A0A3Q0KC43_SCHMA Loading...

Deoxyribonuclease II-related

AlphaFold DB , UniProt , Accession A0A3Q0KC43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 395 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	42.6	Very low	47	Very low	240 Å²	240	179.7 Å²	179.7	100%	1.182	84%	0.836	S	S	*	*				0	109.1	0	-100	167.8	86.9	0	0	107.2
2	K	40.7	Very low	47.8	Very low	188 Å²	188	182.4 Å²	182.4	82%	0.817	84%	0.836	S	S	*	*			cis	-140.4	120.8	7.1	-69.9	168.3	172.8	175.7	0	105.3
3	L	38.7	Very low	48.7	Very low	155 Å²	155	175.6 Å²	175.6	81%	0.812	82%	0.822	S	S	*	*				40.1	97.7	95.4	-97.6	152.1	0	0	0	114.5
4	L	46.9	Very low	49.6	Very low	174 Å²	174	170.4 Å²	170.4	91%	0.911	80%	0.803	S	S	*	*			trans	-146.2	83.8	153.2	-84	174.1	0	0	0	109.3
5	T	45.2	Very low	50.5	Low	118 Å²	118	164 Å²	164	72%	0.724	78%	0.783	S	S	*	*			trans	-91.1	111.7	156.4	19	0	0	0	0	107.1
6	F	49.6	Very low	51.7	Low	169 Å²	169	163.2 Å²	163.2	74%	0.741	78%	0.775	S	S	*	*			trans	-146.8	115.7	165.3	-133.4	-107.1	0	0	0	111.8
7	Q	46.1	Very low	52.8	Low	152 Å²	152	159.1 Å²	159.1	71%	0.71	76%	0.763	S	S	*	*			trans	60.8	96.1	149.4	-71.9	177.1	-30.8	0	0	120.3
8	R	49.5	Very low	53.9	Low	249 Å²	249	154.4 Å²	154.4	94%	0.94	75%	0.746	S	S	*	*			trans	-106.9	68.7	155.6	-153.2	-179.9	-165.5	-174	4.2	108.8
9	H	52.6	Low	54.8	Low	177 Å²	177	151.8 Å²	151.8	82%	0.819	74%	0.735	S	S	*	*			trans	-118.4	8.7	178.5	-107	-49.7	0	0	0	114.9
10	W	48.6	Very low	55.7	Low	228 Å²	228	150 Å²	150	86%	0.864	73%	0.726	S	S	*	*			trans	-114.8	101.5	175.8	-82.1	60.2	0	0	0	108.7
11	N	56.4	Low	56.6	Low	127 Å²	127	149.5 Å²	149.5	68%	0.679	72%	0.721	S	S	*	*	S	Bend	trans	-175.4	-9.3	154.2	-97.3	-14.3	0	0	0	115.6
12	Y	57	Low	58	Low	212 Å²	212	144.5 Å²	144.5	83%	0.831	69%	0.693	S	S	*	*	H	α-helix	trans	-76.4	-35.6	-179.5	-79.4	-81.2	0	0	0	114.2	C15 F16	Y12-C15 PolarHBondContact O-N 3.22Å; Y12-F16 PolarHBondContact O-N 3.13Å
13	S	59.1	Low	59.5	Low	94 Å²	94	138.1 Å²	138.1	66%	0.657	67%	0.672	S	S	*	*	H	α-helix	trans	-71.6	-40.6	-175.8	-162.1	0	0	0	0	112.9	C15 F16 V17	S13-C15 VanDerWaalsContact C-N 3.33Å; S13-C15 PolarHBondContact O-N 3.32Å; S13-F16 PolarHBondContact O-N 3.04Å; S13-V17 PolarHBondContact O-N 2.9Å
14	N	60.8	Low	61	Low	103 Å²	103	134.6 Å²	134.6	55%	0.551	66%	0.657	S	S	*	*	H	α-helix	trans	-66.2	-34.2	175.5	-76.2	-18.9	0	0	0	112.6	F16 V17 V18	N14-F16 VanDerWaalsContact C-N 3.34Å; N14-F16 PolarHBondContact O-N 2.88Å; N14-V17 PolarHBondContact O-N 3.26Å; N14-V18 VanDerWaalsContact O-CG2 3.28Å; N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.49Å; N14-V18 VanDerWaalsContact O-N 3.14Å
15	C	63.1	Low	61.9	Low	74 Å²	74	130.4 Å²	130.4	50%	0.5	64%	0.635	S	S	.	*	H	α-helix	trans	-65.4	-38.6	176.7	-128.2	0	0	0	0	111.7	Y12 S13 V18 I19	Y12-C15 PolarHBondContact O-N 3.22Å; S13-C15 VanDerWaalsContact C-N 3.33Å; S13-C15 PolarHBondContact O-N 3.32Å; C15-V18 PolarHBondContact O-N 3.28Å; C15-I19 WeakPolarHBondContact O-CD1 3.45Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.46Å; C15-I19 PolarHBondContact O-N 2.97Å
16	F	69.7	Low	62.8	Low	151 Å²	151	131.2 Å²	131.2	66%	0.662	63%	0.628	S	S	*	*	H	α-helix	trans	-65.9	-41.8	179	-128.1	-87.2	0	0	0	112.4	Y12 S13 N14 I19 M20	Y12-F16 PolarHBondContact O-N 3.13Å; S13-F16 PolarHBondContact O-N 3.04Å; N14-F16 VanDerWaalsContact C-N 3.34Å; N14-F16 PolarHBondContact O-N 2.88Å; F16-I19 PolarHBondContact O-N 3.2Å; F16-M20 PolarHBondContact O-N 3.31Å
17	V	71.9	Confident	63.3	Low	94 Å²	94	128.3 Å²	128.3	57%	0.57	62%	0.62	S	S	*	*	H	α-helix	trans	-64.9	-42	177.2	177	0	0	0	0	111.1	S13 N14 M20 F21	S13-V17 PolarHBondContact O-N 2.9Å; N14-V17 PolarHBondContact O-N 3.26Å; V17-M20 PolarHBondContact O-N 3.3Å; V17-F21 WeakPolarHBondContact O-CB 3.46Å; V17-F21 PolarHBondContact O-N 3.3Å
18	V	71.1	Confident	64	Low	75 Å²	75	125 Å²	125	46%	0.455	61%	0.61	S	S	.	*	H	α-helix	trans	-65.2	-43.1	177.4	173.5	0	0	0	0	111.1	N14 C15 F21 F22	N14-V18 VanDerWaalsContact O-CG2 3.28Å; N14-V18 WeakPolarHBondContact O-CG2 3.45Å; N14-V18 PolarHBondContact O-N 3.49Å; N14-V18 VanDerWaalsContact O-N 3.14Å; C15-V18 PolarHBondContact O-N 3.28Å; V18-F21 PolarHBondContact O-N 2.85Å; V18-F22 HydrophobicContact CG1-CD2 3.58Å; V18-F22 HydrophobicContact CG1-CE2 3.57Å; V18-F22 VanDerWaalsContact O-CD2 3.25Å; V18-F22 WeakPolarHBondContact O-CD2 3.27Å; V18-F22 PolarHBondContact O-N 3.24Å
19	I	72	Confident	64.4	Low	105 Å²	105	120.7 Å²	120.7	54%	0.538	60%	0.595	S	S	.	*	H	α-helix	trans	-64.2	-41.6	176.1	-67.9	165.3	0	0	0	111.1	C15 F16 F22 S23	C15-I19 WeakPolarHBondContact O-CD1 3.45Å; C15-I19 VanDerWaalsContact O-CG1 3.25Å; C15-I19 WeakPolarHBondContact O-CG1 3.46Å; C15-I19 PolarHBondContact O-N 2.97Å; F16-I19 PolarHBondContact O-N 3.2Å; I19-F22 PolarHBondContact O-N 3.45Å; I19-S23 WeakPolarHBondContact O-CB 3.39Å; I19-S23 PolarHBondContact O-N 3.24Å; I19-S23 PolarHBondContact O-OG 3.44Å
20	M	72.9	Confident	64.5	Low	114 Å²	114	117.6 Å²	117.6	56%	0.562	58%	0.584	S	S	*	*	H	α-helix	trans	-62.4	-41.6	173.7	-77	-142	81.9	0	0	111.9	F16 V17 S23 V24	F16-M20 PolarHBondContact O-N 3.31Å; V17-M20 PolarHBondContact O-N 3.3Å; M20-S23 VanDerWaalsContact CA-OG 3.26Å; M20-S23 WeakPolarHBondContact CA-OG 3.31Å; M20-S23 PolarHBondContact O-N 3.4Å; M20-S23 PolarHBondContact O-OG 2.88Å; M20-S23 VanDerWaalsContact O-OG 3.08Å; M20-V24 WeakPolarHBondContact O-CB 3.33Å; M20-V24 VanDerWaalsContact O-CG2 3.27Å; M20-V24 WeakPolarHBondContact O-CG2 3.44Å; M20-V24 PolarHBondContact O-N 3.29Å
21	F	73.7	Confident	64.5	Low	140 Å²	140	111 Å²	111	61%	0.614	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-44.4	178.3	-155.3	-97.4	0	0	0	111.9	V17 V18 V24 L25	V17-F21 WeakPolarHBondContact O-CB 3.46Å; V17-F21 PolarHBondContact O-N 3.3Å; V18-F21 PolarHBondContact O-N 2.85Å; F21-V24 PolarHBondContact O-N 2.71Å; F21-L25 HydrophobicContact CD1-CD1 3.59Å; F21-L25 HydrophobicContact CD1-CG 4.23Å; F21-L25 HydrophobicContact CE1-CD1 3.61Å; F21-L25 HydrophobicContact CE1-CG 4.24Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 VanDerWaalsContact O-CG 3.3Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 2.99Å
22	F	72.8	Confident	63.9	Low	136 Å²	136	114.2 Å²	114.2	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-36.4	175.3	-81.8	-70.9	0	0	0	112.7	V18 I19 L25 F26	V18-F22 HydrophobicContact CG1-CD2 3.58Å; V18-F22 HydrophobicContact CG1-CE2 3.57Å; V18-F22 VanDerWaalsContact O-CD2 3.25Å; V18-F22 WeakPolarHBondContact O-CD2 3.27Å; V18-F22 PolarHBondContact O-N 3.24Å; I19-F22 PolarHBondContact O-N 3.45Å; F22-L25 PolarHBondContact O-N 3.38Å; F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 2.97Å
23	S	71.8	Confident	63.5	Low	53 Å²	53	112.5 Å²	112.5	37%	0.371	56%	0.564	S	S	.	*	H	α-helix	trans	-71.4	-34.3	176.1	48.3	0	0	0	0	112.3	I19 M20 F26 L27	I19-S23 WeakPolarHBondContact O-CB 3.39Å; I19-S23 PolarHBondContact O-N 3.24Å; I19-S23 PolarHBondContact O-OG 3.44Å; M20-S23 VanDerWaalsContact CA-OG 3.26Å; M20-S23 WeakPolarHBondContact CA-OG 3.31Å; M20-S23 PolarHBondContact O-N 3.4Å; M20-S23 PolarHBondContact O-OG 2.88Å; M20-S23 VanDerWaalsContact O-OG 3.08Å; S23-F26 PolarHBondContact O-N 3.38Å; S23-L27 VanDerWaalsContact O-CB 3.31Å; S23-L27 WeakPolarHBondContact O-CB 3.39Å; S23-L27 PolarHBondContact O-N 3.12Å
24	V	70	Confident	63.4	Low	82 Å²	82	112.2 Å²	112.2	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-68.3	-40.7	170.2	170.8	0	0	0	0	111.3	M20 F21 F26 L27 T28	M20-V24 WeakPolarHBondContact O-CB 3.33Å; M20-V24 VanDerWaalsContact O-CG2 3.27Å; M20-V24 WeakPolarHBondContact O-CG2 3.44Å; M20-V24 PolarHBondContact O-N 3.29Å; F21-V24 PolarHBondContact O-N 2.71Å; V24-F26 VanDerWaalsContact C-N 3.35Å; V24-L27 PolarHBondContact O-N 2.84Å; V24-T28 WeakPolarHBondContact O-CB 3.27Å; V24-T28 WeakPolarHBondContact O-CG2 3.35Å; V24-T28 PolarHBondContact O-N 3.05Å; V24-T28 PolarHBondContact O-OG1 3.31Å
25	L	66.5	Low	64	Low	85 Å²	85	114.1 Å²	114.1	45%	0.445	57%	0.567	S	S	.	*	H	α-helix	trans	-65.5	-37.5	173.2	-74.9	173.1	0	0	0	112.2	F21 F22 T28 Y29	F21-L25 HydrophobicContact CD1-CD1 3.59Å; F21-L25 HydrophobicContact CD1-CG 4.23Å; F21-L25 HydrophobicContact CE1-CD1 3.61Å; F21-L25 HydrophobicContact CE1-CG 4.24Å; F21-L25 WeakPolarHBondContact O-CB 3.49Å; F21-L25 VanDerWaalsContact O-CG 3.3Å; F21-L25 WeakPolarHBondContact O-CG 3.43Å; F21-L25 PolarHBondContact O-N 2.99Å; F22-L25 PolarHBondContact O-N 3.38Å; L25-T28 VanDerWaalsContact CA-OG1 3.26Å; L25-T28 WeakPolarHBondContact CA-OG1 3.22Å; L25-T28 PolarHBondContact O-OG1 3.49Å; L25-Y29 VanDerWaalsContact O-CB 3.24Å; L25-Y29 WeakPolarHBondContact O-CB 3.25Å; L25-Y29 PolarHBondContact O-N 3.29Å
26	F	64.1	Low	65.3	Low	135 Å²	135	114.1 Å²	114.1	59%	0.592	57%	0.565	S	S	*	*	H	α-helix	trans	-72.3	-37.6	176.4	-158.9	-105.4	0	0	0	111.3	F22 S23 V24 Y29 I30	F22-F26 WeakPolarHBondContact O-CB 3.5Å; F22-F26 PolarHBondContact O-N 2.97Å; S23-F26 PolarHBondContact O-N 3.38Å; V24-F26 VanDerWaalsContact C-N 3.35Å; F26-Y29 PolarHBondContact O-N 3.14Å; F26-I30 HydrophobicContact CD1-CD1 3.54Å; F26-I30 HydrophobicContact CD1-CG1 4.31Å; F26-I30 HydrophobicContact CE1-CD1 3.36Å; F26-I30 HydrophobicContact CE1-CG1 4.28Å; F26-I30 HydrophobicContact CG-CD1 4.48Å; F26-I30 HydrophobicContact CZ-CD1 4.17Å; F26-I30 WeakPolarHBondContact O-CB 3.42Å; F26-I30 VanDerWaalsContact O-CG1 3.29Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 3.03Å
27	L	60.5	Low	66.6	Low	109 Å²	109	107.5 Å²	107.5	57%	0.571	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-44.4	172.1	-130.2	82.7	0	0	0	110.9	S23 V24 Y29 I30 I31	S23-L27 VanDerWaalsContact O-CB 3.31Å; S23-L27 WeakPolarHBondContact O-CB 3.39Å; S23-L27 PolarHBondContact O-N 3.12Å; V24-L27 PolarHBondContact O-N 2.84Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.49Å; L27-I30 PolarHBondContact O-N 2.83Å; L27-I31 HydrophobicContact CD2-CD1 4.25Å; L27-I31 HydrophobicContact CG-CD1 4.26Å; L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.44Å; L27-I31 WeakPolarHBondContact O-CG1 3.28Å; L27-I31 PolarHBondContact O-N 2.69Å
28	T	59.3	Low	67.8	Low	81 Å²	81	103.2 Å²	103.2	50%	0.497	51%	0.511	S	S	.	.	H	α-helix	trans	-68.7	-28.3	176.7	49.3	0	0	0	0	112.6	V24 L25 I31	V24-T28 WeakPolarHBondContact O-CB 3.27Å; V24-T28 WeakPolarHBondContact O-CG2 3.35Å; V24-T28 PolarHBondContact O-N 3.05Å; V24-T28 PolarHBondContact O-OG1 3.31Å; L25-T28 VanDerWaalsContact CA-OG1 3.26Å; L25-T28 WeakPolarHBondContact CA-OG1 3.22Å; L25-T28 PolarHBondContact O-OG1 3.49Å; T28-I31 CarbonylContact O-C 3.41Å
29	Y	58.2	Low	69.1	Low	160 Å²	160	99.7 Å²	99.7	63%	0.627	49%	0.49	S	S	*	.	H	α-helix	trans	-73.7	-37.7	171.7	-169	-96.6	0	0	0	112.8	L25 F26 L27	L25-Y29 VanDerWaalsContact O-CB 3.24Å; L25-Y29 WeakPolarHBondContact O-CB 3.25Å; L25-Y29 PolarHBondContact O-N 3.29Å; F26-Y29 PolarHBondContact O-N 3.14Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 3.49Å
30	I	54.5	Low	70.3	Confident	112 Å²	112	95.7 Å²	95.7	57%	0.574	47%	0.469	S	S	*	.	H	α-helix	trans	-72.5	-31.5	174.6	-70.5	177.1	0	0	0	111.1	F26 L27 R32	F26-I30 HydrophobicContact CD1-CD1 3.54Å; F26-I30 HydrophobicContact CD1-CG1 4.31Å; F26-I30 HydrophobicContact CE1-CD1 3.36Å; F26-I30 HydrophobicContact CE1-CG1 4.28Å; F26-I30 HydrophobicContact CG-CD1 4.48Å; F26-I30 HydrophobicContact CZ-CD1 4.17Å; F26-I30 WeakPolarHBondContact O-CB 3.42Å; F26-I30 VanDerWaalsContact O-CG1 3.29Å; F26-I30 WeakPolarHBondContact O-CG1 3.38Å; F26-I30 PolarHBondContact O-N 3.03Å; L27-I30 PolarHBondContact O-N 2.83Å; I30-R32 PolarHBondContact O-N 3.3Å
31	I	48.5	Very low	71.4	Confident	90 Å²	90	91.1 Å²	91.1	46%	0.462	45%	0.447	S	S	.	.			trans	-83.2	49.9	171.5	-52.8	159.5	0	0	0	109.5	L27 T28 F33	L27-I31 HydrophobicContact CD2-CD1 4.25Å; L27-I31 HydrophobicContact CG-CD1 4.26Å; L27-I31 WeakPolarHBondContact O-CB 3.33Å; L27-I31 WeakPolarHBondContact O-CD1 3.44Å; L27-I31 WeakPolarHBondContact O-CG1 3.28Å; L27-I31 PolarHBondContact O-N 2.69Å; T28-I31 CarbonylContact O-C 3.41Å; I31-F33 HydrophobicContact CG2-CD2 3.29Å; I31-F33 HydrophobicContact CG2-CE2 3.63Å; I31-F33 HydrophobicContact CG2-CG 4.4Å; I31-F33 PolarHBondContact O-N 3.43Å; I31-F33 VanDerWaalsContact O-N 3.11Å
32	R	44.8	Very low	72.4	Confident	194 Å²	194	85.4 Å²	85.4	73%	0.732	42%	0.423	S	S	*	.			trans	-75.8	85.5	144.5	-73.9	-165	-179.3	-165.2	2.1	105.7	I30 S34	I30-R32 PolarHBondContact O-N 3.3Å; R32-S34 PolarHBondContact O-N 3.29Å
33	F	48.1	Very low	73.5	Confident	176 Å²	176	83.3 Å²	83.3	77%	0.772	42%	0.418	S	S	*	.			trans	-55	98.4	162.3	-99.9	-82	0	0	0	106.1	I31 Q35	I31-F33 HydrophobicContact CG2-CD2 3.29Å; I31-F33 HydrophobicContact CG2-CE2 3.63Å; I31-F33 HydrophobicContact CG2-CG 4.4Å; I31-F33 PolarHBondContact O-N 3.43Å; I31-F33 VanDerWaalsContact O-N 3.11Å; F33-Q35 VanDerWaalsContact C-N 3.3Å; F33-Q35 PolarHBondContact O-N 2.89Å
34	S	57.6	Low	74.6	Confident	88 Å²	88	81.9 Å²	81.9	62%	0.615	41%	0.411	S	S	*	.			trans	-60.7	104.9	161.7	-167.7	0	0	0	0	104.6	R32 T36	R32-S34 PolarHBondContact O-N 3.29Å; S34-T36 PolarHBondContact O-N 3.45Å; S34-T36 VanDerWaalsContact O-N 3.14Å
35	Q	73.8	Confident	75.8	Confident	142 Å²	142	83.6 Å²	83.6	66%	0.664	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-61.3	120.1	176.1	-76.1	-176.4	-5.5	0	0	106.8	F33 L37	F33-Q35 VanDerWaalsContact C-N 3.3Å; F33-Q35 PolarHBondContact O-N 2.89Å; Q35-L37 PolarHBondContact O-N 3.25Å
36	T	90.2	Very high	77.2	Confident	74 Å²	74	82 Å²	82	45%	0.454	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-55.1	133.5	175.4	52.4	0	0	0	0	109.4	S34 S38	S34-T36 PolarHBondContact O-N 3.45Å; S34-T36 VanDerWaalsContact O-N 3.14Å; T36-S38 PolarHBondContact O-N 2.92Å
37	L	96.2	Very high	78.8	Confident	12 Å²	12	75.7 Å²	75.7	6%	0.063	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-63	124.7	179.8	-177	68.8	0	0	0	110.4	Q35 L94 A133 D135 T137 T139 G140 F141	Q35-L37 PolarHBondContact O-N 3.25Å; L37-L94 HydrophobicContact CD1-CD1 4Å; L37-L94 HydrophobicContact CD2-CD1 3.49Å; L37-L94 VanDerWaalsContact CD2-CD1 3.49Å; L37-L94 HydrophobicContact CG-CD1 4.4Å; L37-A133 HydrophobicContact CD2-CB 3.87Å; L37-D135 WeakPolarHBondContact CB-OD2 3.19Å; L37-D135 HydrophobicContact CD2-CB 4.32Å; L37-T137 PolarHBondContact N-OG1 3.38Å; L37-T137 VanDerWaalsContact N-OG1 3.16Å; L37-T139 WeakPolarHBondContact O-CB 3.38Å; L37-T139 PolarHBondContact O-OG1 2.91Å; L37-G140 PolarHBondContact O-N 2.91Å; L37-F141 HydrophobicContact CD1-CD1 4.27Å; L37-F141 HydrophobicContact CD1-CE1 3.99Å; L37-F141 HydrophobicContact CG-CD1 4.21Å; L37-F141 HydrophobicContact CG-CE1 4.37Å
38	S	97.5	Very high	80.6	Confident	5 Å²	5	70.7 Å²	70.7	4%	0.035	35%	0.354	C	S	.	.			trans	-153.1	173.2	-177.2	75.1	0	0	0	0	111.7	T36 T46 F141 T174	T36-S38 PolarHBondContact O-N 2.92Å; S38-T46 WeakPolarHBondContact OG-CA 3.24Å; S38-T46 WeakPolarHBondContact OG-CB 3.43Å; S38-T46 WeakPolarHBondContact OG-CG2 3.29Å; S38-F141 WeakPolarHBondContact O-CD1 3.25Å; S38-T174 WeakPolarHBondContact CB-OG1 3.49Å
39	C	98.2	Very high	82.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57	142.3	159	-59	0	0	0	0	109.8	V47 F50 C172 V173 T174	C39-V47 HydrophobicContact CB-CG2 3.95Å; C39-V47 PolarHBondContact O-N 3.41Å; C39-F50 HydrophobicContact CB-CD1 3.81Å; C39-F50 HydrophobicContact CB-CE1 3.76Å; C39-C172 VanDerWaalsContact CA-SG 3.6Å; C39-C172 HydrophobicContact CB-CB 3.92Å; C39-C172 WeakPolarHBondContact CB-SG 3.3Å; C39-C172 WeakPolarHBondContact SG-CB 3.36Å; C39-C172 CovalentContact SG-SG 2.03Å; C39-C172 PolarHBondContact SG-SG 2.74Å; C39-V173 PolarHBondContact SG-N 2.84Å; C39-V173 VanDerWaalsContact SG-N 3.35Å; C39-T174 PolarHBondContact N-OG1 2.97Å; C39-T174 PolarHBondContact SG-N 2.91Å; C39-T174 VanDerWaalsContact SG-N 3.45Å; C39-T174 PolarHBondContact SG-OG1 3.44Å
40	L	97.4	Very high	84.3	Confident	22 Å²	22	59.2 Å²	59.2	12%	0.115	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.5	177.4	-58	-175.9	0	0	0	110.5	H45 T46 F50 M83 N86 T87	L40-H45 CarbonylContact C-O 3.58Å; L40-H45 VanDerWaalsContact CA-O 3.3Å; L40-H45 WeakPolarHBondContact CA-O 3.32Å; L40-T46 HydrophobicContact CD2-CG2 4.12Å; L40-F50 VanDerWaalsContact O-CE1 3.31Å; L40-F50 WeakPolarHBondContact O-CE1 3.34Å; L40-M83 VanDerWaalsContact O-CA 3.25Å; L40-M83 WeakPolarHBondContact O-CA 3.49Å; L40-M83 WeakPolarHBondContact O-CB 3.44Å; L40-N86 HydrophobicContact CB-CB 3.79Å; L40-N86 HydrophobicContact CD1-CB 4.08Å; L40-T87 PolarHBondContact N-OG1 3.16Å; L40-T87 PolarHBondContact O-OG1 3.3Å
41	D	96.3	Very high	86.4	Confident	17 Å²	17	53.9 Å²	53.9	9%	0.091	27%	0.273	C	S	.	.			trans	-78.6	-172.4	175.3	73.9	7.9	0	0	0	112.7	D43 G44 H45 V47 M83 N86	D41-D43 VanDerWaalsContact C-N 3.26Å; D41-D43 PolarHBondContact O-N 2.89Å; D41-D43 WeakPolarHBondContact OD1-CA 3.16Å; D41-D43 PolarHBondContact OD1-N 3.38Å; D41-G44 PolarHBondContact O-N 2.83Å; D41-G44 PolarHBondContact OD1-N 2.76Å; D41-H45 PolarHBondContact N-O 3.46Å; D41-H45 IonicContact OD1-CG 2.68Å; D41-H45 PolarHBondContact OD1-N 3.47Å; D41-H45 IonicContact OD1-ND1 3.64Å; D41-H45 IonicContact OD2-ND1 3.6Å; D41-V47 HydrophobicContact CB-CG1 3.88Å; D41-V47 HydrophobicContact CB-CG2 4.44Å; D41-M83 WeakPolarHBondContact O-CA 3.38Å; D41-N86 PolarHBondContact O-ND2 3.18Å
42	D	95.2	Very high	88.7	Confident	20 Å²	20	49.6 Å²	49.6	11%	0.107	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.4	179.7	-89.5	-0.7	0	0	0	114.5	F63 S74 G82 M83 N86	D42-F63 HydrophobicContact CB-CZ 4.45Å; D42-F63 VanDerWaalsContact OD2-CE1 3.23Å; D42-F63 WeakPolarHBondContact OD2-CE1 3.33Å; D42-S74 VanDerWaalsContact CG-OG 3.29Å; D42-S74 PolarHBondContact OD1-OG 2.87Å; D42-S74 WeakPolarHBondContact OD2-CA 3.25Å; D42-S74 VanDerWaalsContact OD2-CB 3.29Å; D42-S74 WeakPolarHBondContact OD2-CB 3.09Å; D42-S74 PolarHBondContact OD2-OG 2.93Å; D42-G82 WeakPolarHBondContact OD1-CA 3.33Å; D42-M83 WeakPolarHBondContact OD1-CE 3.26Å; D42-M83 PolarHBondContact OD1-N 3.46Å; D42-N86 PolarHBondContact O-ND2 3.42Å
43	D	94.9	Very high	91.3	Very high	93 Å²	93	40.5 Å²	40.5	50%	0.497	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-2.1	-177.8	-65.8	-42.9	0	0	0	111.7	D41 K75	D41-D43 VanDerWaalsContact C-N 3.26Å; D41-D43 PolarHBondContact O-N 2.89Å; D41-D43 WeakPolarHBondContact OD1-CA 3.16Å; D41-D43 PolarHBondContact OD1-N 3.38Å; D43-K75 IonicContact OD1-NZ 2.7Å; D43-K75 PolarHBondContact OD1-NZ 2.55Å; D43-K75 IonicContact OD2-NZ 3.52Å; D43-K75 PolarHBondContact OD2-NZ 3.16Å
44	G	95.3	Very high	93.6	Very high	22 Å²	22	32.1 Å²	32.1	23%	0.227	18%	0.18	C	C	.	.	S	Bend	trans	89.6	12.3	176.8	0	0	0	0	0	114.1	D41 N86	D41-G44 PolarHBondContact O-N 2.83Å; D41-G44 PolarHBondContact OD1-N 2.76Å; G44-N86 PolarHBondContact N-ND2 3.01Å
45	H	95.5	Very high	95.5	Very high	118 Å²	118	28.6 Å²	28.6	55%	0.546	15%	0.154	S	C	.	.			trans	-83.3	149.5	176.4	-51.5	117.8	0	0	0	111.6	L40 D41 V47	L40-H45 CarbonylContact C-O 3.58Å; L40-H45 VanDerWaalsContact CA-O 3.3Å; L40-H45 WeakPolarHBondContact CA-O 3.32Å; D41-H45 PolarHBondContact N-O 3.46Å; D41-H45 IonicContact OD1-CG 2.68Å; D41-H45 PolarHBondContact OD1-N 3.47Å; D41-H45 IonicContact OD1-ND1 3.64Å; D41-H45 IonicContact OD2-ND1 3.6Å; H45-V47 PolarHBondContact O-N 2.66Å
46	T	96	Very high	96.7	Very high	51 Å²	51	23 Å²	23	31%	0.313	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	127	178	60.3	0	0	0	0	111.3	S38 L40	S38-T46 WeakPolarHBondContact OG-CA 3.24Å; S38-T46 WeakPolarHBondContact OG-CB 3.43Å; S38-T46 WeakPolarHBondContact OG-CG2 3.29Å; L40-T46 HydrophobicContact CD2-CG2 4.12Å
47	V	96.8	Very high	97	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	152.7	173.8	-67.2	0	0	0	0	110.9	C39 D41 H45 W49 F50 T174	C39-V47 HydrophobicContact CB-CG2 3.95Å; C39-V47 PolarHBondContact O-N 3.41Å; D41-V47 HydrophobicContact CB-CG1 3.88Å; D41-V47 HydrophobicContact CB-CG2 4.44Å; H45-V47 PolarHBondContact O-N 2.66Å; V47-W49 VanDerWaalsContact C-N 3.29Å; V47-F50 HydrophobicContact CG2-CD1 4.08Å; V47-T174 PolarHBondContact O-OG1 2.87Å
48	D	97.3	Very high	97	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	-73	-27.5	-180	-161.5	42.3	0	0	0	112.1	A66 T174 T232 A233 K234 S236	D48-A66 HydrophobicContact CB-CB 4.32Å; D48-T174 VanDerWaalsContact O-CB 3.3Å; D48-T174 WeakPolarHBondContact O-CB 3.34Å; D48-T174 PolarHBondContact O-N 2.96Å; D48-T174 PolarHBondContact O-OG1 2.92Å; D48-T232 WeakPolarHBondContact OD2-CB 3.3Å; D48-T232 PolarHBondContact OD2-OG1 3.37Å; D48-A233 PolarHBondContact OD1-N 3.45Å; D48-K234 HydrophobicContact CB-CB 4.15Å; D48-K234 HydrophobicContact CB-CD 4.15Å; D48-K234 HydrophobicContact CB-CG 4.16Å; D48-K234 VanDerWaalsContact CG-CB 3.49Å; D48-K234 PolarHBondContact OD1-N 3.35Å; D48-K234 WeakPolarHBondContact OD2-CB 3.44Å; D48-S236 VanDerWaalsContact OD2-CB 3.31Å; D48-S236 WeakPolarHBondContact OD2-CB 3.49Å; D48-S236 PolarHBondContact OD2-N 3Å; D48-S236 PolarHBondContact OD2-OG 3.1Å
49	W	98.1	Very high	97	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	160.6	173.7	57.6	-91.9	0	0	0	110.3	V47 V51 M64 N65 A66 R69 C172 V173 S236 F237 L353	V47-W49 VanDerWaalsContact C-N 3.29Å; W49-V51 HydrophobicContact CZ3-CG1 4.27Å; W49-M64 HydrophobicContact CH2-CB 4.45Å; W49-M64 HydrophobicContact CZ3-CB 4.22Å; W49-N65 WeakPolarHBondContact CH2-O 3.17Å; W49-N65 WeakPolarHBondContact CZ2-O 3.22Å; W49-N65 WeakPolarHBondContact O-CA 3.34Å; W49-N65 WeakPolarHBondContact O-CB 3.33Å; W49-A66 PolarHBondContact O-N 2.86Å; W49-R69 VanDerWaalsContact CZ2-CD 3.45Å; W49-C172 CarbonylContact C-O 3.54Å; W49-C172 WeakPolarHBondContact CA-O 3.09Å; W49-C172 VanDerWaalsContact CB-O 3.26Å; W49-C172 WeakPolarHBondContact CB-O 3.29Å; W49-V173 HydrophobicContact CB-CG1 4.33Å; W49-S236 PolarHBondContact NE1-OG 3.44Å; W49-F237 HydrophobicContact CB-CD2 4.44Å; W49-F237 HydrophobicContact CB-CE2 4.32Å; W49-F237 AromaticContact CD1-CD2 3.64Å; W49-F237 AromaticContact CD1-CE2 3.51Å; W49-F237 HydrophobicContact CD2-CD2 4.09Å; W49-F237 AromaticContact CD2-CE2 3.22Å; W49-F237 HydrophobicContact CD2-CE2 3.22Å; W49-F237 AromaticContact CD2-CZ 3.64Å; W49-F237 HydrophobicContact CD2-CZ 3.64Å; W49-F237 AromaticContact CE2-CE1 3.98Å; W49-F237 AromaticContact CE2-CE2 3.22Å; W49-F237 AromaticContact CE2-CZ 3.12Å; W49-F237 AromaticContact CE3-CE2 3.75Å; W49-F237 HydrophobicContact CE3-CE2 3.75Å; W49-F237 HydrophobicContact CE3-CZ 4.12Å; W49-F237 AromaticContact CG-CD2 3.82Å; W49-F237 HydrophobicContact CG-CD2 3.82Å; W49-F237 AromaticContact CG-CE2 3.44Å; W49-F237 HydrophobicContact CG-CE2 3.44Å; W49-F237 VanDerWaalsContact CG-CE2 3.44Å; W49-F237 HydrophobicContact CG-CZ 4.2Å; W49-F237 HydrophobicContact CH2-CE2 4.28Å; W49-F237 AromaticContact CH2-CZ 3.79Å; W49-F237 HydrophobicContact CH2-CZ 3.79Å; W49-F237 HydrophobicContact CZ2-CE1 4.04Å; W49-F237 AromaticContact CZ2-CE2 3.8Å; W49-F237 HydrophobicContact CZ2-CE2 3.8Å; W49-F237 AromaticContact CZ2-CZ 3.22Å; W49-F237 HydrophobicContact CZ2-CZ 3.22Å; W49-F237 HydrophobicContact CZ3-CE2 4.26Å; W49-F237 HydrophobicContact CZ3-CZ 4.2Å; W49-F237 AromaticContact NE1-CD2 3.83Å; W49-F237 AromaticContact NE1-CE1 3.89Å; W49-F237 AromaticContact NE1-CE2 3.37Å; W49-F237 AromaticContact NE1-CZ 3.4Å; W49-L353 HydrophobicContact CH2-CD1 4.29Å; W49-L353 HydrophobicContact CZ3-CD1 4.19Å
