y603-R609 HydrophobicContact CE1-CG 3.56Å; Y603-R609 HydrophobicContact CE2-CB 3.97Å; Y603-R609 HydrophobicContact CE2-CG 4.5Å; Y603-R609 HydrophobicContact CG-CB 4.12Å; Y603-R609 WeakPolarHBondContact O-CB 3.48Å; Y603-R609 PolarHBondContact O-N 2.91Å; R609-R611 PolarHBondContact O-N 2.77Å; R609-S612 CarbonylContact O-C 3.2Å; R609-S612 PolarHBondContact O-N 3.22Å; R609-E613 VanDerWaalsContact CG-CD 3.48Å; R609-E613 HydrophobicContact CG-CG 3.85Å; R609-E613 IonicContact CZ-OE1 3.53Å; R609-E613 IonicContact CZ-OE2 3.6Å; R609-E613 IonicContact NE-OE1 2.73Å; R609-E613 PolarHBondContact NE-OE1 2.85Å; R609-E613 IonicContact NE-OE2 2.72Å; R609-E613 PolarHBondContact NE-OE2 3.16Å; R609-E613 IonicContact NH2-OE1 2.99Å; R609-E613 PolarHBondContact NH2-OE1 2.88Å; R609-E613 IonicContact NH2-OE2 3.45Å; R609-E613 PolarHBondContact NH2-OE2 3.5Å; R609-E613 WeakPolarHBondContact O-CB 3.07Å; R609-E613 PolarHBondContact O-N 3.43Å
610	S	58.6	Low	67.3	Low	13 Å²	13	61.6 Å²	61.6	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-50.8	-33.2	175.8	-99.3	0	0	0	0	113.4	E372 G607 Y608	E372-S610 WeakPolarHBondContact CG-OG 3.38Å; E372-S610 WeakPolarHBondContact OE1-CA 3.38Å; E372-S610 WeakPolarHBondContact OE1-CB 3.31Å; E372-S610 PolarHBondContact OE1-OG 2.87Å; G607-S610 WeakPolarHBondContact O-CB 3.37Å; Y608-S610 PolarHBondContact O-N 2.98Å
611	R	58.4	Low	65.2	Low	56 Å²	56	58.8 Å²	58.8	21%	0.211	28%	0.284	C	S	.	.	H	α-helix	trans	-81.3	-46.7	171.4	-170.3	176	175.1	179.8	-6.3	111.9	Q567 Y608 R609	Q567-R611 VanDerWaalsContact OE1-NH2 3.15Å; Y608-R611 WeakPolarHBondContact O-CA 3.4Å; Y608-R611 VanDerWaalsContact O-CB 3.28Å; Y608-R611 WeakPolarHBondContact O-CB 3.28Å; Y608-R611 PolarHBondContact O-N 3.43Å; R609-R611 PolarHBondContact O-N 2.77Å
612	S	55.1	Low	62.7	Low	33 Å²	33	66.6 Å²	66.6	23%	0.231	32%	0.32	C	S	.	.	H	α-helix	trans	-71.4	-35.9	-176.6	-53.7	0	0	0	0	115.2	Y608 R609 L615 T616	Y608-S612 WeakPolarHBondContact CD1-OG 3.33Å; Y608-S612 WeakPolarHBondContact CE1-OG 3.28Å; Y608-S612 PolarHBondContact O-N 2.77Å; Y608-S612 PolarHBondContact O-OG 3.17Å; R609-S612 CarbonylContact O-C 3.2Å; R609-S612 PolarHBondContact O-N 3.22Å; S612-L615 WeakPolarHBondContact O-CB 3.44Å; S612-L615 PolarHBondContact O-N 3.27Å; S612-T616 PolarHBondContact O-N 3.21Å; S612-T616 VanDerWaalsContact O-N 3.15Å; S612-T616 PolarHBondContact O-OG1 2.79Å
613	E	52.9	Low	60.8	Low	60 Å²	60	68.3 Å²	68.3	28%	0.28	33%	0.329	S	S	.	.	H	α-helix	trans	-76.3	-24.4	-176.8	-78.2	-172.8	166.7	0	0	113.4	R609 T616 K617	R609-E613 VanDerWaalsContact CG-CD 3.48Å; R609-E613 HydrophobicContact CG-CG 3.85Å; R609-E613 IonicContact CZ-OE1 3.53Å; R609-E613 IonicContact CZ-OE2 3.6Å; R609-E613 IonicContact NE-OE1 2.73Å; R609-E613 PolarHBondContact NE-OE1 2.85Å; R609-E613 IonicContact NE-OE2 2.72Å; R609-E613 PolarHBondContact NE-OE2 3.16Å; R609-E613 IonicContact NH2-OE1 2.99Å; R609-E613 PolarHBondContact NH2-OE1 2.88Å; R609-E613 IonicContact NH2-OE2 3.45Å; R609-E613 PolarHBondContact NH2-OE2 3.5Å; R609-E613 WeakPolarHBondContact O-CB 3.07Å; R609-E613 PolarHBondContact O-N 3.43Å; E613-T616 VanDerWaalsContact CA-OG1 3.3Å; E613-T616 WeakPolarHBondContact CA-OG1 3.47Å; E613-T616 PolarHBondContact O-N 2.69Å; E613-T616 PolarHBondContact O-OG1 3.11Å; E613-T616 VanDerWaalsContact O-OG1 3.13Å; E613-K617 VanDerWaalsContact O-CB 3.29Å; E613-K617 WeakPolarHBondContact O-CB 3.48Å; E613-K617 PolarHBondContact O-N 3.19Å
614	R	48.7	Very low	59	Low	106 Å²	106	70 Å²	70	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-76.9	-33.3	173.3	-153.2	-177.2	-75	-147.8	-2.9	110.4	E372 D376 T616 S618	E372-R614 IonicContact OE2-CZ 3.86Å; E372-R614 IonicContact OE2-NE 3.57Å; E372-R614 IonicContact OE2-NH2 3.29Å; E372-R614 PolarHBondContact OE2-NH2 3.48Å; D376-R614 IonicContact OD1-CZ 3.59Å; D376-R614 IonicContact OD1-NH1 3.48Å; D376-R614 IonicContact OD1-NH2 2.75Å; D376-R614 PolarHBondContact OD1-NH2 3.46Å; D376-R614 IonicContact OD2-CZ 3.6Å; D376-R614 IonicContact OD2-NH1 3.19Å; D376-R614 PolarHBondContact OD2-NH1 2.73Å; D376-R614 IonicContact OD2-NH2 2.87Å; D376-R614 PolarHBondContact OD2-NH2 3.3Å; R614-T616 VanDerWaalsContact C-N 3.32Å; R614-S618 VanDerWaalsContact O-CB 3.32Å; R614-S618 WeakPolarHBondContact O-CB 3.31Å; R614-S618 PolarHBondContact O-N 3.36Å; R614-S618 VanDerWaalsContact O-N 3.12Å; R614-S618 PolarHBondContact O-OG 2.9Å
615	L	45.7	Very low	57.2	Low	55 Å²	55	75.4 Å²	75.4	29%	0.288	36%	0.362	S	S	.	.	H	α-helix	trans	-56.7	-47.9	166.5	-74	158.6	0	0	0	109.7	S612 S618 S619	S612-L615 WeakPolarHBondContact O-CB 3.44Å; S612-L615 PolarHBondContact O-N 3.27Å; L615-S618 PolarHBondContact O-OG 2.95Å; L615-S619 WeakPolarHBondContact O-CB 3.34Å; L615-S619 PolarHBondContact O-OG 3.38Å
616	T	41.1	Very low	55.5	Low	87 Å²	87	81.7 Å²	81.7	53%	0.534	39%	0.392	S	S	.	.	H	α-helix	trans	-76.8	-40.1	-178.9	56.2	0	0	0	0	115.5	S612 E613 R614 S618 S619	S612-T616 PolarHBondContact O-N 3.21Å; S612-T616 VanDerWaalsContact O-N 3.15Å; S612-T616 PolarHBondContact O-OG1 2.79Å; E613-T616 VanDerWaalsContact CA-OG1 3.3Å; E613-T616 WeakPolarHBondContact CA-OG1 3.47Å; E613-T616 PolarHBondContact O-N 2.69Å; E613-T616 PolarHBondContact O-OG1 3.11Å; E613-T616 VanDerWaalsContact O-OG1 3.13Å; R614-T616 VanDerWaalsContact C-N 3.32Å; T616-S618 VanDerWaalsContact C-N 3.29Å; T616-S618 PolarHBondContact O-N 3.09Å; T616-S619 VanDerWaalsContact CA-OG 3.22Å; T616-S619 WeakPolarHBondContact CA-OG 3.38Å; T616-S619 CarbonylContact O-C 3.57Å; T616-S619 WeakPolarHBondContact O-CA 3.49Å; T616-S619 PolarHBondContact O-N 3.33Å; T616-S619 PolarHBondContact O-OG 3.17Å
617	K	39.7	Very low	54.1	Low	177 Å²	177	84.5 Å²	84.5	77%	0.77	41%	0.407	S	S	*	.	H	α-helix	trans	-67.2	-27.1	175.8	-91.7	-179.1	174	173.4	0	113.5	E613	E613-K617 VanDerWaalsContact O-CB 3.29Å; E613-K617 WeakPolarHBondContact O-CB 3.48Å; E613-K617 PolarHBondContact O-N 3.19Å
618	S	41.5	Very low	53	Low	66 Å²	66	86.4 Å²	86.4	46%	0.462	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	3.4	169.9	66.6	0	0	0	0	113.1	R614 L615 T616 R689	R614-S618 VanDerWaalsContact O-CB 3.32Å; R614-S618 WeakPolarHBondContact O-CB 3.31Å; R614-S618 PolarHBondContact O-N 3.36Å; R614-S618 VanDerWaalsContact O-N 3.12Å; R614-S618 PolarHBondContact O-OG 2.9Å; L615-S618 PolarHBondContact O-OG 2.95Å; T616-S618 VanDerWaalsContact C-N 3.29Å; T616-S618 PolarHBondContact O-N 3.09Å; S618-R689 PolarHBondContact O-NH1 3.03Å
619	S	42.3	Very low	52.2	Low	42 Å²	42	87 Å²	87	29%	0.294	42%	0.422	S	S	.	.			trans	-138.4	51.1	-176.4	58.3	0	0	0	0	113.6	L615 T616 I621	L615-S619 WeakPolarHBondContact O-CB 3.34Å; L615-S619 PolarHBondContact O-OG 3.38Å; T616-S619 VanDerWaalsContact CA-OG 3.22Å; T616-S619 WeakPolarHBondContact CA-OG 3.38Å; T616-S619 CarbonylContact O-C 3.57Å; T616-S619 WeakPolarHBondContact O-CA 3.49Å; T616-S619 PolarHBondContact O-N 3.33Å; T616-S619 PolarHBondContact O-OG 3.17Å; S619-I621 PolarHBondContact O-N 3.34Å
620	E	37.2	Very low	52.3	Low	180 Å²	180	88.9 Å²	88.9	84%	0.841	43%	0.43	S	S	*	.			trans	-68.9	80.7	152.8	-76.5	-174.9	178	0	0	108.7
621	I	49.5	Very low	53.1	Low	42 Å²	42	88.6 Å²	88.6	22%	0.215	43%	0.426	C	S	.	.			trans	-102.3	111.9	169.7	-46.8	179.7	0	0	0	106.8	S619 L623 R689 Y692	S619-I621 PolarHBondContact O-N 3.34Å; I621-L623 HydrophobicContact CG2-CD1 3.93Å; I621-L623 HydrophobicContact CG2-CD2 4.23Å; I621-L623 HydrophobicContact CG2-CG 3.68Å; I621-L623 PolarHBondContact O-N 3.08Å; I621-R689 HydrophobicContact CD1-CB 3.89Å; I621-R689 HydrophobicContact CD1-CG 4.09Å; I621-Y692 HydrophobicContact CG2-CD1 3.61Å; I621-Y692 HydrophobicContact CG2-CD2 3.77Å; I621-Y692 HydrophobicContact CG2-CE1 3.83Å; I621-Y692 HydrophobicContact CG2-CE2 3.95Å; I621-Y692 HydrophobicContact CG2-CG 3.55Å
622	H	44.2	Very low	54	Low	173 Å²	173	90.3 Å²	90.3	80%	0.801	44%	0.435	S	S	*	.			trans	-79.8	97.1	170.7	-84.2	-76.5	0	0	0	109.2