50	F	98.1	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.5	160.4	61.9	-105.2	0	0	0	110.2	C39 L40 V47 M64 N65 M83 M84 T87 F170 L171 C172	C39-F50 HydrophobicContact CB-CD1 3.81Å; C39-F50 HydrophobicContact CB-CE1 3.76Å; L40-F50 VanDerWaalsContact O-CE1 3.31Å; L40-F50 WeakPolarHBondContact O-CE1 3.34Å; V47-F50 HydrophobicContact CG2-CD1 4.08Å; F50-M64 CarbonylContact C-O 3.39Å; F50-M64 WeakPolarHBondContact CA-O 3.38Å; F50-N65 HydrophobicContact CB-CB 3.91Å; F50-M83 HydrophobicContact CB-SD 4.21Å; F50-M83 HydrophobicContact CD1-CB 4.07Å; F50-M83 HydrophobicContact CD1-CG 4.39Å; F50-M83 HydrophobicContact CD2-CB 4.34Å; F50-M83 HydrophobicContact CD2-CG 3.77Å; F50-M83 HydrophobicContact CD2-SD 3.65Å; F50-M83 HydrophobicContact CE1-CB 4.01Å; F50-M83 HydrophobicContact CE1-CG 4.32Å; F50-M83 HydrophobicContact CE2-CB 4.31Å; F50-M83 HydrophobicContact CE2-CG 3.71Å; F50-M83 HydrophobicContact CE2-SD 4.18Å; F50-M83 HydrophobicContact CG-CB 4.24Å; F50-M83 HydrophobicContact CG-CG 4.13Å; F50-M83 HydrophobicContact CG-SD 3.96Å; F50-M83 HydrophobicContact CZ-CB 4.13Å; F50-M83 HydrophobicContact CZ-CG 3.99Å; F50-M84 HydrophobicContact CE2-CG 4.38Å; F50-M84 HydrophobicContact CE2-SD 3.86Å; F50-M84 HydrophobicContact CZ-SD 4.12Å; F50-T87 WeakPolarHBondContact CE1-OG1 3.46Å; F50-F170 HydrophobicContact CD2-CD2 4.08Å; F50-F170 HydrophobicContact CD2-CE2 4.16Å; F50-F170 AromaticContact CE2-CD2 3.79Å; F50-F170 HydrophobicContact CE2-CD2 3.79Å; F50-F170 HydrophobicContact CE2-CE2 4.09Å; F50-L171 WeakPolarHBondContact O-CA 3.43Å; F50-C172 HydrophobicContact CD1-CB 3.76Å; F50-C172 HydrophobicContact CD2-CB 3.95Å; F50-C172 HydrophobicContact CE1-CB 3.31Å; F50-C172 HydrophobicContact CE2-CB 3.5Å; F50-C172 VanDerWaalsContact CE2-CB 3.5Å; F50-C172 HydrophobicContact CG-CB 4.06Å; F50-C172 HydrophobicContact CZ-CB 3.17Å; F50-C172 PolarHBondContact N-O 2.8Å; F50-C172 PolarHBondContact O-N 3.45Å
51	V	98.3	Very high	97	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.8	167.1	69.9	0	0	0	0	108.5	W49 F63 M64 W71 F170 L171 L329 L353 F357	W49-V51 HydrophobicContact CZ3-CG1 4.27Å; V51-F63 CarbonylContact O-C 3.44Å; V51-F63 VanDerWaalsContact O-CA 3.26Å; V51-F63 WeakPolarHBondContact O-CA 3.12Å; V51-F63 WeakPolarHBondContact O-CB 3.34Å; V51-M64 HydrophobicContact CG1-CB 3.98Å; V51-M64 HydrophobicContact CG1-CE 3.75Å; V51-M64 PolarHBondContact N-O 2.93Å; V51-M64 PolarHBondContact O-N 3.29Å; V51-M64 VanDerWaalsContact O-O 3.07Å; V51-W71 HydrophobicContact CG1-CH2 4.37Å; V51-F170 CarbonylContact C-O 3.39Å; V51-F170 WeakPolarHBondContact CA-O 3.45Å; V51-F170 WeakPolarHBondContact CG2-O 3.49Å; V51-L171 HydrophobicContact CB-CD1 4.37Å; V51-L329 HydrophobicContact CG2-CD1 4.39Å; V51-L329 HydrophobicContact CG2-CD2 3.64Å; V51-L353 HydrophobicContact CG1-CD1 3.79Å; V51-F357 HydrophobicContact CG1-CE2 4.17Å; V51-F357 HydrophobicContact CG1-CZ 4.48Å; V51-F357 HydrophobicContact CG2-CE2 4.21Å; V51-F357 HydrophobicContact CG2-CZ 3.81Å
52	G	97.5	Very high	97.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.9	176.9	0	0	0	0	0	113.7	V62 H169 F170	G52-V62 CarbonylContact C-O 3.44Å; G52-V62 VanDerWaalsContact CA-O 3.27Å; G52-V62 WeakPolarHBondContact CA-O 3.47Å; G52-H169 WeakPolarHBondContact O-CA 3.11Å; G52-F170 VanDerWaalsContact CA-CZ 3.47Å; G52-F170 PolarHBondContact N-O 3.4Å; G52-F170 PolarHBondContact O-N 3.09Å
53	Y	97.9	Very high	97.2	Very high	2 Å²	2	31 Å²	31	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	113.9	-179.5	-140.7	-67.2	0	0	0	108.4	V61 V62 W71 Q168 I292 I294 I301 D306 A308 W310	Y53-V61 WeakPolarHBondContact O-CA 3.28Å; Y53-V62 PolarHBondContact N-O 2.65Å; Y53-V62 PolarHBondContact O-N 3.16Å; Y53-W71 HydrophobicContact CD2-CH2 4.48Å; Y53-Q168 CarbonylContact C-O 3.59Å; Y53-Q168 WeakPolarHBondContact CA-O 3.27Å; Y53-I292 HydrophobicContact CE1-CD1 4.29Å; Y53-I292 HydrophobicContact CE2-CD1 3.94Å; Y53-I292 VanDerWaalsContact OH-CD1 3.3Å; Y53-I292 WeakPolarHBondContact OH-CD1 3.47Å; Y53-I294 HydrophobicContact CD1-CD1 4.16Å; Y53-I294 HydrophobicContact CG-CD1 4.08Å; Y53-I301 HydrophobicContact CD1-CD1 4.28Å; Y53-I301 HydrophobicContact CE1-CD1 3.9Å; Y53-D306 WeakPolarHBondContact CE1-OD2 3.29Å; Y53-D306 VanDerWaalsContact CZ-OD2 3.24Å; Y53-D306 PolarHBondContact OH-OD1 2.8Å; Y53-D306 PolarHBondContact OH-OD2 2.89Å; Y53-A308 HydrophobicContact CE1-CB 4.19Å; Y53-A308 HydrophobicContact CE2-CB 4.05Å; Y53-A308 WeakPolarHBondContact OH-CB 3.49Å; Y53-W310 AromaticContact CE2-NE1 3.55Å
54	K	98.1	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.1	169.5	-176.4	-145	73.7	81.5	0	108.8	G58 D60 V61 I78 Y159 G163 H164 Y166 G167 Q168	K54-G58 PolarHBondContact NZ-O 3.26Å; K54-D60 CarbonylContact C-O 3.5Å; K54-D60 WeakPolarHBondContact CA-O 3.43Å; K54-V61 HydrophobicContact CB-CG2 3.89Å; K54-V61 HydrophobicContact CG-CG2 4.18Å; K54-I78 HydrophobicContact CD-CG2 4.17Å; K54-I78 HydrophobicContact CG-CG2 4.07Å; K54-Y159 WeakPolarHBondContact CD-OH 3.09Å; K54-G163 WeakPolarHBondContact CE-O 3.49Å; K54-G163 PolarHBondContact NZ-O 3.28Å; K54-G163 VanDerWaalsContact NZ-O 3.09Å; K54-H164 PolarHBondContact NZ-O 2.72Å; K54-Y166 WeakPolarHBondContact CE-O 3.15Å; K54-Y166 PolarHBondContact NZ-O 2.86Å; K54-G167 VanDerWaalsContact O-CA 3.29Å; K54-G167 WeakPolarHBondContact O-CA 3.42Å; K54-Q168 HydrophobicContact CB-CB 4.18Å; K54-Q168 HydrophobicContact CD-CG 4.41Å; K54-Q168 PolarHBondContact N-O 2.9Å; K54-Q168 PolarHBondContact O-N 3.48Å
55	L	97.8	Very high	97.3	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.073	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-72.5	144.9	-178.3	-55.8	-177.1	0	0	0	111.4	D60 I294 T297 I301	L55-D60 HydrophobicContact CD1-CB 4.3Å; L55-D60 PolarHBondContact N-O 2.87Å; L55-I294 HydrophobicContact CD2-CD1 3.65Å; L55-T297 HydrophobicContact CD1-CG2 3.97Å; L55-I301 HydrophobicContact CD2-CD1 4.13Å
56	P	97.2	Very high	97.1	Very high	26 Å²	26	21.5 Å²	21.5	17%	0.169	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	158.6	175.6	-18.3	27	0	0	0	113	G58 I301	P56-G58 PolarHBondContact O-N 3.4Å; P56-I301 HydrophobicContact CG-CB 4.39Å; P56-I301 HydrophobicContact CG-CD1 4.2Å; P56-I301 HydrophobicContact CG-CG1 3.98Å; P56-I301 HydrophobicContact CG-CG2 3.6Å
57	K	96.3	Very high	96.8	Very high	153 Å²	153	24.9 Å²	24.9	67%	0.665	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	38.3	176.8	-55.6	179.3	-179.2	178.3	0	114	H164 T165	K57-H164 WeakPolarHBondContact CA-O 3.46Å; K57-H164 PolarHBondContact N-O 3.18Å; K57-H164 PolarHBondContact O-CE1 3.24Å; K57-H164 PolarHBondContact O-NE2 2.03Å; K57-T165 PolarHBondContact N-O 3.09Å
58	G	96.7	Very high	96.5	Very high	14 Å²	14	28.5 Å²	28.5	14%	0.144	15%	0.147	C	C	.	.	S	Bend	trans	179.6	-172.7	-177.8	0	0	0	0	0	112.1	K54 P56 H164	K54-G58 PolarHBondContact NZ-O 3.26Å; P56-G58 PolarHBondContact O-N 3.4Å; G58-H164 PolarHBondContact N-NE2 2.91Å; G58-H164 PolarHBondContact N-O 3.18Å; G58-H164 VanDerWaalsContact N-O 3.08Å
59	Y	97.7	Very high	96.2	Very high	50 Å²	50	31 Å²	31	20%	0.196	16%	0.156	C	C	.	.			trans	-119.9	2.3	177.8	-60.6	-65.8	0	0	0	112.5	P77 I78 N79 Y159 H164	Y59-P77 WeakPolarHBondContact O-CA 3.3Å; Y59-I78 HydrophobicContact CD1-CG2 4.27Å; Y59-I78 WeakPolarHBondContact O-CG2 3.46Å; Y59-I78 PolarHBondContact O-N 2.84Å; Y59-N79 VanDerWaalsContact CB-OD1 3.22Å; Y59-N79 WeakPolarHBondContact CB-OD1 3.28Å; Y59-N79 HydrophobicContact CD1-CB 3.97Å; Y59-N79 HydrophobicContact CE1-CB 4.29Å; Y59-N79 HydrophobicContact CG-CB 4.17Å; Y59-Y159 AromaticContact CD1-CD1 4Å; Y59-Y159 HydrophobicContact CD1-CD1 4Å; Y59-Y159 AromaticContact CD1-CE1 3.89Å; Y59-Y159 HydrophobicContact CD1-CE1 3.89Å; Y59-Y159 AromaticContact CE1-CD1 3.82Å; Y59-Y159 HydrophobicContact CE1-CD1 3.82Å; Y59-Y159 AromaticContact CE1-CE1 3.84Å; Y59-Y159 HydrophobicContact CE1-CE1 3.84Å; Y59-H164 HydrophobicContact CE1-CB 3.95Å; Y59-H164 AromaticContact CE2-CD2 3.65Å; Y59-H164 AromaticContact CZ-CD2 3.75Å
60	D	97.9	Very high	95.9	Very high	87 Å²	87	36.2 Å²	36.2	47%	0.465	18%	0.184	S	C	.	.			trans	-64.5	141.6	177.2	-65.7	-23.6	0	0	0	110.6	K54 L55 L73	K54-D60 CarbonylContact C-O 3.5Å; K54-D60 WeakPolarHBondContact CA-O 3.43Å; L55-D60 HydrophobicContact CD1-CB 4.3Å; L55-D60 PolarHBondContact N-O 2.87Å; D60-L73 HydrophobicContact CB-CD1 4.29Å
61	V	98	Very high	95.7	Very high	4 Å²	4	38 Å²	38	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	133.6	-176.7	161.9	0	0	0	0	109.3	Y53 K54 F63 S74 I78 M83 F170	Y53-V61 WeakPolarHBondContact O-CA 3.28Å; K54-V61 HydrophobicContact CB-CG2 3.89Å; K54-V61 HydrophobicContact CG-CG2 4.18Å; V61-F63 HydrophobicContact CG1-CB 4.27Å; V61-S74 WeakPolarHBondContact O-CB 3.06Å; V61-S74 PolarHBondContact O-N 3.02Å; V61-I78 HydrophobicContact CG2-CB 3.65Å; V61-I78 HydrophobicContact CG2-CD1 3.92Å; V61-I78 HydrophobicContact CG2-CG1 4.15Å; V61-I78 HydrophobicContact CG2-CG2 4.37Å; V61-M83 HydrophobicContact CG1-CE 4.35Å; V61-F170 HydrophobicContact CG1-CE1 4.29Å; V61-F170 HydrophobicContact CG1-CZ 3.64Å; V61-F170 HydrophobicContact CG2-CE1 4.15Å; V61-F170 HydrophobicContact CG2-CZ 4.18Å
62	V	97.6	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.4	156.7	-64.2	0	0	0	0	109.7	G52 Y53 W71 K72 L73 I294 A296 T297	G52-V62 CarbonylContact C-O 3.44Å; G52-V62 VanDerWaalsContact CA-O 3.27Å; G52-V62 WeakPolarHBondContact CA-O 3.47Å; Y53-V62 PolarHBondContact N-O 2.65Å; Y53-V62 PolarHBondContact O-N 3.16Å; V62-W71 HydrophobicContact CB-CB 4.49Å; V62-W71 HydrophobicContact CB-CE3 3.94Å; V62-W71 HydrophobicContact CG2-CD2 4.11Å; V62-W71 HydrophobicContact CG2-CE3 3.61Å; V62-W71 HydrophobicContact CG2-CZ3 4.02Å; V62-K72 CarbonylContact C-O 3.57Å; V62-K72 VanDerWaalsContact CA-O 3.23Å; V62-K72 WeakPolarHBondContact CA-O 3.21Å; V62-L73 HydrophobicContact CG1-CD1 4.37Å; V62-I294 HydrophobicContact CB-CG2 4.42Å; V62-I294 HydrophobicContact CG1-CG2 4.04Å; V62-I294 HydrophobicContact CG2-CD1 4.03Å; V62-I294 HydrophobicContact CG2-CG2 3.81Å; V62-A296 HydrophobicContact CG1-CB 4.23Å; V62-T297 HydrophobicContact CG1-CG2 3.57Å
63	F	97.6	Very high	95.5	Very high	9 Å²	9	46.1 Å²	46.1	4%	0.039	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	166.6	-179.5	75.7	-80.4	0	0	0	113.1	D42 V51 V61 K72 M83	D42-F63 HydrophobicContact CB-CZ 4.45Å; D42-F63 VanDerWaalsContact OD2-CE1 3.23Å; D42-F63 WeakPolarHBondContact OD2-CE1 3.33Å; V51-F63 CarbonylContact O-C 3.44Å; V51-F63 VanDerWaalsContact O-CA 3.26Å; V51-F63 WeakPolarHBondContact O-CA 3.12Å; V51-F63 WeakPolarHBondContact O-CB 3.34Å; V61-F63 HydrophobicContact CG1-CB 4.27Å; F63-K72 VanDerWaalsContact CD1-O 3.23Å; F63-K72 WeakPolarHBondContact CD1-O 3.46Å; F63-K72 HydrophobicContact CE1-CB 4.36Å; F63-K72 HydrophobicContact CE1-CD 4.37Å; F63-K72 HydrophobicContact CE1-CG 4.43Å; F63-K72 HydrophobicContact CZ-CD 4.29Å; F63-K72 PolarHBondContact N-O 3.01Å; F63-K72 PolarHBondContact O-N 2.81Å; F63-M83 HydrophobicContact CB-CE 3.42Å; F63-M83 VanDerWaalsContact CB-CE 3.42Å; F63-M83 HydrophobicContact CB-SD 3.65Å; F63-M83 HydrophobicContact CD1-CE 3.44Å; F63-M83 VanDerWaalsContact CD1-CE 3.44Å; F63-M83 HydrophobicContact CD2-CE 3.49Å; F63-M83 VanDerWaalsContact CD2-CE 3.49Å; F63-M83 HydrophobicContact CD2-SD 3.97Å; F63-M83 HydrophobicContact CE1-CE 4Å; F63-M83 HydrophobicContact CE2-CE 4.04Å; F63-M83 HydrophobicContact CG-CE 3.15Å; F63-M83 HydrophobicContact CG-SD 3.89Å; F63-M83 HydrophobicContact CZ-CE 4.26Å
64	M	97	Very high	95.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	150.7	167.3	-68.1	176.4	-70.8	0	0	108.2	W49 F50 V51 Q68 W71 L353 F357	W49-M64 HydrophobicContact CH2-CB 4.45Å; W49-M64 HydrophobicContact CZ3-CB 4.22Å; F50-M64 CarbonylContact C-O 3.39Å; F50-M64 WeakPolarHBondContact CA-O 3.38Å; V51-M64 HydrophobicContact CG1-CB 3.98Å; V51-M64 HydrophobicContact CG1-CE 3.75Å; V51-M64 PolarHBondContact N-O 2.93Å; V51-M64 PolarHBondContact O-N 3.29Å; V51-M64 VanDerWaalsContact O-O 3.07Å; M64-Q68 CarbonylContact C-O 3.54Å; M64-Q68 VanDerWaalsContact CA-O 3.3Å; M64-Q68 WeakPolarHBondContact CA-O 3.31Å; M64-W71 HydrophobicContact CE-CD2 3.73Å; M64-W71 VanDerWaalsContact CE-CE2 3.48Å; M64-W71 HydrophobicContact CE-CE3 3.88Å; M64-W71 HydrophobicContact CE-CG 4.48Å; M64-W71 HydrophobicContact CE-CH2 3.63Å; M64-W71 HydrophobicContact CE-CZ2 3.45Å; M64-W71 VanDerWaalsContact CE-CZ2 3.45Å; M64-W71 HydrophobicContact CE-CZ3 3.84Å; M64-W71 HydrophobicContact CG-CD2 4.28Å; M64-W71 HydrophobicContact CG-CE3 4.07Å; M64-W71 HydrophobicContact SD-CD2 4.24Å; M64-W71 HydrophobicContact SD-CG 4.48Å; M64-L353 HydrophobicContact CE-CD1 3.65Å; M64-L353 HydrophobicContact SD-CD1 4.32Å; M64-F357 HydrophobicContact CE-CD2 4.28Å; M64-F357 HydrophobicContact CE-CE2 3.85Å
65	N	96	Very high	95.3	Very high	7 Å²	7	53 Å²	53	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	-178	172	67.2	11.7	0	0	0	110.1	W49 F50 D67 Q68 R69	W49-N65 WeakPolarHBondContact CH2-O 3.17Å; W49-N65 WeakPolarHBondContact CZ2-O 3.22Å; W49-N65 WeakPolarHBondContact O-CA 3.34Å; W49-N65 WeakPolarHBondContact O-CB 3.33Å; F50-N65 HydrophobicContact CB-CB 3.91Å; N65-D67 PolarHBondContact O-N 3.17Å; N65-D67 VanDerWaalsContact O-N 3.11Å; N65-D67 PolarHBondContact OD1-N 2.99Å; N65-D67 VanDerWaalsContact OD1-N 3.12Å; N65-Q68 PolarHBondContact N-O 3.35Å; N65-Q68 CarbonylContact O-C 3.59Å; N65-Q68 PolarHBondContact O-N 2.92Å; N65-Q68 VanDerWaalsContact O-O 3.11Å; N65-Q68 WeakPolarHBondContact OD1-CB 3.09Å; N65-Q68 PolarHBondContact OD1-N 2.89Å; N65-R69 VanDerWaalsContact O-CD 3.26Å; N65-R69 WeakPolarHBondContact O-CD 3.47Å
66	A	91.6	Very high	95.2	Very high	27 Å²	27	53.9 Å²	53.9	22%	0.223	27%	0.269	C	S	.	.	S	Bend	trans	-52.1	-34.3	179.9	0	0	0	0	0	113.4	D48 W49	D48-A66 HydrophobicContact CB-CB 4.32Å; W49-A66 PolarHBondContact O-N 2.86Å
67	D	89.8	Confident	95.2	Very high	122 Å²	122	54 Å²	54	65%	0.652	27%	0.27	S	S	*	.	S	Bend	trans	-94.9	-26.4	-174.2	-52.6	-46.1	0	0	0	113.3	N65	N65-D67 PolarHBondContact O-N 3.17Å; N65-D67 VanDerWaalsContact O-N 3.11Å; N65-D67 PolarHBondContact OD1-N 2.99Å; N65-D67 VanDerWaalsContact OD1-N 3.12Å
68	Q	90.9	Very high	95.3	Very high	78 Å²	78	47 Å²	47	36%	0.364	24%	0.24	S	C	.	.			trans	-124.8	99.6	179.8	179.8	69.9	-49.6	0	0	110.3	M64 N65 K72	M64-Q68 CarbonylContact C-O 3.54Å; M64-Q68 VanDerWaalsContact CA-O 3.3Å; M64-Q68 WeakPolarHBondContact CA-O 3.31Å; N65-Q68 PolarHBondContact N-O 3.35Å; N65-Q68 CarbonylContact O-C 3.59Å; N65-Q68 PolarHBondContact O-N 2.92Å; N65-Q68 VanDerWaalsContact O-O 3.11Å; N65-Q68 WeakPolarHBondContact OD1-CB 3.09Å; N65-Q68 PolarHBondContact OD1-N 2.89Å; Q68-K72 HydrophobicContact CG-CB 4.24Å; Q68-K72 HydrophobicContact CG-CD 4.24Å
69	R	90.2	Very high	95.4	Very high	56 Å²	56	48.9 Å²	48.9	21%	0.211	25%	0.246	C	C	.	.			trans	-93.8	9.3	-168.8	-58.8	-66.8	-69	-97.4	-1.8	115.2	W49 N65 D350	W49-R69 VanDerWaalsContact CZ2-CD 3.45Å; N65-R69 VanDerWaalsContact O-CD 3.26Å; N65-R69 WeakPolarHBondContact O-CD 3.47Å; R69-D350 IonicContact CZ-OD1 3.77Å; R69-D350 IonicContact CZ-OD2 2.7Å; R69-D350 IonicContact NH2-OD1 3.99Å; R69-D350 PolarHBondContact NH2-OD1 3.21Å; R69-D350 IonicContact NH2-OD2 3.22Å; R69-D350 PolarHBondContact NH2-OD2 3.38Å
70	N	91.8	Very high	95.3	Very high	111 Å²	111	51.6 Å²	51.6	59%	0.594	26%	0.261	S	S	*	.	S	Bend	trans	-120.4	146.9	173.5	-65.8	-54.1	0	0	0	109.4	K72	N70-K72 PolarHBondContact O-N 2.98Å; N70-K72 VanDerWaalsContact O-N 3.12Å
71	W	94.8	Very high	95.3	Very high	37 Å²	37	53.8 Å²	53.8	14%	0.14	27%	0.266	C	S	.	.			trans	-50.6	120.1	175.5	-71	121.2	0	0	0	111.2	V51 Y53 V62 M64 A296 S356 F357	V51-W71 HydrophobicContact CG1-CH2 4.37Å; Y53-W71 HydrophobicContact CD2-CH2 4.48Å; V62-W71 HydrophobicContact CB-CB 4.49Å; V62-W71 HydrophobicContact CB-CE3 3.94Å; V62-W71 HydrophobicContact CG2-CD2 4.11Å; V62-W71 HydrophobicContact CG2-CE3 3.61Å; V62-W71 HydrophobicContact CG2-CZ3 4.02Å; M64-W71 HydrophobicContact CE-CD2 3.73Å; M64-W71 VanDerWaalsContact CE-CE2 3.48Å; M64-W71 HydrophobicContact CE-CE3 3.88Å; M64-W71 HydrophobicContact CE-CG 4.48Å; M64-W71 HydrophobicContact CE-CH2 3.63Å; M64-W71 HydrophobicContact CE-CZ2 3.45Å; M64-W71 VanDerWaalsContact CE-CZ2 3.45Å; M64-W71 HydrophobicContact CE-CZ3 3.84Å; M64-W71 HydrophobicContact CG-CD2 4.28Å; M64-W71 HydrophobicContact CG-CE3 4.07Å; M64-W71 HydrophobicContact SD-CD2 4.24Å; M64-W71 HydrophobicContact SD-CG 4.48Å; W71-A296 HydrophobicContact CB-CB 3.85Å; W71-A296 WeakPolarHBondContact O-CB 3.33Å; W71-S356 PolarHBondContact NE1-O 3.32Å; W71-F357 HydrophobicContact CH2-CE1 4.31Å; W71-F357 AromaticContact CH2-CE2 3.92Å; W71-F357 HydrophobicContact CH2-CE2 3.92Å; W71-F357 AromaticContact CH2-CZ 3.64Å; W71-F357 HydrophobicContact CH2-CZ 3.64Å; W71-F357 HydrophobicContact CZ2-CD1 4.49Å; W71-F357 HydrophobicContact CZ2-CD2 4.16Å; W71-F357 HydrophobicContact CZ2-CE1 4.07Å; W71-F357 AromaticContact CZ2-CE2 3.69Å; W71-F357 HydrophobicContact CZ2-CE2 3.69Å; W71-F357 AromaticContact CZ2-CZ 3.64Å; W71-F357 HydrophobicContact CZ2-CZ 3.64Å
72	K	95.1	Very high	95.2	Very high	86 Å²	86	53.8 Å²	53.8	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	136	176.6	-177.5	-175.2	176.1	179.7	0	109.3	V62 F63 Q68 N70 S74	V62-K72 CarbonylContact C-O 3.57Å; V62-K72 VanDerWaalsContact CA-O 3.23Å; V62-K72 WeakPolarHBondContact CA-O 3.21Å; F63-K72 VanDerWaalsContact CD1-O 3.23Å; F63-K72 WeakPolarHBondContact CD1-O 3.46Å; F63-K72 HydrophobicContact CE1-CB 4.36Å; F63-K72 HydrophobicContact CE1-CD 4.37Å; F63-K72 HydrophobicContact CE1-CG 4.43Å; F63-K72 HydrophobicContact CZ-CD 4.29Å; F63-K72 PolarHBondContact N-O 3.01Å; F63-K72 PolarHBondContact O-N 2.81Å; Q68-K72 HydrophobicContact CG-CB 4.24Å; Q68-K72 HydrophobicContact CG-CD 4.24Å; N70-K72 PolarHBondContact O-N 2.98Å; N70-K72 VanDerWaalsContact O-N 3.12Å; K72-S74 PolarHBondContact O-N 2.86Å
73	L	96.6	Very high	95.2	Very high	85 Å²	85	54 Å²	54	45%	0.445	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.8	170.7	-172.5	67.8	0	0	0	109.9	D60 V62 T297	D60-L73 HydrophobicContact CB-CD1 4.29Å; V62-L73 HydrophobicContact CG1-CD1 4.37Å; L73-T297 HydrophobicContact CD1-CG2 3.97Å
74	S	97	Very high	95.2	Very high	15 Å²	15	53.7 Å²	53.7	11%	0.105	27%	0.267	C	S	.	.			trans	-62.4	146.4	173.6	-176.7	0	0	0	0	110.9	D42 V61 K72 S76	D42-S74 VanDerWaalsContact CG-OG 3.29Å; D42-S74 PolarHBondContact OD1-OG 2.87Å; D42-S74 WeakPolarHBondContact OD2-CA 3.25Å; D42-S74 VanDerWaalsContact OD2-CB 3.29Å; D42-S74 WeakPolarHBondContact OD2-CB 3.09Å; D42-S74 PolarHBondContact OD2-OG 2.93Å; V61-S74 WeakPolarHBondContact O-CB 3.06Å; V61-S74 PolarHBondContact O-N 3.02Å; K72-S74 PolarHBondContact O-N 2.86Å; S74-S76 WeakPolarHBondContact CB-O 3.47Å; S74-S76 PolarHBondContact O-N 3.35Å; S74-S76 PolarHBondContact OG-N 3.41Å; S74-S76 PolarHBondContact OG-O 3.47Å
75	K	94.8	Very high	95.3	Very high	132 Å²	132	56.9 Å²	56.9	57%	0.574	28%	0.281	S	S	*	.	S	Bend	trans	-68.6	-15.5	177	-62	177.9	-168	162.8	0	112.4	D43	D43-K75 IonicContact OD1-NZ 2.7Å; D43-K75 PolarHBondContact OD1-NZ 2.55Å; D43-K75 IonicContact OD2-NZ 3.52Å; D43-K75 PolarHBondContact OD2-NZ 3.16Å
76	S	95.5	Very high	95.3	Very high	33 Å²	33	58.6 Å²	58.6	23%	0.231	29%	0.29	C	S	.	.	S	Bend	trans	-145.3	150.9	-176.2	-63.9	0	0	0	0	110.4	S74	S74-S76 WeakPolarHBondContact CB-O 3.47Å; S74-S76 PolarHBondContact O-N 3.35Å; S74-S76 PolarHBondContact OG-N 3.41Å; S74-S76 PolarHBondContact OG-O 3.47Å
77	P	97.3	Very high	95.7	Very high	27 Å²	27	57.3 Å²	57.3	18%	0.175	28%	0.279	C	S	.	.			trans	-69	149.4	176.8	31.9	-36.9	0	0	0	110.5	Y59 N79 E80 K81	Y59-P77 WeakPolarHBondContact O-CA 3.3Å; P77-N79 VanDerWaalsContact CB-OD1 3.28Å; P77-N79 WeakPolarHBondContact CB-OD1 3.46Å; P77-N79 PolarHBondContact O-N 3.34Å; P77-E80 HydrophobicContact CG-CB 4.09Å; P77-E80 HydrophobicContact CG-CG 3.87Å; P77-E80 PolarHBondContact O-N 2.93Å; P77-K81 PolarHBondContact O-N 3.01Å
78	I	97.9	Very high	96.1	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.1	-172.8	-164.4	167	0	0	0	113.6	K54 Y59 V61 E80 M84 I147 Y157 Y159 F170	K54-I78 HydrophobicContact CD-CG2 4.17Å; K54-I78 HydrophobicContact CG-CG2 4.07Å; Y59-I78 HydrophobicContact CD1-CG2 4.27Å; Y59-I78 WeakPolarHBondContact O-CG2 3.46Å; Y59-I78 PolarHBondContact O-N 2.84Å; V61-I78 HydrophobicContact CG2-CB 3.65Å; V61-I78 HydrophobicContact CG2-CD1 3.92Å; V61-I78 HydrophobicContact CG2-CG1 4.15Å; V61-I78 HydrophobicContact CG2-CG2 4.37Å; I78-E80 VanDerWaalsContact C-N 3.29Å; I78-E80 PolarHBondContact O-N 3.01Å; I78-M84 HydrophobicContact CD1-CG 4.23Å; I78-M84 HydrophobicContact CG1-CB 4.42Å; I78-I147 HydrophobicContact CD1-CD1 4.28Å; I78-Y157 WeakPolarHBondContact CG1-OH 3.33Å; I78-Y157 VanDerWaalsContact O-CE1 3.28Å; I78-Y157 WeakPolarHBondContact O-CE1 3.42Å; I78-Y157 PolarHBondContact O-OH 2.98Å; I78-Y159 HydrophobicContact CB-CD2 4.47Å; I78-Y159 HydrophobicContact CB-CE2 4.35Å; I78-Y159 HydrophobicContact CD1-CD2 4.33Å; I78-Y159 HydrophobicContact CD1-CE2 3.74Å; I78-Y159 HydrophobicContact CG1-CD2 4.02Å; I78-Y159 HydrophobicContact CG1-CE2 3.9Å; I78-Y159 HydrophobicContact CG2-CD1 4.38Å; I78-Y159 HydrophobicContact CG2-CD2 3.8Å; I78-Y159 HydrophobicContact CG2-CE1 4.16Å; I78-Y159 HydrophobicContact CG2-CE2 3.54Å; I78-Y159 HydrophobicContact CG2-CG 4.23Å; I78-F170 HydrophobicContact CD1-CD1 4.11Å; I78-F170 HydrophobicContact CD1-CE1 3.59Å; I78-F170 HydrophobicContact CD1-CZ 4.15Å
79	N	97.5	Very high	96.4	Very high	53 Å²	53	50.2 Å²	50.2	28%	0.283	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.7	-179.4	65.5	-46.8	0	0	0	113.8	Y59 P77 Y159	Y59-N79 VanDerWaalsContact CB-OD1 3.22Å; Y59-N79 WeakPolarHBondContact CB-OD1 3.28Å; Y59-N79 HydrophobicContact CD1-CB 3.97Å; Y59-N79 HydrophobicContact CE1-CB 4.29Å; Y59-N79 HydrophobicContact CG-CB 4.17Å; P77-N79 VanDerWaalsContact CB-OD1 3.28Å; P77-N79 WeakPolarHBondContact CB-OD1 3.46Å; P77-N79 PolarHBondContact O-N 3.34Å; N79-Y159 HydrophobicContact CB-CD1 4.06Å; N79-Y159 HydrophobicContact CB-CG 3.98Å
80	E	96.9	Very high	96.7	Very high	108 Å²	108	48.5 Å²	48.5	51%	0.505	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-51.5	-175.4	-67.5	-179.3	-166.8	0	0	113.1	P77 I78 K85	P77-E80 HydrophobicContact CG-CB 4.09Å; P77-E80 HydrophobicContact CG-CG 3.87Å; P77-E80 PolarHBondContact O-N 2.93Å; I78-E80 VanDerWaalsContact C-N 3.29Å; I78-E80 PolarHBondContact O-N 3.01Å; E80-K85 WeakPolarHBondContact O-CD 3.11Å; E80-K85 PolarHBondContact O-NZ 3.35Å
81	K	96.9	Very high	97	Very high	132 Å²	132	43.2 Å²	43.2	57%	0.574	21%	0.211	S	C	*	.	S	Bend	trans	-150.2	-179.8	-175.1	-63.3	-175.1	-177.8	177.7	0	110.9	P77	P77-K81 PolarHBondContact O-N 3.01Å
82	G	96.7	Very high	97.1	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	21%	0.208	C	C	.	.	S	Bend	trans	108.3	-175.5	171.1	0	0	0	0	0	113.7	D42 M84 K85 N86	D42-G82 WeakPolarHBondContact OD1-CA 3.33Å; G82-M84 VanDerWaalsContact C-N 3.33Å; G82-M84 PolarHBondContact O-N 3.08Å; G82-K85 PolarHBondContact O-N 3.27Å; G82-K85 VanDerWaalsContact O-N 3.08Å; G82-N86 VanDerWaalsContact O-CG 3.32Å; G82-N86 PolarHBondContact O-N 3.33Å; G82-N86 PolarHBondContact O-ND2 3.4Å
83	M	97.3	Very high	97.1	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-51.6	-44.2	-169.4	70.1	-155.4	76.6	0	0	114.6	L40 D41 D42 F50 V61 F63 T87 F170	L40-M83 VanDerWaalsContact O-CA 3.25Å; L40-M83 WeakPolarHBondContact O-CA 3.49Å; L40-M83 WeakPolarHBondContact O-CB 3.44Å; D41-M83 WeakPolarHBondContact O-CA 3.38Å; D42-M83 WeakPolarHBondContact OD1-CE 3.26Å; D42-M83 PolarHBondContact OD1-N 3.46Å; F50-M83 HydrophobicContact CB-SD 4.21Å; F50-M83 HydrophobicContact CD1-CB 4.07Å; F50-M83 HydrophobicContact CD1-CG 4.39Å; F50-M83 HydrophobicContact CD2-CB 4.34Å; F50-M83 HydrophobicContact CD2-CG 3.77Å; F50-M83 HydrophobicContact CD2-SD 3.65Å; F50-M83 HydrophobicContact CE1-CB 4.01Å; F50-M83 HydrophobicContact CE1-CG 4.32Å; F50-M83 HydrophobicContact CE2-CB 4.31Å; F50-M83 HydrophobicContact CE2-CG 3.71Å; F50-M83 HydrophobicContact CE2-SD 4.18Å; F50-M83 HydrophobicContact CG-CB 4.24Å; F50-M83 HydrophobicContact CG-CG 4.13Å; F50-M83 HydrophobicContact CG-SD 3.96Å; F50-M83 HydrophobicContact CZ-CB 4.13Å; F50-M83 HydrophobicContact CZ-CG 3.99Å; V61-M83 HydrophobicContact CG1-CE 4.35Å; F63-M83 HydrophobicContact CB-CE 3.42Å; F63-M83 VanDerWaalsContact CB-CE 3.42Å; F63-M83 HydrophobicContact CB-SD 3.65Å; F63-M83 HydrophobicContact CD1-CE 3.44Å; F63-M83 VanDerWaalsContact CD1-CE 3.44Å; F63-M83 HydrophobicContact CD2-CE 3.49Å; F63-M83 VanDerWaalsContact CD2-CE 3.49Å; F63-M83 HydrophobicContact CD2-SD 3.97Å; F63-M83 HydrophobicContact CE1-CE 4Å; F63-M83 HydrophobicContact CE2-CE 4.04Å; F63-M83 HydrophobicContact CG-CE 3.15Å; F63-M83 HydrophobicContact CG-SD 3.89Å; F63-M83 HydrophobicContact CZ-CE 4.26Å; M83-T87 VanDerWaalsContact O-CB 3.24Å; M83-T87 WeakPolarHBondContact O-CB 3.4Å; M83-T87 PolarHBondContact O-N 2.88Å; M83-T87 PolarHBondContact O-OG1 2.84Å; M83-F170 HydrophobicContact CG-CE2 4.01Å; M83-F170 HydrophobicContact SD-CE2 3.66Å; M83-F170 HydrophobicContact SD-CZ 4.3Å
84	M	97.9	Very high	97.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-66.2	-45.4	180	-75.8	-68.4	-71.4	0	0	111.5	F50 I78 G82 F88 V143 I147 L150 Y157 F170	F50-M84 HydrophobicContact CE2-CG 4.38Å; F50-M84 HydrophobicContact CE2-SD 3.86Å; F50-M84 HydrophobicContact CZ-SD 4.12Å; I78-M84 HydrophobicContact CD1-CG 4.23Å; I78-M84 HydrophobicContact CG1-CB 4.42Å; G82-M84 VanDerWaalsContact C-N 3.33Å; G82-M84 PolarHBondContact O-N 3.08Å; M84-F88 HydrophobicContact CE-CD2 4.37Å; M84-F88 HydrophobicContact CE-CE2 3.62Å; M84-F88 HydrophobicContact CE-CZ 4.34Å; M84-F88 WeakPolarHBondContact O-CB 3.5Å; M84-F88 VanDerWaalsContact O-CD2 3.24Å; M84-F88 WeakPolarHBondContact O-CD2 3.42Å; M84-F88 PolarHBondContact O-N 2.93Å; M84-F88 HydrophobicContact SD-CE2 4.47Å; M84-V143 HydrophobicContact CE-CG1 4.07Å; M84-V143 HydrophobicContact SD-CG1 4.14Å; M84-I147 HydrophobicContact CE-CD1 4.44Å; M84-L150 HydrophobicContact CE-CD2 3.77Å; M84-Y157 HydrophobicContact CB-CE2 4Å; M84-Y157 WeakPolarHBondContact CB-OH 3.41Å; M84-F170 HydrophobicContact CE-CB 4.15Å; M84-F170 HydrophobicContact CE-CG 4.41Å; M84-F170 HydrophobicContact CG-CD1 4.37Å; M84-F170 HydrophobicContact CG-CD2 3.69Å; M84-F170 HydrophobicContact CG-CE1 4.45Å; M84-F170 HydrophobicContact CG-CE2 3.75Å; M84-F170 HydrophobicContact CG-CG 3.98Å; M84-F170 HydrophobicContact CG-CZ 4.12Å; M84-F170 HydrophobicContact SD-CB 3.88Å; M84-F170 HydrophobicContact SD-CD2 3.63Å; M84-F170 HydrophobicContact SD-CE2 4.29Å; M84-F170 HydrophobicContact SD-CG 3.8Å
85	K	98.1	Very high	96.9	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	22%	0.215	S	C	.	.	H	α-helix	trans	-63.6	-51	176.9	-179.8	167.6	-177.5	170.9	0	110.8	E80 G82 T87 F88 E89 Y157	E80-K85 WeakPolarHBondContact O-CD 3.11Å; E80-K85 PolarHBondContact O-NZ 3.35Å; G82-K85 PolarHBondContact O-N 3.27Å; G82-K85 VanDerWaalsContact O-N 3.08Å; K85-T87 VanDerWaalsContact C-N 3.27Å; K85-T87 PolarHBondContact O-N 3.45Å; K85-F88 PolarHBondContact O-N 2.81Å; K85-E89 HydrophobicContact CG-CG 3.94Å; K85-E89 WeakPolarHBondContact O-CB 3.48Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.09Å; K85-Y157 HydrophobicContact CB-CD1 3.56Å; K85-Y157 HydrophobicContact CB-CE1 3.82Å; K85-Y157 HydrophobicContact CB-CG 3.94Å; K85-Y157 HydrophobicContact CD-CD1 3.99Å; K85-Y157 HydrophobicContact CG-CD1 3.66Å; K85-Y157 HydrophobicContact CG-CE1 4.39Å; K85-Y157 HydrophobicContact CG-CG 3.95Å
86	N	97.8	Very high	96.8	Very high	44 Å²	44	44.1 Å²	44.1	24%	0.235	22%	0.221	C	C	.	.	H	α-helix	trans	-55	-46.1	-179.5	-67	-19.9	0	0	0	111	L40 D41 D42 G44 G82 S90	L40-N86 HydrophobicContact CB-CB 3.79Å; L40-N86 HydrophobicContact CD1-CB 4.08Å; D41-N86 PolarHBondContact O-ND2 3.18Å; D42-N86 PolarHBondContact O-ND2 3.42Å; G44-N86 PolarHBondContact N-ND2 3.01Å; G82-N86 VanDerWaalsContact O-CG 3.32Å; G82-N86 PolarHBondContact O-N 3.33Å; G82-N86 PolarHBondContact O-ND2 3.4Å; N86-S90 PolarHBondContact O-N 2.8Å
87	T	98.3	Very high	96.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-43.9	179.8	-58.1	0	0	0	0	113	L40 F50 M83 K85 S90 M91 F141 V143	L40-T87 PolarHBondContact N-OG1 3.16Å; L40-T87 PolarHBondContact O-OG1 3.3Å; F50-T87 WeakPolarHBondContact CE1-OG1 3.46Å; M83-T87 VanDerWaalsContact O-CB 3.24Å; M83-T87 WeakPolarHBondContact O-CB 3.4Å; M83-T87 PolarHBondContact O-N 2.88Å; M83-T87 PolarHBondContact O-OG1 2.84Å; K85-T87 VanDerWaalsContact C-N 3.27Å; K85-T87 PolarHBondContact O-N 3.45Å; T87-S90 PolarHBondContact O-N 3.38Å; T87-S90 PolarHBondContact O-OG 3.26Å; T87-M91 PolarHBondContact O-N 3.07Å; T87-F141 HydrophobicContact CG2-CD1 4.06Å; T87-F141 HydrophobicContact CG2-CD2 3.93Å; T87-F141 HydrophobicContact CG2-CE1 3.72Å; T87-F141 HydrophobicContact CG2-CE2 3.6Å; T87-F141 HydrophobicContact CG2-CG 4.13Å; T87-F141 HydrophobicContact CG2-CZ 3.44Å; T87-F141 VanDerWaalsContact CG2-CZ 3.44Å; T87-F141 VanDerWaalsContact O-CZ 3.28Å; T87-F141 WeakPolarHBondContact O-CZ 3.23Å; T87-V143 HydrophobicContact CG2-CG2 4.13Å
88	F	98.2	Very high	96.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.1	-41.1	177	-89.2	-112	0	0	0	111.9	M84 K85 S90 M91 F92 M104 A131 V143 L150 Y157	M84-F88 HydrophobicContact CE-CD2 4.37Å; M84-F88 HydrophobicContact CE-CE2 3.62Å; M84-F88 HydrophobicContact CE-CZ 4.34Å; M84-F88 WeakPolarHBondContact O-CB 3.5Å; M84-F88 VanDerWaalsContact O-CD2 3.24Å; M84-F88 WeakPolarHBondContact O-CD2 3.42Å; M84-F88 PolarHBondContact O-N 2.93Å; M84-F88 HydrophobicContact SD-CE2 4.47Å; K85-F88 PolarHBondContact O-N 2.81Å; F88-S90 VanDerWaalsContact C-N 3.29Å; F88-S90 PolarHBondContact O-N 3.48Å; F88-M91 HydrophobicContact CD1-CE 3.9Å; F88-M91 HydrophobicContact CE1-CE 4.39Å; F88-M91 HydrophobicContact CG-CE 4.45Å; F88-M91 WeakPolarHBondContact O-CB 3.4Å; F88-M91 PolarHBondContact O-N 3.29Å; F88-F92 HydrophobicContact CB-CE2 3.96Å; F88-F92 HydrophobicContact CD1-CE2 4.32Å; F88-F92 HydrophobicContact CD1-CZ 4.11Å; F88-F92 WeakPolarHBondContact O-CD2 3.4Å; F88-F92 WeakPolarHBondContact O-CG 3.43Å; F88-F92 PolarHBondContact O-N 3.23Å; F88-M104 HydrophobicContact CD1-SD 4.31Å; F88-M104 HydrophobicContact CE1-CG 4.37Å; F88-M104 HydrophobicContact CE1-SD 4.23Å; F88-A131 HydrophobicContact CE1-CB 3.86Å; F88-A131 HydrophobicContact CE2-CB 4.25Å; F88-A131 HydrophobicContact CZ-CB 3.67Å; F88-V143 HydrophobicContact CE2-CG1 4.21Å; F88-V143 HydrophobicContact CE2-CG2 4.47Å; F88-L150 HydrophobicContact CZ-CD2 4.19Å; F88-L150 HydrophobicContact CZ-CG 4.5Å; F88-Y157 HydrophobicContact CB-CD2 3.58Å; F88-Y157 HydrophobicContact CB-CE2 4.44Å; F88-Y157 HydrophobicContact CB-CG 4.3Å; F88-Y157 HydrophobicContact CD1-CD2 4.14Å; F88-Y157 HydrophobicContact CD2-CD2 4.12Å; F88-Y157 HydrophobicContact CD2-CE2 4.2Å; F88-Y157 AromaticContact CG-CD2 3.69Å; F88-Y157 HydrophobicContact CG-CD2 3.69Å; F88-Y157 HydrophobicContact CG-CE2 4.22Å
89	E	97.6	Very high	96.4	Very high	51 Å²	51	53.8 Å²	53.8	24%	0.238	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-28.5	178	-64.9	-67.7	173.9	0	0	112.5	K85 K93 Y157	K85-E89 HydrophobicContact CG-CG 3.94Å; K85-E89 WeakPolarHBondContact O-CB 3.48Å; K85-E89 WeakPolarHBondContact O-CG 3.35Å; K85-E89 PolarHBondContact O-N 3.09Å; E89-K93 WeakPolarHBondContact O-CG 3.26Å; E89-Y157 WeakPolarHBondContact OE1-CB 3.03Å; E89-Y157 PolarHBondContact OE1-N 3.24Å
90	S	97	Very high	96.3	Very high	20 Å²	20	51.2 Å²	51.2	14%	0.14	26%	0.255	C	S	.	.	H	α-helix	trans	-68.8	-39.2	171.4	73.2	0	0	0	0	111.7	N86 T87 F88 K93	N86-S90 PolarHBondContact O-N 2.8Å; T87-S90 PolarHBondContact O-N 3.38Å; T87-S90 PolarHBondContact O-OG 3.26Å; F88-S90 VanDerWaalsContact C-N 3.29Å; F88-S90 PolarHBondContact O-N 3.48Å; S90-K93 PolarHBondContact O-N 2.98Å
91	M	97.6	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-43.1	173.5	167	-173.5	77.2	0	0	112.6	T87 F88 K93 L94 I102 M104 A131 A133 F141	T87-M91 PolarHBondContact O-N 3.07Å; F88-M91 HydrophobicContact CD1-CE 3.9Å; F88-M91 HydrophobicContact CE1-CE 4.39Å; F88-M91 HydrophobicContact CG-CE 4.45Å; F88-M91 WeakPolarHBondContact O-CB 3.4Å; F88-M91 PolarHBondContact O-N 3.29Å; M91-K93 PolarHBondContact O-N 2.92Å; M91-L94 VanDerWaalsContact O-CB 3.28Å; M91-L94 WeakPolarHBondContact O-CB 3.28Å; M91-L94 PolarHBondContact O-N 3.33Å; M91-I102 HydrophobicContact CG-CB 3.55Å; M91-I102 HydrophobicContact CG-CD1 4.02Å; M91-I102 HydrophobicContact CG-CG1 4.34Å; M91-I102 HydrophobicContact CG-CG2 3.48Å; M91-I102 VanDerWaalsContact CG-CG2 3.48Å; M91-I102 HydrophobicContact SD-CB 3.99Å; M91-M104 HydrophobicContact CE-CG 3.45Å; M91-M104 VanDerWaalsContact CE-CG 3.45Å; M91-M104 HydrophobicContact CE-SD 3.69Å; M91-M104 HydrophobicContact SD-CG 4.26Å; M91-A131 HydrophobicContact CE-CB 4.16Å; M91-A131 HydrophobicContact SD-CB 4Å; M91-A133 HydrophobicContact CB-CB 3.83Å; M91-A133 HydrophobicContact CG-CB 3.75Å; M91-A133 HydrophobicContact SD-CB 4.33Å; M91-F141 HydrophobicContact CB-CE1 4.29Å; M91-F141 HydrophobicContact CB-CZ 3.63Å
92	F	97	Very high	96.4	Very high	19 Å²	19	40 Å²	40	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-26.1	-179.6	-64.3	-49.7	0	0	0	113.5	F88 L94 V95 M104 N154	F88-F92 HydrophobicContact CB-CE2 3.96Å; F88-F92 HydrophobicContact CD1-CE2 4.32Å; F88-F92 HydrophobicContact CD1-CZ 4.11Å; F88-F92 WeakPolarHBondContact O-CD2 3.4Å; F88-F92 WeakPolarHBondContact O-CG 3.43Å; F88-F92 PolarHBondContact O-N 3.23Å; F92-L94 PolarHBondContact O-N 3.47Å; F92-V95 WeakPolarHBondContact O-CG2 3.22Å; F92-V95 PolarHBondContact O-N 3.36Å; F92-M104 HydrophobicContact CE1-CE 3.71Å; F92-M104 HydrophobicContact CE1-SD 3.49Å; F92-M104 WeakPolarHBondContact CE1-SD 3.34Å; F92-M104 HydrophobicContact CZ-CE 4.26Å; F92-M104 HydrophobicContact CZ-SD 3.54Å; F92-M104 VanDerWaalsContact CZ-SD 3.54Å; F92-N154 WeakPolarHBondContact CD1-O 3.27Å; F92-N154 VanDerWaalsContact CE1-O 3.27Å; F92-N154 WeakPolarHBondContact CE1-O 3.09Å
93	K	95.7	Very high	96.5	Very high	152 Å²	152	39.8 Å²	39.8	66%	0.661	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.8	175.1	-67.1	168.5	-172.2	175.1	0	113.8	E89 S90 M91 K97	E89-K93 WeakPolarHBondContact O-CG 3.26Å; S90-K93 PolarHBondContact O-N 2.98Å; M91-K93 PolarHBondContact O-N 2.92Å; K93-K97 WeakPolarHBondContact O-CE 3.31Å; K93-K97 WeakPolarHBondContact O-CG 3.37Å
94	L	95.4	Very high	96.5	Very high	16 Å²	16	39.7 Å²	39.7	8%	0.084	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.9	178	-57.6	175.4	0	0	0	112.9	L37 M91 F92 D96 K97 S100 I102 A133 D135	L37-L94 HydrophobicContact CD1-CD1 4Å; L37-L94 HydrophobicContact CD2-CD1 3.49Å; L37-L94 VanDerWaalsContact CD2-CD1 3.49Å; L37-L94 HydrophobicContact CG-CD1 4.4Å; M91-L94 VanDerWaalsContact O-CB 3.28Å; M91-L94 WeakPolarHBondContact O-CB 3.28Å; M91-L94 PolarHBondContact O-N 3.33Å; F92-L94 PolarHBondContact O-N 3.47Å; L94-D96 PolarHBondContact O-N 2.85Å; L94-K97 VanDerWaalsContact O-CB 3.31Å; L94-K97 WeakPolarHBondContact O-CB 3.27Å; L94-K97 PolarHBondContact O-N 3.08Å; L94-S100 PolarHBondContact O-OG 3.04Å; L94-I102 HydrophobicContact CB-CG2 3.84Å; L94-I102 HydrophobicContact CD1-CG2 4Å; L94-A133 HydrophobicContact CD1-CB 3.95Å; L94-D135 HydrophobicContact CD1-CB 4.47Å; L94-D135 HydrophobicContact CD2-CB 3.99Å
95	V	94	Very high	96.4	Very high	54 Å²	54	39.6 Å²	39.6	33%	0.327	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128.2	176.1	179.3	0	0	0	0	109.1	F92 K97 I102	F92-V95 WeakPolarHBondContact O-CG2 3.22Å; F92-V95 PolarHBondContact O-N 3.36Å; V95-K97 PolarHBondContact O-N 3.28Å; V95-I102 HydrophobicContact CG2-CD1 3.52Å
96	D	91.8	Very high	96.4	Very high	132 Å²	132	36.4 Å²	36.4	71%	0.706	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	17.9	-177.3	-51.5	-39.5	0	0	0	115.1	L94 H198	L94-D96 PolarHBondContact O-N 2.85Å; D96-H198 PolarHBondContact N-CE1 2.81Å; D96-H198 VanDerWaalsContact N-CE1 3.31Å; D96-H198 PolarHBondContact N-NE2 3.42Å; D96-H198 IonicContact OD1-CE1 2.71Å; D96-H198 PolarHBondContact OD1-CE1 2.86Å; D96-H198 VanDerWaalsContact OD1-CE1 3.32Å; D96-H198 IonicContact OD1-ND1 3.9Å
97	K	94.1	Very high	96.2	Very high	114 Å²	114	35.8 Å²	35.8	50%	0.496	18%	0.184	S	C	.	.			trans	-85.8	141.3	168.5	-62.2	-60.3	-175.7	-178.4	0	111.2	K93 L94 V95 S100	K93-K97 WeakPolarHBondContact O-CE 3.31Å; K93-K97 WeakPolarHBondContact O-CG 3.37Å; L94-K97 VanDerWaalsContact O-CB 3.31Å; L94-K97 WeakPolarHBondContact O-CB 3.27Å; L94-K97 PolarHBondContact O-N 3.08Å; V95-K97 PolarHBondContact O-N 3.28Å; K97-S100 WeakPolarHBondContact O-CB 3.41Å; K97-S100 PolarHBondContact O-OG 2.82Å
98	P	93.8	Very high	95.9	Very high	91 Å²	91	39.5 Å²	39.5	59%	0.591	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	151.7	173	28.1	-35	0	0	0	110.7	S100	P98-S100 PolarHBondContact O-N 3.31Å
99	D	94.2	Very high	95.6	Very high	65 Å²	65	41 Å²	41	35%	0.348	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	22.4	176	-60	-40.1	0	0	0	116.1	D135 D136 K177 S202 L203	D99-D135 CarbonylContact O-C 3.49Å; D99-D135 WeakPolarHBondContact O-CA 3.42Å; D99-D136 HydrophobicContact CB-CB 4.15Å; D99-K177 PolarHBondContact O-NZ 2.78Å; D99-K177 VanDerWaalsContact O-NZ 3.16Å; D99-S202 WeakPolarHBondContact OD1-CB 3.49Å; D99-S202 PolarHBondContact OD1-OG 3.11Å; D99-L203 WeakPolarHBondContact O-CD1 3.42Å
100	S	96.4	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.198	C	C	.	.			trans	-109.1	147.3	-179.3	78.9	0	0	0	0	112.7	L94 K97 P98 F134 A200	L94-S100 PolarHBondContact O-OG 3.04Å; K97-S100 WeakPolarHBondContact O-CB 3.41Å; K97-S100 PolarHBondContact O-OG 2.82Å; P98-S100 PolarHBondContact O-N 3.31Å; S100-F134 CarbonylContact C-O 3.41Å; S100-F134 WeakPolarHBondContact CA-O 3.28Å; S100-A200 WeakPolarHBondContact O-CB 3.12Å; S100-A200 PolarHBondContact O-N 3Å
101	V	98	Very high	94.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.6	172.3	58.7	0	0	0	0	109.5	F132 A133 F134 L180 H198 I199 L203 L210 L214	V101-F132 HydrophobicContact CG1-CE2 4.22Å; V101-F132 HydrophobicContact CG2-CE2 3.93Å; V101-F132 HydrophobicContact CG2-CZ 4.13Å; V101-A133 CarbonylContact O-C 3.54Å; V101-A133 WeakPolarHBondContact O-CA 3.46Å; V101-F134 HydrophobicContact CG1-CB 3.96Å; V101-F134 HydrophobicContact CG1-CD2 4.47Å; V101-F134 PolarHBondContact N-O 3.34Å; V101-F134 PolarHBondContact O-N 3.25Å; V101-L180 HydrophobicContact CG1-CD2 4.13Å; V101-H198 CarbonylContact C-O 3.56Å; V101-H198 WeakPolarHBondContact CA-O 3.24Å; V101-H198 WeakPolarHBondContact CG2-O 3.33Å; V101-I199 HydrophobicContact CB-CB 4.46Å; V101-I199 HydrophobicContact CB-CG1 4.26Å; V101-I199 HydrophobicContact CG2-CB 3.96Å; V101-I199 HydrophobicContact CG2-CD1 4.33Å; V101-I199 HydrophobicContact CG2-CG1 4.02Å; V101-L203 HydrophobicContact CB-CD1 3.73Å; V101-L203 HydrophobicContact CG1-CD1 3.76Å; V101-L210 HydrophobicContact CG2-CD2 3.87Å; V101-L214 HydrophobicContact CG2-CD1 3.81Å
102	I	97.8	Very high	94.1	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.021	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	148.7	171.7	78.5	175.1	0	0	0	109.5	M91 L94 V95 F132 A133 A197 H198	M91-I102 HydrophobicContact CG-CB 3.55Å; M91-I102 HydrophobicContact CG-CD1 4.02Å; M91-I102 HydrophobicContact CG-CG1 4.34Å; M91-I102 HydrophobicContact CG-CG2 3.48Å; M91-I102 VanDerWaalsContact CG-CG2 3.48Å; M91-I102 HydrophobicContact SD-CB 3.99Å; L94-I102 HydrophobicContact CB-CG2 3.84Å; L94-I102 HydrophobicContact CD1-CG2 4Å; V95-I102 HydrophobicContact CG2-CD1 3.52Å; I102-F132 WeakPolarHBondContact CA-O 3.49Å; I102-A133 HydrophobicContact CG2-CB 4.19Å; I102-A197 VanDerWaalsContact O-CA 3.3Å; I102-A197 WeakPolarHBondContact O-CA 3.27Å; I102-A197 WeakPolarHBondContact O-CB 3.26Å; I102-H198 HydrophobicContact CD1-CB 4.4Å; I102-H198 HydrophobicContact CG1-CB 3.95Å; I102-H198 PolarHBondContact N-O 2.97Å; I102-H198 PolarHBondContact O-N 2.87Å; I102-H198 VanDerWaalsContact O-O 3.08Å
103	G	97.7	Very high	93.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	132.1	169.4	0	0	0	0	0	110.5	A131 F132	G103-A131 CarbonylContact O-C 3.6Å; G103-A131 WeakPolarHBondContact O-CA 3.47Å; G103-F132 PolarHBondContact N-O 3.49Å; G103-F132 PolarHBondContact O-N 3.33Å
104	M	97.6	Very high	93.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.6	166.9	-65.9	175.7	-62.6	0	0	108.6	F88 M91 F92 A131 N154 F194 Q195 G196	F88-M104 HydrophobicContact CD1-SD 4.31Å; F88-M104 HydrophobicContact CE1-CG 4.37Å; F88-M104 HydrophobicContact CE1-SD 4.23Å; M91-M104 HydrophobicContact CE-CG 3.45Å; M91-M104 VanDerWaalsContact CE-CG 3.45Å; M91-M104 HydrophobicContact CE-SD 3.69Å; M91-M104 HydrophobicContact SD-CG 4.26Å; F92-M104 HydrophobicContact CE1-CE 3.71Å; F92-M104 HydrophobicContact CE1-SD 3.49Å; F92-M104 WeakPolarHBondContact CE1-SD 3.34Å; F92-M104 HydrophobicContact CZ-CE 4.26Å; F92-M104 HydrophobicContact CZ-SD 3.54Å; F92-M104 VanDerWaalsContact CZ-SD 3.54Å; M104-A131 HydrophobicContact CG-CB 4.06Å; M104-N154 HydrophobicContact CE-CB 4.14Å; M104-F194 CarbonylContact O-C 3.56Å; M104-F194 VanDerWaalsContact O-CA 3.31Å; M104-F194 WeakPolarHBondContact O-CA 3.38Å; M104-Q195 HydrophobicContact CB-CG 3.9Å; M104-Q195 PolarHBondContact O-N 2.86Å; M104-G196 PolarHBondContact N-O 3.04Å; M104-G196 PolarHBondContact O-N 2.8Å
105	Y	97.3	Very high	92.7	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	143.4	178.7	54	-90.7	0	0	0	111.4	M128 K129 G130 W142 V143 F187 P192 L193 F194	Y105-M128 HydrophobicContact CD2-CB 3.8Å; Y105-M128 HydrophobicContact CE2-CB 3.84Å; Y105-M128 HydrophobicContact CE2-CE 4.42Å; Y105-K129 CarbonylContact O-C 3.58Å; Y105-K129 VanDerWaalsContact O-CA 3.3Å; Y105-K129 WeakPolarHBondContact O-CA 3.28Å; Y105-G130 VanDerWaalsContact CZ-CA 3.49Å; Y105-G130 PolarHBondContact N-O 2.93Å; Y105-G130 PolarHBondContact O-N 3.17Å; Y105-W142 AromaticContact CZ-NE1 3.88Å; Y105-W142 PolarHBondContact OH-NE1 3.44Å; Y105-V143 PolarHBondContact OH-O 2.82Å; Y105-F187 AromaticContact CE1-CE1 3.99Å; Y105-F187 HydrophobicContact CE1-CE1 3.99Å; Y105-F187 HydrophobicContact CE1-CZ 4.06Å; Y105-P192 HydrophobicContact CD1-CB 4.43Å; Y105-P192 HydrophobicContact CD2-CB 3.73Å; Y105-P192 HydrophobicContact CE2-CB 4.48Å; Y105-P192 HydrophobicContact CG-CB 3.7Å; Y105-P192 HydrophobicContact CG-CG 4.49Å; Y105-L193 CarbonylContact C-O 3.53Å; Y105-L193 WeakPolarHBondContact CA-O 3.33Å; Y105-L193 VanDerWaalsContact CB-O 3.25Å; Y105-L193 WeakPolarHBondContact CB-O 3.35Å; Y105-F194 HydrophobicContact CD1-CD1 4.25Å; Y105-F194 AromaticContact CD1-CE1 3.67Å; Y105-F194 HydrophobicContact CD1-CE1 3.67Å; Y105-F194 HydrophobicContact CD1-CZ 4.31Å; Y105-F194 HydrophobicContact CG-CE1 4.31Å
106	N	96.5	Very high	92.3	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	126.8	179.3	-152.3	-56.7	0	0	0	107.6	E108 I109 M128 K129 I147 K149 L150 L193	N106-E108 PolarHBondContact O-N 3.39Å; N106-E108 PolarHBondContact OD1-N 3.2Å; N106-E108 VanDerWaalsContact OD1-N 3.1Å; N106-E108 PolarHBondContact OD1-O 2.91Å; N106-I109 HydrophobicContact CB-CG2 4.4Å; N106-I109 WeakPolarHBondContact O-CG2 3.47Å; N106-M128 WeakPolarHBondContact CA-O 3.45Å; N106-K129 VanDerWaalsContact OD1-CE 3.3Å; N106-K129 WeakPolarHBondContact OD1-CE 3.18Å; N106-K129 WeakPolarHBondContact OD1-CG 3.3Å; N106-I147 PolarHBondContact ND2-O 2.9Å; N106-K149 PolarHBondContact ND2-N 3.44Å; N106-K149 PolarHBondContact OD1-N 3.27Å; N106-L150 PolarHBondContact ND2-N 3.34Å; N106-L150 PolarHBondContact ND2-O 2.9Å; N106-L193 PolarHBondContact N-O 2.79Å
107	D	94.1	Very high	91.7	Very high	31 Å²	31	56.9 Å²	56.9	17%	0.166	28%	0.283	C	S	.	.	S	Bend	trans	-73.1	-16.4	174.1	65.6	-53.3	0	0	0	113.1	G126 H127 M128 K129 R341	D107-G126 VanDerWaalsContact CB-O 3.3Å; D107-G126 WeakPolarHBondContact CB-O 3.46Å; D107-H127 IonicContact OD1-ND1 2.66Å; D107-H127 IonicContact OD2-CE1 3.26Å; D107-H127 IonicContact OD2-CG 3.43Å; D107-H127 IonicContact OD2-ND1 2.87Å; D107-H127 PolarHBondContact OD2-ND1 2.8Å; D107-M128 PolarHBondContact N-O 3.26Å; D107-K129 WeakPolarHBondContact OD1-CE 3.46Å; D107-K129 WeakPolarHBondContact OD1-CG 3.3Å; D107-K129 IonicContact OD1-NZ 2.82Å; D107-K129 PolarHBondContact OD1-NZ 3.09Å; D107-K129 IonicContact OD2-NZ 3.32Å; D107-R341 IonicContact OD2-CZ 2.96Å; D107-R341 IonicContact OD2-NH1 3.54Å; D107-R341 IonicContact OD2-NH2 3.78Å; D107-R341 PolarHBondContact OD2-NH2 3.21Å