623	L	54.8	Low	55	Low	40 Å²	40	93.7 Å²	93.7	21%	0.209	45%	0.451	C	S	.	.			trans	-109.1	134.8	173.1	-70.6	167.4	0	0	0	110	I621 D627 V628 Y631 L688 Y692	I621-L623 HydrophobicContact CG2-CD1 3.93Å; I621-L623 HydrophobicContact CG2-CD2 4.23Å; I621-L623 HydrophobicContact CG2-CG 3.68Å; I621-L623 PolarHBondContact O-N 3.08Å; L623-D627 HydrophobicContact CD2-CB 4.07Å; L623-V628 HydrophobicContact CB-CG2 3.64Å; L623-V628 HydrophobicContact CD1-CG2 4.18Å; L623-Y631 HydrophobicContact CD1-CD2 4.43Å; L623-Y631 HydrophobicContact CD2-CD2 4.44Å; L623-Y631 HydrophobicContact CD2-CE2 3.83Å; L623-L688 HydrophobicContact CD1-CD2 4.08Å; L623-Y692 HydrophobicContact CD2-CD2 3.4Å; L623-Y692 VanDerWaalsContact CD2-CD2 3.4Å; L623-Y692 HydrophobicContact CD2-CE2 3.95Å; L623-Y692 HydrophobicContact CD2-CG 4.28Å; L623-Y692 HydrophobicContact CG-CD2 4.3Å
624	D	54.2	Low	56.2	Low	105 Å²	105	95.5 Å²	95.5	56%	0.561	46%	0.455	S	S	*	.			trans	-71.3	155.4	167.8	-172.7	18.7	0	0	0	110.2	Q626 D627 V628	D624-Q626 PolarHBondContact O-N 3.27Å; D624-Q626 VanDerWaalsContact O-N 3.14Å; D624-D627 PolarHBondContact O-N 3.4Å; D624-V628 PolarHBondContact O-N 3.2Å
625	Y	53.9	Low	57.7	Low	165 Å²	165	90.7 Å²	90.7	65%	0.647	44%	0.437	S	S	*	.	H	α-helix	trans	-56.9	-32.7	-175.9	-178.1	-98.9	0	0	0	112.8	M629	Y625-M629 HydrophobicContact CE1-CE 4.32Å; Y625-M629 HydrophobicContact CE1-CG 4.18Å; Y625-M629 PolarHBondContact O-N 3.02Å; Y625-M629 VanDerWaalsContact OH-CE 3.28Å; Y625-M629 WeakPolarHBondContact OH-CE 3.46Å
626	Q	59.5	Low	59.4	Low	149 Å²	149	91.9 Å²	91.9	70%	0.696	44%	0.441	S	S	*	.	H	α-helix	trans	-68.7	-36.9	177.7	-64.4	-168.1	-8.2	0	0	112.7	D624 R630	D624-Q626 PolarHBondContact O-N 3.27Å; D624-Q626 VanDerWaalsContact O-N 3.14Å; Q626-R630 WeakPolarHBondContact O-CB 3.36Å; Q626-R630 PolarHBondContact O-N 3.13Å
627	D	63.3	Low	61.2	Low	59 Å²	59	94.4 Å²	94.4	32%	0.316	45%	0.445	S	S	.	.	H	α-helix	trans	-72.1	-40.7	179	-66.7	-39.1	0	0	0	111.4	L623 D624 M629 R630 Y631	L623-D627 HydrophobicContact CD2-CB 4.07Å; D624-D627 PolarHBondContact O-N 3.4Å; D627-M629 VanDerWaalsContact C-N 3.32Å; D627-M629 PolarHBondContact O-N 3.07Å; D627-R630 WeakPolarHBondContact O-CB 3.4Å; D627-R630 PolarHBondContact O-N 3.38Å; D627-Y631 HydrophobicContact CB-CD2 4.45Å; D627-Y631 HydrophobicContact CB-CE2 4.06Å; D627-Y631 WeakPolarHBondContact O-CD2 3.2Å; D627-Y631 VanDerWaalsContact O-CG 3.29Å; D627-Y631 PolarHBondContact O-N 3.34Å
628	V	62.2	Low	63	Low	47 Å²	47	88.5 Å²	88.5	29%	0.285	42%	0.419	S	S	.	.	H	α-helix	trans	-59.3	-44.7	174.9	178.7	0	0	0	0	110.8	L623 D624 Y631 K632	L623-V628 HydrophobicContact CB-CG2 3.64Å; L623-V628 HydrophobicContact CD1-CG2 4.18Å; D624-V628 PolarHBondContact O-N 3.2Å; V628-Y631 PolarHBondContact O-N 3.19Å; V628-K632 VanDerWaalsContact O-CB 3.26Å; V628-K632 WeakPolarHBondContact O-CB 3.15Å; V628-K632 PolarHBondContact O-N 3.05Å
629	M	63.2	Low	64.9	Low	79 Å²	79	85.4 Å²	85.4	39%	0.389	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-39.3	177.1	-78.8	-63.3	-151.7	0	0	112.6	Y625 D627 K632 N633	Y625-M629 HydrophobicContact CE1-CE 4.32Å; Y625-M629 HydrophobicContact CE1-CG 4.18Å; Y625-M629 PolarHBondContact O-N 3.02Å; Y625-M629 VanDerWaalsContact OH-CE 3.28Å; Y625-M629 WeakPolarHBondContact OH-CE 3.46Å; D627-M629 VanDerWaalsContact C-N 3.32Å; D627-M629 PolarHBondContact O-N 3.07Å; M629-K632 PolarHBondContact O-N 2.7Å; M629-N633 PolarHBondContact O-N 2.84Å; M629-N633 PolarHBondContact O-ND2 3.47Å
630	R	71.8	Confident	66.4	Low	133 Å²	133	90.6 Å²	90.6	50%	0.502	42%	0.415	S	S	.	.	H	α-helix	trans	-62.8	-44.8	175.8	-175	-180	177.2	-152	-3.5	111.6	Q626 D627 N633 R634	Q626-R630 WeakPolarHBondContact O-CB 3.36Å; Q626-R630 PolarHBondContact O-N 3.13Å; D627-R630 WeakPolarHBondContact O-CB 3.4Å; D627-R630 PolarHBondContact O-N 3.38Å; R630-N633 PolarHBondContact O-N 2.96Å; R630-R634 WeakPolarHBondContact O-CG 3.42Å; R630-R634 PolarHBondContact O-N 2.9Å
631	Y	76.4	Confident	68.2	Low	6 Å²	6	87.3 Å²	87.3	2%	0.024	40%	0.399	C	S	.	.	H	α-helix	trans	-72.6	-35.2	179.2	-61.7	-37.8	0	0	0	112.7	L623 D627 V628 N633 R634 F635 L688 L691 D695	L623-Y631 HydrophobicContact CD1-CD2 4.43Å; L623-Y631 HydrophobicContact CD2-CD2 4.44Å; L623-Y631 HydrophobicContact CD2-CE2 3.83Å; D627-Y631 HydrophobicContact CB-CD2 4.45Å; D627-Y631 HydrophobicContact CB-CE2 4.06Å; D627-Y631 WeakPolarHBondContact O-CD2 3.2Å; D627-Y631 VanDerWaalsContact O-CG 3.29Å; D627-Y631 PolarHBondContact O-N 3.34Å; V628-Y631 PolarHBondContact O-N 3.19Å; Y631-N633 VanDerWaalsContact C-N 3.34Å; Y631-N633 PolarHBondContact O-N 3.33Å; Y631-R634 PolarHBondContact O-N 3.26Å; Y631-R634 VanDerWaalsContact O-N 3.09Å; Y631-F635 PolarHBondContact O-N 3.01Å; Y631-L688 HydrophobicContact CD2-CD2 3.6Å; Y631-L688 HydrophobicContact CG-CD2 3.91Å; Y631-L691 HydrophobicContact CD1-CB 3.87Å; Y631-L691 HydrophobicContact CD1-CD1 3.57Å; Y631-L691 HydrophobicContact CD1-CG 4.38Å; Y631-L691 HydrophobicContact CE1-CB 3.75Å; Y631-L691 HydrophobicContact CE1-CD1 4.16Å; Y631-L691 HydrophobicContact CG-CB 4.42Å; Y631-L691 HydrophobicContact CG-CD1 4.21Å; Y631-D695 WeakPolarHBondContact CE1-OD2 3.33Å; Y631-D695 PolarHBondContact OH-OD2 3.28Å
632	K	76.2	Confident	69.4	Low	92 Å²	92	89.6 Å²	89.6	40%	0.4	42%	0.419	S	S	.	.	H	α-helix	trans	-59.1	-43.9	171.4	-169.5	171.8	-178.1	177.5	0	112.2	V628 M629 R634 F635 H636 F684	V628-K632 VanDerWaalsContact O-CB 3.26Å; V628-K632 WeakPolarHBondContact O-CB 3.15Å; V628-K632 PolarHBondContact O-N 3.05Å; M629-K632 PolarHBondContact O-N 2.7Å; K632-R634 VanDerWaalsContact C-N 3.28Å; K632-R634 PolarHBondContact O-N 3.09Å; K632-F635 PolarHBondContact O-N 3.29Å; K632-H636 PolarHBondContact O-CD2 3.27Å; K632-H636 PolarHBondContact O-N 3.14Å; K632-F684 HydrophobicContact CB-CE2 4.04Å; K632-F684 HydrophobicContact CB-CZ 3.76Å; K632-F684 HydrophobicContact CG-CE2 4.38Å; K632-F684 HydrophobicContact CG-CZ 4.14Å
633	N	76.9	Confident	70.9	Confident	104 Å²	104	84.8 Å²	84.8	56%	0.556	40%	0.396	S	S	*	.	H	α-helix	trans	-64.9	-30	174.8	-74.4	-25.9	0	0	0	113.1	M629 R630 Y631 K637	M629-N633 PolarHBondContact O-N 2.84Å; M629-N633 PolarHBondContact O-ND2 3.47Å; R630-N633 PolarHBondContact O-N 2.96Å; Y631-N633 VanDerWaalsContact C-N 3.34Å; Y631-N633 PolarHBondContact O-N 3.33Å; N633-K637 WeakPolarHBondContact O-CG 3.28Å
634	R	79.1	Confident	71.7	Confident	98 Å²	98	84.9 Å²	84.9	37%	0.37	41%	0.407	S	S	.	.	H	α-helix	trans	-75.1	-40.5	173.8	-68.5	176.9	88.1	176.5	4.9	111.4	R630 Y631 K632 H636 K637 F638 F687 L691	R630-R634 WeakPolarHBondContact O-CG 3.42Å; R630-R634 PolarHBondContact O-N 2.9Å; Y631-R634 PolarHBondContact O-N 3.26Å; Y631-R634 VanDerWaalsContact O-N 3.09Å; K632-R634 VanDerWaalsContact C-N 3.28Å; K632-R634 PolarHBondContact O-N 3.09Å; R634-H636 PolarHBondContact O-N 2.9Å; R634-K637 WeakPolarHBondContact O-CB 3.49Å; R634-K637 PolarHBondContact O-N 3.48Å; R634-K637 VanDerWaalsContact O-N 3.12Å; R634-F638 WeakPolarHBondContact O-CD2 3.47Å; R634-F687 HydrophobicContact CB-CE1 4.04Å; R634-F687 HydrophobicContact CB-CZ 4.12Å; R634-L691 HydrophobicContact CB-CD1 4.45Å
635	F	80.1	Confident	72.8	Confident	6 Å²	6	82.5 Å²	82.5	3%	0.026	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-46.2	177	-175.2	-96.2	0	0	0	111.8	Y631 K632 K637 F638 D639 G644 I646 F684 F687	Y631-F635 PolarHBondContact O-N 3.01Å; K632-F635 PolarHBondContact O-N 3.29Å; F635-K637 PolarHBondContact O-N 2.95Å; F635-K637 VanDerWaalsContact O-N 3.11Å; F635-F638 PolarHBondContact O-N 2.94Å; F635-D639 HydrophobicContact CD1-CB 4.31Å; F635-D639 HydrophobicContact CE1-CB 3.98Å; F635-D639 PolarHBondContact O-N 2.64Å; F635-G644 WeakPolarHBondContact CZ-O 3.49Å; F635-I646 HydrophobicContact CD2-CD1 3.4Å; F635-I646 VanDerWaalsContact CD2-CD1 3.4Å; F635-I646 HydrophobicContact CD2-CG1 4.02Å; F635-I646 HydrophobicContact CE2-CD1 3.43Å; F635-I646 VanDerWaalsContact CE2-CD1 3.43Å; F635-I646 HydrophobicContact CE2-CG1 3.6Å; F635-I646 HydrophobicContact CG-CD1 4.27Å; F635-I646 HydrophobicContact CZ-CD1 4.3Å; F635-I646 HydrophobicContact CZ-CG1 4.02Å; F635-F684 HydrophobicContact CB-CD2 3.67Å; F635-F684 HydrophobicContact CB-CE2 3.87Å; F635-F684 HydrophobicContact CD1-CB 4.41Å; F635-F684 AromaticContact CD1-CD2 3.9Å; F635-F684 HydrophobicContact CD1-CD2 3.9Å; F635-F684 HydrophobicContact CD2-CB 4.27Å; F635-F684 AromaticContact CD2-CD2 3.72Å; F635-F684 HydrophobicContact CD2-CD2 3.72Å; F635-F684 HydrophobicContact CE1-CB 4.15Å; F635-F684 HydrophobicContact CE1-CD2 4.47Å; F635-F684 VanDerWaalsContact CE2-CA 3.44Å; F635-F684 HydrophobicContact CE2-CB 3.99Å; F635-F684 HydrophobicContact CE2-CD2 4.3Å; F635-F684 HydrophobicContact CG-CB 4.47Å; F635-F684 AromaticContact CG-CD2 3.48Å; F635-F684 HydrophobicContact CG-CD2 3.48Å; F635-F684 VanDerWaalsContact CG-CD2 3.48Å; F635-F684 HydrophobicContact CG-CE2 4.2Å; F635-F684 HydrophobicContact CG-CG 4.4Å; F635-F684 HydrophobicContact CZ-CB 3.91Å; F635-F687 HydrophobicContact CB-CD1 3.85Å; F635-F687 HydrophobicContact CB-CE1 3.81Å; F635-F687 HydrophobicContact CD2-CB 3.71Å; F635-F687 AromaticContact CD2-CD1 3.7Å; F635-F687 HydrophobicContact CD2-CD1 3.7Å; F635-F687 HydrophobicContact CD2-CD2 4.22Å; F635-F687 HydrophobicContact CD2-CE1 4.31Å; F635-F687 AromaticContact CD2-CG 3.63Å; F635-F687 HydrophobicContact CD2-CG 3.63Å; F635-F687 HydrophobicContact CE2-CB 4.05Å; F635-F687 HydrophobicContact CE2-CG 4.37Å; F635-F687 HydrophobicContact CG-CD1 4.28Å
636	H	80.9	Confident	74.1	Confident	79 Å²	79	74.8 Å²	74.8	37%	0.366	36%	0.361	S	S	.	.	H	α-helix	trans	-64.1	-15.9	177	-72.6	-53.6	0	0	0	114.7	K632 R634 F638 D639	K632-H636 PolarHBondContact O-CD2 3.27Å; K632-H636 PolarHBondContact O-N 3.14Å; R634-H636 PolarHBondContact O-N 2.9Å; H636-F638 VanDerWaalsContact C-N 3.34Å; H636-D639 CarbonylContact O-C 3.58Å
637	K	78.8	Confident	75.2	Confident	141 Å²	141	69 Å²	69	61%	0.613	34%	0.336	S	S	*	.	H	α-helix	trans	-73.6	-30.4	171.8	-69.7	178.8	179.4	-172.6	0	112.2	N633 R634 F635	N633-K637 WeakPolarHBondContact O-CG 3.28Å; R634-K637 WeakPolarHBondContact O-CB 3.49Å; R634-K637 PolarHBondContact O-N 3.48Å; R634-K637 VanDerWaalsContact O-N 3.12Å; F635-K637 PolarHBondContact O-N 2.95Å; F635-K637 VanDerWaalsContact O-N 3.11Å
638	F	76.7	Confident	75.8	Confident	52 Å²	52	68.8 Å²	68.8	23%	0.228	34%	0.337	C	S	.	.	H	α-helix	trans	-85.8	-41.9	174.8	-68.2	-86.5	0	0	0	111	R634 F635 H636 K640 I646 V651 V654 F687	R634-F638 WeakPolarHBondContact O-CD2 3.47Å; F635-F638 PolarHBondContact O-N 2.94Å; H636-F638 VanDerWaalsContact C-N 3.34Å; F638-K640 PolarHBondContact O-N 3.32Å; F638-I646 HydrophobicContact CB-CB 4.48Å; F638-I646 HydrophobicContact CB-CD1 3.5Å; F638-I646 VanDerWaalsContact CB-CD1 3.5Å; F638-I646 HydrophobicContact CB-CG1 3.7Å; F638-I646 HydrophobicContact CB-CG2 3.93Å; F638-I646 HydrophobicContact CD2-CD1 4.43Å; F638-I646 HydrophobicContact CG-CD1 4.11Å; F638-V651 HydrophobicContact CD1-CG2 4.24Å; F638-V651 HydrophobicContact CE1-CG1 4.41Å; F638-V654 HydrophobicContact CD1-CB 3.75Å; F638-V654 HydrophobicContact CD1-CG1 3.91Å; F638-V654 HydrophobicContact CD1-CG2 3.71Å; F638-V654 HydrophobicContact CE1-CB 3.71Å; F638-V654 HydrophobicContact CE1-CG1 3.5Å; F638-V654 VanDerWaalsContact CE1-CG1 3.5Å; F638-V654 HydrophobicContact CE1-CG2 4.17Å; F638-V654 HydrophobicContact CG-CG2 4.28Å; F638-V654 HydrophobicContact CZ-CG1 3.94Å; F638-F687 HydrophobicContact CD2-CE2 4.07Å; F638-F687 HydrophobicContact CD2-CZ 4.09Å; F638-F687 HydrophobicContact CE2-CE2 4.21Å; F638-F687 HydrophobicContact CE2-CZ 4.18Å
639	D	81.4	Confident	76.7	Confident	2 Å²	2	70.3 Å²	70.3	1%	0.011	35%	0.346	C	S	.	.			trans	-92.4	67.9	176.7	-177.4	23.7	0	0	0	112.4	F635 H636 E641 S642 K643 G644 I646	F635-D639 HydrophobicContact CD1-CB 4.31Å; F635-D639 HydrophobicContact CE1-CB 3.98Å; F635-D639 PolarHBondContact O-N 2.64Å; H636-D639 CarbonylContact O-C 3.58Å; D639-E641 PolarHBondContact O-N 3.22Å; D639-S642 PolarHBondContact O-N 2.8Å; D639-S642 PolarHBondContact OD1-N 2.75Å; D639-S642 VanDerWaalsContact OD1-N 3.11Å; D639-S642 VanDerWaalsContact OD2-C 3.3Å; D639-S642 VanDerWaalsContact OD2-CA 3.31Å; D639-S642 WeakPolarHBondContact OD2-CA 3.39Å; D639-K643 VanDerWaalsContact CG-N 3.26Å; D639-K643 WeakPolarHBondContact OD1-CB 3.19Å; D639-K643 PolarHBondContact OD1-N 3.08Å; D639-K643 PolarHBondContact OD2-N 3.11Å; D639-G644 PolarHBondContact OD2-N 3.39Å; D639-I646 HydrophobicContact CB-CG1 4.44Å
640	K	73.5	Confident	77.5	Confident	150 Å²	150	66.7 Å²	66.7	65%	0.652	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.5	-179.9	-77.1	-172.3	179.1	176.9	0	113.8	F638 S642	F638-K640 PolarHBondContact O-N 3.32Å; K640-S642 VanDerWaalsContact C-N 3.33Å
641	E	75.4	Confident	77.8	Confident	111 Å²	111	61.3 Å²	61.3	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.7	-178.7	-69.8	163.2	-157.3	0	0	111.9	D639 K643 R653	D639-E641 PolarHBondContact O-N 3.22Å; E641-K643 VanDerWaalsContact C-N 3.26Å; E641-K643 HydrophobicContact CB-CD 3.98Å; E641-K643 HydrophobicContact CB-CG 3.84Å; E641-K643 PolarHBondContact O-N 3.49Å; E641-K643 WeakPolarHBondContact OE2-CD 3.39Å; E641-K643 VanDerWaalsContact OE2-CE 3.29Å; E641-K643 WeakPolarHBondContact OE2-CE 3.14Å; E641-K643 IonicContact OE2-NZ 3.82Å; E641-K643 PolarHBondContact OE2-NZ 3.41Å; E641-R653 IonicContact OE1-NH1 2.9Å; E641-R653 PolarHBondContact OE1-NH1 3.24Å; E641-R653 VanDerWaalsContact OE1-NH1 3.15Å
642	S	75.5	Confident	77.8	Confident	91 Å²	91	64.2 Å²	64.2	64%	0.636	32%	0.324	S	S	*	.			trans	55.5	38.7	-179.3	-56.1	0	0	0	0	113.4	D639 K640 G644	D639-S642 PolarHBondContact O-N 2.8Å; D639-S642 PolarHBondContact OD1-N 2.75Å; D639-S642 VanDerWaalsContact OD1-N 3.11Å; D639-S642 VanDerWaalsContact OD2-C 3.3Å; D639-S642 VanDerWaalsContact OD2-CA 3.31Å; D639-S642 WeakPolarHBondContact OD2-CA 3.39Å; K640-S642 VanDerWaalsContact C-N 3.33Å; S642-G644 VanDerWaalsContact C-N 3.28Å; S642-G644 PolarHBondContact O-N 3.48Å
643	K	74.9	Confident	78	Confident	71 Å²	71	65.3 Å²	65.3	31%	0.309	33%	0.326	S	S	.	.			trans	-72.2	-21.1	179.3	-65.6	176.5	-71.7	-157.8	0	112.5	D639 E641 F645 D650	D639-K643 VanDerWaalsContact CG-N 3.26Å; D639-K643 WeakPolarHBondContact OD1-CB 3.19Å; D639-K643 PolarHBondContact OD1-N 3.08Å; D639-K643 PolarHBondContact OD2-N 3.11Å; E641-K643 VanDerWaalsContact C-N 3.26Å; E641-K643 HydrophobicContact CB-CD 3.98Å; E641-K643 HydrophobicContact CB-CG 3.84Å; E641-K643 PolarHBondContact O-N 3.49Å; E641-K643 WeakPolarHBondContact OE2-CD 3.39Å; E641-K643 VanDerWaalsContact OE2-CE 3.29Å; E641-K643 WeakPolarHBondContact OE2-CE 3.14Å; E641-K643 IonicContact OE2-NZ 3.82Å; E641-K643 PolarHBondContact OE2-NZ 3.41Å; K643-F645 HydrophobicContact CB-CD1 4.19Å; K643-F645 HydrophobicContact CB-CE1 3.84Å; K643-F645 HydrophobicContact CB-CE2 4.3Å; K643-F645 HydrophobicContact CB-CZ 3.91Å; K643-F645 HydrophobicContact CD-CZ 4.43Å; K643-F645 VanDerWaalsContact O-CD1 3.28Å; K643-F645 WeakPolarHBondContact O-CD1 3.38Å; K643-F645 WeakPolarHBondContact O-CE1 3.43Å; K643-D650 IonicContact NZ-OD1 2.85Å; K643-D650 PolarHBondContact NZ-OD1 3.2Å; K643-D650 IonicContact NZ-OD2 3.97Å; K643-D650 PolarHBondContact NZ-OD2 3.18Å
644	G	72.1	Confident	78.1	Confident	42 Å²	42	61.4 Å²	61.4	43%	0.433	31%	0.306	S	S	.	.	S	Bend	trans	89.2	1.6	-178.1	0	0	0	0	0	114.5	F635 D639 S642	F635-G644 WeakPolarHBondContact CZ-O 3.49Å; D639-G644 PolarHBondContact OD2-N 3.39Å; S642-G644 VanDerWaalsContact C-N 3.28Å; S642-G644 PolarHBondContact O-N 3.48Å
645	F	76.9	Confident	78	Confident	55 Å²	55	58.1 Å²	58.1	24%	0.241	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	158.2	-179.6	57.7	-94.7	0	0	0	110.6	K643 T647 Q681 V682	K643-F645 HydrophobicContact CB-CD1 4.19Å; K643-F645 HydrophobicContact CB-CE1 3.84Å; K643-F645 HydrophobicContact CB-CE2 4.3Å; K643-F645 HydrophobicContact CB-CZ 3.91Å; K643-F645 HydrophobicContact CD-CZ 4.43Å; K643-F645 VanDerWaalsContact O-CD1 3.28Å; K643-F645 WeakPolarHBondContact O-CD1 3.38Å; K643-F645 WeakPolarHBondContact O-CE1 3.43Å; F645-T647 HydrophobicContact CD2-CG2 3.91Å; F645-T647 HydrophobicContact CE2-CG2 3.78Å; F645-Q681 HydrophobicContact CB-CB 4.03Å; F645-Q681 HydrophobicContact CD2-CB 3.88Å; F645-Q681 HydrophobicContact CD2-CG 3.84Å; F645-Q681 VanDerWaalsContact CD2-OE1 3.25Å; F645-Q681 VanDerWaalsContact CE2-CD 3.49Å; F645-Q681 HydrophobicContact CE2-CG 4.22Å; F645-Q681 HydrophobicContact CG-CB 4.17Å; F645-Q681 HydrophobicContact CG-CG 4.44Å; F645-Q681 VanDerWaalsContact CG-OE1 3.23Å; F645-V682 CarbonylContact C-O 3.56Å; F645-V682 WeakPolarHBondContact CA-O 3.31Å