108	E	93.1	Very high	91	Very high	77 Å²	77	55 Å²	55	36%	0.36	27%	0.273	S	S	.	.	S	Bend	trans	-114.4	68.6	175.9	-67.2	176.4	-98.7	0	0	110.2	N106 K129 P148 K149	N106-E108 PolarHBondContact O-N 3.39Å; N106-E108 PolarHBondContact OD1-N 3.2Å; N106-E108 VanDerWaalsContact OD1-N 3.1Å; N106-E108 PolarHBondContact OD1-O 2.91Å; E108-K129 WeakPolarHBondContact OE1-CE 3.37Å; E108-K129 IonicContact OE1-NZ 3.5Å; E108-K129 PolarHBondContact OE1-NZ 2.58Å; E108-P148 HydrophobicContact CB-CB 3.96Å; E108-K149 WeakPolarHBondContact O-CA 3.5Å; E108-K149 WeakPolarHBondContact O-CG 3.21Å; E108-K149 PolarHBondContact O-N 2.91Å
109	I	91.8	Very high	89.9	Confident	31 Å²	31	53.5 Å²	53.5	16%	0.159	26%	0.26	C	S	.	.			trans	-66.8	156	-179.1	63.6	176.6	0	0	0	113.1	N106 T113 P115 L193 Q195	N106-I109 HydrophobicContact CB-CG2 4.4Å; N106-I109 WeakPolarHBondContact O-CG2 3.47Å; I109-T113 HydrophobicContact CD1-CG2 4.49Å; I109-P115 HydrophobicContact CD1-CG 3.57Å; I109-L193 HydrophobicContact CD1-CD2 4.38Å; I109-L193 HydrophobicContact CG2-CD2 3.94Å; I109-L193 HydrophobicContact CG2-CG 4.26Å; I109-Q195 HydrophobicContact CB-CB 4.48Å; I109-Q195 HydrophobicContact CG2-CB 3.62Å
110	P	91	Very high	88.5	Confident	2 Å²	2	59.8 Å²	59.8	1%	0.013	28%	0.279	C	S	.	.			trans	-56.9	142.5	168.4	-21.1	31.2	0	0	0	112.1	W112 T113 K149 Y152	P110-W112 PolarHBondContact O-N 3.14Å; P110-T113 WeakPolarHBondContact CB-OG1 3.04Å; P110-T113 WeakPolarHBondContact CD-OG1 3.27Å; P110-T113 WeakPolarHBondContact O-CB 3.48Å; P110-T113 PolarHBondContact O-N 3.08Å; P110-T113 PolarHBondContact O-OG1 2.94Å; P110-K149 HydrophobicContact CG-CB 4.21Å; P110-Y152 HydrophobicContact CB-CD2 3.92Å; P110-Y152 HydrophobicContact CB-CE2 3.86Å; P110-Y152 HydrophobicContact CB-CG 4.33Å; P110-Y152 HydrophobicContact CG-CD2 3.93Å; P110-Y152 HydrophobicContact CG-CE2 4.36Å; P110-Y152 HydrophobicContact CG-CG 4.21Å
111	K	85.7	Confident	86.8	Confident	172 Å²	172	68 Å²	68	75%	0.748	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31.4	-175.3	-175.5	177.7	179.1	-179.9	0	114.3
112	W	83.8	Confident	85.1	Confident	196 Å²	196	72 Å²	72	74%	0.742	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.5	-176.1	-53.6	113.4	0	0	0	113.4	P110	P110-W112 PolarHBondContact O-N 3.14Å
113	T	85.4	Confident	83.7	Confident	23 Å²	23	77.3 Å²	77.3	14%	0.141	37%	0.367	C	S	.	.			trans	-71.5	131.1	175.5	-58.6	0	0	0	0	109.5	I109 P110 P115 Q195	I109-T113 HydrophobicContact CD1-CG2 4.49Å; P110-T113 WeakPolarHBondContact CB-OG1 3.04Å; P110-T113 WeakPolarHBondContact CD-OG1 3.27Å; P110-T113 WeakPolarHBondContact O-CB 3.48Å; P110-T113 PolarHBondContact O-N 3.08Å; P110-T113 PolarHBondContact O-OG1 2.94Å; T113-P115 HydrophobicContact CG2-CG 4.43Å; T113-Q195 HydrophobicContact CG2-CB 4.17Å
114	K	85.7	Confident	82.8	Confident	192 Å²	192	86.1 Å²	86.1	84%	0.835	40%	0.4	S	S	*	.			trans	-117.2	87	175	-65.6	-177.4	-177.5	-179.9	0	108.2
115	P	86.6	Confident	82.6	Confident	13 Å²	13	87 Å²	87	8%	0.084	40%	0.403	C	S	.	.			trans	-67.4	146	-178.8	2	10.1	0	0	0	110.7	I109 T113 Y118 L193 F194	I109-P115 HydrophobicContact CD1-CG 3.57Å; T113-P115 HydrophobicContact CG2-CG 4.43Å; P115-Y118 HydrophobicContact CG-CD1 4.35Å; P115-Y118 HydrophobicContact CG-CD2 4.33Å; P115-Y118 HydrophobicContact CG-CG 3.87Å; P115-Y118 WeakPolarHBondContact O-CB 3.44Å; P115-Y118 PolarHBondContact O-N 2.79Å; P115-L193 HydrophobicContact CG-CD1 4.35Å; P115-F194 WeakPolarHBondContact CB-O 3.5Å
116	L	85.3	Confident	82.5	Confident	125 Å²	125	87 Å²	87	65%	0.654	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	137.2	175.5	-65.4	176.9	0	0	0	110	Y118 Q215 N216	L116-Y118 PolarHBondContact O-N 3.46Å; L116-Q215 CarbonylContact O-C 3.42Å; L116-N216 WeakPolarHBondContact O-CB 3.22Å; L116-N216 PolarHBondContact O-ND2 3.48Å
117	G	79.7	Confident	82.5	Confident	55 Å²	55	87.5 Å²	87.5	57%	0.567	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	13.2	179.9	0	0	0	0	0	114.9	D119 Q215	G117-D119 PolarHBondContact O-N 3.48Å; G117-Q215 WeakPolarHBondContact CA-O 3.48Å
118	Y	80.3	Confident	82.7	Confident	75 Å²	75	86 Å²	86	29%	0.294	40%	0.398	S	S	.	.			trans	-70.3	103.5	175.8	178.8	-113.6	0	0	0	110.2	P115 L116 R120 W125 L193	P115-Y118 HydrophobicContact CG-CD1 4.35Å; P115-Y118 HydrophobicContact CG-CD2 4.33Å; P115-Y118 HydrophobicContact CG-CG 3.87Å; P115-Y118 WeakPolarHBondContact O-CB 3.44Å; P115-Y118 PolarHBondContact O-N 2.79Å; L116-Y118 PolarHBondContact O-N 3.46Å; Y118-R120 HydrophobicContact CD1-CG 4.19Å; Y118-R120 HydrophobicContact CE1-CG 3.67Å; Y118-W125 HydrophobicContact CD2-CZ2 4.09Å; Y118-W125 AromaticContact CD2-NE1 3.94Å; Y118-W125 HydrophobicContact CE2-CZ2 4.47Å; Y118-W125 AromaticContact CE2-NE1 3.46Å; Y118-L193 HydrophobicContact CD2-CD1 3.5Å; Y118-L193 VanDerWaalsContact CD2-CD1 3.5Å; Y118-L193 HydrophobicContact CD2-CD2 4.22Å; Y118-L193 HydrophobicContact CE2-CD1 3.94Å; Y118-L193 HydrophobicContact CE2-CD2 3.84Å; Y118-L193 HydrophobicContact CG-CD1 4.47Å
119	D	70.1	Confident	82.9	Confident	59 Å²	59	82.5 Å²	82.5	32%	0.316	38%	0.381	S	S	.	.			trans	-89.1	118.7	172.3	-178.4	5.7	0	0	0	109.9	G117 E121 N122	G117-D119 PolarHBondContact O-N 3.48Å; D119-E121 PolarHBondContact O-N 3.25Å; D119-E121 WeakPolarHBondContact OD1-CB 3.26Å; D119-E121 PolarHBondContact OD1-N 3.29Å; D119-N122 HydrophobicContact CB-CB 4.19Å; D119-N122 PolarHBondContact O-N 3.27Å; D119-N122 PolarHBondContact OD2-ND2 3.4Å
120	R	64.2	Low	83.2	Confident	198 Å²	198	81 Å²	81	75%	0.747	37%	0.374	S	S	*	.	S	Bend	trans	-69.4	-18.6	176.9	-72.6	-177	178.1	-171	-0.8	112.7	Y118 L123	Y118-R120 HydrophobicContact CD1-CG 4.19Å; Y118-R120 HydrophobicContact CE1-CG 3.67Å; R120-L123 VanDerWaalsContact O-CD2 3.23Å; R120-L123 WeakPolarHBondContact O-CD2 3.18Å; R120-L123 WeakPolarHBondContact O-CG 3.46Å
121	E	61.2	Low	83.6	Confident	172 Å²	172	81 Å²	81	80%	0.804	37%	0.374	S	S	*	.	S	Bend	trans	-81.6	-29.2	178.6	-57.1	-175	174.1	0	0	111.1	D119 L123	D119-E121 PolarHBondContact O-N 3.25Å; D119-E121 WeakPolarHBondContact OD1-CB 3.26Å; D119-E121 PolarHBondContact OD1-N 3.29Å; E121-L123 PolarHBondContact O-N 3.01Å
122	N	63.2	Low	84.2	Confident	85 Å²	85	72.8 Å²	72.8	46%	0.455	34%	0.338	S	S	.	.			trans	-96.2	77.2	179	-82.3	-60.9	0	0	0	112	D119 W124 W125	D119-N122 HydrophobicContact CB-CB 4.19Å; D119-N122 PolarHBondContact O-N 3.27Å; D119-N122 PolarHBondContact OD2-ND2 3.4Å; N122-W124 VanDerWaalsContact C-N 3.32Å; N122-W124 PolarHBondContact O-N 2.99Å; N122-W125 PolarHBondContact O-NE1 3.28Å
123	L	66.7	Low	84.9	Confident	115 Å²	115	63.4 Å²	63.4	60%	0.602	30%	0.303	S	S	*	.			trans	-79	2.3	-169.8	-67.2	173.2	0	0	0	116.4	R120 E121 W125	R120-L123 VanDerWaalsContact O-CD2 3.23Å; R120-L123 WeakPolarHBondContact O-CD2 3.18Å; R120-L123 WeakPolarHBondContact O-CG 3.46Å; E121-L123 PolarHBondContact O-N 3.01Å; L123-W125 VanDerWaalsContact C-N 3.34Å; L123-W125 PolarHBondContact O-N 3.41Å
124	W	80.2	Confident	85.5	Confident	184 Å²	184	62.3 Å²	62.3	70%	0.697	30%	0.296	S	S	*	.			trans	-90.8	67.2	-169.9	-52.8	-12	0	0	0	112.4	N122 R191	N122-W124 VanDerWaalsContact C-N 3.32Å; N122-W124 PolarHBondContact O-N 2.99Å; W124-R191 WeakPolarHBondContact O-CD 3.32Å
125	W	92.6	Very high	85.9	Confident	20 Å²	20	53.9 Å²	53.9	8%	0.076	26%	0.26	C	S	.	.			trans	-89.1	140.8	173.6	-56.3	102	0	0	0	111	Y118 N122 L123 R191 L193 N216	Y118-W125 HydrophobicContact CD2-CZ2 4.09Å; Y118-W125 AromaticContact CD2-NE1 3.94Å; Y118-W125 HydrophobicContact CE2-CZ2 4.47Å; Y118-W125 AromaticContact CE2-NE1 3.46Å; N122-W125 PolarHBondContact O-NE1 3.28Å; L123-W125 VanDerWaalsContact C-N 3.34Å; L123-W125 PolarHBondContact O-N 3.41Å; W125-R191 HydrophobicContact CE3-CG 4.02Å; W125-R191 HydrophobicContact CZ3-CG 4.03Å; W125-L193 HydrophobicContact CB-CB 4.06Å; W125-L193 HydrophobicContact CD2-CB 3.87Å; W125-L193 HydrophobicContact CD2-CD1 3.95Å; W125-L193 HydrophobicContact CD2-CG 4.35Å; W125-L193 HydrophobicContact CE3-CB 3.96Å; W125-L193 HydrophobicContact CE3-CD1 4.19Å; W125-L193 HydrophobicContact CG-CB 3.88Å; W125-L193 HydrophobicContact CG-CD1 4.48Å; W125-L193 HydrophobicContact CG-CD2 4.3Å; W125-L193 HydrophobicContact CG-CG 4.45Å; W125-L193 HydrophobicContact CH2-CD1 4.46Å; W125-L193 HydrophobicContact CZ2-CD1 4.19Å; W125-L193 HydrophobicContact CZ3-CD1 4.43Å; W125-N216 HydrophobicContact CH2-CB 3.67Å; W125-N216 WeakPolarHBondContact CH2-O 3.43Å; W125-N216 HydrophobicContact CZ3-CB 4.11Å
126	G	95.8	Very high	86.2	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	28%	0.284	C	S	.	.			trans	-59.6	152.2	172.6	0	0	0	0	0	111.8	D107 M128 A190 R191 G342	D107-G126 VanDerWaalsContact CB-O 3.3Å; D107-G126 WeakPolarHBondContact CB-O 3.46Å; G126-M128 PolarHBondContact O-N 2.97Å; G126-A190 VanDerWaalsContact CA-O 3.26Å; G126-A190 WeakPolarHBondContact CA-O 3.35Å; G126-R191 PolarHBondContact N-O 2.83Å; G126-G342 CarbonylContact C-O 3.57Å; G126-G342 VanDerWaalsContact C-O 3.29Å; G126-G342 WeakPolarHBondContact CA-O 3.3Å
127	H	96.3	Very high	86.4	Confident	11 Å²	11	53.9 Å²	53.9	5%	0.051	26%	0.261	C	S	.	.	S	Bend	trans	-77.3	44.4	178.3	-168	31.1	0	0	0	113	D107 K129 K309 D331 I332 Q338 R341 G342	D107-H127 IonicContact OD1-ND1 2.66Å; D107-H127 IonicContact OD2-CE1 3.26Å; D107-H127 IonicContact OD2-CG 3.43Å; D107-H127 IonicContact OD2-ND1 2.87Å; D107-H127 PolarHBondContact OD2-ND1 2.8Å; H127-K129 PolarHBondContact CE1-NZ 2.87Å; H127-K309 PolarHBondContact CD2-NZ 2.76Å; H127-K309 WeakPolarHBondContact NE2-CE 3.46Å; H127-K309 PolarHBondContact NE2-NZ 3.2Å; H127-D331 PolarHBondContact CD2-O 3.38Å; H127-D331 WeakPolarHBondContact O-CB 3.3Å; H127-I332 HydrophobicContact CB-CD1 3.99Å; H127-Q338 VanDerWaalsContact CB-OE1 3.25Å; H127-Q338 PolarHBondContact CD2-OE1 3.11Å; H127-R341 VanDerWaalsContact CA-NH2 3.3Å; H127-R341 PolarHBondContact ND1-NH1 3.31Å; H127-R341 VanDerWaalsContact ND1-NH1 3.1Å; H127-G342 PolarHBondContact N-O 3.42Å
128	M	97.6	Very high	87	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	26%	0.258	C	S	.	.			trans	-103.7	142.5	-167.5	-56.7	-176.2	78.6	0	0	111.5	Y105 N106 D107 G126 A190 P192 D331	Y105-M128 HydrophobicContact CD2-CB 3.8Å; Y105-M128 HydrophobicContact CE2-CB 3.84Å; Y105-M128 HydrophobicContact CE2-CE 4.42Å; N106-M128 WeakPolarHBondContact CA-O 3.45Å; D107-M128 PolarHBondContact N-O 3.26Å; G126-M128 PolarHBondContact O-N 2.97Å; M128-A190 HydrophobicContact CE-CB 4.06Å; M128-A190 HydrophobicContact CG-CB 4.49Å; M128-A190 HydrophobicContact SD-CB 3.29Å; M128-A190 WeakPolarHBondContact SD-CB 3.47Å; M128-P192 HydrophobicContact CB-CB 4.1Å; M128-P192 HydrophobicContact SD-CB 3.76Å; M128-P192 HydrophobicContact SD-CG 4.16Å; M128-D331 WeakPolarHBondContact CA-OD1 3.48Å; M128-D331 WeakPolarHBondContact CE-OD2 3.39Å; M128-D331 HydrophobicContact CG-CB 4.29Å
129	K	98.2	Very high	87.7	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.8	172	-45.5	170.8	162.2	62.2	0	110.5	Y105 N106 D107 E108 H127 H145 S146 I147 P148	Y105-K129 CarbonylContact O-C 3.58Å; Y105-K129 VanDerWaalsContact O-CA 3.3Å; Y105-K129 WeakPolarHBondContact O-CA 3.28Å; N106-K129 VanDerWaalsContact OD1-CE 3.3Å; N106-K129 WeakPolarHBondContact OD1-CE 3.18Å; N106-K129 WeakPolarHBondContact OD1-CG 3.3Å; D107-K129 WeakPolarHBondContact OD1-CE 3.46Å; D107-K129 WeakPolarHBondContact OD1-CG 3.3Å; D107-K129 IonicContact OD1-NZ 2.82Å; D107-K129 PolarHBondContact OD1-NZ 3.09Å; D107-K129 IonicContact OD2-NZ 3.32Å; E108-K129 WeakPolarHBondContact OE1-CE 3.37Å; E108-K129 IonicContact OE1-NZ 3.5Å; E108-K129 PolarHBondContact OE1-NZ 2.58Å; H127-K129 PolarHBondContact CE1-NZ 2.87Å; K129-H145 VanDerWaalsContact CB-CE1 3.44Å; K129-H145 WeakPolarHBondContact CB-CE1 3.32Å; K129-H145 WeakPolarHBondContact CB-O 3.25Å; K129-H145 PolarHBondContact O-N 3.45Å; K129-H145 VanDerWaalsContact O-N 3.1Å; K129-S146 WeakPolarHBondContact CD-O 3.44Å; K129-I147 WeakPolarHBondContact CD-O 2.86Å; K129-P148 VanDerWaalsContact CE-CA 3.43Å
130	G	98.6	Very high	89	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.3	-175.9	-174.6	0	0	0	0	0	113.8	Y105 V143 H145	Y105-G130 VanDerWaalsContact CZ-CA 3.49Å; Y105-G130 PolarHBondContact N-O 2.93Å; Y105-G130 PolarHBondContact O-N 3.17Å; G130-V143 WeakPolarHBondContact CA-O 3.24Å; G130-H145 PolarHBondContact N-NE2 2.68Å
131	A	98.6	Very high	90.7	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.5	177.2	0	0	0	0	0	109.9	F88 M91 G103 M104 V143	F88-A131 HydrophobicContact CE1-CB 3.86Å; F88-A131 HydrophobicContact CE2-CB 4.25Å; F88-A131 HydrophobicContact CZ-CB 3.67Å; M91-A131 HydrophobicContact CE-CB 4.16Å; M91-A131 HydrophobicContact SD-CB 4Å; G103-A131 CarbonylContact O-C 3.6Å; G103-A131 WeakPolarHBondContact O-CA 3.47Å; M104-A131 HydrophobicContact CG-CB 4.06Å; A131-V143 HydrophobicContact CB-CB 4.41Å; A131-V143 PolarHBondContact N-O 3.49Å; A131-V143 PolarHBondContact O-N 2.85Å
132	F	98.7	Very high	92.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	154.2	171.5	78.2	-89.1	0	0	0	110.1	V101 I102 G103 F134 F141 W142 L180 L183 F187 F194 L210 L214	V101-F132 HydrophobicContact CG1-CE2 4.22Å; V101-F132 HydrophobicContact CG2-CE2 3.93Å; V101-F132 HydrophobicContact CG2-CZ 4.13Å; I102-F132 WeakPolarHBondContact CA-O 3.49Å; G103-F132 PolarHBondContact N-O 3.49Å; G103-F132 PolarHBondContact O-N 3.33Å; F132-F134 AromaticContact CD2-CD2 3.78Å; F132-F134 HydrophobicContact CD2-CD2 3.78Å; F132-F134 AromaticContact CD2-CE2 3.8Å; F132-F134 HydrophobicContact CD2-CE2 3.8Å; F132-F134 HydrophobicContact CE2-CD2 4.31Å; F132-F141 VanDerWaalsContact CA-O 3.26Å; F132-F141 WeakPolarHBondContact CA-O 3.32Å; F132-F141 WeakPolarHBondContact CB-O 3.22Å; F132-W142 HydrophobicContact CB-CG 4.49Å; F132-L180 HydrophobicContact CE2-CD1 4.12Å; F132-L183 HydrophobicContact CB-CD2 4.44Å; F132-F187 AromaticContact CD1-CE2 3.75Å; F132-F187 HydrophobicContact CD1-CE2 3.75Å; F132-F187 AromaticContact CD1-CZ 3.88Å; F132-F187 HydrophobicContact CD1-CZ 3.88Å; F132-F187 AromaticContact CE1-CE2 3.71Å; F132-F187 HydrophobicContact CE1-CE2 3.71Å; F132-F187 HydrophobicContact CE1-CZ 4.27Å; F132-F187 HydrophobicContact CG-CE2 4.4Å; F132-F187 HydrophobicContact CG-CZ 4.5Å; F132-F187 HydrophobicContact CZ-CE2 4.35Å; F132-F194 HydrophobicContact CD1-CE1 4.39Å; F132-F194 AromaticContact CE1-CE1 3.73Å; F132-F194 HydrophobicContact CE1-CE1 3.73Å; F132-F194 HydrophobicContact CE1-CZ 4.16Å; F132-L210 HydrophobicContact CZ-CD1 3.98Å; F132-L210 HydrophobicContact CZ-CD2 4.46Å; F132-L214 HydrophobicContact CE1-CD2 4.11Å; F132-L214 HydrophobicContact CZ-CD2 4.04Å
133	A	98.5	Very high	94.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	137.2	179.6	0	0	0	0	0	110.4	L37 M91 L94 V101 I102 G140 F141	L37-A133 HydrophobicContact CD2-CB 3.87Å; M91-A133 HydrophobicContact CB-CB 3.83Å; M91-A133 HydrophobicContact CG-CB 3.75Å; M91-A133 HydrophobicContact SD-CB 4.33Å; L94-A133 HydrophobicContact CD1-CB 3.95Å; V101-A133 CarbonylContact O-C 3.54Å; V101-A133 WeakPolarHBondContact O-CA 3.46Å; I102-A133 HydrophobicContact CG2-CB 4.19Å; A133-G140 CarbonylContact O-C 3.38Å; A133-G140 WeakPolarHBondContact O-CA 3.22Å; A133-F141 HydrophobicContact CB-CD1 4.28Å; A133-F141 HydrophobicContact CB-CE1 3.81Å; A133-F141 HydrophobicContact CB-CE2 4.1Å; A133-F141 HydrophobicContact CB-CZ 3.74Å; A133-F141 PolarHBondContact N-O 3.2Å; A133-F141 VanDerWaalsContact N-O 3.09Å; A133-F141 PolarHBondContact O-N 3.09Å
134	F	97.8	Very high	95.7	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.9	171.7	-64.8	-91.5	0	0	0	109.3	S100 V101 F132 L175 K177 L180 L183	S100-F134 CarbonylContact C-O 3.41Å; S100-F134 WeakPolarHBondContact CA-O 3.28Å; V101-F134 HydrophobicContact CG1-CB 3.96Å; V101-F134 HydrophobicContact CG1-CD2 4.47Å; V101-F134 PolarHBondContact N-O 3.34Å; V101-F134 PolarHBondContact O-N 3.25Å; F132-F134 AromaticContact CD2-CD2 3.78Å; F132-F134 HydrophobicContact CD2-CD2 3.78Å; F132-F134 AromaticContact CD2-CE2 3.8Å; F132-F134 HydrophobicContact CD2-CE2 3.8Å; F132-F134 HydrophobicContact CE2-CD2 4.31Å; F134-L175 HydrophobicContact CE1-CB 4.2Å; F134-L175 HydrophobicContact CZ-CB 4.32Å; F134-K177 HydrophobicContact CB-CG 4.37Å; F134-K177 HydrophobicContact CD1-CB 4.08Å; F134-K177 HydrophobicContact CD1-CG 4.25Å; F134-L180 HydrophobicContact CD2-CD1 3.85Å; F134-L180 HydrophobicContact CE2-CD1 3.89Å; F134-L183 HydrophobicContact CE2-CD2 3.85Å; F134-L183 HydrophobicContact CZ-CD2 4.09Å
135	D	94.9	Very high	96.6	Very high	15 Å²	15	14.7 Å²	14.7	8%	0.08	8%	0.079	C	C	.	.			trans	-133.2	-157.2	177.5	66.9	6.3	0	0	0	111.9	L37 L94 D99 T137 K177	L37-D135 WeakPolarHBondContact CB-OD2 3.19Å; L37-D135 HydrophobicContact CD2-CB 4.32Å; L94-D135 HydrophobicContact CD1-CB 4.47Å; L94-D135 HydrophobicContact CD2-CB 3.99Å; D99-D135 CarbonylContact O-C 3.49Å; D99-D135 WeakPolarHBondContact O-CA 3.42Å; D135-T137 VanDerWaalsContact C-N 3.31Å; D135-T137 VanDerWaalsContact OD1-CB 3.27Å; D135-T137 WeakPolarHBondContact OD1-CB 3.47Å; D135-T137 WeakPolarHBondContact OD1-CG2 2.92Å; D135-T137 PolarHBondContact OD1-N 3.07Å; D135-T137 PolarHBondContact OD1-OG1 3.42Å; D135-K177 WeakPolarHBondContact O-CD 3.47Å; D135-K177 PolarHBondContact O-NZ 3.32Å
136	D	91.9	Very high	96.8	Very high	108 Å²	108	13.8 Å²	13.8	58%	0.578	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.1	178	63.9	-12.4	0	0	0	113.7	D99 N138	D99-D136 HydrophobicContact CB-CB 4.15Å; D136-N138 PolarHBondContact O-N 3.44Å
137	T	89.3	Confident	96.9	Very high	30 Å²	30	13.8 Å²	13.8	18%	0.184	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	6.6	179.4	71.1	0	0	0	0	114	L37 D135 T139	L37-T137 PolarHBondContact N-OG1 3.38Å; L37-T137 VanDerWaalsContact N-OG1 3.16Å; D135-T137 VanDerWaalsContact C-N 3.31Å; D135-T137 VanDerWaalsContact OD1-CB 3.27Å; D135-T137 WeakPolarHBondContact OD1-CB 3.47Å; D135-T137 WeakPolarHBondContact OD1-CG2 2.92Å; D135-T137 PolarHBondContact OD1-N 3.07Å; D135-T137 PolarHBondContact OD1-OG1 3.42Å; T137-T139 PolarHBondContact O-N 3.07Å
138	N	91.5	Very high	96.9	Very high	94 Å²	94	13.7 Å²	13.7	50%	0.503	8%	0.076	S	C	.	.	S	Bend	trans	63	-0.5	-177	-167.6	49.2	0	0	0	115.4	D136 E176 K177	D136-N138 PolarHBondContact O-N 3.44Å; N138-E176 CarbonylContact O-C 3.54Å; N138-E176 WeakPolarHBondContact O-CA 3.3Å; N138-K177 PolarHBondContact O-N 3.2Å
139	T	96.4	Very high	96.8	Very high	22 Å²	22	16.9 Å²	16.9	14%	0.135	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	168.4	169.8	61.1	0	0	0	0	111	L37 T137 L175 A233	L37-T139 WeakPolarHBondContact O-CB 3.38Å; L37-T139 PolarHBondContact O-OG1 2.91Å; T137-T139 PolarHBondContact O-N 3.07Å; T139-L175 CarbonylContact C-O 3.55Å; T139-L175 WeakPolarHBondContact CA-O 3.47Å; T139-A233 HydrophobicContact CG2-CB 4.17Å
140	G	97.9	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-164.7	175.3	0	0	0	0	0	108.9	L37 A133 T174 L175	L37-G140 PolarHBondContact O-N 2.91Å; A133-G140 CarbonylContact O-C 3.38Å; A133-G140 WeakPolarHBondContact O-CA 3.22Å; G140-T174 CarbonylContact O-C 3.5Å; G140-T174 VanDerWaalsContact O-CA 3.31Å; G140-T174 WeakPolarHBondContact O-CA 3.44Å; G140-T174 WeakPolarHBondContact O-CG2 3.35Å; G140-L175 PolarHBondContact N-O 2.84Å; G140-L175 PolarHBondContact O-N 2.94Å
141	F	98.5	Very high	96.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.5	177	64	-106.9	0	0	0	112.4	L37 S38 T87 M91 F132 A133 V143 V173	L37-F141 HydrophobicContact CD1-CD1 4.27Å; L37-F141 HydrophobicContact CD1-CE1 3.99Å; L37-F141 HydrophobicContact CG-CD1 4.21Å; L37-F141 HydrophobicContact CG-CE1 4.37Å; S38-F141 WeakPolarHBondContact O-CD1 3.25Å; T87-F141 HydrophobicContact CG2-CD1 4.06Å; T87-F141 HydrophobicContact CG2-CD2 3.93Å; T87-F141 HydrophobicContact CG2-CE1 3.72Å; T87-F141 HydrophobicContact CG2-CE2 3.6Å; T87-F141 HydrophobicContact CG2-CG 4.13Å; T87-F141 HydrophobicContact CG2-CZ 3.44Å; T87-F141 VanDerWaalsContact CG2-CZ 3.44Å; T87-F141 VanDerWaalsContact O-CZ 3.28Å; T87-F141 WeakPolarHBondContact O-CZ 3.23Å; M91-F141 HydrophobicContact CB-CE1 4.29Å; M91-F141 HydrophobicContact CB-CZ 3.63Å; F132-F141 VanDerWaalsContact CA-O 3.26Å; F132-F141 WeakPolarHBondContact CA-O 3.32Å; F132-F141 WeakPolarHBondContact CB-O 3.22Å; A133-F141 HydrophobicContact CB-CD1 4.28Å; A133-F141 HydrophobicContact CB-CE1 3.81Å; A133-F141 HydrophobicContact CB-CE2 4.1Å; A133-F141 HydrophobicContact CB-CZ 3.74Å; A133-F141 PolarHBondContact N-O 3.2Å; A133-F141 VanDerWaalsContact N-O 3.09Å; A133-F141 PolarHBondContact O-N 3.09Å; F141-V143 HydrophobicContact CD2-CG2 3.81Å; F141-V143 HydrophobicContact CE2-CG2 3.88Å; F141-V173 CarbonylContact C-O 3.58Å; F141-V173 WeakPolarHBondContact CA-O 3.35Å; F141-V173 WeakPolarHBondContact CB-O 3.2Å
142	W	98.7	Very high	96.1	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	122.1	169.9	-170.9	12.4	0	0	0	109.9	Y105 F132 I144 C172 V173 L175 L183 F187 L230 H241 M346	Y105-W142 AromaticContact CZ-NE1 3.88Å; Y105-W142 PolarHBondContact OH-NE1 3.44Å; F132-W142 HydrophobicContact CB-CG 4.49Å; W142-I144 HydrophobicContact CZ2-CD1 4.41Å; W142-C172 WeakPolarHBondContact O-CA 3.33Å; W142-V173 HydrophobicContact CB-CG2 4.14Å; W142-V173 PolarHBondContact N-O 3.48Å; W142-V173 PolarHBondContact O-N 2.84Å; W142-L175 HydrophobicContact CB-CD1 3.94Å; W142-L175 HydrophobicContact CE3-CD1 4.26Å; W142-L183 HydrophobicContact CB-CD2 4.36Å; W142-L183 HydrophobicContact CD2-CD1 4.49Å; W142-L183 HydrophobicContact CD2-CD2 3.97Å; W142-L183 HydrophobicContact CD2-CG 4.06Å; W142-L183 HydrophobicContact CE3-CD1 3.74Å; W142-L183 HydrophobicContact CE3-CD2 4.05Å; W142-L183 HydrophobicContact CE3-CG 3.74Å; W142-L183 HydrophobicContact CG-CD2 4.12Å; W142-L183 HydrophobicContact CH2-CG 4.36Å; W142-L183 HydrophobicContact CZ3-CD1 3.9Å; W142-L183 HydrophobicContact CZ3-CG 3.91Å; W142-F187 AromaticContact CZ2-CE1 3.75Å; W142-F187 HydrophobicContact CZ2-CE1 3.75Å; W142-F187 HydrophobicContact CZ2-CZ 4.18Å; W142-F187 AromaticContact NE1-CZ 3.96Å; W142-L230 HydrophobicContact CE3-CD1 4.38Å; W142-L230 HydrophobicContact CZ3-CD1 4.11Å; W142-H241 HydrophobicContact CH2-CB 4.46Å; W142-H241 AromaticContact CH2-CD2 3.36Å; W142-H241 WeakPolarHBondContact CH2-CD2 3.42Å; W142-H241 AromaticContact CH2-CE1 3.68Å; W142-H241 AromaticContact CH2-CG 3.62Å; W142-H241 AromaticContact CH2-ND1 3.81Å; W142-H241 AromaticContact CH2-NE2 3.4Å; W142-H241 WeakPolarHBondContact CH2-NE2 3.23Å; W142-H241 AromaticContact CZ2-NE2 3.82Å; W142-H241 HydrophobicContact CZ3-CB 4.32Å; W142-H241 AromaticContact CZ3-CD2 3.81Å; W142-H241 AromaticContact CZ3-CG 3.94Å; W142-M346 HydrophobicContact CD2-CE 4.13Å; W142-M346 HydrophobicContact CE3-CE 3.54Å; W142-M346 HydrophobicContact CH2-CE 4.43Å; W142-M346 HydrophobicContact CZ3-CE 3.71Å