646	I	81.4	Confident	77.9	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.015	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.6	-179.6	-59.8	166	0	0	0	109.2	F635 F638 D639 D650 V651 V682 F687	F635-I646 HydrophobicContact CD2-CD1 3.4Å; F635-I646 VanDerWaalsContact CD2-CD1 3.4Å; F635-I646 HydrophobicContact CD2-CG1 4.02Å; F635-I646 HydrophobicContact CE2-CD1 3.43Å; F635-I646 VanDerWaalsContact CE2-CD1 3.43Å; F635-I646 HydrophobicContact CE2-CG1 3.6Å; F635-I646 HydrophobicContact CG-CD1 4.27Å; F635-I646 HydrophobicContact CZ-CD1 4.3Å; F635-I646 HydrophobicContact CZ-CG1 4.02Å; F638-I646 HydrophobicContact CB-CB 4.48Å; F638-I646 HydrophobicContact CB-CD1 3.5Å; F638-I646 VanDerWaalsContact CB-CD1 3.5Å; F638-I646 HydrophobicContact CB-CG1 3.7Å; F638-I646 HydrophobicContact CB-CG2 3.93Å; F638-I646 HydrophobicContact CD2-CD1 4.43Å; F638-I646 HydrophobicContact CG-CD1 4.11Å; D639-I646 HydrophobicContact CB-CG1 4.44Å; I646-D650 HydrophobicContact CG2-CB 4.08Å; I646-V651 HydrophobicContact CG2-CG2 3.39Å; I646-V682 HydrophobicContact CB-CB 4.24Å; I646-V682 PolarHBondContact N-O 2.93Å; I646-V682 PolarHBondContact O-N 2.94Å; I646-F687 HydrophobicContact CD1-CD2 3.66Å; I646-F687 HydrophobicContact CD1-CE2 3.89Å; I646-F687 HydrophobicContact CD1-CG 4.26Å
647	T	81.9	Confident	77.7	Confident	28 Å²	28	62.9 Å²	62.9	17%	0.172	33%	0.327	C	S	.	.			trans	-96.6	169.4	175.9	66.8	0	0	0	0	112.7	F645 V649 D650 V651 Q681	F645-T647 HydrophobicContact CD2-CG2 3.91Å; F645-T647 HydrophobicContact CE2-CG2 3.78Å; T647-V649 PolarHBondContact O-N 2.73Å; T647-D650 WeakPolarHBondContact CB-OD2 3.2Å; T647-D650 PolarHBondContact N-OD2 3.37Å; T647-D650 PolarHBondContact O-N 3.39Å; T647-D650 VanDerWaalsContact O-N 3.12Å; T647-D650 PolarHBondContact OG1-N 2.61Å; T647-D650 PolarHBondContact OG1-OD2 3.01Å; T647-V651 PolarHBondContact O-N 2.93Å; T647-Q681 HydrophobicContact CG2-CG 4.45Å
648	T	76.8	Confident	77.7	Confident	55 Å²	55	61.2 Å²	61.2	34%	0.337	32%	0.324	S	S	.	.	H	α-helix	trans	-52.5	-42.2	171.2	51.8	0	0	0	0	112.5	V651 Q652 L671	T648-V651 PolarHBondContact O-N 2.95Å; T648-Q652 WeakPolarHBondContact O-CB 3.47Å; T648-Q652 PolarHBondContact O-N 3.43Å; T648-L671 VanDerWaalsContact CA-CD1 3.43Å; T648-L671 HydrophobicContact CG2-CD1 3.41Å; T648-L671 VanDerWaalsContact CG2-CD1 3.41Å
649	V	79.9	Confident	77.7	Confident	78 Å²	78	65.4 Å²	65.4	47%	0.473	35%	0.349	S	S	.	.	H	α-helix	trans	-67.2	-39.1	178.8	-178.1	0	0	0	0	111.4	T647 Q652 R653	T647-V649 PolarHBondContact O-N 2.73Å; V649-Q652 PolarHBondContact O-N 3.07Å; V649-R653 VanDerWaalsContact O-CB 3.27Å; V649-R653 WeakPolarHBondContact O-CB 3.34Å; V649-R653 PolarHBondContact O-N 3.43Å
650	D	81	Confident	77.4	Confident	4 Å²	4	68.4 Å²	68.4	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-66.1	-40.3	178.1	-61.6	-50.4	0	0	0	111.1	K643 I646 T647 V654	K643-D650 IonicContact NZ-OD1 2.85Å; K643-D650 PolarHBondContact NZ-OD1 3.2Å; K643-D650 IonicContact NZ-OD2 3.97Å; K643-D650 PolarHBondContact NZ-OD2 3.18Å; I646-D650 HydrophobicContact CG2-CB 4.08Å; T647-D650 WeakPolarHBondContact CB-OD2 3.2Å; T647-D650 PolarHBondContact N-OD2 3.37Å; T647-D650 PolarHBondContact O-N 3.39Å; T647-D650 VanDerWaalsContact O-N 3.12Å; T647-D650 PolarHBondContact OG1-N 2.61Å; T647-D650 PolarHBondContact OG1-OD2 3.01Å; D650-V654 WeakPolarHBondContact O-CG2 3.38Å; D650-V654 PolarHBondContact O-N 3.05Å; D650-V654 VanDerWaalsContact O-N 3.17Å
651	V	77.4	Confident	77.3	Confident	20 Å²	20	68.8 Å²	68.8	12%	0.121	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-45.5	175.2	-178.3	0	0	0	0	111.7	F638 I646 T647 T648 R653 V654 L655 L667 L671	F638-V651 HydrophobicContact CD1-CG2 4.24Å; F638-V651 HydrophobicContact CE1-CG1 4.41Å; I646-V651 HydrophobicContact CG2-CG2 3.39Å; T647-V651 PolarHBondContact O-N 2.93Å; T648-V651 PolarHBondContact O-N 2.95Å; V651-R653 VanDerWaalsContact C-N 3.34Å; V651-R653 PolarHBondContact O-N 3.02Å; V651-V654 PolarHBondContact O-N 3.03Å; V651-L655 HydrophobicContact CG1-CD1 3.77Å; V651-L655 HydrophobicContact CG1-CG 4.14Å; V651-L655 WeakPolarHBondContact O-CG 3.28Å; V651-L655 PolarHBondContact O-N 3.13Å; V651-L667 HydrophobicContact CB-CD1 4.2Å; V651-L667 HydrophobicContact CG1-CD1 3.64Å; V651-L671 HydrophobicContact CB-CD1 4.45Å; V651-L671 HydrophobicContact CG2-CD1 4.31Å; V651-L671 HydrophobicContact CG2-CD2 4.02Å
652	Q	77.8	Confident	77.3	Confident	66 Å²	66	67 Å²	67	31%	0.308	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-46.6	177.1	-176.4	173.7	-1.7	0	0	111.5	T648 V649 V654 L655 E656 L667	T648-Q652 WeakPolarHBondContact O-CB 3.47Å; T648-Q652 PolarHBondContact O-N 3.43Å; V649-Q652 PolarHBondContact O-N 3.07Å; Q652-V654 VanDerWaalsContact C-N 3.28Å; Q652-V654 PolarHBondContact O-N 3.48Å; Q652-L655 PolarHBondContact O-N 2.83Å; Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.25Å; Q652-E656 PolarHBondContact NE2-OE1 2.91Å; Q652-E656 WeakPolarHBondContact O-CB 3.29Å; Q652-E656 WeakPolarHBondContact O-CG 3.01Å; Q652-E656 PolarHBondContact O-N 3.45Å; Q652-L667 HydrophobicContact CB-CD2 3.93Å
653	R	79.2	Confident	77.4	Confident	115 Å²	115	67.3 Å²	67.3	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-59	-38.3	177.5	-170.3	-171.9	-65.5	173.9	-2.1	112.3	E641 V649 V651 S657	E641-R653 IonicContact OE1-NH1 2.9Å; E641-R653 PolarHBondContact OE1-NH1 3.24Å; E641-R653 VanDerWaalsContact OE1-NH1 3.15Å; V649-R653 VanDerWaalsContact O-CB 3.27Å; V649-R653 WeakPolarHBondContact O-CB 3.34Å; V649-R653 PolarHBondContact O-N 3.43Å; V651-R653 VanDerWaalsContact C-N 3.34Å; V651-R653 PolarHBondContact O-N 3.02Å; R653-S657 PolarHBondContact O-N 3.43Å
654	V	79.1	Confident	77.2	Confident	23 Å²	23	70.5 Å²	70.5	14%	0.139	38%	0.375	C	S	.	.	H	α-helix	trans	-73.5	-42.1	177.2	173.6	0	0	0	0	111.7	F638 D650 V651 Q652 S657 I658	F638-V654 HydrophobicContact CD1-CB 3.75Å; F638-V654 HydrophobicContact CD1-CG1 3.91Å; F638-V654 HydrophobicContact CD1-CG2 3.71Å; F638-V654 HydrophobicContact CE1-CB 3.71Å; F638-V654 HydrophobicContact CE1-CG1 3.5Å; F638-V654 VanDerWaalsContact CE1-CG1 3.5Å; F638-V654 HydrophobicContact CE1-CG2 4.17Å; F638-V654 HydrophobicContact CG-CG2 4.28Å; F638-V654 HydrophobicContact CZ-CG1 3.94Å; D650-V654 WeakPolarHBondContact O-CG2 3.38Å; D650-V654 PolarHBondContact O-N 3.05Å; D650-V654 VanDerWaalsContact O-N 3.17Å; V651-V654 PolarHBondContact O-N 3.03Å; Q652-V654 VanDerWaalsContact C-N 3.28Å; Q652-V654 PolarHBondContact O-N 3.48Å; V654-S657 WeakPolarHBondContact O-CB 3.42Å; V654-S657 PolarHBondContact O-N 3.34Å; V654-S657 VanDerWaalsContact O-N 3.15Å; V654-S657 PolarHBondContact O-OG 2.9Å; V654-I658 PolarHBondContact O-N 3.36Å
655	L	77.1	Confident	77.1	Confident	29 Å²	29	73.9 Å²	73.9	15%	0.152	38%	0.383	C	S	.	.	H	α-helix	trans	-63.9	-40	178.3	-70.4	173.5	0	0	0	112.2	V651 Q652 S657 I658 N659 V660 I662 L667	V651-L655 HydrophobicContact CG1-CD1 3.77Å; V651-L655 HydrophobicContact CG1-CG 4.14Å; V651-L655 WeakPolarHBondContact O-CG 3.28Å; V651-L655 PolarHBondContact O-N 3.13Å; Q652-L655 PolarHBondContact O-N 2.83Å; L655-S657 VanDerWaalsContact C-N 3.29Å; L655-S657 PolarHBondContact O-N 3.17Å; L655-I658 HydrophobicContact CD2-CD1 4.21Å; L655-I658 CarbonylContact O-C 3.33Å; L655-I658 WeakPolarHBondContact O-CG1 2.99Å; L655-I658 PolarHBondContact O-N 3.23Å; L655-N659 PolarHBondContact O-N 2.82Å; L655-V660 CarbonylContact C-O 3.58Å; L655-V660 HydrophobicContact CD2-CB 4.46Å; L655-V660 HydrophobicContact CD2-CG1 4.37Å; L655-V660 PolarHBondContact O-N 2.95Å; L655-I662 HydrophobicContact CD1-CD1 3.59Å; L655-I662 HydrophobicContact CD1-CG1 4.08Å; L655-I662 HydrophobicContact CD2-CD1 4.38Å; L655-L667 HydrophobicContact CD1-CD1 4.16Å
656	E	78.4	Confident	76.8	Confident	99 Å²	99	72.8 Å²	72.8	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-61.6	-37.9	172.6	-73.6	172.5	-178.2	0	0	111.6	Q652 I658 N659	Q652-E656 HydrophobicContact CG-CG 4.48Å; Q652-E656 WeakPolarHBondContact CG-OE1 3.25Å; Q652-E656 PolarHBondContact NE2-OE1 2.91Å; Q652-E656 WeakPolarHBondContact O-CB 3.29Å; Q652-E656 WeakPolarHBondContact O-CG 3.01Å; Q652-E656 PolarHBondContact O-N 3.45Å; E656-I658 PolarHBondContact O-N 3.48Å; E656-N659 PolarHBondContact O-N 2.96Å; E656-N659 VanDerWaalsContact O-N 3.13Å