143	V	98.8	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130	175.7	-176.8	0	0	0	0	110	M84 T87 F88 Y105 G130 A131 F141 L171 C172	M84-V143 HydrophobicContact CE-CG1 4.07Å; M84-V143 HydrophobicContact SD-CG1 4.14Å; T87-V143 HydrophobicContact CG2-CG2 4.13Å; F88-V143 HydrophobicContact CE2-CG1 4.21Å; F88-V143 HydrophobicContact CE2-CG2 4.47Å; Y105-V143 PolarHBondContact OH-O 2.82Å; G130-V143 WeakPolarHBondContact CA-O 3.24Å; A131-V143 HydrophobicContact CB-CB 4.41Å; A131-V143 PolarHBondContact N-O 3.49Å; A131-V143 PolarHBondContact O-N 2.85Å; F141-V143 HydrophobicContact CD2-CG2 3.81Å; F141-V143 HydrophobicContact CE2-CG2 3.88Å; V143-L171 CarbonylContact C-O 3.59Å; V143-L171 WeakPolarHBondContact CA-O 3.15Å; V143-C172 HydrophobicContact CG2-CB 4.03Å
144	I	98.7	Very high	95.3	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.2	169.1	-65.1	171.8	0	0	0	107.5	W142 F170 L171 M346	W142-I144 HydrophobicContact CZ2-CD1 4.41Å; I144-F170 CarbonylContact O-C 3.52Å; I144-F170 VanDerWaalsContact O-CA 3.29Å; I144-F170 WeakPolarHBondContact O-CA 3.42Å; I144-L171 PolarHBondContact N-O 3.1Å; I144-L171 PolarHBondContact O-N 3.09Å; I144-M346 HydrophobicContact CD1-CB 3.77Å; I144-M346 HydrophobicContact CD1-CE 3.57Å
145	H	98.5	Very high	95.1	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	167.8	178.8	65.1	73.5	0	0	0	112.6	K129 G130 I147 H169 F170	K129-H145 VanDerWaalsContact CB-CE1 3.44Å; K129-H145 WeakPolarHBondContact CB-CE1 3.32Å; K129-H145 WeakPolarHBondContact CB-O 3.25Å; K129-H145 PolarHBondContact O-N 3.45Å; K129-H145 VanDerWaalsContact O-N 3.1Å; G130-H145 PolarHBondContact N-NE2 2.68Å; H145-I147 HydrophobicContact CB-CD1 4.35Å; H145-I147 PolarHBondContact CE1-O 3.22Å; H145-I147 VanDerWaalsContact CE1-O 3.25Å; H145-I147 PolarHBondContact ND1-N 2.88Å; H145-I147 VanDerWaalsContact ND1-N 3.14Å; H145-I147 PolarHBondContact ND1-O 3.03Å; H145-H169 WeakPolarHBondContact CA-O 3.2Å; H145-F170 HydrophobicContact CB-CB 3.71Å
146	S	98	Very high	95.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	17%	0.174	C	C	.	.			trans	-101	0	176	51.2	0	0	0	0	115	K129 P148 Q168 H169 H307	K129-S146 WeakPolarHBondContact CD-O 3.44Å; S146-P148 VanDerWaalsContact O-CD 3.22Å; S146-P148 WeakPolarHBondContact O-CD 3.36Å; S146-Q168 PolarHBondContact O-OE1 2.85Å; S146-Q168 PolarHBondContact OG-OE1 2.76Å; S146-H169 WeakPolarHBondContact CB-ND1 3.31Å; S146-H169 PolarHBondContact N-O 3.1Å; S146-H169 VanDerWaalsContact N-O 3.09Å; S146-H169 PolarHBondContact OG-N 3.05Å; S146-H169 PolarHBondContact OG-ND1 2.7Å; S146-H169 VanDerWaalsContact OG-ND1 3.09Å; S146-H169 PolarHBondContact OG-O 3.23Å; S146-H307 WeakPolarHBondContact CB-O 3.48Å; S146-H307 PolarHBondContact OG-O 2.7Å
147	I	97.8	Very high	95.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.			trans	-76.6	111.3	-169.1	-54.4	152.5	0	0	0	112.7	I78 M84 N106 K129 H145 L150 Y159 P160 Q168 F170	I78-I147 HydrophobicContact CD1-CD1 4.28Å; M84-I147 HydrophobicContact CE-CD1 4.44Å; N106-I147 PolarHBondContact ND2-O 2.9Å; K129-I147 WeakPolarHBondContact CD-O 2.86Å; H145-I147 HydrophobicContact CB-CD1 4.35Å; H145-I147 PolarHBondContact CE1-O 3.22Å; H145-I147 VanDerWaalsContact CE1-O 3.25Å; H145-I147 PolarHBondContact ND1-N 2.88Å; H145-I147 VanDerWaalsContact ND1-N 3.14Å; H145-I147 PolarHBondContact ND1-O 3.03Å; I147-L150 HydrophobicContact CB-CB 4.11Å; I147-L150 HydrophobicContact CB-CD2 4.19Å; I147-L150 HydrophobicContact CD1-CD2 3.8Å; I147-L150 HydrophobicContact CG2-CB 3.8Å; I147-L150 HydrophobicContact CG2-CD2 4.32Å; I147-Y159 HydrophobicContact CD1-CE2 3.89Å; I147-Y159 HydrophobicContact CG1-CE2 4.39Å; I147-Y159 HydrophobicContact CG2-CE2 3.93Å; I147-P160 HydrophobicContact CG2-CG 4.09Å; I147-Q168 HydrophobicContact CG1-CB 3.75Å; I147-Q168 HydrophobicContact CG1-CG 3.81Å; I147-F170 HydrophobicContact CD1-CD1 4.43Å
148	P	96.5	Very high	95.7	Very high	10 Å²	10	29 Å²	29	7%	0.065	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	146.4	176.2	-19.4	33.3	0	0	0	111.9	E108 K129 S146 L150 P160	E108-P148 HydrophobicContact CB-CB 3.96Å; K129-P148 VanDerWaalsContact CE-CA 3.43Å; S146-P148 VanDerWaalsContact O-CD 3.22Å; S146-P148 WeakPolarHBondContact O-CD 3.36Å; P148-L150 PolarHBondContact O-N 3.18Å; P148-P160 WeakPolarHBondContact O-CG 3.47Å
149	K	96	Very high	96	Very high	67 Å²	67	25.2 Å²	25.2	29%	0.291	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	16	175.3	-53.1	166.8	-174.8	164.3	0	115.3	N106 E108 P110 S151 Y152 P160	N106-K149 PolarHBondContact ND2-N 3.44Å; N106-K149 PolarHBondContact OD1-N 3.27Å; E108-K149 WeakPolarHBondContact O-CA 3.5Å; E108-K149 WeakPolarHBondContact O-CG 3.21Å; E108-K149 PolarHBondContact O-N 2.91Å; P110-K149 HydrophobicContact CG-CB 4.21Å; K149-S151 CarbonylContact O-C 3.5Å; K149-Y152 HydrophobicContact CB-CD2 4.46Å; K149-Y152 WeakPolarHBondContact O-CA 3.44Å; K149-Y152 PolarHBondContact O-N 3.44Å; K149-Y152 VanDerWaalsContact O-N 3.16Å; K149-P160 HydrophobicContact CB-CB 4.03Å; K149-P160 HydrophobicContact CB-CG 4.23Å
150	L	97.1	Very high	96	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	13%	0.13	C	C	.	.			trans	-92.4	133.1	175	-174.4	75.9	0	0	0	110.1	M84 F88 N106 I147 P148 Y157 Y159 Q195	M84-L150 HydrophobicContact CE-CD2 3.77Å; F88-L150 HydrophobicContact CZ-CD2 4.19Å; F88-L150 HydrophobicContact CZ-CG 4.5Å; N106-L150 PolarHBondContact ND2-N 3.34Å; N106-L150 PolarHBondContact ND2-O 2.9Å; I147-L150 HydrophobicContact CB-CB 4.11Å; I147-L150 HydrophobicContact CB-CD2 4.19Å; I147-L150 HydrophobicContact CD1-CD2 3.8Å; I147-L150 HydrophobicContact CG2-CB 3.8Å; I147-L150 HydrophobicContact CG2-CD2 4.32Å; P148-L150 PolarHBondContact O-N 3.18Å; L150-Y157 HydrophobicContact CD1-CD2 4.35Å; L150-Y157 HydrophobicContact CD1-CE2 3.77Å; L150-Y157 HydrophobicContact CD2-CE2 4.27Å; L150-Y157 HydrophobicContact CG-CE2 4.45Å; L150-Y159 HydrophobicContact CD1-CD2 4.04Å; L150-Q195 PolarHBondContact O-NE2 2.8Å
151	S	93.6	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	S	Bend	cis	-74.9	149.9	-15.8	-177.7	0	0	0	0	110.8	K149 T153 S156 V158 Q195	K149-S151 CarbonylContact O-C 3.5Å; S151-T153 VanDerWaalsContact CB-O 3.27Å; S151-T153 WeakPolarHBondContact CB-O 3.31Å; S151-T153 PolarHBondContact O-N 2.91Å; S151-T153 PolarHBondContact OG-N 2.92Å; S151-T153 PolarHBondContact OG-O 3.44Å; S151-S156 PolarHBondContact OG-O 2.58Å; S151-V158 PolarHBondContact OG-N 3.08Å; S151-Q195 PolarHBondContact O-NE2 3.02Å
152	Y	89.3	Confident	95.7	Very high	98 Å²	98	38.4 Å²	38.4	38%	0.384	19%	0.191	S	C	.	.	S	Bend	trans	-67	-17	177.5	-158.1	-95.1	0	0	0	112.7	P110 K149 V158 P160	P110-Y152 HydrophobicContact CB-CD2 3.92Å; P110-Y152 HydrophobicContact CB-CE2 3.86Å; P110-Y152 HydrophobicContact CB-CG 4.33Å; P110-Y152 HydrophobicContact CG-CD2 3.93Å; P110-Y152 HydrophobicContact CG-CE2 4.36Å; P110-Y152 HydrophobicContact CG-CG 4.21Å; K149-Y152 HydrophobicContact CB-CD2 4.46Å; K149-Y152 WeakPolarHBondContact O-CA 3.44Å; K149-Y152 PolarHBondContact O-N 3.44Å; K149-Y152 VanDerWaalsContact O-N 3.16Å; Y152-V158 PolarHBondContact N-O 2.76Å; Y152-P160 HydrophobicContact CD2-CB 4.42Å
153	T	90.4	Very high	95.6	Very high	43 Å²	43	38.4 Å²	38.4	26%	0.264	19%	0.192	S	C	.	.	S	Bend	trans	-126.5	162	174.2	81.3	0	0	0	0	110.7	S151 S156 V158	S151-T153 VanDerWaalsContact CB-O 3.27Å; S151-T153 WeakPolarHBondContact CB-O 3.31Å; S151-T153 PolarHBondContact O-N 2.91Å; S151-T153 PolarHBondContact OG-N 2.92Å; S151-T153 PolarHBondContact OG-O 3.44Å; T153-S156 PolarHBondContact OG1-N 2.97Å; T153-S156 VanDerWaalsContact OG1-N 3.13Å; T153-S156 PolarHBondContact OG1-O 2.85Å; T153-S156 PolarHBondContact OG1-OG 3.01Å; T153-V158 HydrophobicContact CG2-CB 4.3Å; T153-V158 HydrophobicContact CG2-CG2 3.81Å
154	N	89.6	Confident	95.5	Very high	60 Å²	60	41.9 Å²	41.9	32%	0.321	21%	0.207	S	C	.	.	S	Bend	trans	-90.5	-0.3	179.4	-75.2	-14.7	0	0	0	114.7	F92 M104 Q195	F92-N154 WeakPolarHBondContact CD1-O 3.27Å; F92-N154 VanDerWaalsContact CE1-O 3.27Å; F92-N154 WeakPolarHBondContact CE1-O 3.09Å; M104-N154 HydrophobicContact CE-CB 4.14Å; N154-Q195 PolarHBondContact ND2-O 2.88Å; N154-Q195 PolarHBondContact OD1-O 3.22Å
155	T	92.8	Very high	95.4	Very high	106 Å²	106	45 Å²	45	65%	0.65	23%	0.227	S	C	*	.	S	Bend	trans	-131	-6.4	-170.4	54.6	0	0	0	0	114.1
156	S	95.9	Very high	95.4	Very high	37 Å²	37	47.8 Å²	47.8	26%	0.259	24%	0.238	S	C	.	.	S	Bend	trans	-152.6	156.8	178.7	62.7	0	0	0	0	110.3	S151 T153 V158	S151-S156 PolarHBondContact OG-O 2.58Å; T153-S156 PolarHBondContact OG1-N 2.97Å; T153-S156 VanDerWaalsContact OG1-N 3.13Å; T153-S156 PolarHBondContact OG1-O 2.85Å; T153-S156 PolarHBondContact OG1-OG 3.01Å; S156-V158 PolarHBondContact O-N 2.86Å
157	Y	97.6	Very high	95.4	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.043	24%	0.237	C	C	.	.			trans	-78.9	108.8	176.4	-178.1	-92.3	0	0	0	110	I78 M84 K85 F88 E89 L150 Y159	I78-Y157 WeakPolarHBondContact CG1-OH 3.33Å; I78-Y157 VanDerWaalsContact O-CE1 3.28Å; I78-Y157 WeakPolarHBondContact O-CE1 3.42Å; I78-Y157 PolarHBondContact O-OH 2.98Å; M84-Y157 HydrophobicContact CB-CE2 4Å; M84-Y157 WeakPolarHBondContact CB-OH 3.41Å; K85-Y157 HydrophobicContact CB-CD1 3.56Å; K85-Y157 HydrophobicContact CB-CE1 3.82Å; K85-Y157 HydrophobicContact CB-CG 3.94Å; K85-Y157 HydrophobicContact CD-CD1 3.99Å; K85-Y157 HydrophobicContact CG-CD1 3.66Å; K85-Y157 HydrophobicContact CG-CE1 4.39Å; K85-Y157 HydrophobicContact CG-CG 3.95Å; F88-Y157 HydrophobicContact CB-CD2 3.58Å; F88-Y157 HydrophobicContact CB-CE2 4.44Å; F88-Y157 HydrophobicContact CB-CG 4.3Å; F88-Y157 HydrophobicContact CD1-CD2 4.14Å; F88-Y157 HydrophobicContact CD2-CD2 4.12Å; F88-Y157 HydrophobicContact CD2-CE2 4.2Å; F88-Y157 AromaticContact CG-CD2 3.69Å; F88-Y157 HydrophobicContact CG-CD2 3.69Å; F88-Y157 HydrophobicContact CG-CE2 4.22Å; E89-Y157 WeakPolarHBondContact OE1-CB 3.03Å; E89-Y157 PolarHBondContact OE1-N 3.24Å; L150-Y157 HydrophobicContact CD1-CD2 4.35Å; L150-Y157 HydrophobicContact CD1-CE2 3.77Å; L150-Y157 HydrophobicContact CD2-CE2 4.27Å; L150-Y157 HydrophobicContact CG-CE2 4.45Å; Y157-Y159 WeakPolarHBondContact OH-CD2 3.12Å
158	V	97	Very high	95.4	Very high	54 Å²	54	47.8 Å²	47.8	33%	0.327	24%	0.238	S	C	.	.			trans	-126.4	108	176.3	-179.4	0	0	0	0	108.2	S151 Y152 T153 S156	S151-V158 PolarHBondContact OG-N 3.08Å; Y152-V158 PolarHBondContact N-O 2.76Å; T153-V158 HydrophobicContact CG2-CB 4.3Å; T153-V158 HydrophobicContact CG2-CG2 3.81Å; S156-V158 PolarHBondContact O-N 2.86Å
159	Y	97.4	Very high	95.5	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.063	24%	0.235	C	C	.	.			trans	-72.3	128.1	177.9	-164	-86.7	0	0	0	110.5	K54 Y59 I78 N79 I147 L150 Y157	K54-Y159 WeakPolarHBondContact CD-OH 3.09Å; Y59-Y159 AromaticContact CD1-CD1 4Å; Y59-Y159 HydrophobicContact CD1-CD1 4Å; Y59-Y159 AromaticContact CD1-CE1 3.89Å; Y59-Y159 HydrophobicContact CD1-CE1 3.89Å; Y59-Y159 AromaticContact CE1-CD1 3.82Å; Y59-Y159 HydrophobicContact CE1-CD1 3.82Å; Y59-Y159 AromaticContact CE1-CE1 3.84Å; Y59-Y159 HydrophobicContact CE1-CE1 3.84Å; I78-Y159 HydrophobicContact CB-CD2 4.47Å; I78-Y159 HydrophobicContact CB-CE2 4.35Å; I78-Y159 HydrophobicContact CD1-CD2 4.33Å; I78-Y159 HydrophobicContact CD1-CE2 3.74Å; I78-Y159 HydrophobicContact CG1-CD2 4.02Å; I78-Y159 HydrophobicContact CG1-CE2 3.9Å; I78-Y159 HydrophobicContact CG2-CD1 4.38Å; I78-Y159 HydrophobicContact CG2-CD2 3.8Å; I78-Y159 HydrophobicContact CG2-CE1 4.16Å; I78-Y159 HydrophobicContact CG2-CE2 3.54Å; I78-Y159 HydrophobicContact CG2-CG 4.23Å; N79-Y159 HydrophobicContact CB-CD1 4.06Å; N79-Y159 HydrophobicContact CB-CG 3.98Å; I147-Y159 HydrophobicContact CD1-CE2 3.89Å; I147-Y159 HydrophobicContact CG1-CE2 4.39Å; I147-Y159 HydrophobicContact CG2-CE2 3.93Å; L150-Y159 HydrophobicContact CD1-CD2 4.04Å; Y157-Y159 WeakPolarHBondContact OH-CD2 3.12Å
160	P	96.3	Very high	95.6	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.026	22%	0.221	C	C	.	.			trans	-72.1	134.6	-176.4	25.6	-29.4	0	0	0	110.9	I147 P148 K149 Y152 T162 G163	I147-P160 HydrophobicContact CG2-CG 4.09Å; P148-P160 WeakPolarHBondContact O-CG 3.47Å; K149-P160 HydrophobicContact CB-CB 4.03Å; K149-P160 HydrophobicContact CB-CG 4.23Å; Y152-P160 HydrophobicContact CD2-CB 4.42Å; P160-T162 PolarHBondContact O-N 2.96Å; P160-T162 VanDerWaalsContact O-N 3.09Å; P160-G163 PolarHBondContact O-N 3.37Å
161	R	95.8	Very high	95.7	Very high	219 Å²	219	44.2 Å²	44.2	83%	0.826	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-56	-31.4	177.8	-62	-177	93.6	178.3	7.3	112.4	G163 H164	R161-G163 PolarHBondContact O-N 3.01Å; R161-H164 VanDerWaalsContact O-CB 3.27Å; R161-H164 WeakPolarHBondContact O-CB 3.37Å; R161-H164 PolarHBondContact O-N 2.9Å
162	T	94.8	Very high	95.9	Very high	76 Å²	76	44.2 Å²	44.2	47%	0.466	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-64.6	-20	176.1	53.9	0	0	0	0	113.8	P160 H164	P160-T162 PolarHBondContact O-N 2.96Å; P160-T162 VanDerWaalsContact O-N 3.09Å; T162-H164 PolarHBondContact O-N 3.16Å
163	G	95.7	Very high	96.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.01	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-72	-3.8	174.6	0	0	0	0	0	114.1	K54 P160 R161	K54-G163 WeakPolarHBondContact CE-O 3.49Å; K54-G163 PolarHBondContact NZ-O 3.28Å; K54-G163 VanDerWaalsContact NZ-O 3.09Å; P160-G163 PolarHBondContact O-N 3.37Å; R161-G163 PolarHBondContact O-N 3.01Å
164	H	97.5	Very high	96.7	Very high	72 Å²	72	37.8 Å²	37.8	33%	0.333	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-62.5	-42.7	176.3	-179.8	-91.4	0	0	0	112.9	K54 K57 G58 Y59 R161 T162	K54-H164 PolarHBondContact NZ-O 2.72Å; K57-H164 WeakPolarHBondContact CA-O 3.46Å; K57-H164 PolarHBondContact N-O 3.18Å; K57-H164 PolarHBondContact O-CE1 3.24Å; K57-H164 PolarHBondContact O-NE2 2.03Å; G58-H164 PolarHBondContact N-NE2 2.91Å; G58-H164 PolarHBondContact N-O 3.18Å; G58-H164 VanDerWaalsContact N-O 3.08Å; Y59-H164 HydrophobicContact CE1-CB 3.95Å; Y59-H164 AromaticContact CE2-CD2 3.65Å; Y59-H164 AromaticContact CZ-CD2 3.75Å; R161-H164 VanDerWaalsContact O-CB 3.27Å; R161-H164 WeakPolarHBondContact O-CB 3.37Å; R161-H164 PolarHBondContact O-N 2.9Å; T162-H164 PolarHBondContact O-N 3.16Å
165	T	97	Very high	97.2	Very high	69 Å²	69	34.9 Å²	34.9	42%	0.423	18%	0.177	S	C	.	.	S	Bend	trans	-66.5	-52.1	-162.8	-54.9	0	0	0	0	113.9	K57	K57-T165 PolarHBondContact N-O 3.09Å
166	Y	97.3	Very high	97.4	Very high	58 Å²	58	31.8 Å²	31.8	23%	0.227	16%	0.155	C	C	.	.	S	Bend	trans	-103.6	156.4	-167.4	-64	-72.3	0	0	0	112.5	K54 Q305 H307	K54-Y166 WeakPolarHBondContact CE-O 3.15Å; K54-Y166 PolarHBondContact NZ-O 2.86Å; Y166-Q305 CarbonylContact C-O 3.54Å; Y166-Q305 WeakPolarHBondContact CA-O 3.48Å; Y166-H307 VanDerWaalsContact CB-CD2 3.49Å; Y166-H307 WeakPolarHBondContact CB-CD2 3.31Å; Y166-H307 AromaticContact CD1-CD2 3.83Å; Y166-H307 AromaticContact CD1-NE2 3.95Å; Y166-H307 AromaticContact CD2-CD2 3.61Å; Y166-H307 AromaticContact CD2-CE1 3.65Å; Y166-H307 AromaticContact CD2-NE2 3.12Å; Y166-H307 WeakPolarHBondContact CD2-NE2 3.45Å; Y166-H307 AromaticContact CE2-NE2 3.41Å; Y166-H307 WeakPolarHBondContact CE2-NE2 3.46Å; Y166-H307 AromaticContact CG-CD2 3.36Å; Y166-H307 AromaticContact CG-NE2 3.41Å; Y166-H307 AromaticContact CZ-NE2 3.94Å
167	G	97.7	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-58.3	147.5	164.3	0	0	0	0	0	111	K54 Q305 D306 H307	K54-G167 VanDerWaalsContact O-CA 3.29Å; K54-G167 WeakPolarHBondContact O-CA 3.42Å; G167-Q305 PolarHBondContact N-O 2.79Å; G167-D306 WeakPolarHBondContact CA-OD1 3.4Å; G167-H307 WeakPolarHBondContact O-CB 3.5Å; G167-H307 PolarHBondContact O-N 2.71Å
168	Q	97.9	Very high	97.3	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.009	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.5	-179.9	-63	-75.1	-5.3	0	0	109.8	Y53 K54 S146 I147	Y53-Q168 CarbonylContact C-O 3.59Å; Y53-Q168 WeakPolarHBondContact CA-O 3.27Å; K54-Q168 HydrophobicContact CB-CB 4.18Å; K54-Q168 HydrophobicContact CD-CG 4.41Å; K54-Q168 PolarHBondContact N-O 2.9Å; K54-Q168 PolarHBondContact O-N 3.48Å; S146-Q168 PolarHBondContact O-OE1 2.85Å; S146-Q168 PolarHBondContact OG-OE1 2.76Å; I147-Q168 HydrophobicContact CG1-CB 3.75Å; I147-Q168 HydrophobicContact CG1-CG 3.81Å
169	H	98.2	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	158.6	169.7	80.9	-70.8	0	0	0	111.1	G52 H145 S146 A308 K309 L329 G330	G52-H169 WeakPolarHBondContact O-CA 3.11Å; H145-H169 WeakPolarHBondContact CA-O 3.2Å; S146-H169 WeakPolarHBondContact CB-ND1 3.31Å; S146-H169 PolarHBondContact N-O 3.1Å; S146-H169 VanDerWaalsContact N-O 3.09Å; S146-H169 PolarHBondContact OG-N 3.05Å; S146-H169 PolarHBondContact OG-ND1 2.7Å; S146-H169 VanDerWaalsContact OG-ND1 3.09Å; S146-H169 PolarHBondContact OG-O 3.23Å; H169-A308 HydrophobicContact CB-CB 3.92Å; H169-A308 WeakPolarHBondContact ND1-CA 3.08Å; H169-K309 PolarHBondContact CE1-O 2.58Å; H169-K309 PolarHBondContact ND1-N 2.66Å; H169-L329 HydrophobicContact CB-CD2 4.37Å; H169-G330 PolarHBondContact CE1-O 2.91Å; H169-G330 PolarHBondContact NE2-N 3.14Å; H169-G330 PolarHBondContact NE2-O 3.43Å
170	F	98.6	Very high	97.3	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147.7	167.4	50.1	-92.4	0	0	0	110.6	F50 V51 G52 V61 I78 M83 M84 I144 H145 I147	F50-F170 HydrophobicContact CD2-CD2 4.08Å; F50-F170 HydrophobicContact CD2-CE2 4.16Å; F50-F170 AromaticContact CE2-CD2 3.79Å; F50-F170 HydrophobicContact CE2-CD2 3.79Å; F50-F170 HydrophobicContact CE2-CE2 4.09Å; V51-F170 CarbonylContact C-O 3.39Å; V51-F170 WeakPolarHBondContact CA-O 3.45Å; V51-F170 WeakPolarHBondContact CG2-O 3.49Å; G52-F170 VanDerWaalsContact CA-CZ 3.47Å; G52-F170 PolarHBondContact N-O 3.4Å; G52-F170 PolarHBondContact O-N 3.09Å; V61-F170 HydrophobicContact CG1-CE1 4.29Å; V61-F170 HydrophobicContact CG1-CZ 3.64Å; V61-F170 HydrophobicContact CG2-CE1 4.15Å; V61-F170 HydrophobicContact CG2-CZ 4.18Å; I78-F170 HydrophobicContact CD1-CD1 4.11Å; I78-F170 HydrophobicContact CD1-CE1 3.59Å; I78-F170 HydrophobicContact CD1-CZ 4.15Å; M83-F170 HydrophobicContact CG-CE2 4.01Å; M83-F170 HydrophobicContact SD-CE2 3.66Å; M83-F170 HydrophobicContact SD-CZ 4.3Å; M84-F170 HydrophobicContact CE-CB 4.15Å; M84-F170 HydrophobicContact CE-CG 4.41Å; M84-F170 HydrophobicContact CG-CD1 4.37Å; M84-F170 HydrophobicContact CG-CD2 3.69Å; M84-F170 HydrophobicContact CG-CE1 4.45Å; M84-F170 HydrophobicContact CG-CE2 3.75Å; M84-F170 HydrophobicContact CG-CG 3.98Å; M84-F170 HydrophobicContact CG-CZ 4.12Å; M84-F170 HydrophobicContact SD-CB 3.88Å; M84-F170 HydrophobicContact SD-CD2 3.63Å; M84-F170 HydrophobicContact SD-CE2 4.29Å; M84-F170 HydrophobicContact SD-CG 3.8Å; I144-F170 CarbonylContact O-C 3.52Å; I144-F170 VanDerWaalsContact O-CA 3.29Å; I144-F170 WeakPolarHBondContact O-CA 3.42Å; H145-F170 HydrophobicContact CB-CB 3.71Å; I147-F170 HydrophobicContact CD1-CD1 4.43Å
171	L	98.7	Very high	97.3	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.9	178.4	170	68.4	0	0	0	107.5	F50 V51 V143 I144 V173 L329 M346 I348	F50-L171 WeakPolarHBondContact O-CA 3.43Å; V51-L171 HydrophobicContact CB-CD1 4.37Å; V143-L171 CarbonylContact C-O 3.59Å; V143-L171 WeakPolarHBondContact CA-O 3.15Å; I144-L171 PolarHBondContact N-O 3.1Å; I144-L171 PolarHBondContact O-N 3.09Å; L171-V173 HydrophobicContact CD1-CG1 4.08Å; L171-V173 HydrophobicContact CD2-CG1 4.36Å; L171-V173 HydrophobicContact CG-CG1 4.23Å; L171-L329 HydrophobicContact CD2-CB 4.43Å; L171-L329 HydrophobicContact CD2-CD1 4.24Å; L171-M346 HydrophobicContact CD2-CB 3.95Å; L171-M346 HydrophobicContact CD2-CG 3.83Å; L171-I348 HydrophobicContact CD1-CD1 3.88Å; L171-I348 HydrophobicContact CD2-CD1 4.05Å
172	C	98.8	Very high	97.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.1	164.1	-175.1	0	0	0	0	109.1	C39 W49 F50 W142 V143	C39-C172 VanDerWaalsContact CA-SG 3.6Å; C39-C172 HydrophobicContact CB-CB 3.92Å; C39-C172 WeakPolarHBondContact CB-SG 3.3Å; C39-C172 WeakPolarHBondContact SG-CB 3.36Å; C39-C172 CovalentContact SG-SG 2.03Å; C39-C172 PolarHBondContact SG-SG 2.74Å; W49-C172 CarbonylContact C-O 3.54Å; W49-C172 WeakPolarHBondContact CA-O 3.09Å; W49-C172 VanDerWaalsContact CB-O 3.26Å; W49-C172 WeakPolarHBondContact CB-O 3.29Å; F50-C172 HydrophobicContact CD1-CB 3.76Å; F50-C172 HydrophobicContact CD2-CB 3.95Å; F50-C172 HydrophobicContact CE1-CB 3.31Å; F50-C172 HydrophobicContact CE2-CB 3.5Å; F50-C172 VanDerWaalsContact CE2-CB 3.5Å; F50-C172 HydrophobicContact CG-CB 4.06Å; F50-C172 HydrophobicContact CZ-CB 3.17Å; F50-C172 PolarHBondContact N-O 2.8Å; F50-C172 PolarHBondContact O-N 3.45Å; W142-C172 WeakPolarHBondContact O-CA 3.33Å; V143-C172 HydrophobicContact CG2-CB 4.03Å
173	V	98.7	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.8	171.2	-67.7	0	0	0	0	110	C39 W49 F141 W142 L171 L175 T232 L239 M346	C39-V173 PolarHBondContact SG-N 2.84Å; C39-V173 VanDerWaalsContact SG-N 3.35Å; W49-V173 HydrophobicContact CB-CG1 4.33Å; F141-V173 CarbonylContact C-O 3.58Å; F141-V173 WeakPolarHBondContact CA-O 3.35Å; F141-V173 WeakPolarHBondContact CB-O 3.2Å; W142-V173 HydrophobicContact CB-CG2 4.14Å; W142-V173 PolarHBondContact N-O 3.48Å; W142-V173 PolarHBondContact O-N 2.84Å; L171-V173 HydrophobicContact CD1-CG1 4.08Å; L171-V173 HydrophobicContact CD2-CG1 4.36Å; L171-V173 HydrophobicContact CG-CG1 4.23Å; V173-L175 HydrophobicContact CB-CD2 4.38Å; V173-L175 HydrophobicContact CG2-CD1 4.11Å; V173-L175 HydrophobicContact CG2-CD2 4.04Å; V173-L175 HydrophobicContact CG2-CG 4Å; V173-T232 HydrophobicContact CB-CG2 4.25Å; V173-T232 HydrophobicContact CG1-CG2 4.28Å; V173-L239 HydrophobicContact CB-CD1 4.28Å; V173-L239 HydrophobicContact CG1-CD1 4.1Å; V173-L239 HydrophobicContact CG1-CD2 4.48Å; V173-L239 HydrophobicContact CG2-CD1 4.32Å; V173-M346 HydrophobicContact CG2-CE 4Å
174	T	98.5	Very high	97.7	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.037	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	126.9	170.9	-60.6	0	0	0	0	108	S38 C39 V47 D48 G140 T232 A233	S38-T174 WeakPolarHBondContact CB-OG1 3.49Å; C39-T174 PolarHBondContact N-OG1 2.97Å; C39-T174 PolarHBondContact SG-N 2.91Å; C39-T174 VanDerWaalsContact SG-N 3.45Å; C39-T174 PolarHBondContact SG-OG1 3.44Å; V47-T174 PolarHBondContact O-OG1 2.87Å; D48-T174 VanDerWaalsContact O-CB 3.3Å; D48-T174 WeakPolarHBondContact O-CB 3.34Å; D48-T174 PolarHBondContact O-N 2.96Å; D48-T174 PolarHBondContact O-OG1 2.92Å; G140-T174 CarbonylContact O-C 3.5Å; G140-T174 VanDerWaalsContact O-CA 3.31Å; G140-T174 WeakPolarHBondContact O-CA 3.44Å; G140-T174 WeakPolarHBondContact O-CG2 3.35Å; T174-T232 CarbonylContact O-C 3.58Å; T174-T232 VanDerWaalsContact O-CA 3.27Å; T174-T232 WeakPolarHBondContact O-CA 3.25Å; T174-A233 HydrophobicContact CG2-CB 3.78Å; T174-A233 PolarHBondContact O-N 2.78Å