657	S	76.3	Confident	76.4	Confident	85 Å²	85	73.2 Å²	73.2	59%	0.594	39%	0.386	S	S	*	.	H	α-helix	trans	-67.8	-16.8	178.2	78.9	0	0	0	0	114.6	R653 V654 L655	R653-S657 PolarHBondContact O-N 3.43Å; V654-S657 WeakPolarHBondContact O-CB 3.42Å; V654-S657 PolarHBondContact O-N 3.34Å; V654-S657 VanDerWaalsContact O-N 3.15Å; V654-S657 PolarHBondContact O-OG 2.9Å; L655-S657 VanDerWaalsContact C-N 3.29Å; L655-S657 PolarHBondContact O-N 3.17Å
658	I	79.4	Confident	75.9	Confident	107 Å²	107	76.9 Å²	76.9	55%	0.549	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	14.6	175.3	62.4	172.4	0	0	0	112.7	V654 L655 E656 V660	V654-I658 PolarHBondContact O-N 3.36Å; L655-I658 HydrophobicContact CD2-CD1 4.21Å; L655-I658 CarbonylContact O-C 3.33Å; L655-I658 WeakPolarHBondContact O-CG1 2.99Å; L655-I658 PolarHBondContact O-N 3.23Å; E656-I658 PolarHBondContact O-N 3.48Å; I658-V660 VanDerWaalsContact C-N 3.3Å; I658-V660 HydrophobicContact CD1-CG2 4.13Å; I658-V660 HydrophobicContact CG1-CB 4.28Å; I658-V660 HydrophobicContact CG1-CG2 4Å; I658-V660 PolarHBondContact O-N 2.94Å
659	N	75.3	Confident	75.7	Confident	139 Å²	139	80.6 Å²	80.6	74%	0.743	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	32.1	176.5	-143.1	46	0	0	0	114.3	L655 E656	L655-N659 PolarHBondContact O-N 2.82Å; E656-N659 PolarHBondContact O-N 2.96Å; E656-N659 VanDerWaalsContact O-N 3.13Å
660	V	76.3	Confident	75.2	Confident	65 Å²	65	80.7 Å²	80.7	39%	0.394	41%	0.412	S	S	.	.			trans	-108.4	119.3	176	176.9	0	0	0	0	108.9	L655 I658 I662	L655-V660 CarbonylContact C-O 3.58Å; L655-V660 HydrophobicContact CD2-CB 4.46Å; L655-V660 HydrophobicContact CD2-CG1 4.37Å; L655-V660 PolarHBondContact O-N 2.95Å; I658-V660 VanDerWaalsContact C-N 3.3Å; I658-V660 HydrophobicContact CD1-CG2 4.13Å; I658-V660 HydrophobicContact CG1-CB 4.28Å; I658-V660 HydrophobicContact CG1-CG2 4Å; I658-V660 PolarHBondContact O-N 2.94Å; V660-I662 HydrophobicContact CG1-CD1 4.39Å; V660-I662 HydrophobicContact CG1-CG1 4.03Å
661	H	70.7	Confident	74.8	Confident	158 Å²	158	81.3 Å²	81.3	73%	0.731	42%	0.415	S	S	*	.			trans	-101.2	123.5	174.9	-69.6	-65.6	0	0	0	110.4
662	I	74.8	Confident	74.4	Confident	74 Å²	74	82.7 Å²	82.7	38%	0.379	42%	0.422	S	S	.	.			trans	-119.7	139.7	174.6	-56	-171.9	0	0	0	107.3	L655 V660 A666 L667	L655-I662 HydrophobicContact CD1-CD1 3.59Å; L655-I662 HydrophobicContact CD1-CG1 4.08Å; L655-I662 HydrophobicContact CD2-CD1 4.38Å; V660-I662 HydrophobicContact CG1-CD1 4.39Å; V660-I662 HydrophobicContact CG1-CG1 4.03Å; I662-A666 HydrophobicContact CG2-CB 3.89Å; I662-L667 HydrophobicContact CG2-CB 4.32Å
663	D	78.1	Confident	74	Confident	97 Å²	97	86.6 Å²	86.6	52%	0.519	44%	0.44	S	S	.	.			trans	-61.2	143.5	174.3	-177	73.5	0	0	0	111.3	N665 A666 L667	D663-N665 VanDerWaalsContact C-N 3.26Å; D663-N665 PolarHBondContact O-N 3.13Å; D663-N665 VanDerWaalsContact OD2-CB 3.27Å; D663-N665 WeakPolarHBondContact OD2-CB 3.25Å; D663-N665 PolarHBondContact OD2-N 3Å; D663-N665 PolarHBondContact OD2-ND2 3.33Å; D663-A666 HydrophobicContact CB-CB 4.22Å; D663-A666 PolarHBondContact O-N 3.48Å; D663-A666 VanDerWaalsContact O-N 3.14Å; D663-L667 PolarHBondContact O-N 3.43Å
664	E	71	Confident	73.7	Confident	138 Å²	138	82.2 Å²	82.2	65%	0.645	43%	0.426	S	S	*	.	H	α-helix	trans	-59.1	-35.9	-177.8	-77.4	-175.9	171.7	0	0	112.6	L667 H668	E664-L667 PolarHBondContact O-N 3.44Å; E664-H668 WeakPolarHBondContact O-CB 3.4Å; E664-H668 PolarHBondContact O-N 3.28Å
665	N	70.4	Confident	73.3	Confident	113 Å²	113	81.4 Å²	81.4	60%	0.604	42%	0.421	S	S	*	.	H	α-helix	trans	-70.5	-41.2	178.4	-55.6	-65.4	0	0	0	111	D663 L667 H668 E669	D663-N665 VanDerWaalsContact C-N 3.26Å; D663-N665 PolarHBondContact O-N 3.13Å; D663-N665 VanDerWaalsContact OD2-CB 3.27Å; D663-N665 WeakPolarHBondContact OD2-CB 3.25Å; D663-N665 PolarHBondContact OD2-N 3Å; D663-N665 PolarHBondContact OD2-ND2 3.33Å; N665-L667 VanDerWaalsContact C-N 3.35Å; N665-H668 PolarHBondContact O-N 3.37Å; N665-E669 WeakPolarHBondContact O-CG 3.26Å; N665-E669 PolarHBondContact O-N 3.17Å
666	A	71.1	Confident	72.5	Confident	33 Å²	33	83.8 Å²	83.8	27%	0.273	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-38.3	176.3	0	0	0	0	0	111.7	I662 D663 H668 E669 I670	I662-A666 HydrophobicContact CG2-CB 3.89Å; D663-A666 HydrophobicContact CB-CB 4.22Å; D663-A666 PolarHBondContact O-N 3.48Å; D663-A666 VanDerWaalsContact O-N 3.14Å; A666-H668 VanDerWaalsContact C-N 3.35Å; A666-E669 PolarHBondContact O-N 3.46Å; A666-I670 WeakPolarHBondContact O-CD1 3.44Å; A666-I670 WeakPolarHBondContact O-CG1 3.27Å; A666-I670 PolarHBondContact O-N 2.9Å
667	L	73.1	Confident	71.5	Confident	12 Å²	12	80.9 Å²	80.9	6%	0.063	42%	0.421	C	S	.	.	H	α-helix	trans	-65.2	-40.5	174.3	-178.3	62	0	0	0	111.4	V651 Q652 L655 I662 D663 E664 N665 I670 L671	V651-L667 HydrophobicContact CB-CD1 4.2Å; V651-L667 HydrophobicContact CG1-CD1 3.64Å; Q652-L667 HydrophobicContact CB-CD2 3.93Å; L655-L667 HydrophobicContact CD1-CD1 4.16Å; I662-L667 HydrophobicContact CG2-CB 4.32Å; D663-L667 PolarHBondContact O-N 3.43Å; E664-L667 PolarHBondContact O-N 3.44Å; N665-L667 VanDerWaalsContact C-N 3.35Å; L667-I670 PolarHBondContact O-N 3.35Å; L667-L671 HydrophobicContact CD1-CD1 4.02Å; L667-L671 HydrophobicContact CD1-CG 4.45Å; L667-L671 HydrophobicContact CG-CD1 4.03Å; L667-L671 WeakPolarHBondContact O-CB 3.27Å; L667-L671 WeakPolarHBondContact O-CG 3.22Å; L667-L671 PolarHBondContact O-N 3.07Å
668	H	71.2	Confident	70.7	Confident	105 Å²	105	80.6 Å²	80.6	49%	0.486	41%	0.409	S	S	.	.	H	α-helix	trans	-67	-36.8	176.1	-165.6	66.6	0	0	0	112.3	E664 N665 A666 N672	E664-H668 WeakPolarHBondContact O-CB 3.4Å; E664-H668 PolarHBondContact O-N 3.28Å; N665-H668 PolarHBondContact O-N 3.37Å; A666-H668 VanDerWaalsContact C-N 3.35Å; H668-N672 PolarHBondContact CD2-ND2 2.83Å; H668-N672 VanDerWaalsContact CD2-ND2 3.28Å; H668-N672 PolarHBondContact NE2-ND2 3.41Å; H668-N672 VanDerWaalsContact NE2-ND2 3.19Å; H668-N672 WeakPolarHBondContact O-CB 3.28Å; H668-N672 PolarHBondContact O-N 2.88Å; H668-N672 PolarHBondContact O-ND2 3.48Å
669	E	72.3	Confident	70	Confident	132 Å²	132	78.5 Å²	78.5	62%	0.617	40%	0.399	S	S	*	.	H	α-helix	trans	-65	-48.2	172.8	-77.1	-179.2	177.6	0	0	111.7	N665 A666 L671 N672 E673	N665-E669 WeakPolarHBondContact O-CG 3.26Å; N665-E669 PolarHBondContact O-N 3.17Å; A666-E669 PolarHBondContact O-N 3.46Å; E669-L671 VanDerWaalsContact C-N 3.34Å; E669-L671 PolarHBondContact O-N 2.75Å; E669-N672 WeakPolarHBondContact O-CB 3.4Å; E669-N672 PolarHBondContact O-N 2.88Å; E669-E673 WeakPolarHBondContact O-CG 3.29Å; E669-E673 PolarHBondContact O-N 2.91Å
670	I	69.9	Low	69.6	Low	80 Å²	80	74.2 Å²	74.2	41%	0.41	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-47.1	177.6	-69.2	164.2	0	0	0	110.4	A666 L667 N672 E673 V674	A666-I670 WeakPolarHBondContact O-CD1 3.44Å; A666-I670 WeakPolarHBondContact O-CG1 3.27Å; A666-I670 PolarHBondContact O-N 2.9Å; L667-I670 PolarHBondContact O-N 3.35Å; I670-N672 VanDerWaalsContact C-N 3.33Å; I670-N672 PolarHBondContact O-N 3.09Å; I670-E673 PolarHBondContact O-N 2.9Å; I670-E673 VanDerWaalsContact O-N 3.11Å; I670-V674 HydrophobicContact CG2-CG2 4.38Å; I670-V674 WeakPolarHBondContact O-CG2 3.21Å; I670-V674 PolarHBondContact O-N 3.35Å; I670-V674 VanDerWaalsContact O-N 3.08Å
671	L	72.3	Confident	69.8	Low	17 Å²	17	74.2 Å²	74.2	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-68.5	-35.3	179.7	-77.7	167.4	0	0	0	112.1	T648 V651 L667 E669 E673 V674 D675 V682	T648-L671 VanDerWaalsContact CA-CD1 3.43Å; T648-L671 HydrophobicContact CG2-CD1 3.41Å; T648-L671 VanDerWaalsContact CG2-CD1 3.41Å; V651-L671 HydrophobicContact CB-CD1 4.45Å; V651-L671 HydrophobicContact CG2-CD1 4.31Å; V651-L671 HydrophobicContact CG2-CD2 4.02Å; L667-L671 HydrophobicContact CD1-CD1 4.02Å; L667-L671 HydrophobicContact CD1-CG 4.45Å; L667-L671 HydrophobicContact CG-CD1 4.03Å; L667-L671 WeakPolarHBondContact O-CB 3.27Å; L667-L671 WeakPolarHBondContact O-CG 3.22Å; L667-L671 PolarHBondContact O-N 3.07Å; E669-L671 VanDerWaalsContact C-N 3.34Å; E669-L671 PolarHBondContact O-N 2.75Å; L671-E673 VanDerWaalsContact C-N 3.28Å; L671-E673 PolarHBondContact O-N 3.39Å; L671-V674 PolarHBondContact O-N 2.57Å; L671-D675 WeakPolarHBondContact O-CB 3.49Å; L671-D675 PolarHBondContact O-N 2.99Å; L671-V682 HydrophobicContact CD2-CG2 3.57Å