175	L	98.4	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.9	-173.8	-61.3	176.6	0	0	0	110.4	F134 T139 G140 W142 V173 L183 L230 Q231 L239	F134-L175 HydrophobicContact CE1-CB 4.2Å; F134-L175 HydrophobicContact CZ-CB 4.32Å; T139-L175 CarbonylContact C-O 3.55Å; T139-L175 WeakPolarHBondContact CA-O 3.47Å; G140-L175 PolarHBondContact N-O 2.84Å; G140-L175 PolarHBondContact O-N 2.94Å; W142-L175 HydrophobicContact CB-CD1 3.94Å; W142-L175 HydrophobicContact CE3-CD1 4.26Å; V173-L175 HydrophobicContact CB-CD2 4.38Å; V173-L175 HydrophobicContact CG2-CD1 4.11Å; V173-L175 HydrophobicContact CG2-CD2 4.04Å; V173-L175 HydrophobicContact CG2-CG 4Å; L175-L183 HydrophobicContact CD1-CD1 4.14Å; L175-L230 HydrophobicContact CD1-CD1 4.45Å; L175-Q231 WeakPolarHBondContact CD2-O 3.48Å; L175-L239 HydrophobicContact CD2-CD1 4.12Å
176	E	97.3	Very high	97.7	Very high	40 Å²	40	25.7 Å²	25.7	19%	0.187	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	143.4	166.2	-64.3	178.7	111.1	0	0	110.2	N138 K178 H179 A233	N138-E176 CarbonylContact O-C 3.54Å; N138-E176 WeakPolarHBondContact O-CA 3.3Å; E176-K178 HydrophobicContact CB-CD 4.21Å; E176-K178 HydrophobicContact CB-CG 4.01Å; E176-K178 PolarHBondContact O-N 3.04Å; E176-K178 WeakPolarHBondContact OE2-CE 3.49Å; E176-K178 IonicContact OE2-NZ 3.52Å; E176-K178 PolarHBondContact OE2-NZ 2.85Å; E176-H179 WeakPolarHBondContact O-CB 3.31Å; E176-H179 PolarHBondContact O-N 3.1Å; E176-A233 HydrophobicContact CG-CB 4.3Å
177	K	96.1	Very high	97.8	Very high	36 Å²	36	22.9 Å²	22.9	16%	0.157	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-56.8	-25.8	-178.2	-171.7	174.5	-170.8	166	0	113.3	D99 F134 D135 N138 H179 L180	D99-K177 PolarHBondContact O-NZ 2.78Å; D99-K177 VanDerWaalsContact O-NZ 3.16Å; F134-K177 HydrophobicContact CB-CG 4.37Å; F134-K177 HydrophobicContact CD1-CB 4.08Å; F134-K177 HydrophobicContact CD1-CG 4.25Å; D135-K177 WeakPolarHBondContact O-CD 3.47Å; D135-K177 PolarHBondContact O-NZ 3.32Å; N138-K177 PolarHBondContact O-N 3.2Å; K177-H179 PolarHBondContact O-N 2.78Å; K177-L180 WeakPolarHBondContact O-CB 3.45Å; K177-L180 PolarHBondContact O-N 3.07Å
178	K	95.7	Very high	97.8	Very high	114 Å²	114	23.5 Å²	23.5	50%	0.496	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-53.8	-26.1	173.5	78.5	-171	-169.7	-165.5	0	113.6	E176 L180	E176-K178 HydrophobicContact CB-CD 4.21Å; E176-K178 HydrophobicContact CB-CG 4.01Å; E176-K178 PolarHBondContact O-N 3.04Å; E176-K178 WeakPolarHBondContact OE2-CE 3.49Å; E176-K178 IonicContact OE2-NZ 3.52Å; E176-K178 PolarHBondContact OE2-NZ 2.85Å; K178-L180 VanDerWaalsContact C-N 3.31Å
179	H	97.2	Very high	97.7	Very high	19 Å²	19	23.7 Å²	23.7	9%	0.088	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-79.5	-9.7	178.5	-67.3	-56.7	0	0	0	113.7	E176 K177 K181 S182 L183 L230	E176-H179 WeakPolarHBondContact O-CB 3.31Å; E176-H179 PolarHBondContact O-N 3.1Å; K177-H179 PolarHBondContact O-N 2.78Å; H179-K181 PolarHBondContact O-N 3.42Å; H179-S182 WeakPolarHBondContact O-CA 2.98Å; H179-S182 WeakPolarHBondContact O-CB 3.17Å; H179-S182 PolarHBondContact O-N 3.38Å; H179-L183 HydrophobicContact CB-CD1 4.5Å; H179-L183 WeakPolarHBondContact O-CD1 3.47Å; H179-L183 PolarHBondContact O-N 2.95Å; H179-L183 VanDerWaalsContact O-N 3.1Å; H179-L230 HydrophobicContact CB-CD2 3.81Å; H179-L230 VanDerWaalsContact ND1-CD2 3.3Å; H179-L230 WeakPolarHBondContact ND1-CD2 3.5Å
180	L	97.2	Very high	97.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.1	-38.8	-179.6	-177.7	57.7	0	0	0	112.2	V101 F132 F134 K177 K178 S182 L183 I184 F207 L210	V101-L180 HydrophobicContact CG1-CD2 4.13Å; F132-L180 HydrophobicContact CE2-CD1 4.12Å; F134-L180 HydrophobicContact CD2-CD1 3.85Å; F134-L180 HydrophobicContact CE2-CD1 3.89Å; K177-L180 WeakPolarHBondContact O-CB 3.45Å; K177-L180 PolarHBondContact O-N 3.07Å; K178-L180 VanDerWaalsContact C-N 3.31Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 3.12Å; L180-L183 WeakPolarHBondContact O-CB 3.32Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-I184 HydrophobicContact CG-CD1 4.36Å; L180-I184 VanDerWaalsContact O-CG1 3.31Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.27Å; L180-F207 HydrophobicContact CD2-CD2 4.03Å; L180-F207 HydrophobicContact CD2-CE2 3.82Å; L180-F207 HydrophobicContact CD2-CG 4.49Å; L180-F207 HydrophobicContact CD2-CZ 4.11Å; L180-L210 HydrophobicContact CD1-CD2 3.91Å; L180-L210 HydrophobicContact CD2-CD2 4.19Å; L180-L210 HydrophobicContact CG-CD2 4.27Å
181	K	97	Very high	97.5	Very high	151 Å²	151	26 Å²	26	66%	0.657	13%	0.126	S	C	*	.	H	α-helix	trans	-59.6	-40.2	175	-171.3	174	-178.9	176.4	0	112.3	H179 I184 T185	H179-K181 PolarHBondContact O-N 3.42Å; K181-I184 WeakPolarHBondContact O-CB 3.32Å; K181-I184 PolarHBondContact O-N 3.2Å; K181-T185 PolarHBondContact O-N 3.36Å; K181-T185 PolarHBondContact O-OG1 3.45Å
182	S	97.5	Very high	97.4	Very high	33 Å²	33	26.1 Å²	26.1	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-66.9	-39.9	176.8	-51.3	0	0	0	0	111.5	H179 L180 I184 T185 Q186	H179-S182 WeakPolarHBondContact O-CA 2.98Å; H179-S182 WeakPolarHBondContact O-CB 3.17Å; H179-S182 PolarHBondContact O-N 3.38Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 3.12Å; S182-I184 PolarHBondContact O-N 3.49Å; S182-T185 WeakPolarHBondContact O-CB 3.26Å; S182-T185 PolarHBondContact O-N 2.98Å; S182-Q186 WeakPolarHBondContact O-CG 3.39Å; S182-Q186 PolarHBondContact O-N 3.28Å; S182-Q186 VanDerWaalsContact O-N 3.12Å
183	L	98.2	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.7	-44.8	173.7	-88.6	65.4	0	0	0	111.3	F132 F134 W142 L175 H179 L180 T185 Q186 F187 L230	F132-L183 HydrophobicContact CB-CD2 4.44Å; F134-L183 HydrophobicContact CE2-CD2 3.85Å; F134-L183 HydrophobicContact CZ-CD2 4.09Å; W142-L183 HydrophobicContact CB-CD2 4.36Å; W142-L183 HydrophobicContact CD2-CD1 4.49Å; W142-L183 HydrophobicContact CD2-CD2 3.97Å; W142-L183 HydrophobicContact CD2-CG 4.06Å; W142-L183 HydrophobicContact CE3-CD1 3.74Å; W142-L183 HydrophobicContact CE3-CD2 4.05Å; W142-L183 HydrophobicContact CE3-CG 3.74Å; W142-L183 HydrophobicContact CG-CD2 4.12Å; W142-L183 HydrophobicContact CH2-CG 4.36Å; W142-L183 HydrophobicContact CZ3-CD1 3.9Å; W142-L183 HydrophobicContact CZ3-CG 3.91Å; L175-L183 HydrophobicContact CD1-CD1 4.14Å; H179-L183 HydrophobicContact CB-CD1 4.5Å; H179-L183 WeakPolarHBondContact O-CD1 3.47Å; H179-L183 PolarHBondContact O-N 2.95Å; H179-L183 VanDerWaalsContact O-N 3.1Å; L180-L183 WeakPolarHBondContact O-CB 3.32Å; L180-L183 PolarHBondContact O-N 3.34Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 3.18Å; L183-Q186 PolarHBondContact O-N 3.37Å; L183-Q186 VanDerWaalsContact O-N 3.07Å; L183-F187 HydrophobicContact CB-CD2 4.37Å; L183-F187 HydrophobicContact CB-CE2 3.91Å; L183-F187 HydrophobicContact CB-CZ 4.29Å; L183-F187 HydrophobicContact CD2-CE2 4.35Å; L183-F187 HydrophobicContact CD2-CZ 4.29Å; L183-F187 HydrophobicContact CG-CE2 4.43Å; L183-F187 HydrophobicContact CG-CZ 4.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.21Å; L183-F187 VanDerWaalsContact O-CG 3.25Å; L183-F187 WeakPolarHBondContact O-CG 3.21Å; L183-F187 PolarHBondContact O-N 3.29Å; L183-L230 HydrophobicContact CD1-CD1 4.43Å
184	I	98.1	Very high	97.1	Very high	15 Å²	15	26.4 Å²	26.4	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-55.6	-45.3	176.8	-65.6	165.1	0	0	0	110.8	L180 K181 S182 Q186 F187 A188 F207 D209 L210 L213	L180-I184 HydrophobicContact CG-CD1 4.36Å; L180-I184 VanDerWaalsContact O-CG1 3.31Å; L180-I184 WeakPolarHBondContact O-CG1 3.37Å; L180-I184 PolarHBondContact O-N 3.27Å; K181-I184 WeakPolarHBondContact O-CB 3.32Å; K181-I184 PolarHBondContact O-N 3.2Å; S182-I184 PolarHBondContact O-N 3.49Å; I184-Q186 VanDerWaalsContact C-N 3.34Å; I184-Q186 PolarHBondContact O-N 3.23Å; I184-F187 PolarHBondContact O-N 3.26Å; I184-A188 WeakPolarHBondContact O-CB 3.36Å; I184-A188 PolarHBondContact O-N 3.41Å; I184-F207 HydrophobicContact CD1-CB 3.9Å; I184-F207 HydrophobicContact CD1-CD1 3.45Å; I184-F207 VanDerWaalsContact CD1-CD1 3.45Å; I184-F207 HydrophobicContact CD1-CE1 4.29Å; I184-F207 HydrophobicContact CD1-CG 3.93Å; I184-D209 HydrophobicContact CG2-CB 4.09Å; I184-L210 HydrophobicContact CD1-CB 3.75Å; I184-L210 HydrophobicContact CD1-CD2 4.22Å; I184-L210 HydrophobicContact CD1-CG 4.46Å; I184-L210 HydrophobicContact CG1-CB 3.86Å; I184-L210 HydrophobicContact CG1-CD1 4.07Å; I184-L210 HydrophobicContact CG1-CD2 4.27Å; I184-L210 HydrophobicContact CG1-CG 4.28Å; I184-L213 HydrophobicContact CG2-CD1 4.08Å
185	T	97.2	Very high	96.9	Very high	63 Å²	63	26.2 Å²	26.2	39%	0.387	13%	0.127	S	C	.	.	H	α-helix	trans	-60.9	-42.4	176.6	-55.8	0	0	0	0	112.2	K181 S182 L183 L189	K181-T185 PolarHBondContact O-N 3.36Å; K181-T185 PolarHBondContact O-OG1 3.45Å; S182-T185 WeakPolarHBondContact O-CB 3.26Å; S182-T185 PolarHBondContact O-N 2.98Å; L183-T185 VanDerWaalsContact C-N 3.29Å; L183-T185 PolarHBondContact O-N 3.18Å; T185-L189 WeakPolarHBondContact O-CB 3.48Å; T185-L189 PolarHBondContact O-N 3.32Å
186	Q	98.3	Very high	96.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-68	-39	178.5	-61.4	-66.4	-64.9	0	0	111.9	S182 L183 I184 L189 A190 N226 I228 H241 S243	S182-Q186 WeakPolarHBondContact O-CG 3.39Å; S182-Q186 PolarHBondContact O-N 3.28Å; S182-Q186 VanDerWaalsContact O-N 3.12Å; L183-Q186 PolarHBondContact O-N 3.37Å; L183-Q186 VanDerWaalsContact O-N 3.07Å; I184-Q186 VanDerWaalsContact C-N 3.34Å; I184-Q186 PolarHBondContact O-N 3.23Å; Q186-L189 PolarHBondContact O-N 2.99Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 2.85Å; Q186-N226 PolarHBondContact NE2-ND2 3.24Å; Q186-I228 HydrophobicContact CG-CD1 3.41Å; Q186-I228 VanDerWaalsContact CG-CD1 3.41Å; Q186-I228 HydrophobicContact CG-CG1 3.83Å; Q186-H241 PolarHBondContact OE1-ND1 2.94Å; Q186-H241 PolarHBondContact OE1-O 2.86Å; Q186-S243 PolarHBondContact O-OG 3.37Å
187	F	98.2	Very high	96.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-39.6	177.7	-64.3	-28.8	0	0	0	112.5	Y105 F132 W142 L183 I184 L189 R191 P192 F194 L213	Y105-F187 AromaticContact CE1-CE1 3.99Å; Y105-F187 HydrophobicContact CE1-CE1 3.99Å; Y105-F187 HydrophobicContact CE1-CZ 4.06Å; F132-F187 AromaticContact CD1-CE2 3.75Å; F132-F187 HydrophobicContact CD1-CE2 3.75Å; F132-F187 AromaticContact CD1-CZ 3.88Å; F132-F187 HydrophobicContact CD1-CZ 3.88Å; F132-F187 AromaticContact CE1-CE2 3.71Å; F132-F187 HydrophobicContact CE1-CE2 3.71Å; F132-F187 HydrophobicContact CE1-CZ 4.27Å; F132-F187 HydrophobicContact CG-CE2 4.4Å; F132-F187 HydrophobicContact CG-CZ 4.5Å; F132-F187 HydrophobicContact CZ-CE2 4.35Å; W142-F187 AromaticContact CZ2-CE1 3.75Å; W142-F187 HydrophobicContact CZ2-CE1 3.75Å; W142-F187 HydrophobicContact CZ2-CZ 4.18Å; W142-F187 AromaticContact NE1-CZ 3.96Å; L183-F187 HydrophobicContact CB-CD2 4.37Å; L183-F187 HydrophobicContact CB-CE2 3.91Å; L183-F187 HydrophobicContact CB-CZ 4.29Å; L183-F187 HydrophobicContact CD2-CE2 4.35Å; L183-F187 HydrophobicContact CD2-CZ 4.29Å; L183-F187 HydrophobicContact CG-CE2 4.43Å; L183-F187 HydrophobicContact CG-CZ 4.36Å; L183-F187 WeakPolarHBondContact O-CD2 3.21Å; L183-F187 VanDerWaalsContact O-CG 3.25Å; L183-F187 WeakPolarHBondContact O-CG 3.21Å; L183-F187 PolarHBondContact O-N 3.29Å; I184-F187 PolarHBondContact O-N 3.26Å; F187-L189 PolarHBondContact O-N 2.8Å; F187-R191 WeakPolarHBondContact O-CA 3.23Å; F187-R191 PolarHBondContact O-N 2.7Å; F187-P192 HydrophobicContact CB-CG 4.08Å; F187-P192 HydrophobicContact CD1-CG 3.87Å; F187-P192 HydrophobicContact CG-CG 4.14Å; F187-P192 WeakPolarHBondContact O-CD 3.23Å; F187-F194 HydrophobicContact CD2-CZ 4.15Å; F187-F194 HydrophobicContact CE2-CZ 4.43Å; F187-F194 HydrophobicContact CG-CZ 4.37Å; F187-L213 HydrophobicContact CB-CD1 3.97Å
188	A	97.2	Very high	96.7	Very high	12 Å²	12	26.8 Å²	26.8	10%	0.099	14%	0.14	C	C	.	.	H	α-helix	trans	-58.3	-41.1	173.5	0	0	0	0	0	111.4	I184 L213 V219 T221	I184-A188 WeakPolarHBondContact O-CB 3.36Å; I184-A188 PolarHBondContact O-N 3.41Å; A188-L213 HydrophobicContact CB-CD1 4.36Å; A188-V219 HydrophobicContact CB-CB 3.95Å; A188-V219 HydrophobicContact CB-CG1 3.87Å; A188-T221 HydrophobicContact CB-CG2 3.64Å
189	L	96.8	Very high	96.8	Very high	7 Å²	7	22 Å²	22	4%	0.037	12%	0.12	C	C	.	.	H	α-helix	trans	-72.4	-51	-179.3	-176.1	67.5	0	0	0	113.2	T185 Q186 F187 T221 T223 N226 S243 S245	T185-L189 WeakPolarHBondContact O-CB 3.48Å; T185-L189 PolarHBondContact O-N 3.32Å; Q186-L189 PolarHBondContact O-N 2.99Å; F187-L189 PolarHBondContact O-N 2.8Å; L189-T221 HydrophobicContact CB-CG2 4.27Å; L189-T221 WeakPolarHBondContact CD1-OG1 3.3Å; L189-T223 WeakPolarHBondContact CD1-O 3.02Å; L189-N226 HydrophobicContact CD2-CB 3.67Å; L189-S243 WeakPolarHBondContact CD2-O 3.38Å; L189-S245 WeakPolarHBondContact O-CA 3.23Å; L189-S245 WeakPolarHBondContact O-CB 3.48Å
190	A	97.3	Very high	96.8	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-85.6	-15.6	-174.3	0	0	0	0	0	114.3	G126 M128 Q186 S243 K244 G342	G126-A190 VanDerWaalsContact CA-O 3.26Å; G126-A190 WeakPolarHBondContact CA-O 3.35Å; M128-A190 HydrophobicContact CE-CB 4.06Å; M128-A190 HydrophobicContact CG-CB 4.49Å; M128-A190 HydrophobicContact SD-CB 3.29Å; M128-A190 WeakPolarHBondContact SD-CB 3.47Å; Q186-A190 WeakPolarHBondContact O-CB 3.49Å; Q186-A190 PolarHBondContact O-N 2.85Å; A190-S243 WeakPolarHBondContact CB-OG 3.4Å; A190-K244 WeakPolarHBondContact CA-O 3.29Å; A190-G342 WeakPolarHBondContact O-CA 3.28Å
191	R	95.7	Very high	96.7	Very high	47 Å²	47	25.9 Å²	25.9	18%	0.177	15%	0.149	C	C	.	.			trans	53.6	63.4	175	-163.4	-179.2	175.7	-173.3	1.9	113.5	W124 W125 G126 F187	W124-R191 WeakPolarHBondContact O-CD 3.32Å; W125-R191 HydrophobicContact CE3-CG 4.02Å; W125-R191 HydrophobicContact CZ3-CG 4.03Å; G126-R191 PolarHBondContact N-O 2.83Å; F187-R191 WeakPolarHBondContact O-CA 3.23Å; F187-R191 PolarHBondContact O-N 2.7Å
192	P	96.5	Very high	96.5	Very high	4 Å²	4	21.2 Å²	21.2	3%	0.026	14%	0.136	C	C	.	.			trans	-63.5	146.8	173.4	28.2	-33.4	0	0	0	111.2	Y105 M128 F187 F194	Y105-P192 HydrophobicContact CD1-CB 4.43Å; Y105-P192 HydrophobicContact CD2-CB 3.73Å; Y105-P192 HydrophobicContact CE2-CB 4.48Å; Y105-P192 HydrophobicContact CG-CB 3.7Å; Y105-P192 HydrophobicContact CG-CG 4.49Å; M128-P192 HydrophobicContact CB-CB 4.1Å; M128-P192 HydrophobicContact SD-CB 3.76Å; M128-P192 HydrophobicContact SD-CG 4.16Å; F187-P192 HydrophobicContact CB-CG 4.08Å; F187-P192 HydrophobicContact CD1-CG 3.87Å; F187-P192 HydrophobicContact CG-CG 4.14Å; F187-P192 WeakPolarHBondContact O-CD 3.23Å; P192-F194 HydrophobicContact CG-CD2 4.42Å; P192-F194 HydrophobicContact CG-CE2 3.68Å; P192-F194 HydrophobicContact CG-CZ 3.85Å; P192-F194 PolarHBondContact O-N 3.46Å
193	L	95.5	Very high	96.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	13%	0.125	C	C	.	.			trans	-85	105	171	174.7	56.5	0	0	0	109.6	Y105 N106 I109 P115 Y118 W125 Q195	Y105-L193 CarbonylContact C-O 3.53Å; Y105-L193 WeakPolarHBondContact CA-O 3.33Å; Y105-L193 VanDerWaalsContact CB-O 3.25Å; Y105-L193 WeakPolarHBondContact CB-O 3.35Å; N106-L193 PolarHBondContact N-O 2.79Å; I109-L193 HydrophobicContact CD1-CD2 4.38Å; I109-L193 HydrophobicContact CG2-CD2 3.94Å; I109-L193 HydrophobicContact CG2-CG 4.26Å; P115-L193 HydrophobicContact CG-CD1 4.35Å; Y118-L193 HydrophobicContact CD2-CD1 3.5Å; Y118-L193 VanDerWaalsContact CD2-CD1 3.5Å; Y118-L193 HydrophobicContact CD2-CD2 4.22Å; Y118-L193 HydrophobicContact CE2-CD1 3.94Å; Y118-L193 HydrophobicContact CE2-CD2 3.84Å; Y118-L193 HydrophobicContact CG-CD1 4.47Å; W125-L193 HydrophobicContact CB-CB 4.06Å; W125-L193 HydrophobicContact CD2-CB 3.87Å; W125-L193 HydrophobicContact CD2-CD1 3.95Å; W125-L193 HydrophobicContact CD2-CG 4.35Å; W125-L193 HydrophobicContact CE3-CB 3.96Å; W125-L193 HydrophobicContact CE3-CD1 4.19Å; W125-L193 HydrophobicContact CG-CB 3.88Å; W125-L193 HydrophobicContact CG-CD1 4.48Å; W125-L193 HydrophobicContact CG-CD2 4.3Å; W125-L193 HydrophobicContact CG-CG 4.45Å; W125-L193 HydrophobicContact CH2-CD1 4.46Å; W125-L193 HydrophobicContact CZ2-CD1 4.19Å; W125-L193 HydrophobicContact CZ3-CD1 4.43Å; L193-Q195 PolarHBondContact O-N 2.92Å
194	F	95.9	Very high	96.4	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.018	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	115.7	176.5	-72.9	-78	0	0	0	110.6	M104 Y105 P115 F132 F187 P192 L213 L214 N216	M104-F194 CarbonylContact O-C 3.56Å; M104-F194 VanDerWaalsContact O-CA 3.31Å; M104-F194 WeakPolarHBondContact O-CA 3.38Å; Y105-F194 HydrophobicContact CD1-CD1 4.25Å; Y105-F194 AromaticContact CD1-CE1 3.67Å; Y105-F194 HydrophobicContact CD1-CE1 3.67Å; Y105-F194 HydrophobicContact CD1-CZ 4.31Å; Y105-F194 HydrophobicContact CG-CE1 4.31Å; P115-F194 WeakPolarHBondContact CB-O 3.5Å; F132-F194 HydrophobicContact CD1-CE1 4.39Å; F132-F194 AromaticContact CE1-CE1 3.73Å; F132-F194 HydrophobicContact CE1-CE1 3.73Å; F132-F194 HydrophobicContact CE1-CZ 4.16Å; F187-F194 HydrophobicContact CD2-CZ 4.15Å; F187-F194 HydrophobicContact CE2-CZ 4.43Å; F187-F194 HydrophobicContact CG-CZ 4.37Å; P192-F194 HydrophobicContact CG-CD2 4.42Å; P192-F194 HydrophobicContact CG-CE2 3.68Å; P192-F194 HydrophobicContact CG-CZ 3.85Å; P192-F194 PolarHBondContact O-N 3.46Å; F194-L213 WeakPolarHBondContact CD2-O 3.35Å; F194-L213 HydrophobicContact CE2-CB 4.13Å; F194-L214 HydrophobicContact CD1-CD2 3.66Å; F194-L214 HydrophobicContact CD2-CD2 4.29Å; F194-L214 HydrophobicContact CE1-CD2 3.59Å; F194-L214 HydrophobicContact CE2-CD2 4.19Å; F194-L214 HydrophobicContact CG-CD2 4.01Å; F194-L214 HydrophobicContact CZ-CD2 3.85Å; F194-N216 PolarHBondContact N-OD1 3.49Å; F194-N216 PolarHBondContact O-ND2 3.37Å
195	Q	94.5	Very high	96.2	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-25.4	179.9	67.7	165.6	27.4	0	0	113	M104 I109 T113 L150 S151 N154 L193	M104-Q195 HydrophobicContact CB-CG 3.9Å; M104-Q195 PolarHBondContact O-N 2.86Å; I109-Q195 HydrophobicContact CB-CB 4.48Å; I109-Q195 HydrophobicContact CG2-CB 3.62Å; T113-Q195 HydrophobicContact CG2-CB 4.17Å; L150-Q195 PolarHBondContact O-NE2 2.8Å; S151-Q195 PolarHBondContact O-NE2 3.02Å; N154-Q195 PolarHBondContact ND2-O 2.88Å; N154-Q195 PolarHBondContact OD1-O 3.22Å; L193-Q195 PolarHBondContact O-N 2.92Å
196	G	93.8	Very high	96.1	Very high	10 Å²	10	31.3 Å²	31.3	10%	0.103	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	138.1	177.9	0	0	0	0	0	110.2	M104	M104-G196 PolarHBondContact N-O 3.04Å; M104-G196 PolarHBondContact O-N 2.8Å
197	A	96.5	Very high	96	Very high	42 Å²	42	32.8 Å²	32.8	35%	0.347	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	155.6	-175.5	0	0	0	0	0	111.3	I102 L214	I102-A197 VanDerWaalsContact O-CA 3.3Å; I102-A197 WeakPolarHBondContact O-CA 3.27Å; I102-A197 WeakPolarHBondContact O-CB 3.26Å; A197-L214 HydrophobicContact CB-CB 3.86Å; A197-L214 HydrophobicContact CB-CD1 4.24Å; A197-L214 HydrophobicContact CB-CD2 3.74Å; A197-L214 HydrophobicContact CB-CG 4.13Å
198	H	96.4	Very high	96	Very high	37 Å²	37	36 Å²	36	17%	0.171	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.5	167.7	173.9	90.9	0	0	0	108.1	D96 V101 I102	D96-H198 PolarHBondContact N-CE1 2.81Å; D96-H198 VanDerWaalsContact N-CE1 3.31Å; D96-H198 PolarHBondContact N-NE2 3.42Å; D96-H198 IonicContact OD1-CE1 2.71Å; D96-H198 PolarHBondContact OD1-CE1 2.86Å; D96-H198 VanDerWaalsContact OD1-CE1 3.32Å; D96-H198 IonicContact OD1-ND1 3.9Å; V101-H198 CarbonylContact C-O 3.56Å; V101-H198 WeakPolarHBondContact CA-O 3.24Å; V101-H198 WeakPolarHBondContact CG2-O 3.33Å; I102-H198 HydrophobicContact CD1-CB 4.4Å; I102-H198 HydrophobicContact CG1-CB 3.95Å; I102-H198 PolarHBondContact N-O 2.97Å; I102-H198 PolarHBondContact O-N 2.87Å; I102-H198 VanDerWaalsContact O-O 3.08Å
199	I	97.5	Very high	96	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.072	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	121.4	172.4	-177.9	173.4	0	0	0	108.3	V101 L203 K204 L210 A211 L214	V101-I199 HydrophobicContact CB-CB 4.46Å; V101-I199 HydrophobicContact CB-CG1 4.26Å; V101-I199 HydrophobicContact CG2-CB 3.96Å; V101-I199 HydrophobicContact CG2-CD1 4.33Å; V101-I199 HydrophobicContact CG2-CG1 4.02Å; I199-L203 HydrophobicContact CD1-CB 4.11Å; I199-L203 HydrophobicContact CG1-CB 3.74Å; I199-K204 HydrophobicContact CB-CG 4.39Å; I199-K204 HydrophobicContact CD1-CG 4.1Å; I199-K204 HydrophobicContact CG1-CG 3.98Å; I199-K204 HydrophobicContact CG2-CD 4.24Å; I199-K204 HydrophobicContact CG2-CG 3.68Å; I199-K204 VanDerWaalsContact O-CE 3.27Å; I199-K204 WeakPolarHBondContact O-CE 3.46Å; I199-L210 HydrophobicContact CD1-CB 4.42Å; I199-L210 HydrophobicContact CD1-CD2 4.27Å; I199-L210 HydrophobicContact CD1-CG 4.24Å; I199-A211 HydrophobicContact CD1-CB 4.28Å; I199-L214 HydrophobicContact CB-CD1 3.82Å; I199-L214 HydrophobicContact CD1-CD1 4.35Å; I199-L214 HydrophobicContact CG2-CD1 3.98Å
200	A	97.1	Very high	96.1	Very high	9 Å²	9	38.2 Å²	38.2	7%	0.074	22%	0.222	C	C	.	.			trans	-60.1	149.9	177.3	0	0	0	0	0	111.2	S100 S202 L203 K204	S100-A200 WeakPolarHBondContact O-CB 3.12Å; S100-A200 PolarHBondContact O-N 3Å; A200-S202 VanDerWaalsContact C-N 3.26Å; A200-S202 PolarHBondContact O-N 2.85Å; A200-L203 PolarHBondContact O-N 2.87Å; A200-L203 VanDerWaalsContact O-N 3.08Å; A200-K204 PolarHBondContact O-N 3.02Å
201	S	95.7	Very high	96.1	Very high	90 Å²	90	38.7 Å²	38.7	63%	0.629	23%	0.226	S	C	*	.	H	α-helix	trans	-58.3	-36.4	-176.5	-61.5	0	0	0	0	113.3	K204 S205	S201-K204 PolarHBondContact O-N 3.3Å; S201-S205 PolarHBondContact O-N 2.85Å
202	S	93.8	Very high	96.1	Very high	53 Å²	53	40.6 Å²	40.6	37%	0.371	24%	0.236	S	C	.	.	H	α-helix	trans	-58	-48.3	174.1	47.5	0	0	0	0	111.9	D99 A200 K204 S205 E206	D99-S202 WeakPolarHBondContact OD1-CB 3.49Å; D99-S202 PolarHBondContact OD1-OG 3.11Å; A200-S202 VanDerWaalsContact C-N 3.26Å; A200-S202 PolarHBondContact O-N 2.85Å; S202-K204 PolarHBondContact O-N 2.53Å; S202-S205 PolarHBondContact O-N 3.03Å; S202-E206 PolarHBondContact O-N 3.06Å
203	L	95.8	Very high	96.1	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-70.8	-26.6	178.6	-65.1	-174.5	0	0	0	113.4	D99 V101 I199 A200 S205 E206 F207	D99-L203 WeakPolarHBondContact O-CD1 3.42Å; V101-L203 HydrophobicContact CB-CD1 3.73Å; V101-L203 HydrophobicContact CG1-CD1 3.76Å; I199-L203 HydrophobicContact CD1-CB 4.11Å; I199-L203 HydrophobicContact CG1-CB 3.74Å; A200-L203 PolarHBondContact O-N 2.87Å; A200-L203 VanDerWaalsContact O-N 3.08Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.87Å; L203-E206 PolarHBondContact O-N 3.01Å; L203-F207 HydrophobicContact CB-CD2 4.48Å; L203-F207 HydrophobicContact CD2-CD2 4.22Å; L203-F207 HydrophobicContact CD2-CE2 4.06Å; L203-F207 WeakPolarHBondContact O-CB 3.05Å; L203-F207 PolarHBondContact O-N 2.87Å