672	N	68.8	Low	70.2	Confident	50 Å²	50	66.9 Å²	66.9	27%	0.267	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-38.1	169.4	-95.2	-52.7	0	0	0	112	H668 E669 I670 V674 K678	H668-N672 PolarHBondContact CD2-ND2 2.83Å; H668-N672 VanDerWaalsContact CD2-ND2 3.28Å; H668-N672 PolarHBondContact NE2-ND2 3.41Å; H668-N672 VanDerWaalsContact NE2-ND2 3.19Å; H668-N672 WeakPolarHBondContact O-CB 3.28Å; H668-N672 PolarHBondContact O-N 2.88Å; H668-N672 PolarHBondContact O-ND2 3.48Å; E669-N672 WeakPolarHBondContact O-CB 3.4Å; E669-N672 PolarHBondContact O-N 2.88Å; I670-N672 VanDerWaalsContact C-N 3.33Å; I670-N672 PolarHBondContact O-N 3.09Å; N672-V674 VanDerWaalsContact C-N 3.32Å; N672-K678 VanDerWaalsContact C-NZ 3.34Å; N672-K678 WeakPolarHBondContact O-CE 3.45Å; N672-K678 PolarHBondContact O-NZ 3.18Å; N672-K678 PolarHBondContact OD1-NZ 2.94Å
673	E	68.6	Low	70.4	Confident	148 Å²	148	65.6 Å²	65.6	69%	0.692	34%	0.342	S	S	*	.	H	α-helix	trans	-69.8	-31.7	177.7	-72.3	-172.8	172	0	0	112.9	E669 I670 L671	E669-E673 WeakPolarHBondContact O-CG 3.29Å; E669-E673 PolarHBondContact O-N 2.91Å; I670-E673 PolarHBondContact O-N 2.9Å; I670-E673 VanDerWaalsContact O-N 3.11Å; L671-E673 VanDerWaalsContact C-N 3.28Å; L671-E673 PolarHBondContact O-N 3.39Å
674	V	72.5	Confident	70.3	Confident	22 Å²	22	63.2 Å²	63.2	13%	0.133	33%	0.328	C	S	.	.	H	α-helix	trans	-83.3	-37.5	-177.9	174.7	0	0	0	0	112	I670 L671 N672 L676 V682 V690	I670-V674 HydrophobicContact CG2-CG2 4.38Å; I670-V674 WeakPolarHBondContact O-CG2 3.21Å; I670-V674 PolarHBondContact O-N 3.35Å; I670-V674 VanDerWaalsContact O-N 3.08Å; L671-V674 PolarHBondContact O-N 2.57Å; N672-V674 VanDerWaalsContact C-N 3.32Å; V674-L676 PolarHBondContact O-N 3.34Å; V674-V682 HydrophobicContact CB-CG2 4.24Å; V674-V682 HydrophobicContact CG1-CB 4.26Å; V674-V682 HydrophobicContact CG1-CG1 3.53Å; V674-V682 HydrophobicContact CG1-CG2 3.66Å; V674-V690 HydrophobicContact CB-CG2 4.11Å; V674-V690 HydrophobicContact CG1-CB 4.47Å; V674-V690 HydrophobicContact CG1-CG2 3.73Å; V674-V690 HydrophobicContact CG2-CG1 4.3Å; V674-V690 HydrophobicContact CG2-CG2 3.96Å
675	D	72.2	Confident	70	Confident	6 Å²	6	61 Å²	61	3%	0.032	32%	0.32	C	S	.	.			trans	-77	96.8	177.6	177.6	4.4	0	0	0	109.7	L671 N677 K678 N679 G680 V682	L671-D675 WeakPolarHBondContact O-CB 3.49Å; L671-D675 PolarHBondContact O-N 2.99Å; D675-N677 PolarHBondContact OD1-N 3.06Å; D675-N677 PolarHBondContact OD1-OD1 3.45Å; D675-K678 VanDerWaalsContact CG-CA 3.43Å; D675-K678 WeakPolarHBondContact O-CD 3.43Å; D675-K678 VanDerWaalsContact OD1-CA 3.23Å; D675-K678 WeakPolarHBondContact OD1-CA 3.45Å; D675-K678 PolarHBondContact OD1-N 3.18Å; D675-K678 WeakPolarHBondContact OD2-CA 3.22Å; D675-N679 PolarHBondContact OD1-N 3.21Å; D675-N679 PolarHBondContact OD2-N 3.38Å; D675-G680 WeakPolarHBondContact OD2-CA 3.24Å; D675-G680 PolarHBondContact OD2-N 2.95Å; D675-V682 HydrophobicContact CB-CG2 4.4Å
676	L	58.9	Low	70.1	Confident	79 Å²	79	55.9 Å²	55.9	41%	0.414	29%	0.292	S	S	.	.	S	Bend	trans	-81.9	-27.6	-172.9	-66.9	169.2	0	0	0	111.7	V674 K678 E686 R689	V674-L676 PolarHBondContact O-N 3.34Å; L676-K678 VanDerWaalsContact C-N 3.35Å; L676-E686 HydrophobicContact CB-CG 4.45Å; L676-E686 HydrophobicContact CD1-CG 4.48Å; L676-E686 PolarHBondContact N-OE1 3.33Å; L676-R689 VanDerWaalsContact CD1-NH1 3.28Å
677	N	57.9	Low	70.4	Confident	39 Å²	39	55.4 Å²	55.4	21%	0.209	28%	0.284	C	S	.	.	S	Bend	trans	-88.8	-7.7	176.2	73.1	31.5	0	0	0	112.4	D675 N679 E683 E686	D675-N677 PolarHBondContact OD1-N 3.06Å; D675-N677 PolarHBondContact OD1-OD1 3.45Å; N677-N679 VanDerWaalsContact C-N 3.26Å; N677-N679 PolarHBondContact ND2-ND2 2.88Å; N677-N679 PolarHBondContact O-N 2.95Å; N677-N679 WeakPolarHBondContact OD1-CB 3.31Å; N677-N679 PolarHBondContact OD1-N 2.6Å; N677-N679 PolarHBondContact OD1-ND2 2.62Å; N677-N679 VanDerWaalsContact OD1-ND2 3.16Å; N677-N679 PolarHBondContact OD1-OD1 2.6Å; N677-N679 VanDerWaalsContact OD1-OD1 3.05Å; N677-E683 PolarHBondContact ND2-OE1 3.39Å; N677-E686 PolarHBondContact N-OE1 3.18Å; N677-E686 PolarHBondContact ND2-OE1 3.21Å
678	K	60.7	Low	70.3	Confident	79 Å²	79	55.6 Å²	55.6	34%	0.343	29%	0.285	S	S	.	.			trans	57.7	32.7	176.9	-60.1	-73	-172.5	171.5	0	113.3	R393 N672 D675 L676 G680	R393-K678 VanDerWaalsContact NH1-CB 3.31Å; R393-K678 PolarHBondContact NH1-O 3.33Å; N672-K678 VanDerWaalsContact C-NZ 3.34Å; N672-K678 WeakPolarHBondContact O-CE 3.45Å; N672-K678 PolarHBondContact O-NZ 3.18Å; N672-K678 PolarHBondContact OD1-NZ 2.94Å; D675-K678 VanDerWaalsContact CG-CA 3.43Å; D675-K678 WeakPolarHBondContact O-CD 3.43Å; D675-K678 VanDerWaalsContact OD1-CA 3.23Å; D675-K678 WeakPolarHBondContact OD1-CA 3.45Å; D675-K678 PolarHBondContact OD1-N 3.18Å; D675-K678 WeakPolarHBondContact OD2-CA 3.22Å; L676-K678 VanDerWaalsContact C-N 3.35Å; K678-G680 VanDerWaalsContact C-N 3.31Å
679	N	63.9	Low	70	Confident	62 Å²	62	53.3 Å²	53.3	33%	0.332	27%	0.273	S	S	.	.	S	Bend	trans	-86.1	1.5	-179.7	73	2.9	0	0	0	113.3	D675 N677 Q681 E683	D675-N679 PolarHBondContact OD1-N 3.21Å; D675-N679 PolarHBondContact OD2-N 3.38Å; N677-N679 VanDerWaalsContact C-N 3.26Å; N677-N679 PolarHBondContact ND2-ND2 2.88Å; N677-N679 PolarHBondContact O-N 2.95Å; N677-N679 WeakPolarHBondContact OD1-CB 3.31Å; N677-N679 PolarHBondContact OD1-N 2.6Å; N677-N679 PolarHBondContact OD1-ND2 2.62Å; N677-N679 VanDerWaalsContact OD1-ND2 3.16Å; N677-N679 PolarHBondContact OD1-OD1 2.6Å; N677-N679 VanDerWaalsContact OD1-OD1 3.05Å; N679-Q681 VanDerWaalsContact C-N 3.31Å; N679-Q681 WeakPolarHBondContact OD1-CA 3.33Å; N679-Q681 WeakPolarHBondContact OD1-CB 3.25Å; N679-Q681 PolarHBondContact OD1-N 3Å; N679-Q681 PolarHBondContact OD1-O 3.39Å; N679-E683 PolarHBondContact ND2-OE1 3.48Å
680	G	67.1	Low	69.8	Low	50 Å²	50	50 Å²	50	52%	0.515	26%	0.261	S	S	.	.	S	Bend	trans	80.4	8.2	-177.3	0	0	0	0	0	114.3	D675 K678	D675-G680 WeakPolarHBondContact OD2-CA 3.24Å; D675-G680 PolarHBondContact OD2-N 2.95Å; K678-G680 VanDerWaalsContact C-N 3.31Å
681	Q	79.4	Confident	69.8	Low	65 Å²	65	47.2 Å²	47.2	30%	0.304	25%	0.247	S	C	.	.	S	Bend	trans	-138.8	133.9	-175.4	-53.2	-179.4	-7.7	0	0	109.9	F645 T647 N679 E683	F645-Q681 HydrophobicContact CB-CB 4.03Å; F645-Q681 HydrophobicContact CD2-CB 3.88Å; F645-Q681 HydrophobicContact CD2-CG 3.84Å; F645-Q681 VanDerWaalsContact CD2-OE1 3.25Å; F645-Q681 VanDerWaalsContact CE2-CD 3.49Å; F645-Q681 HydrophobicContact CE2-CG 4.22Å; F645-Q681 HydrophobicContact CG-CB 4.17Å; F645-Q681 HydrophobicContact CG-CG 4.44Å; F645-Q681 VanDerWaalsContact CG-OE1 3.23Å; T647-Q681 HydrophobicContact CG2-CG 4.45Å; N679-Q681 VanDerWaalsContact C-N 3.31Å; N679-Q681 WeakPolarHBondContact OD1-CA 3.33Å; N679-Q681 WeakPolarHBondContact OD1-CB 3.25Å; N679-Q681 PolarHBondContact OD1-N 3Å; N679-Q681 PolarHBondContact OD1-O 3.39Å; Q681-E683 PolarHBondContact O-N 2.86Å
682	V	79.3	Confident	69.5	Low	4 Å²	4	50 Å²	50	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	106.8	176.2	179.3	0	0	0	0	109.2	F645 I646 L671 V674 D675 E686 F687	F645-V682 CarbonylContact C-O 3.56Å; F645-V682 WeakPolarHBondContact CA-O 3.31Å; I646-V682 HydrophobicContact CB-CB 4.24Å; I646-V682 PolarHBondContact N-O 2.93Å; I646-V682 PolarHBondContact O-N 2.94Å; L671-V682 HydrophobicContact CD2-CG2 3.57Å; V674-V682 HydrophobicContact CB-CG2 4.24Å; V674-V682 HydrophobicContact CG1-CB 4.26Å; V674-V682 HydrophobicContact CG1-CG1 3.53Å; V674-V682 HydrophobicContact CG1-CG2 3.66Å; D675-V682 HydrophobicContact CB-CG2 4.4Å; V682-E686 HydrophobicContact CG1-CB 4.07Å; V682-F687 HydrophobicContact CG1-CB 3.95Å
683	E	80.6	Confident	69.3	Low	47 Å²	47	51.2 Å²	51.2	22%	0.22	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	160.1	175.3	-66.4	178.8	-169.3	0	0	111.2	N677 N679 Q681 N685 E686 F687	N677-E683 PolarHBondContact ND2-OE1 3.39Å; N679-E683 PolarHBondContact ND2-OE1 3.48Å; Q681-E683 PolarHBondContact O-N 2.86Å; E683-N685 PolarHBondContact O-N 3.44Å; E683-N685 VanDerWaalsContact O-N 3.12Å; E683-E686 PolarHBondContact N-OE2 3.43Å; E683-E686 PolarHBondContact O-N 3.5Å; E683-F687 PolarHBondContact O-N 3.3Å