204	K	96.3	Very high	96.2	Very high	92 Å²	92	41.1 Å²	41.1	40%	0.4	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-41.2	173.3	-71.8	-178.7	-177	172.6	0	111.6	I199 A200 S201 S202 F207 P208 A211	I199-K204 HydrophobicContact CB-CG 4.39Å; I199-K204 HydrophobicContact CD1-CG 4.1Å; I199-K204 HydrophobicContact CG1-CG 3.98Å; I199-K204 HydrophobicContact CG2-CD 4.24Å; I199-K204 HydrophobicContact CG2-CG 3.68Å; I199-K204 VanDerWaalsContact O-CE 3.27Å; I199-K204 WeakPolarHBondContact O-CE 3.46Å; A200-K204 PolarHBondContact O-N 3.02Å; S201-K204 PolarHBondContact O-N 3.3Å; S202-K204 PolarHBondContact O-N 2.53Å; K204-F207 CarbonylContact O-C 3.16Å; K204-P208 WeakPolarHBondContact O-CA 3.39Å; K204-A211 HydrophobicContact CB-CB 4.3Å; K204-A211 HydrophobicContact CG-CB 4.07Å
205	S	94.3	Very high	96.1	Very high	106 Å²	106	44.5 Å²	44.5	74%	0.741	25%	0.254	S	S	*	.	H	α-helix	trans	-70.1	-37.3	178	-63.9	0	0	0	0	112	S201 S202 L203	S201-S205 PolarHBondContact O-N 2.85Å; S202-S205 PolarHBondContact O-N 3.03Å; L203-S205 VanDerWaalsContact C-N 3.3Å; L203-S205 PolarHBondContact O-N 2.87Å
206	E	94.9	Very high	96.1	Very high	124 Å²	124	44.9 Å²	44.9	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-74.2	-39.3	178.3	-168	-177.7	172	0	0	112.8	S202 L203 P208	S202-E206 PolarHBondContact O-N 3.06Å; L203-E206 PolarHBondContact O-N 3.01Å; E206-P208 VanDerWaalsContact C-CD 3.47Å; E206-P208 WeakPolarHBondContact O-CD 3.16Å
207	F	97.3	Very high	96.1	Very high	30 Å²	30	48.8 Å²	48.8	13%	0.132	27%	0.272	C	S	.	.			trans	-124.3	68.6	-176	-57.5	-74	0	0	0	111.8	L180 I184 L203 K204 D209 L210 A211	L180-F207 HydrophobicContact CD2-CD2 4.03Å; L180-F207 HydrophobicContact CD2-CE2 3.82Å; L180-F207 HydrophobicContact CD2-CG 4.49Å; L180-F207 HydrophobicContact CD2-CZ 4.11Å; I184-F207 HydrophobicContact CD1-CB 3.9Å; I184-F207 HydrophobicContact CD1-CD1 3.45Å; I184-F207 VanDerWaalsContact CD1-CD1 3.45Å; I184-F207 HydrophobicContact CD1-CE1 4.29Å; I184-F207 HydrophobicContact CD1-CG 3.93Å; L203-F207 HydrophobicContact CB-CD2 4.48Å; L203-F207 HydrophobicContact CD2-CD2 4.22Å; L203-F207 HydrophobicContact CD2-CE2 4.06Å; L203-F207 WeakPolarHBondContact O-CB 3.05Å; L203-F207 PolarHBondContact O-N 2.87Å; K204-F207 CarbonylContact O-C 3.16Å; F207-D209 VanDerWaalsContact C-N 3.3Å; F207-D209 PolarHBondContact O-N 2.87Å; F207-L210 HydrophobicContact CB-CB 3.79Å; F207-L210 HydrophobicContact CB-CD2 4.43Å; F207-L210 WeakPolarHBondContact O-CB 3.2Å; F207-L210 PolarHBondContact O-N 2.81Å; F207-L210 VanDerWaalsContact O-N 3.09Å; F207-A211 PolarHBondContact O-N 3.45Å
208	P	97.3	Very high	95.8	Very high	68 Å²	68	52.5 Å²	52.5	44%	0.442	28%	0.28	S	S	.	.	H	α-helix	trans	-62.1	-35	-175.9	23.8	-34.5	0	0	0	113.2	K204 E206 A211 K212	K204-P208 WeakPolarHBondContact O-CA 3.39Å; E206-P208 VanDerWaalsContact C-CD 3.47Å; E206-P208 WeakPolarHBondContact O-CD 3.16Å; P208-A211 WeakPolarHBondContact O-CB 3.37Å; P208-A211 PolarHBondContact O-N 3.4Å; P208-K212 WeakPolarHBondContact O-CG 3.29Å; P208-K212 PolarHBondContact O-N 2.85Å
209	D	97.8	Very high	95.7	Very high	65 Å²	65	51.6 Å²	51.6	35%	0.348	28%	0.277	S	S	.	.	H	α-helix	trans	-70.3	-33	176.8	-71.9	-22.1	0	0	0	112.2	I184 F207 A211 K212 L213 V219	I184-D209 HydrophobicContact CG2-CB 4.09Å; F207-D209 VanDerWaalsContact C-N 3.3Å; F207-D209 PolarHBondContact O-N 2.87Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-K212 PolarHBondContact O-N 2.83Å; D209-K212 IonicContact OD1-NZ 2.9Å; D209-K212 PolarHBondContact OD1-NZ 3.35Å; D209-L213 WeakPolarHBondContact O-CB 3.38Å; D209-L213 VanDerWaalsContact O-CG 3.22Å; D209-L213 WeakPolarHBondContact O-CG 3.39Å; D209-L213 PolarHBondContact O-N 2.92Å; D209-V219 HydrophobicContact CB-CG1 4.14Å; D209-V219 HydrophobicContact CB-CG2 4.08Å
210	L	98.1	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.6	-44.1	170.3	-173.1	54	0	0	0	110.6	V101 F132 L180 I184 I199 F207 K212 L213 L214	V101-L210 HydrophobicContact CG2-CD2 3.87Å; F132-L210 HydrophobicContact CZ-CD1 3.98Å; F132-L210 HydrophobicContact CZ-CD2 4.46Å; L180-L210 HydrophobicContact CD1-CD2 3.91Å; L180-L210 HydrophobicContact CD2-CD2 4.19Å; L180-L210 HydrophobicContact CG-CD2 4.27Å; I184-L210 HydrophobicContact CD1-CB 3.75Å; I184-L210 HydrophobicContact CD1-CD2 4.22Å; I184-L210 HydrophobicContact CD1-CG 4.46Å; I184-L210 HydrophobicContact CG1-CB 3.86Å; I184-L210 HydrophobicContact CG1-CD1 4.07Å; I184-L210 HydrophobicContact CG1-CD2 4.27Å; I184-L210 HydrophobicContact CG1-CG 4.28Å; I199-L210 HydrophobicContact CD1-CB 4.42Å; I199-L210 HydrophobicContact CD1-CD2 4.27Å; I199-L210 HydrophobicContact CD1-CG 4.24Å; F207-L210 HydrophobicContact CB-CB 3.79Å; F207-L210 HydrophobicContact CB-CD2 4.43Å; F207-L210 WeakPolarHBondContact O-CB 3.2Å; F207-L210 PolarHBondContact O-N 2.81Å; F207-L210 VanDerWaalsContact O-N 3.09Å; L210-K212 VanDerWaalsContact C-N 3.25Å; L210-K212 PolarHBondContact O-N 2.98Å; L210-L213 PolarHBondContact O-N 3.5Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L210-L214 HydrophobicContact CD1-CD1 4.25Å; L210-L214 HydrophobicContact CD1-CD2 4.2Å; L210-L214 HydrophobicContact CD1-CG 3.97Å; L210-L214 HydrophobicContact CG-CD1 4Å; L210-L214 HydrophobicContact CG-CG 4.17Å; L210-L214 WeakPolarHBondContact O-CB 3.21Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 3.25Å
211	A	97.5	Very high	95.2	Very high	11 Å²	11	61.2 Å²	61.2	9%	0.091	32%	0.322	C	S	.	.	H	α-helix	trans	-59.1	-36.4	177.6	0	0	0	0	0	112.6	I199 K204 F207 P208 D209 Q215	I199-A211 HydrophobicContact CD1-CB 4.28Å; K204-A211 HydrophobicContact CB-CB 4.3Å; K204-A211 HydrophobicContact CG-CB 4.07Å; F207-A211 PolarHBondContact O-N 3.45Å; P208-A211 WeakPolarHBondContact O-CB 3.37Å; P208-A211 PolarHBondContact O-N 3.4Å; D209-A211 VanDerWaalsContact C-N 3.34Å; A211-Q215 WeakPolarHBondContact O-CG 3.43Å; A211-Q215 PolarHBondContact O-NE2 2.82Å
212	K	96	Very high	95	Very high	87 Å²	87	66.8 Å²	66.8	38%	0.378	34%	0.338	S	S	.	.	H	α-helix	trans	-67.1	-49.9	172	-71.9	175.3	-169.5	160.8	0	111.8	P208 D209 L210 L214 Q215 N216 Q217 V219	P208-K212 WeakPolarHBondContact O-CG 3.29Å; P208-K212 PolarHBondContact O-N 2.85Å; D209-K212 PolarHBondContact O-N 2.83Å; D209-K212 IonicContact OD1-NZ 2.9Å; D209-K212 PolarHBondContact OD1-NZ 3.35Å; L210-K212 VanDerWaalsContact C-N 3.25Å; L210-K212 PolarHBondContact O-N 2.98Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-L214 PolarHBondContact O-N 2.82Å; K212-Q215 CarbonylContact O-C 3.52Å; K212-Q215 WeakPolarHBondContact O-CA 3.26Å; K212-Q215 WeakPolarHBondContact O-CB 3.06Å; K212-Q215 PolarHBondContact O-N 3.09Å; K212-N216 PolarHBondContact O-N 3.22Å; K212-Q217 HydrophobicContact CB-CB 4.07Å; K212-Q217 WeakPolarHBondContact O-CB 3.27Å; K212-Q217 PolarHBondContact O-N 3.15Å; K212-V219 HydrophobicContact CB-CG2 4.05Å; K212-V219 HydrophobicContact CD-CG2 4.27Å
213	L	96.7	Very high	95.1	Very high	7 Å²	7	68 Å²	68	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-59.1	-43.2	-179.4	-72.5	167.2	0	0	0	112.1	I184 F187 A188 F194 D209 L210 Q215 N216 V219	I184-L213 HydrophobicContact CG2-CD1 4.08Å; F187-L213 HydrophobicContact CB-CD1 3.97Å; A188-L213 HydrophobicContact CB-CD1 4.36Å; F194-L213 WeakPolarHBondContact CD2-O 3.35Å; F194-L213 HydrophobicContact CE2-CB 4.13Å; D209-L213 WeakPolarHBondContact O-CB 3.38Å; D209-L213 VanDerWaalsContact O-CG 3.22Å; D209-L213 WeakPolarHBondContact O-CG 3.39Å; D209-L213 PolarHBondContact O-N 2.92Å; L210-L213 PolarHBondContact O-N 3.5Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L213-Q215 PolarHBondContact O-N 3.19Å; L213-N216 WeakPolarHBondContact O-CA 3.29Å; L213-N216 PolarHBondContact O-N 3.45Å; L213-V219 HydrophobicContact CD1-CG2 4.41Å; L213-V219 HydrophobicContact CD2-CB 4.16Å; L213-V219 HydrophobicContact CD2-CG2 3.91Å; L213-V219 HydrophobicContact CG-CB 4.41Å; L213-V219 HydrophobicContact CG-CG2 3.75Å
214	L	96.4	Very high	95.1	Very high	11 Å²	11	72.8 Å²	72.8	6%	0.058	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.8	177.4	-65	-179.5	0	0	0	113.5	V101 F132 F194 A197 I199 L210 K212	V101-L214 HydrophobicContact CG2-CD1 3.81Å; F132-L214 HydrophobicContact CE1-CD2 4.11Å; F132-L214 HydrophobicContact CZ-CD2 4.04Å; F194-L214 HydrophobicContact CD1-CD2 3.66Å; F194-L214 HydrophobicContact CD2-CD2 4.29Å; F194-L214 HydrophobicContact CE1-CD2 3.59Å; F194-L214 HydrophobicContact CE2-CD2 4.19Å; F194-L214 HydrophobicContact CG-CD2 4.01Å; F194-L214 HydrophobicContact CZ-CD2 3.85Å; A197-L214 HydrophobicContact CB-CB 3.86Å; A197-L214 HydrophobicContact CB-CD1 4.24Å; A197-L214 HydrophobicContact CB-CD2 3.74Å; A197-L214 HydrophobicContact CB-CG 4.13Å; I199-L214 HydrophobicContact CB-CD1 3.82Å; I199-L214 HydrophobicContact CD1-CD1 4.35Å; I199-L214 HydrophobicContact CG2-CD1 3.98Å; L210-L214 HydrophobicContact CD1-CD1 4.25Å; L210-L214 HydrophobicContact CD1-CD2 4.2Å; L210-L214 HydrophobicContact CD1-CG 3.97Å; L210-L214 HydrophobicContact CG-CD1 4Å; L210-L214 HydrophobicContact CG-CG 4.17Å; L210-L214 WeakPolarHBondContact O-CB 3.21Å; L210-L214 VanDerWaalsContact O-CG 3.28Å; L210-L214 WeakPolarHBondContact O-CG 3.47Å; L210-L214 PolarHBondContact O-N 3.25Å; K212-L214 VanDerWaalsContact C-N 3.34Å; K212-L214 PolarHBondContact O-N 2.82Å
215	Q	94.8	Very high	95.2	Very high	75 Å²	75	70.1 Å²	70.1	35%	0.35	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	16.7	169.6	-66	172.1	56.7	0	0	112	L116 G117 A211 K212 L213 Q217	L116-Q215 CarbonylContact O-C 3.42Å; G117-Q215 WeakPolarHBondContact CA-O 3.48Å; A211-Q215 WeakPolarHBondContact O-CG 3.43Å; A211-Q215 PolarHBondContact O-NE2 2.82Å; K212-Q215 CarbonylContact O-C 3.52Å; K212-Q215 WeakPolarHBondContact O-CA 3.26Å; K212-Q215 WeakPolarHBondContact O-CB 3.06Å; K212-Q215 PolarHBondContact O-N 3.09Å; L213-Q215 PolarHBondContact O-N 3.19Å; Q215-Q217 HydrophobicContact CB-CG 4.22Å; Q215-Q217 PolarHBondContact O-N 2.87Å; Q215-Q217 VanDerWaalsContact O-N 3.12Å
216	N	94.7	Very high	95.4	Very high	9 Å²	9	67.4 Å²	67.4	5%	0.048	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	24.5	-178.5	-65.8	-59.2	0	0	0	114.4	L116 W125 F194 K212 L213	L116-N216 WeakPolarHBondContact O-CB 3.22Å; L116-N216 PolarHBondContact O-ND2 3.48Å; W125-N216 HydrophobicContact CH2-CB 3.67Å; W125-N216 WeakPolarHBondContact CH2-O 3.43Å; W125-N216 HydrophobicContact CZ3-CB 4.11Å; F194-N216 PolarHBondContact N-OD1 3.49Å; F194-N216 PolarHBondContact O-ND2 3.37Å; K212-N216 PolarHBondContact O-N 3.22Å; L213-N216 WeakPolarHBondContact O-CA 3.29Å; L213-N216 PolarHBondContact O-N 3.45Å
217	Q	93.3	Very high	95.5	Very high	93 Å²	93	63.1 Å²	63.1	44%	0.435	32%	0.318	S	S	.	.			trans	-82.5	145.6	174.3	-58.9	-179.5	20	0	0	110.7	K212 Q215 V219	K212-Q217 HydrophobicContact CB-CB 4.07Å; K212-Q217 WeakPolarHBondContact O-CB 3.27Å; K212-Q217 PolarHBondContact O-N 3.15Å; Q215-Q217 HydrophobicContact CB-CG 4.22Å; Q215-Q217 PolarHBondContact O-N 2.87Å; Q215-Q217 VanDerWaalsContact O-N 3.12Å; Q217-V219 PolarHBondContact O-N 2.98Å
218	K	90.7	Very high	95.6	Very high	119 Å²	119	62.6 Å²	62.6	52%	0.517	32%	0.316	S	S	.	.			trans	-69.5	130.2	177.8	-173.6	173.1	-179	174.7	0	110.4	F220	K218-F220 HydrophobicContact CD-CD1 4.45Å; K218-F220 HydrophobicContact CD-CE1 4.04Å; K218-F220 HydrophobicContact CD-CZ 4.28Å
219	V	94.4	Very high	95.6	Very high	19 Å²	19	66.7 Å²	66.7	12%	0.115	33%	0.33	C	S	.	.			trans	-109.8	125.7	164.7	176.9	0	0	0	0	106.8	A188 D209 K212 L213 Q217	A188-V219 HydrophobicContact CB-CB 3.95Å; A188-V219 HydrophobicContact CB-CG1 3.87Å; D209-V219 HydrophobicContact CB-CG1 4.14Å; D209-V219 HydrophobicContact CB-CG2 4.08Å; K212-V219 HydrophobicContact CB-CG2 4.05Å; K212-V219 HydrophobicContact CD-CG2 4.27Å; L213-V219 HydrophobicContact CD1-CG2 4.41Å; L213-V219 HydrophobicContact CD2-CB 4.16Å; L213-V219 HydrophobicContact CD2-CG2 3.91Å; L213-V219 HydrophobicContact CG-CB 4.41Å; L213-V219 HydrophobicContact CG-CG2 3.75Å; Q217-V219 PolarHBondContact O-N 2.98Å
220	F	91.9	Very high	95.6	Very high	169 Å²	169	63.9 Å²	63.9	74%	0.741	32%	0.315	S	S	*	.			trans	-75.8	140	-176.3	-68.1	-85.4	0	0	0	111	K218	K218-F220 HydrophobicContact CD-CD1 4.45Å; K218-F220 HydrophobicContact CD-CE1 4.04Å; K218-F220 HydrophobicContact CD-CZ 4.28Å
221	T	92.4	Very high	95.6	Very high	56 Å²	56	65.1 Å²	65.1	34%	0.344	32%	0.32	S	S	.	.			trans	-124.1	143.6	172.6	59.9	0	0	0	0	109.1	A188 L189 T223	A188-T221 HydrophobicContact CB-CG2 3.64Å; L189-T221 HydrophobicContact CB-CG2 4.27Å; L189-T221 WeakPolarHBondContact CD1-OG1 3.3Å; T221-T223 PolarHBondContact OG1-O 3.04Å
222	E	90.3	Very high	95.6	Very high	207 Å²	207	64.6 Å²	64.6	97%	0.967	32%	0.316	S	S	*	.	S	Bend	trans	-81	-28.6	178.6	-64.2	-179.5	172.7	0	0	112.5
223	T	95.7	Very high	95.7	Very high	78 Å²	78	61.6 Å²	61.6	48%	0.479	31%	0.307	S	S	.	.			trans	-96.9	155.4	-178.9	70.2	0	0	0	0	111.4	L189 T221 S225	L189-T223 WeakPolarHBondContact CD1-O 3.02Å; T221-T223 PolarHBondContact OG1-O 3.04Å; T223-S225 WeakPolarHBondContact CB-O 3.4Å; T223-S225 PolarHBondContact OG1-O 3.47Å
224	Q	96.4	Very high	95.6	Very high	102 Å²	102	68.3 Å²	68.3	48%	0.477	34%	0.337	S	S	.	.	S	Bend	trans	-94	-16.7	175.2	-64	178.7	-26.7	0	0	113	K244 S245 D247	Q224-K244 WeakPolarHBondContact O-CA 3.36Å; Q224-S245 WeakPolarHBondContact CA-OG 3.3Å; Q224-S245 PolarHBondContact O-N 2.79Å; Q224-S245 PolarHBondContact O-OG 3.37Å; Q224-D247 HydrophobicContact CG-CB 4.13Å; Q224-D247 PolarHBondContact NE2-O 3.03Å; Q224-D247 PolarHBondContact OE1-O 3.33Å
225	S	98	Very high	95.6	Very high	36 Å²	36	75.6 Å²	75.6	25%	0.252	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	155.1	175.9	62.3	0	0	0	0	110.3	T223 S243	T223-S225 WeakPolarHBondContact CB-O 3.4Å; T223-S225 PolarHBondContact OG1-O 3.47Å; S225-S243 CarbonylContact C-O 3.57Å; S225-S243 VanDerWaalsContact CA-O 3.29Å; S225-S243 WeakPolarHBondContact CA-O 3.4Å
226	N	98.2	Very high	95.5	Very high	49 Å²	49	74.3 Å²	74.3	26%	0.262	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.8	175.3	-168.1	24.1	0	0	0	110.7	Q186 L189 S243	Q186-N226 PolarHBondContact NE2-ND2 3.24Å; L189-N226 HydrophobicContact CD2-CB 3.67Å; N226-S243 PolarHBondContact N-O 2.92Å; N226-S243 PolarHBondContact O-N 3.35Å
227	V	98.4	Very high	95.5	Very high	35 Å²	35	74 Å²	74	21%	0.212	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.7	167.8	64.2	0	0	0	0	108.8	N240 H241 F242 F256	V227-N240 HydrophobicContact CG2-CB 4.18Å; V227-H241 WeakPolarHBondContact CA-O 2.9Å; V227-F242 HydrophobicContact CB-CD1 4.25Å; V227-F242 HydrophobicContact CB-CE1 4.36Å; V227-F242 HydrophobicContact CG2-CD1 4.11Å; V227-F242 HydrophobicContact CG2-CD2 4.24Å; V227-F242 HydrophobicContact CG2-CE1 4.04Å; V227-F242 HydrophobicContact CG2-CE2 4.17Å; V227-F242 HydrophobicContact CG2-CG 4.21Å; V227-F242 HydrophobicContact CG2-CZ 4.07Å; V227-F256 HydrophobicContact CB-CZ 4.44Å
228	I	98.2	Very high	95.6	Very high	18 Å²	18	74.2 Å²	74.2	9%	0.092	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.8	172.9	56.3	166.3	0	0	0	109.8	Q186 L230 N240 H241	Q186-I228 HydrophobicContact CG-CD1 3.41Å; Q186-I228 VanDerWaalsContact CG-CD1 3.41Å; Q186-I228 HydrophobicContact CG-CG1 3.83Å; I228-L230 HydrophobicContact CD1-CD1 3.94Å; I228-L230 HydrophobicContact CD1-CD2 3.97Å; I228-L230 HydrophobicContact CD1-CG 3.99Å; I228-L230 HydrophobicContact CG1-CG 4.36Å; I228-N240 WeakPolarHBondContact O-CA 3.41Å; I228-H241 HydrophobicContact CD1-CB 4.24Å; I228-H241 HydrophobicContact CG1-CB 3.83Å; I228-H241 PolarHBondContact N-O 3Å; I228-H241 PolarHBondContact O-N 3.49Å
229	E	98	Very high	96	Very high	154 Å²	154	68.5 Å²	68.5	72%	0.72	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	130.9	171.8	-57.2	-175.7	178.4	0	0	108.9	L239	E229-L239 CarbonylContact C-O 3.29Å; E229-L239 WeakPolarHBondContact CA-O 3.44Å
230	L	98	Very high	96.2	Very high	6 Å²	6	68.8 Å²	68.8	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	166.2	177.9	-55.9	173.5	0	0	0	109	W142 L175 H179 L183 I228 L239	W142-L230 HydrophobicContact CE3-CD1 4.38Å; W142-L230 HydrophobicContact CZ3-CD1 4.11Å; L175-L230 HydrophobicContact CD1-CD1 4.45Å; H179-L230 HydrophobicContact CB-CD2 3.81Å; H179-L230 VanDerWaalsContact ND1-CD2 3.3Å; H179-L230 WeakPolarHBondContact ND1-CD2 3.5Å; L183-L230 HydrophobicContact CD1-CD1 4.43Å; I228-L230 HydrophobicContact CD1-CD1 3.94Å; I228-L230 HydrophobicContact CD1-CD2 3.97Å; I228-L230 HydrophobicContact CD1-CG 3.99Å; I228-L230 HydrophobicContact CG1-CG 4.36Å; L230-L239 HydrophobicContact CB-CB 4.01Å; L230-L239 HydrophobicContact CB-CD1 4.18Å; L230-L239 PolarHBondContact N-O 2.82Å; L230-L239 PolarHBondContact O-N 3.36Å
231	Q	97.5	Very high	96.5	Very high	26 Å²	26	60.8 Å²	60.8	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.5	169.1	63.1	-178.3	14.6	0	0	108.2	L175 F237	L175-Q231 WeakPolarHBondContact CD2-O 3.48Å; Q231-F237 WeakPolarHBondContact CA-O 3.34Å
232	T	97.9	Very high	96.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.			trans	-66.6	158.4	170.3	59.8	0	0	0	0	110.6	D48 V173 T174 K234 R235 S236 F237 L239	D48-T232 WeakPolarHBondContact OD2-CB 3.3Å; D48-T232 PolarHBondContact OD2-OG1 3.37Å; V173-T232 HydrophobicContact CB-CG2 4.25Å; V173-T232 HydrophobicContact CG1-CG2 4.28Å; T174-T232 CarbonylContact O-C 3.58Å; T174-T232 VanDerWaalsContact O-CA 3.27Å; T174-T232 WeakPolarHBondContact O-CA 3.25Å; T232-K234 VanDerWaalsContact C-N 3.32Å; T232-K234 PolarHBondContact O-N 2.86Å; T232-R235 VanDerWaalsContact O-CA 3.32Å; T232-R235 WeakPolarHBondContact O-CA 3.38Å; T232-R235 PolarHBondContact O-N 2.96Å; T232-S236 PolarHBondContact OG1-N 3.26Å; T232-S236 PolarHBondContact OG1-OG 2.92Å; T232-F237 HydrophobicContact CG2-CB 3.91Å; T232-F237 HydrophobicContact CG2-CD2 4.35Å; T232-F237 PolarHBondContact N-O 3.16Å; T232-F237 VanDerWaalsContact N-O 3.11Å; T232-F237 PolarHBondContact OG1-N 2.97Å; T232-F237 VanDerWaalsContact OG1-N 3.15Å; T232-L239 HydrophobicContact CG2-CD1 4.06Å
233	A	97	Very high	97.2	Very high	24 Å²	24	48.2 Å²	48.2	20%	0.198	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-38.9	-174.3	0	0	0	0	0	112.8	D48 T139 T174 E176 R235	D48-A233 PolarHBondContact OD1-N 3.45Å; T139-A233 HydrophobicContact CG2-CB 4.17Å; T174-A233 HydrophobicContact CG2-CB 3.78Å; T174-A233 PolarHBondContact O-N 2.78Å; E176-A233 HydrophobicContact CG-CB 4.3Å; A233-R235 PolarHBondContact O-N 2.95Å
234	K	96.1	Very high	97.3	Very high	149 Å²	149	44.5 Å²	44.5	65%	0.648	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	8.7	171.9	-54.8	-171.8	-178.8	176.7	0	113.4	D48 T232 S236	D48-K234 HydrophobicContact CB-CB 4.15Å; D48-K234 HydrophobicContact CB-CD 4.15Å; D48-K234 HydrophobicContact CB-CG 4.16Å; D48-K234 VanDerWaalsContact CG-CB 3.49Å; D48-K234 PolarHBondContact OD1-N 3.35Å; D48-K234 WeakPolarHBondContact OD2-CB 3.44Å; T232-K234 VanDerWaalsContact C-N 3.32Å; T232-K234 PolarHBondContact O-N 2.86Å; K234-S236 PolarHBondContact O-N 3.23Å; K234-S236 VanDerWaalsContact O-N 3.16Å
235	R	95.1	Very high	97.3	Very high	164 Å²	164	40.1 Å²	40.1	62%	0.619	20%	0.198	S	C	*	.	S	Bend	trans	55.4	29.6	179.2	-53.2	176.3	-178.7	-118.8	8.1	113.3	T232 A233 F237	T232-R235 VanDerWaalsContact O-CA 3.32Å; T232-R235 WeakPolarHBondContact O-CA 3.38Å; T232-R235 PolarHBondContact O-N 2.96Å; A233-R235 PolarHBondContact O-N 2.95Å; R235-F237 VanDerWaalsContact C-N 3.34Å
236	S	92.8	Very high	97.2	Very high	48 Å²	48	39.9 Å²	39.9	34%	0.336	20%	0.196	S	C	.	.			trans	-74	-28.2	177.2	69.2	0	0	0	0	112.2	D48 W49 T232 K234	D48-S236 VanDerWaalsContact OD2-CB 3.31Å; D48-S236 WeakPolarHBondContact OD2-CB 3.49Å; D48-S236 PolarHBondContact OD2-N 3Å; D48-S236 PolarHBondContact OD2-OG 3.1Å; W49-S236 PolarHBondContact NE1-OG 3.44Å; T232-S236 PolarHBondContact OG1-N 3.26Å; T232-S236 PolarHBondContact OG1-OG 2.92Å; K234-S236 PolarHBondContact O-N 3.23Å; K234-S236 VanDerWaalsContact O-N 3.16Å
237	F	95.3	Very high	97	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	21%	0.209	C	C	.	.			trans	-129.4	141.6	175.1	-67.2	-27	0	0	0	113.2	W49 Q231 T232 R235 L239 I348 D350 L353	W49-F237 HydrophobicContact CB-CD2 4.44Å; W49-F237 HydrophobicContact CB-CE2 4.32Å; W49-F237 AromaticContact CD1-CD2 3.64Å; W49-F237 AromaticContact CD1-CE2 3.51Å; W49-F237 HydrophobicContact CD2-CD2 4.09Å; W49-F237 AromaticContact CD2-CE2 3.22Å; W49-F237 HydrophobicContact CD2-CE2 3.22Å; W49-F237 AromaticContact CD2-CZ 3.64Å; W49-F237 HydrophobicContact CD2-CZ 3.64Å; W49-F237 AromaticContact CE2-CE1 3.98Å; W49-F237 AromaticContact CE2-CE2 3.22Å; W49-F237 AromaticContact CE2-CZ 3.12Å; W49-F237 AromaticContact CE3-CE2 3.75Å; W49-F237 HydrophobicContact CE3-CE2 3.75Å; W49-F237 HydrophobicContact CE3-CZ 4.12Å; W49-F237 AromaticContact CG-CD2 3.82Å; W49-F237 HydrophobicContact CG-CD2 3.82Å; W49-F237 AromaticContact CG-CE2 3.44Å; W49-F237 HydrophobicContact CG-CE2 3.44Å; W49-F237 VanDerWaalsContact CG-CE2 3.44Å; W49-F237 HydrophobicContact CG-CZ 4.2Å; W49-F237 HydrophobicContact CH2-CE2 4.28Å; W49-F237 AromaticContact CH2-CZ 3.79Å; W49-F237 HydrophobicContact CH2-CZ 3.79Å; W49-F237 HydrophobicContact CZ2-CE1 4.04Å; W49-F237 AromaticContact CZ2-CE2 3.8Å; W49-F237 HydrophobicContact CZ2-CE2 3.8Å; W49-F237 AromaticContact CZ2-CZ 3.22Å; W49-F237 HydrophobicContact CZ2-CZ 3.22Å; W49-F237 HydrophobicContact CZ3-CE2 4.26Å; W49-F237 HydrophobicContact CZ3-CZ 4.2Å; W49-F237 AromaticContact NE1-CD2 3.83Å; W49-F237 AromaticContact NE1-CE1 3.89Å; W49-F237 AromaticContact NE1-CE2 3.37Å; W49-F237 AromaticContact NE1-CZ 3.4Å; Q231-F237 WeakPolarHBondContact CA-O 3.34Å; T232-F237 HydrophobicContact CG2-CB 3.91Å; T232-F237 HydrophobicContact CG2-CD2 4.35Å; T232-F237 PolarHBondContact N-O 3.16Å; T232-F237 VanDerWaalsContact N-O 3.11Å; T232-F237 PolarHBondContact OG1-N 2.97Å; T232-F237 VanDerWaalsContact OG1-N 3.15Å; R235-F237 VanDerWaalsContact C-N 3.34Å; F237-L239 HydrophobicContact CB-CD2 3.72Å; F237-L239 HydrophobicContact CB-CG 4.31Å; F237-L239 HydrophobicContact CD2-CD2 4.4Å; F237-I348 HydrophobicContact CB-CG2 3.9Å; F237-I348 HydrophobicContact CD1-CG2 3.82Å; F237-I348 HydrophobicContact CD2-CD1 4.35Å; F237-I348 HydrophobicContact CD2-CG2 3.5Å; F237-I348 HydrophobicContact CE1-CG2 4.19Å; F237-I348 HydrophobicContact CE2-CD1 4.3Å; F237-I348 HydrophobicContact CE2-CG2 3.82Å; F237-I348 HydrophobicContact CG-CG2 3.49Å; F237-I348 VanDerWaalsContact CG-CG2 3.49Å; F237-I348 HydrophobicContact CZ-CG2 4.16Å; F237-D350 HydrophobicContact CD1-CB 3.86Å; F237-D350 HydrophobicContact CE1-CB 3.53Å; F237-D350 VanDerWaalsContact CE1-CG 3.48Å; F237-D350 WeakPolarHBondContact CE1-OD2 3.38Å; F237-D350 HydrophobicContact CZ-CB 4.3Å; F237-L353 HydrophobicContact CE2-CD2 3.94Å; F237-L353 HydrophobicContact CZ-CB 4.5Å; F237-L353 HydrophobicContact CZ-CD2 3.8Å