684	F	75.3	Confident	68.9	Low	47 Å²	47	48.4 Å²	48.4	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-54.8	-36.7	-178	-179.5	-122.6	0	0	0	113.4	K632 F635 F687 L688	K632-F684 HydrophobicContact CB-CE2 4.04Å; K632-F684 HydrophobicContact CB-CZ 3.76Å; K632-F684 HydrophobicContact CG-CE2 4.38Å; K632-F684 HydrophobicContact CG-CZ 4.14Å; F635-F684 HydrophobicContact CB-CD2 3.67Å; F635-F684 HydrophobicContact CB-CE2 3.87Å; F635-F684 HydrophobicContact CD1-CB 4.41Å; F635-F684 AromaticContact CD1-CD2 3.9Å; F635-F684 HydrophobicContact CD1-CD2 3.9Å; F635-F684 HydrophobicContact CD2-CB 4.27Å; F635-F684 AromaticContact CD2-CD2 3.72Å; F635-F684 HydrophobicContact CD2-CD2 3.72Å; F635-F684 HydrophobicContact CE1-CB 4.15Å; F635-F684 HydrophobicContact CE1-CD2 4.47Å; F635-F684 VanDerWaalsContact CE2-CA 3.44Å; F635-F684 HydrophobicContact CE2-CB 3.99Å; F635-F684 HydrophobicContact CE2-CD2 4.3Å; F635-F684 HydrophobicContact CG-CB 4.47Å; F635-F684 AromaticContact CG-CD2 3.48Å; F635-F684 HydrophobicContact CG-CD2 3.48Å; F635-F684 VanDerWaalsContact CG-CD2 3.48Å; F635-F684 HydrophobicContact CG-CE2 4.2Å; F635-F684 HydrophobicContact CG-CG 4.4Å; F635-F684 HydrophobicContact CZ-CB 3.91Å; F684-F687 PolarHBondContact O-N 3.15Å; F684-L688 HydrophobicContact CD1-CD1 3.86Å; F684-L688 HydrophobicContact CD1-CG 4.43Å; F684-L688 HydrophobicContact CD2-CG 4.28Å; F684-L688 HydrophobicContact CE1-CD1 3.46Å; F684-L688 VanDerWaalsContact CE1-CD1 3.46Å; F684-L688 HydrophobicContact CE1-CD2 4.48Å; F684-L688 HydrophobicContact CE1-CG 4.06Å; F684-L688 HydrophobicContact CE2-CD1 4.21Å; F684-L688 HydrophobicContact CE2-CD2 4.07Å; F684-L688 HydrophobicContact CE2-CG 3.87Å; F684-L688 HydrophobicContact CG-CD1 4.41Å; F684-L688 HydrophobicContact CZ-CD1 3.66Å; F684-L688 HydrophobicContact CZ-CD2 3.83Å; F684-L688 HydrophobicContact CZ-CG 3.76Å; F684-L688 WeakPolarHBondContact O-CB 3.31Å; F684-L688 VanDerWaalsContact O-CG 3.28Å; F684-L688 WeakPolarHBondContact O-CG 3.42Å; F684-L688 PolarHBondContact O-N 3.16Å
685	N	64.5	Low	68.1	Low	92 Å²	92	51.2 Å²	51.2	49%	0.492	27%	0.272	S	S	.	.	H	α-helix	trans	-69.3	-32.9	179.5	-64.1	-27.3	0	0	0	112.7	E683 R689	E683-N685 PolarHBondContact O-N 3.44Å; E683-N685 VanDerWaalsContact O-N 3.12Å; N685-R689 PolarHBondContact O-N 3.48Å
686	E	71.9	Confident	67.3	Low	4 Å²	4	53.9 Å²	53.9	2%	0.019	29%	0.291	C	S	.	.	H	α-helix	trans	-75.1	-41.5	176.5	-62.9	174.9	135.7	0	0	110.5	L676 N677 V682 E683 L688 R689 V690	L676-E686 HydrophobicContact CB-CG 4.45Å; L676-E686 HydrophobicContact CD1-CG 4.48Å; L676-E686 PolarHBondContact N-OE1 3.33Å; N677-E686 PolarHBondContact N-OE1 3.18Å; N677-E686 PolarHBondContact ND2-OE1 3.21Å; V682-E686 HydrophobicContact CG1-CB 4.07Å; E683-E686 PolarHBondContact N-OE2 3.43Å; E683-E686 PolarHBondContact O-N 3.5Å; E686-L688 PolarHBondContact O-N 2.93Å; E686-R689 WeakPolarHBondContact O-CB 3.31Å; E686-R689 PolarHBondContact O-N 2.85Å; E686-R689 VanDerWaalsContact O-N 3.16Å; E686-V690 PolarHBondContact O-N 3.35Å
687	F	77.4	Confident	66.4	Low	23 Å²	23	53.5 Å²	53.5	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-44.2	173.4	-174.2	-99.4	0	0	0	112.7	R634 F635 F638 I646 V682 E683 F684 R689 V690 L691	R634-F687 HydrophobicContact CB-CE1 4.04Å; R634-F687 HydrophobicContact CB-CZ 4.12Å; F635-F687 HydrophobicContact CB-CD1 3.85Å; F635-F687 HydrophobicContact CB-CE1 3.81Å; F635-F687 HydrophobicContact CD2-CB 3.71Å; F635-F687 AromaticContact CD2-CD1 3.7Å; F635-F687 HydrophobicContact CD2-CD1 3.7Å; F635-F687 HydrophobicContact CD2-CD2 4.22Å; F635-F687 HydrophobicContact CD2-CE1 4.31Å; F635-F687 AromaticContact CD2-CG 3.63Å; F635-F687 HydrophobicContact CD2-CG 3.63Å; F635-F687 HydrophobicContact CE2-CB 4.05Å; F635-F687 HydrophobicContact CE2-CG 4.37Å; F635-F687 HydrophobicContact CG-CD1 4.28Å; F638-F687 HydrophobicContact CD2-CE2 4.07Å; F638-F687 HydrophobicContact CD2-CZ 4.09Å; F638-F687 HydrophobicContact CE2-CE2 4.21Å; F638-F687 HydrophobicContact CE2-CZ 4.18Å; I646-F687 HydrophobicContact CD1-CD2 3.66Å; I646-F687 HydrophobicContact CD1-CE2 3.89Å; I646-F687 HydrophobicContact CD1-CG 4.26Å; V682-F687 HydrophobicContact CG1-CB 3.95Å; E683-F687 PolarHBondContact O-N 3.3Å; F684-F687 PolarHBondContact O-N 3.15Å; F687-R689 PolarHBondContact O-N 2.83Å; F687-V690 PolarHBondContact O-N 2.85Å; F687-L691 HydrophobicContact CD1-CD1 3.86Å; F687-L691 HydrophobicContact CE1-CD1 3.25Å; F687-L691 HydrophobicContact CE1-CG 4.22Å; F687-L691 HydrophobicContact CE2-CD1 4.43Å; F687-L691 HydrophobicContact CZ-CD1 3.6Å; F687-L691 HydrophobicContact CZ-CG 4.36Å; F687-L691 PolarHBondContact O-N 3.25Å
688	L	71.1	Confident	65.6	Low	17 Å²	17	54.4 Å²	54.4	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-40.4	174.9	-81.9	172.6	0	0	0	111.8	L623 Y631 F684 E686 Y692	L623-L688 HydrophobicContact CD1-CD2 4.08Å; Y631-L688 HydrophobicContact CD2-CD2 3.6Å; Y631-L688 HydrophobicContact CG-CD2 3.91Å; F684-L688 HydrophobicContact CD1-CD1 3.86Å; F684-L688 HydrophobicContact CD1-CG 4.43Å; F684-L688 HydrophobicContact CD2-CG 4.28Å; F684-L688 HydrophobicContact CE1-CD1 3.46Å; F684-L688 VanDerWaalsContact CE1-CD1 3.46Å; F684-L688 HydrophobicContact CE1-CD2 4.48Å; F684-L688 HydrophobicContact CE1-CG 4.06Å; F684-L688 HydrophobicContact CE2-CD1 4.21Å; F684-L688 HydrophobicContact CE2-CD2 4.07Å; F684-L688 HydrophobicContact CE2-CG 3.87Å; F684-L688 HydrophobicContact CG-CD1 4.41Å; F684-L688 HydrophobicContact CZ-CD1 3.66Å; F684-L688 HydrophobicContact CZ-CD2 3.83Å; F684-L688 HydrophobicContact CZ-CG 3.76Å; F684-L688 WeakPolarHBondContact O-CB 3.31Å; F684-L688 VanDerWaalsContact O-CG 3.28Å; F684-L688 WeakPolarHBondContact O-CG 3.42Å; F684-L688 PolarHBondContact O-N 3.16Å; E686-L688 PolarHBondContact O-N 2.93Å; L688-Y692 VanDerWaalsContact O-CB 3.26Å; L688-Y692 WeakPolarHBondContact O-CB 3.38Å; L688-Y692 PolarHBondContact O-N 3.47Å
689	R	64.7	Low	64.2	Low	57 Å²	57	59.3 Å²	59.3	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-66.6	-44.4	-177.7	-173.6	166.3	166.9	178.2	5	111.8	S618 I621 L676 N685 E686 F687 Y692 H693	S618-R689 PolarHBondContact O-NH1 3.03Å; I621-R689 HydrophobicContact CD1-CB 3.89Å; I621-R689 HydrophobicContact CD1-CG 4.09Å; L676-R689 VanDerWaalsContact CD1-NH1 3.28Å; N685-R689 PolarHBondContact O-N 3.48Å; E686-R689 WeakPolarHBondContact O-CB 3.31Å; E686-R689 PolarHBondContact O-N 2.85Å; E686-R689 VanDerWaalsContact O-N 3.16Å; F687-R689 PolarHBondContact O-N 2.83Å; R689-Y692 PolarHBondContact O-N 3.48Å; R689-H693 PolarHBondContact O-N 3.4Å; R689-H693 VanDerWaalsContact O-N 3.07Å; R689-H693 PolarHBondContact O-ND1 3.5Å
690	V	69.4	Low	62.9	Low	62 Å²	62	61.3 Å²	61.3	38%	0.376	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-43	179.9	171.9	0	0	0	0	111.6	V674 E686 F687 H693 S694	V674-V690 HydrophobicContact CB-CG2 4.11Å; V674-V690 HydrophobicContact CG1-CB 4.47Å; V674-V690 HydrophobicContact CG1-CG2 3.73Å; V674-V690 HydrophobicContact CG2-CG1 4.3Å; V674-V690 HydrophobicContact CG2-CG2 3.96Å; E686-V690 PolarHBondContact O-N 3.35Å; F687-V690 PolarHBondContact O-N 2.85Å; V690-H693 PolarHBondContact O-N 2.94Å; V690-S694 WeakPolarHBondContact O-CB 3.36Å; V690-S694 PolarHBondContact O-N 3.01Å
691	L	70.2	Confident	61.7	Low	22 Å²	22	68.3 Å²	68.3	12%	0.115	37%	0.372	C	S	.	.	H	α-helix	trans	-67.8	-38.1	177.3	-69.6	-175.7	0	0	0	112.7	Y631 R634 F687 S694 D695	Y631-L691 HydrophobicContact CD1-CB 3.87Å; Y631-L691 HydrophobicContact CD1-CD1 3.57Å; Y631-L691 HydrophobicContact CD1-CG 4.38Å; Y631-L691 HydrophobicContact CE1-CB 3.75Å; Y631-L691 HydrophobicContact CE1-CD1 4.16Å; Y631-L691 HydrophobicContact CG-CB 4.42Å; Y631-L691 HydrophobicContact CG-CD1 4.21Å; R634-L691 HydrophobicContact CB-CD1 4.45Å; F687-L691 HydrophobicContact CD1-CD1 3.86Å; F687-L691 HydrophobicContact CE1-CD1 3.25Å; F687-L691 HydrophobicContact CE1-CG 4.22Å; F687-L691 HydrophobicContact CE2-CD1 4.43Å; F687-L691 HydrophobicContact CZ-CD1 3.6Å; F687-L691 HydrophobicContact CZ-CG 4.36Å; F687-L691 PolarHBondContact O-N 3.25Å; L691-S694 PolarHBondContact O-N 3.15Å; L691-D695 WeakPolarHBondContact O-CB 3.36Å; L691-D695 PolarHBondContact O-N 2.48Å
692	Y	65.8	Low	59.2	Low	74 Å²	74	76.6 Å²	76.6	29%	0.29	40%	0.401	S	S	.	.	H	α-helix	trans	-60.9	-45.8	174.7	177.3	-103.7	0	0	0	112.1	I621 L623 L688 R689 S694 D695 S696	I621-Y692 HydrophobicContact CG2-CD1 3.61Å; I621-Y692 HydrophobicContact CG2-CD2 3.77Å; I621-Y692 HydrophobicContact CG2-CE1 3.83Å; I621-Y692 HydrophobicContact CG2-CE2 3.95Å; I621-Y692 HydrophobicContact CG2-CG 3.55Å; L623-Y692 HydrophobicContact CD2-CD2 3.4Å; L623-Y692 VanDerWaalsContact CD2-CD2 3.4Å; L623-Y692 HydrophobicContact CD2-CE2 3.95Å; L623-Y692 HydrophobicContact CD2-CG 4.28Å; L623-Y692 HydrophobicContact CG-CD2 4.3Å; L688-Y692 VanDerWaalsContact O-CB 3.26Å; L688-Y692 WeakPolarHBondContact O-CB 3.38Å; L688-Y692 PolarHBondContact O-N 3.47Å; R689-Y692 PolarHBondContact O-N 3.48Å; Y692-S694 VanDerWaalsContact C-N 3.35Å; Y692-D695 PolarHBondContact O-N 3.29Å; Y692-S696 VanDerWaalsContact O-CB 3.28Å; Y692-S696 WeakPolarHBondContact O-CB 3.33Å; Y692-S696 PolarHBondContact O-N 3.33Å; Y692-S696 PolarHBondContact O-OG 3.29Å
693	H	63.1	Low	57	Low	76 Å²	76	84.2 Å²	84.2	35%	0.352	44%	0.441	S	S	.	.	H	α-helix	trans	-67.8	-35.6	178.9	-72.2	76.1	0	0	0	112.1	R689 V690 S696 G697 S698	R689-H693 PolarHBondContact O-N 3.4Å; R689-H693 VanDerWaalsContact O-N 3.07Å; R689-H693 PolarHBondContact O-ND1 3.5Å; V690-H693 PolarHBondContact O-N 2.94Å; H693-S696 WeakPolarHBondContact CA-OG 3.42Å; H693-G697 PolarHBondContact O-N 3.43Å; H693-S698 PolarHBondContact O-N 3.17Å
694	S	60.1	Low	54.4	Low	89 Å²	89	90.5 Å²	90.5	62%	0.622	47%	0.468	S	S	*	.	H	α-helix	trans	-66.4	-38	175.1	-173.7	0	0	0	0	113	V690 L691 Y692	V690-S694 WeakPolarHBondContact O-CB 3.36Å; V690-S694 PolarHBondContact O-N 3.01Å; L691-S694 PolarHBondContact O-N 3.15Å; Y692-S694 VanDerWaalsContact C-N 3.35Å
695	D	56.6	Low	52.5	Low	82 Å²	82	96.3 Å²	96.3	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-83.2	-25.5	179.6	-79.2	-16.5	0	0	0	112.4	Y631 L691 Y692	Y631-D695 WeakPolarHBondContact CE1-OD2 3.33Å; Y631-D695 PolarHBondContact OH-OD2 3.28Å; L691-D695 WeakPolarHBondContact O-CB 3.36Å; L691-D695 PolarHBondContact O-N 2.48Å; Y692-D695 PolarHBondContact O-N 3.29Å
696	S	54.6	Low	50.6	Low	61 Å²	61	99 Å²	99	43%	0.427	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	0.5	178.9	57.1	0	0	0	0	114.8	Y692 H693 S698	Y692-S696 VanDerWaalsContact O-CB 3.28Å; Y692-S696 WeakPolarHBondContact O-CB 3.33Å; Y692-S696 PolarHBondContact O-N 3.33Å; Y692-S696 PolarHBondContact O-OG 3.29Å; H693-S696 WeakPolarHBondContact CA-OG 3.42Å; S696-S698 PolarHBondContact O-N 3.16Å
697	G	40.5	Very low	48.7	Very low	71 Å²	71	105.3 Å²	105.3	73%	0.732	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	18.9	170.2	0	0	0	0	0	115.8	H693	H693-G697 PolarHBondContact O-N 3.43Å
698	S	40.5	Very low	46.1	Very low	58 Å²	58	110 Å²	110	41%	0.406	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-93.4	128	177.6	38.9	0	0	0	0	111	H693 S696	H693-S698 PolarHBondContact O-N 3.17Å; S696-S698 PolarHBondContact O-N 3.16Å
699	Q	31.7	Very low	44	Very low	182 Å²	182	118.4 Å²	118.4	85%	0.85	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-62	143.2	-173.3	-79.4	-168.8	-8.6	0	0	113.1
700	P	36.5	Very low	42.2	Very low	105 Å²	105	124.1 Å²	124.1	68%	0.682	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-75.3	143	171.2	29.2	-27.3	0	0	0	111.1	R702	P700-R702 PolarHBondContact O-N 3.42Å
701	F	43.6	Very low	40	Very low	196 Å²	196	124.5 Å²	124.5	86%	0.86	66%	0.664	S	S	*	*			trans	-20.5	108.6	-177.6	-76.9	-97.9	0	0	0	117
702	R	26.3	Very low	38.2	Very low	239 Å²	239	129.9 Å²	129.9	90%	0.902	70%	0.702	S	S	*	*			trans	-123.9	117.6	152.2	-102.6	-176.1	174.7	-177.3	-0.1	110.2	P700	P700-R702 PolarHBondContact O-N 3.42Å
703	N	32.5	Very low	36.3	Very low	164 Å²	164	131.4 Å²	131.4	88%	0.877	72%	0.724	S	S	*	*			trans	-6.6	116	169.3	-74.4	-26.3	0	0	0	117.8
704	K	25.4	Very low	35.1	Very low	180 Å²	180	132.4 Å²	132.4	78%	0.783	74%	0.739	S	S	*	*				-168.1	119.3	129.9	-108.3	170.6	-174.9	178.3	0	111	Q706	K704-Q706 PolarHBondContact O-N 3.44Å; K704-Q706 VanDerWaalsContact O-N 3.15Å
705	I	36.9	Very low	33.8	Very low	168 Å²	168	135.6 Å²	135.6	86%	0.862	75%	0.75	S	S	*	*			trans	-60.8	108.3	153.1	-63.2	169.2	0	0	0	106.2
706	Q	23.1	Very low	32.4	Very low	150 Å²	150	136.6 Å²	136.6	70%	0.701	77%	0.769	S	S	*	*			trans	-134.8	110.5	156.8	-91.4	-170.6	-15.2	0	0	109.7	K704 V708	K704-Q706 PolarHBondContact O-N 3.44Å; K704-Q706 VanDerWaalsContact O-N 3.15Å; Q706-V708 PolarHBondContact O-N 3.36Å
707	T	33	Very low	31.4	Very low	135 Å²	135	140 Å²	140	83%	0.828	79%	0.792	S	S	*	*			trans	-49.9	118.2	158.9	-23.6	0	0	0	0	108.9
708	V	23	Very low	30.9	Very low	122 Å²	122	147.6 Å²	147.6	74%	0.739	80%	0.798	S	S	*	*			trans	-115	107.2	165.3	-179.1	0	0	0	0	108.3	Q706	Q706-V708 PolarHBondContact O-N 3.36Å
709	K	26.5	Very low	30.2	Very low	194 Å²	194	156.9 Å²	156.9	84%	0.843	83%	0.825	S	S	*	*			trans	-65	129.8	162.4	-82.1	177.5	171.9	177.4	0	108.1	G711	K709-G711 PolarHBondContact O-N 3.47Å; K709-G711 VanDerWaalsContact O-N 3.16Å
710	L	26.7	Very low	30	Very low	176 Å²	176	159.9 Å²	159.9	92%	0.921	83%	0.828	S	S	*	*			trans	-72.4	105.5	166.1	-75.6	163.5	0	0	0	108.8
711	G	23.8	Very low	29.5	Very low	70 Å²	70	166.2 Å²	166.2	72%	0.722	84%	0.838	S	S	*	*			trans	-77.9	133.3	162.8	0	0	0	0	0	109.7	K709	K709-G711 PolarHBondContact O-N 3.47Å; K709-G711 VanDerWaalsContact O-N 3.16Å
712	C	31.3	Very low	28.6	Very low	135 Å²	135	165.9 Å²	165.9	91%	0.912	84%	0.839	S	S	*	*			trans	-74.4	129.1	173.9	-162.8	0	0	0	0	109.8
713	S	26.1	Very low	28.6	Very low	107 Å²	107	161.7 Å²	161.7	75%	0.748	83%	0.833	S	S	*	*			trans	-147.1	126	152.5	66.2	0	0	0	0	111
714	S	39.6	Very low	28.3	Very low	96 Å²	96	163.8 Å²	163.8	67%	0.671	84%	0.835	S	S	*	*			trans	-15.3	118.2	161.7	50.2	0	0	0	0	117.3
715	D	32	Very low	28.3	Very low	157 Å²	157	163 Å²	163	84%	0.84	84%	0.837	S	S	*	*				163.5	77.2	120.7	-82.8	-19.1	0	0	0	110.9
716	A	27.2	Very low	27.8	Very low	103 Å²	103	162.2 Å²	162.2	85%	0.851	84%	0.835	S	S	*	*			trans	-160.6	52.1	159.9	0	0	0	0	0	110.4
717	C	33.3	Very low	28.3	Very low	132 Å²	132	160.5 Å²	160.5	89%	0.892	84%	0.837	S	S	*	*			trans	-96.9	83.1	169.8	-149.8	0	0	0	0	108.4
718	R	30.2	Very low	28.2	Very low	230 Å²	230	169.6 Å²	169.6	87%	0.868	86%	0.856	S	S	*	*			trans	-168.9	139.7	158.1	-111.8	170.5	-170	-168.4	2.6	108.2
719	W	25.9	Very low	28.5	Very low	254 Å²	254	172 Å²	172	96%	0.962	86%	0.861	S	S	*	*			trans	93.9	52.6	-174.3	-51.4	103	0	0	0	116.3
720	R	27.7	Very low	28.6	Very low	245 Å²	245	170.8 Å²	170.8	93%	0.925	86%	0.862	S	S	*	*			trans	-122.4	104.4	142.6	-85.2	-170.6	-179.2	-152.5	0.8	109.1
721	R	26.3	Very low	28.7	Very low	237 Å²	237	170.5 Å²	170.5	89%	0.894	86%	0.859	S	S	*	*			trans	-172.7	140.7	149.8	-105.8	173.8	-153.4	-156.9	6.2	110
722	Q	24.6	Very low	29	Very low	190 Å²	190	176.4 Å²	176.4	89%	0.888	87%	0.867	S	S	*	*			trans	77.4	113.8	-178.9	-58.7	172	-16.8	0	0	111.6
723	I	25.2	Very low	28.8	Very low	151 Å²	151	179 Å²	179	77%	0.774	86%	0.864	S	S	*	*				-148.7	130.5	51.9	-73.8	158.7	0	0	0	110	I725	I723-I725 HydrophobicContact CG2-CD1 4.27Å; I723-I725 HydrophobicContact CG2-CG1 3.87Å
724	K	26.7	Very low	29	Very low	208 Å²	208	183.8 Å²	183.8	90%	0.904	87%	0.872	S	S	*	*			trans	-86.4	130.4	157.8	-86.4	-179.4	171.1	-177.9	0	107.3
725	I	26.3	Very low	28.3	Very low	162 Å²	162	190.1 Å²	190.1	83%	0.831	89%	0.887	S	S	*	*			trans	-138.8	137.9	149.6	-60.7	-175.4	0	0	0	109	I723	I723-I725 HydrophobicContact CG2-CD1 4.27Å; I723-I725 HydrophobicContact CG2-CG1 3.87Å
726	N	25.2	Very low	28	Very low	153 Å²	153	192.6 Å²	192.6	82%	0.818	89%	0.89	S	S	*	*			trans	-63.3	162.4	-166.1	-102.8	-21.9	0	0	0	117
727	P	33.9	Very low	28.1	Very low	113 Å²	113	200.1 Å²	200.1	73%	0.734	89%	0.893	S	S	*	*			trans	-83.1	139.2	168.1	34.5	-29.2	0	0	0	111.7
728	R	31.4	Very low	27.6	Very low	326 Å²	326	206.3 Å²	206.3	100%	1.23	89%	0.893	S	S	*	*			trans	-134.9	0	148.1	-89.8	-167.2	179.1	-173.1	0.5	108

Retrieved 728 of 728 residues in 1161.2 ms (Link to these results)

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