238	Q	96.3	Very high	96.9	Very high	97 Å²	97	41.8 Å²	41.8	45%	0.453	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.4	158.1	-63.6	-64.9	88	0	0	108.8	Q349	Q238-Q349 PolarHBondContact O-N 2.84Å
239	L	98	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.3	-169.1	-51.9	172.4	0	0	0	110.1	V173 L175 E229 L230 T232 F237 M346 C347 I348	V173-L239 HydrophobicContact CB-CD1 4.28Å; V173-L239 HydrophobicContact CG1-CD1 4.1Å; V173-L239 HydrophobicContact CG1-CD2 4.48Å; V173-L239 HydrophobicContact CG2-CD1 4.32Å; L175-L239 HydrophobicContact CD2-CD1 4.12Å; E229-L239 CarbonylContact C-O 3.29Å; E229-L239 WeakPolarHBondContact CA-O 3.44Å; L230-L239 HydrophobicContact CB-CB 4.01Å; L230-L239 HydrophobicContact CB-CD1 4.18Å; L230-L239 PolarHBondContact N-O 2.82Å; L230-L239 PolarHBondContact O-N 3.36Å; T232-L239 HydrophobicContact CG2-CD1 4.06Å; F237-L239 HydrophobicContact CB-CD2 3.72Å; F237-L239 HydrophobicContact CB-CG 4.31Å; F237-L239 HydrophobicContact CD2-CD2 4.4Å; L239-M346 HydrophobicContact CB-SD 3.98Å; L239-M346 HydrophobicContact CD1-SD 4.03Å; L239-M346 HydrophobicContact CD2-CG 4.44Å; L239-M346 HydrophobicContact CD2-SD 4.49Å; L239-M346 HydrophobicContact CG-SD 4.41Å; L239-C347 CarbonylContact C-O 3.57Å; L239-C347 WeakPolarHBondContact CA-O 3.26Å; L239-I348 HydrophobicContact CD2-CB 4.22Å; L239-I348 HydrophobicContact CD2-CD1 4.43Å; L239-I348 HydrophobicContact CD2-CG1 3.67Å; L239-I348 HydrophobicContact CD2-CG2 4.09Å
240	N	98.2	Very high	96.7	Very high	25 Å²	25	41 Å²	41	13%	0.134	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	110.8	168.8	-73.3	-12.2	0	0	0	108.8	V227 I228 F242 W326 C347	V227-N240 HydrophobicContact CG2-CB 4.18Å; I228-N240 WeakPolarHBondContact O-CA 3.41Å; N240-F242 HydrophobicContact CB-CD2 4.39Å; N240-F242 HydrophobicContact CB-CE2 3.79Å; N240-W326 HydrophobicContact CB-CZ3 4.15Å; N240-W326 VanDerWaalsContact ND2-CH2 3.28Å; N240-W326 WeakPolarHBondContact ND2-CH2 3.07Å; N240-C347 HydrophobicContact CB-CB 4.36Å; N240-C347 PolarHBondContact N-O 2.9Å; N240-C347 PolarHBondContact O-N 2.92Å
241	H	98.7	Very high	96.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	113.7	172.9	-172.5	-84.5	0	0	0	109.8	W142 Q186 V227 I228 M346	W142-H241 HydrophobicContact CH2-CB 4.46Å; W142-H241 AromaticContact CH2-CD2 3.36Å; W142-H241 WeakPolarHBondContact CH2-CD2 3.42Å; W142-H241 AromaticContact CH2-CE1 3.68Å; W142-H241 AromaticContact CH2-CG 3.62Å; W142-H241 AromaticContact CH2-ND1 3.81Å; W142-H241 AromaticContact CH2-NE2 3.4Å; W142-H241 WeakPolarHBondContact CH2-NE2 3.23Å; W142-H241 AromaticContact CZ2-NE2 3.82Å; W142-H241 HydrophobicContact CZ3-CB 4.32Å; W142-H241 AromaticContact CZ3-CD2 3.81Å; W142-H241 AromaticContact CZ3-CG 3.94Å; Q186-H241 PolarHBondContact OE1-ND1 2.94Å; Q186-H241 PolarHBondContact OE1-O 2.86Å; V227-H241 WeakPolarHBondContact CA-O 2.9Å; I228-H241 HydrophobicContact CD1-CB 4.24Å; I228-H241 HydrophobicContact CG1-CB 3.83Å; I228-H241 PolarHBondContact N-O 3Å; I228-H241 PolarHBondContact O-N 3.49Å; H241-M346 HydrophobicContact CB-SD 4.23Å
242	F	98.8	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	134.8	173.1	-68.1	-99.8	0	0	0	109.1	V227 N240 F256 V257 K260 L261 G344 T345 C347	V227-F242 HydrophobicContact CB-CD1 4.25Å; V227-F242 HydrophobicContact CB-CE1 4.36Å; V227-F242 HydrophobicContact CG2-CD1 4.11Å; V227-F242 HydrophobicContact CG2-CD2 4.24Å; V227-F242 HydrophobicContact CG2-CE1 4.04Å; V227-F242 HydrophobicContact CG2-CE2 4.17Å; V227-F242 HydrophobicContact CG2-CG 4.21Å; V227-F242 HydrophobicContact CG2-CZ 4.07Å; N240-F242 HydrophobicContact CB-CD2 4.39Å; N240-F242 HydrophobicContact CB-CE2 3.79Å; F242-F256 HydrophobicContact CB-CD1 4.36Å; F242-F256 HydrophobicContact CB-CE1 4.07Å; F242-F256 AromaticContact CD1-CD1 3.92Å; F242-F256 HydrophobicContact CD1-CD1 3.92Å; F242-F256 HydrophobicContact CD1-CD2 4.44Å; F242-F256 AromaticContact CD1-CE1 3.71Å; F242-F256 HydrophobicContact CD1-CE1 3.71Å; F242-F256 HydrophobicContact CD1-CE2 4.25Å; F242-F256 HydrophobicContact CD1-CG 4.27Å; F242-F256 AromaticContact CD1-CZ 3.88Å; F242-F256 HydrophobicContact CD1-CZ 3.88Å; F242-F256 HydrophobicContact CG-CE1 4.4Å; F242-V257 HydrophobicContact CB-CG2 4.21Å; F242-V257 HydrophobicContact CD1-CG2 3.99Å; F242-V257 HydrophobicContact CD2-CG2 4.33Å; F242-V257 HydrophobicContact CE1-CG2 4.45Å; F242-V257 HydrophobicContact CE2-CG1 4.34Å; F242-V257 HydrophobicContact CG-CG2 3.92Å; F242-V257 HydrophobicContact CZ-CG1 4.4Å; F242-K260 HydrophobicContact CE1-CB 3.61Å; F242-K260 HydrophobicContact CE1-CG 3.65Å; F242-K260 HydrophobicContact CZ-CB 4.09Å; F242-K260 HydrophobicContact CZ-CG 4.02Å; F242-L261 HydrophobicContact CE2-CD2 4.17Å; F242-L261 HydrophobicContact CE2-CG 4.41Å; F242-L261 HydrophobicContact CZ-CD2 3.91Å; F242-L261 HydrophobicContact CZ-CG 4.02Å; F242-G344 CarbonylContact O-C 3.54Å; F242-G344 WeakPolarHBondContact O-CA 3.33Å; F242-T345 HydrophobicContact CB-CG2 4.17Å; F242-T345 HydrophobicContact CD2-CG2 4.44Å; F242-T345 PolarHBondContact N-O 2.83Å; F242-T345 PolarHBondContact O-N 3.21Å; F242-C347 HydrophobicContact CD2-CB 4.43Å; F242-C347 HydrophobicContact CE2-CB 4.08Å; F242-C347 VanDerWaalsContact CE2-SG 3.6Å
243	S	98.5	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.1	173.2	176	0	0	0	0	110.9	Q186 L189 A190 S225 N226	Q186-S243 PolarHBondContact O-OG 3.37Å; L189-S243 WeakPolarHBondContact CD2-O 3.38Å; A190-S243 WeakPolarHBondContact CB-OG 3.4Å; S225-S243 CarbonylContact C-O 3.57Å; S225-S243 VanDerWaalsContact CA-O 3.29Å; S225-S243 WeakPolarHBondContact CA-O 3.4Å; N226-S243 PolarHBondContact N-O 2.92Å; N226-S243 PolarHBondContact O-N 3.35Å
244	K	98	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.2	171.6	66.2	164.8	-172	159	0	110.9	A190 Q224 F248 K250 L252 Q338 F339 R341 G342 G343	A190-K244 WeakPolarHBondContact CA-O 3.29Å; Q224-K244 WeakPolarHBondContact O-CA 3.36Å; K244-F248 HydrophobicContact CB-CB 3.84Å; K244-F248 HydrophobicContact CB-CD1 4.11Å; K244-F248 HydrophobicContact CB-CD2 4.4Å; K244-F248 HydrophobicContact CB-CG 3.85Å; K244-F248 HydrophobicContact CD-CB 4.01Å; K244-F248 HydrophobicContact CD-CD1 3.42Å; K244-F248 VanDerWaalsContact CD-CD1 3.42Å; K244-F248 HydrophobicContact CD-CE1 4.19Å; K244-F248 HydrophobicContact CD-CG 3.94Å; K244-F248 HydrophobicContact CG-CB 4.48Å; K244-F248 HydrophobicContact CG-CD1 4.42Å; K244-K250 PolarHBondContact NZ-O 2.86Å; K244-K250 VanDerWaalsContact NZ-O 3.13Å; K244-L252 HydrophobicContact CD-CB 4.37Å; K244-L252 HydrophobicContact CD-CD1 4.31Å; K244-L252 HydrophobicContact CG-CD1 4.21Å; K244-Q338 PolarHBondContact NZ-O 3.47Å; K244-F339 PolarHBondContact NZ-O 2.89Å; K244-F339 VanDerWaalsContact NZ-O 3.14Å; K244-R341 VanDerWaalsContact CE-O 3.25Å; K244-R341 WeakPolarHBondContact CE-O 3.09Å; K244-G342 CarbonylContact O-C 3.54Å; K244-G342 WeakPolarHBondContact O-CA 3.33Å; K244-G343 WeakPolarHBondContact CG-O 3.38Å; K244-G343 PolarHBondContact N-O 3.48Å; K244-G343 PolarHBondContact O-N 3.06Å
245	S	96.7	Very high	96.8	Very high	9 Å²	9	34.1 Å²	34.1	6%	0.063	18%	0.177	C	C	.	.			trans	-87.6	174	170.1	65.9	0	0	0	0	111.7	L189 Q224 D247 F248	L189-S245 WeakPolarHBondContact O-CA 3.23Å; L189-S245 WeakPolarHBondContact O-CB 3.48Å; Q224-S245 WeakPolarHBondContact CA-OG 3.3Å; Q224-S245 PolarHBondContact O-N 2.79Å; Q224-S245 PolarHBondContact O-OG 3.37Å; S245-D247 PolarHBondContact O-N 3.15Å; S245-D247 PolarHBondContact OG-N 2.91Å; S245-F248 WeakPolarHBondContact O-CB 3.34Å; S245-F248 PolarHBondContact O-N 2.72Å
246	S	94.8	Very high	97	Very high	31 Å²	31	27.6 Å²	27.6	22%	0.217	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.2	-27.6	168.3	51.4	0	0	0	0	113	F248 E340	S246-F248 VanDerWaalsContact C-N 3.29Å; S246-F248 PolarHBondContact O-N 3.23Å; S246-E340 WeakPolarHBondContact CA-O 3.32Å; S246-E340 WeakPolarHBondContact CB-O 3.24Å; S246-E340 CarbonylContact O-C 3.59Å; S246-E340 WeakPolarHBondContact O-CA 3.35Å
247	D	94.7	Very high	97.2	Very high	100 Å²	100	25.3 Å²	25.3	54%	0.535	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-87.5	-2.2	-172	-55.4	-11.1	0	0	0	112.2	Q224 S245 G249	Q224-D247 HydrophobicContact CG-CB 4.13Å; Q224-D247 PolarHBondContact NE2-O 3.03Å; Q224-D247 PolarHBondContact OE1-O 3.33Å; S245-D247 PolarHBondContact O-N 3.15Å; S245-D247 PolarHBondContact OG-N 2.91Å; D247-G249 VanDerWaalsContact C-N 3.34Å; D247-G249 PolarHBondContact O-N 3.17Å
248	F	96.4	Very high	97.4	Very high	25 Å²	25	25.2 Å²	25.2	11%	0.11	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-64.9	-34.9	179.4	-178.4	-106	0	0	0	113.1	K244 S245 S246 K250 D255 F256	K244-F248 HydrophobicContact CB-CB 3.84Å; K244-F248 HydrophobicContact CB-CD1 4.11Å; K244-F248 HydrophobicContact CB-CD2 4.4Å; K244-F248 HydrophobicContact CB-CG 3.85Å; K244-F248 HydrophobicContact CD-CB 4.01Å; K244-F248 HydrophobicContact CD-CD1 3.42Å; K244-F248 VanDerWaalsContact CD-CD1 3.42Å; K244-F248 HydrophobicContact CD-CE1 4.19Å; K244-F248 HydrophobicContact CD-CG 3.94Å; K244-F248 HydrophobicContact CG-CB 4.48Å; K244-F248 HydrophobicContact CG-CD1 4.42Å; S245-F248 WeakPolarHBondContact O-CB 3.34Å; S245-F248 PolarHBondContact O-N 2.72Å; S246-F248 VanDerWaalsContact C-N 3.29Å; S246-F248 PolarHBondContact O-N 3.23Å; F248-K250 VanDerWaalsContact C-N 3.25Å; F248-K250 HydrophobicContact CD1-CB 3.98Å; F248-K250 HydrophobicContact CE1-CB 3.6Å; F248-K250 HydrophobicContact CZ-CB 4.19Å; F248-K250 PolarHBondContact O-N 3.13Å; F248-K250 VanDerWaalsContact O-N 3.1Å; F248-D255 HydrophobicContact CZ-CB 4.33Å; F248-F256 HydrophobicContact CE1-CB 4.43Å; F248-F256 HydrophobicContact CZ-CB 3.81Å; F248-F256 HydrophobicContact CZ-CG 4.4Å
249	G	95.5	Very high	97.4	Very high	39 Å²	39	23.1 Å²	23.1	40%	0.402	13%	0.131	S	C	.	.			trans	65	14.7	167.9	0	0	0	0	0	116.9	D247 F339	D247-G249 VanDerWaalsContact C-N 3.34Å; D247-G249 PolarHBondContact O-N 3.17Å; G249-F339 PolarHBondContact N-O 2.74Å
250	K	96.5	Very high	97.3	Very high	117 Å²	117	29 Å²	29	51%	0.509	16%	0.157	S	C	.	.	S	Bend	trans	-140.1	172.3	-175.4	-62.9	178.6	-173.7	173.4	0	113.5	K244 F248 L252 D255	K244-K250 PolarHBondContact NZ-O 2.86Å; K244-K250 VanDerWaalsContact NZ-O 3.13Å; F248-K250 VanDerWaalsContact C-N 3.25Å; F248-K250 HydrophobicContact CD1-CB 3.98Å; F248-K250 HydrophobicContact CE1-CB 3.6Å; F248-K250 HydrophobicContact CZ-CB 4.19Å; F248-K250 PolarHBondContact O-N 3.13Å; F248-K250 VanDerWaalsContact O-N 3.1Å; K250-L252 PolarHBondContact O-N 3.19Å; K250-D255 HydrophobicContact CB-CB 3.87Å; K250-D255 HydrophobicContact CD-CB 4.18Å
251	D	96.9	Very high	97.2	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.016	16%	0.155	C	C	.	.			trans	-67	121.7	175.5	179.3	-0.5	0	0	0	109.7	Y253 A254 D255 I276 R334 F339	D251-Y253 PolarHBondContact O-N 3Å; D251-Y253 PolarHBondContact OD1-N 3Å; D251-A254 HydrophobicContact CB-CB 4.12Å; D251-A254 VanDerWaalsContact OD2-CB 3.25Å; D251-A254 WeakPolarHBondContact OD2-CB 3.26Å; D251-A254 PolarHBondContact OD2-N 2.89Å; D251-D255 PolarHBondContact N-OD2 3.14Å; D251-D255 VanDerWaalsContact O-CB 3.3Å; D251-D255 WeakPolarHBondContact O-CB 3.36Å; D251-D255 PolarHBondContact O-N 2.83Å; D251-I276 HydrophobicContact CB-CD1 4.21Å; D251-I276 WeakPolarHBondContact OD2-CD1 3.4Å; D251-R334 IonicContact OD1-NE 3.73Å; D251-R334 IonicContact OD2-CZ 2.8Å; D251-R334 IonicContact OD2-NE 3.57Å; D251-R334 PolarHBondContact OD2-NE 2.64Å; D251-R334 IonicContact OD2-NH2 2.7Å; D251-R334 PolarHBondContact OD2-NH2 2.74Å; D251-F339 HydrophobicContact CB-CE1 3.84Å; D251-F339 HydrophobicContact CB-CZ 4.22Å
252	L	98.2	Very high	97	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-53.9	-44.3	177.4	175.8	65.7	0	0	0	111.1	K244 K250 F256 V257 I332 T345	K244-L252 HydrophobicContact CD-CB 4.37Å; K244-L252 HydrophobicContact CD-CD1 4.31Å; K244-L252 HydrophobicContact CG-CD1 4.21Å; K250-L252 PolarHBondContact O-N 3.19Å; L252-F256 HydrophobicContact CD1-CD1 3.96Å; L252-F256 VanDerWaalsContact O-CB 3.29Å; L252-F256 WeakPolarHBondContact O-CB 3.47Å; L252-F256 PolarHBondContact O-N 3.46Å; L252-V257 HydrophobicContact CD1-CG2 4.23Å; L252-V257 HydrophobicContact CG-CG2 4.07Å; L252-V257 WeakPolarHBondContact O-CG2 2.88Å; L252-V257 PolarHBondContact O-N 3.39Å; L252-I332 HydrophobicContact CB-CB 4.41Å; L252-I332 HydrophobicContact CB-CG2 4.02Å; L252-I332 HydrophobicContact CD2-CB 3.76Å; L252-I332 HydrophobicContact CD2-CG1 3.95Å; L252-I332 HydrophobicContact CD2-CG2 4.29Å; L252-T345 HydrophobicContact CD2-CG2 4.17Å
253	Y	98.5	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-80.6	-51.7	-172	-65.8	-76.4	0	0	0	111.7	D251 V257 A258 L265 T267 T269 A311 I332 R334 T345	D251-Y253 PolarHBondContact O-N 3Å; D251-Y253 PolarHBondContact OD1-N 3Å; Y253-V257 HydrophobicContact CD1-CB 4.32Å; Y253-V257 HydrophobicContact CD1-CG2 4.26Å; Y253-V257 PolarHBondContact O-N 3.44Å; Y253-A258 VanDerWaalsContact O-CB 3.31Å; Y253-A258 WeakPolarHBondContact O-CB 3.16Å; Y253-A258 PolarHBondContact O-N 3.3Å; Y253-L265 HydrophobicContact CD1-CD1 4.03Å; Y253-T267 HydrophobicContact CD1-CG2 4.13Å; Y253-T267 HydrophobicContact CD2-CG2 4.38Å; Y253-T267 HydrophobicContact CG-CG2 3.96Å; Y253-T269 HydrophobicContact CE2-CG2 4.17Å; Y253-A311 HydrophobicContact CD1-CB 3.89Å; Y253-A311 HydrophobicContact CE1-CB 3.66Å; Y253-I332 WeakPolarHBondContact CE2-O 3.31Å; Y253-R334 HydrophobicContact CD2-CG 3.96Å; Y253-R334 HydrophobicContact CE2-CG 4.47Å; Y253-T345 HydrophobicContact CE1-CG2 4.14Å
254	A	97.8	Very high	96.8	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.017	19%	0.194	C	C	.	.	I	π-helix	trans	-73.9	-30.7	-175.3	0	0	0	0	0	114.1	D251 P259 A279 R282 V286	D251-A254 HydrophobicContact CB-CB 4.12Å; D251-A254 VanDerWaalsContact OD2-CB 3.25Å; D251-A254 WeakPolarHBondContact OD2-CB 3.26Å; D251-A254 PolarHBondContact OD2-N 2.89Å; A254-P259 WeakPolarHBondContact O-CD 3.49Å; A254-P259 WeakPolarHBondContact O-CG 3.16Å; A254-A279 HydrophobicContact CB-CB 3.93Å; A254-R282 PolarHBondContact O-NH1 3.23Å; A254-V286 HydrophobicContact CB-CB 4.1Å; A254-V286 HydrophobicContact CB-CG2 3.89Å
255	D	97.9	Very high	96.8	Very high	54 Å²	54	36.8 Å²	36.8	29%	0.289	19%	0.194	S	C	.	.	I	π-helix	trans	-103.2	-13.7	-175.8	-62.4	-66.4	0	0	0	114.1	F248 K250 D251 R282	F248-D255 HydrophobicContact CZ-CB 4.33Å; K250-D255 HydrophobicContact CB-CB 3.87Å; K250-D255 HydrophobicContact CD-CB 4.18Å; D251-D255 PolarHBondContact N-OD2 3.14Å; D251-D255 VanDerWaalsContact O-CB 3.3Å; D251-D255 WeakPolarHBondContact O-CB 3.36Å; D251-D255 PolarHBondContact O-N 2.83Å; D255-R282 IonicContact OD1-CZ 3.22Å; D255-R282 IonicContact OD1-NH1 3.85Å; D255-R282 PolarHBondContact OD1-NH1 2.85Å; D255-R282 IonicContact OD1-NH2 2.74Å; D255-R282 PolarHBondContact OD1-NH2 2.79Å; D255-R282 IonicContact OD2-NH1 2.65Å
256	F	98.2	Very high	96.8	Very high	26 Å²	26	36.9 Å²	36.9	11%	0.114	19%	0.194	C	C	.	.	I	π-helix	trans	-127.4	-60.9	-179.3	-169.1	-151.3	0	0	0	113.8	V227 F242 F248 L252 K260	V227-F256 HydrophobicContact CB-CZ 4.44Å; F242-F256 HydrophobicContact CB-CD1 4.36Å; F242-F256 HydrophobicContact CB-CE1 4.07Å; F242-F256 AromaticContact CD1-CD1 3.92Å; F242-F256 HydrophobicContact CD1-CD1 3.92Å; F242-F256 HydrophobicContact CD1-CD2 4.44Å; F242-F256 AromaticContact CD1-CE1 3.71Å; F242-F256 HydrophobicContact CD1-CE1 3.71Å; F242-F256 HydrophobicContact CD1-CE2 4.25Å; F242-F256 HydrophobicContact CD1-CG 4.27Å; F242-F256 AromaticContact CD1-CZ 3.88Å; F242-F256 HydrophobicContact CD1-CZ 3.88Å; F242-F256 HydrophobicContact CG-CE1 4.4Å; F248-F256 HydrophobicContact CE1-CB 4.43Å; F248-F256 HydrophobicContact CZ-CB 3.81Å; F248-F256 HydrophobicContact CZ-CG 4.4Å; L252-F256 HydrophobicContact CD1-CD1 3.96Å; L252-F256 VanDerWaalsContact O-CB 3.29Å; L252-F256 WeakPolarHBondContact O-CB 3.47Å; L252-F256 PolarHBondContact O-N 3.46Å; F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 PolarHBondContact O-N 3.22Å; F256-K260 VanDerWaalsContact O-N 3.11Å
257	V	98.5	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-66.7	-55.1	-172.2	-178.9	0	0	0	0	111.8	F242 L252 Y253 K260 L261 L265 T345	F242-V257 HydrophobicContact CB-CG2 4.21Å; F242-V257 HydrophobicContact CD1-CG2 3.99Å; F242-V257 HydrophobicContact CD2-CG2 4.33Å; F242-V257 HydrophobicContact CE1-CG2 4.45Å; F242-V257 HydrophobicContact CE2-CG1 4.34Å; F242-V257 HydrophobicContact CG-CG2 3.92Å; F242-V257 HydrophobicContact CZ-CG1 4.4Å; L252-V257 HydrophobicContact CD1-CG2 4.23Å; L252-V257 HydrophobicContact CG-CG2 4.07Å; L252-V257 WeakPolarHBondContact O-CG2 2.88Å; L252-V257 PolarHBondContact O-N 3.39Å; Y253-V257 HydrophobicContact CD1-CB 4.32Å; Y253-V257 HydrophobicContact CD1-CG2 4.26Å; Y253-V257 PolarHBondContact O-N 3.44Å; V257-K260 PolarHBondContact O-N 3.22Å; V257-L261 HydrophobicContact CG1-CD1 3.73Å; V257-L261 HydrophobicContact CG1-CG 4.21Å; V257-L261 WeakPolarHBondContact O-CB 2.98Å; V257-L261 WeakPolarHBondContact O-CG 3.47Å; V257-L261 PolarHBondContact O-N 3.22Å; V257-L265 HydrophobicContact CB-CD1 4.18Å; V257-L265 HydrophobicContact CG1-CD1 3.88Å; V257-T345 HydrophobicContact CG2-CG2 3.77Å
258	A	97.5	Very high	97.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.1	-46.5	-177.2	0	0	0	0	0	112.8	Y253 K260 K262 K263 L265 V286	Y253-A258 VanDerWaalsContact O-CB 3.31Å; Y253-A258 WeakPolarHBondContact O-CB 3.16Å; Y253-A258 PolarHBondContact O-N 3.3Å; A258-K260 PolarHBondContact O-N 3.03Å; A258-K262 WeakPolarHBondContact O-CA 3.37Å; A258-K262 PolarHBondContact O-N 2.91Å; A258-K263 WeakPolarHBondContact CA-O 3.36Å; A258-K263 VanDerWaalsContact CB-O 3.24Å; A258-K263 WeakPolarHBondContact CB-O 3.25Å; A258-K263 PolarHBondContact O-N 3.1Å; A258-K263 VanDerWaalsContact O-N 3.11Å; A258-L265 HydrophobicContact CB-CD1 3.82Å; A258-L265 HydrophobicContact CB-CG 3.94Å; A258-V286 HydrophobicContact CB-CG2 3.67Å
259	P	96.7	Very high	97	Very high	53 Å²	53	29.5 Å²	29.5	34%	0.344	15%	0.153	S	C	.	.	H	α-helix	trans	-60.8	-40.3	173.8	-25.8	35.8	0	0	0	114.1	A254 K262	A254-P259 WeakPolarHBondContact O-CD 3.49Å; A254-P259 WeakPolarHBondContact O-CG 3.16Å; P259-K262 PolarHBondContact O-N 3.12Å
260	K	97	Very high	96.7	Very high	125 Å²	125	29.8 Å²	29.8	54%	0.543	14%	0.142	S	C	.	.	H	α-helix	trans	-72.8	-40.1	-177.5	-169.4	68	166.6	-179.5	0	112.3	F242 F256 V257 A258 K262	F242-K260 HydrophobicContact CE1-CB 3.61Å; F242-K260 HydrophobicContact CE1-CG 3.65Å; F242-K260 HydrophobicContact CZ-CB 4.09Å; F242-K260 HydrophobicContact CZ-CG 4.02Å; F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 PolarHBondContact O-N 3.22Å; F256-K260 VanDerWaalsContact O-N 3.11Å; V257-K260 PolarHBondContact O-N 3.22Å; A258-K260 PolarHBondContact O-N 3.03Å; K260-K262 PolarHBondContact O-N 2.95Å
261	L	95.8	Very high	96.3	Very high	16 Å²	16	26 Å²	26	8%	0.084	13%	0.126	C	C	.	.	H	α-helix	trans	-74.9	-13.9	173.4	-65.3	-176	0	0	0	112.7	F242 V257 K263 T313 W326	F242-L261 HydrophobicContact CE2-CD2 4.17Å; F242-L261 HydrophobicContact CE2-CG 4.41Å; F242-L261 HydrophobicContact CZ-CD2 3.91Å; F242-L261 HydrophobicContact CZ-CG 4.02Å; V257-L261 HydrophobicContact CG1-CD1 3.73Å; V257-L261 HydrophobicContact CG1-CG 4.21Å; V257-L261 WeakPolarHBondContact O-CB 2.98Å; V257-L261 WeakPolarHBondContact O-CG 3.47Å; V257-L261 PolarHBondContact O-N 3.22Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 HydrophobicContact CB-CB 4.31Å; L261-K263 WeakPolarHBondContact O-CG 3.45Å; L261-K263 PolarHBondContact O-N 3.22Å; L261-T313 HydrophobicContact CD1-CG2 4.43Å; L261-W326 HydrophobicContact CD1-CB 4.12Å; L261-W326 HydrophobicContact CD1-CG 4.1Å; L261-W326 HydrophobicContact CD2-CD2 4.04Å; L261-W326 HydrophobicContact CD2-CE3 4.43Å; L261-W326 HydrophobicContact CD2-CG 4.34Å; L261-W326 HydrophobicContact CD2-CZ2 4.4Å
262	K	95.1	Very high	95.7	Very high	138 Å²	138	30.5 Å²	30.5	60%	0.6	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	42.7	-173.4	-60.6	179.6	-177.1	176.3	0	112.3	A258 P259 K260 Y284	A258-K262 WeakPolarHBondContact O-CA 3.37Å; A258-K262 PolarHBondContact O-N 2.91Å; P259-K262 PolarHBondContact O-N 3.12Å; K260-K262 PolarHBondContact O-N 2.95Å; K262-Y284 VanDerWaalsContact C-CD1 3.43Å; K262-Y284 HydrophobicContact CB-CE1 4.09Å; K262-Y284 HydrophobicContact CB-CE2 4.26Å; K262-Y284 WeakPolarHBondContact CB-OH 3.49Å; K262-Y284 HydrophobicContact CG-CE2 4.45Å; K262-Y284 WeakPolarHBondContact O-CE1 3.42Å
263	K	95.7	Very high	95	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.017	18%	0.175	C	C	.	.	S	Bend	trans	-142.5	140.1	-174.5	-71.1	-67.3	-172	156.8	0	111.3	A258 L261 T313 D322 N324	A258-K263 WeakPolarHBondContact CA-O 3.36Å; A258-K263 VanDerWaalsContact CB-O 3.24Å; A258-K263 WeakPolarHBondContact CB-O 3.25Å; A258-K263 PolarHBondContact O-N 3.1Å; A258-K263 VanDerWaalsContact O-N 3.11Å; L261-K263 VanDerWaalsContact C-N 3.28Å; L261-K263 HydrophobicContact CB-CB 4.31Å; L261-K263 WeakPolarHBondContact O-CG 3.45Å; L261-K263 PolarHBondContact O-N 3.22Å; K263-T313 HydrophobicContact CB-CG2 3.63Å; K263-T313 HydrophobicContact CG-CG2 3.92Å; K263-D322 WeakPolarHBondContact CE-O 3.29Å; K263-D322 PolarHBondContact NZ-O 2.76Å; K263-N324 VanDerWaalsContact CE-O 3.26Å; K263-N324 WeakPolarHBondContact CE-O 3.21Å; K263-N324 PolarHBondContact NZ-O 2.87Å
264	S	96.1	Very high	94.3	Very high	29 Å²	29	37.6 Å²	37.6	20%	0.203	19%	0.193	C	C	.	.			trans	-67.9	151	164.8	-65.7	0	0	0	0	110	S285 T313 V314	S264-S285 CarbonylContact C-O 3.57Å; S264-S285 WeakPolarHBondContact CA-O 3.45Å; S264-S285 VanDerWaalsContact CB-O 3.28Å; S264-S285 WeakPolarHBondContact CB-O 3.18Å; S264-S285 WeakPolarHBondContact CB-OG 3.41Å; S264-S285 PolarHBondContact OG-N 3.29Å; S264-S285 PolarHBondContact OG-OG 2.82Å; S264-S285 VanDerWaalsContact OG-OG 3.13Å; S264-T313 CarbonylContact O-C 3.44Å; S264-T313 WeakPolarHBondContact O-CA 3.46Å; S264-V314 PolarHBondContact O-N 3.24Å
265	L	97.9	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	142.4	-177.2	-56.4	176.7	0	0	0	111.3	Y253 V257 A258 T267 S285 V286 K287 A311 V312 T313	Y253-L265 HydrophobicContact CD1-CD1 4.03Å; V257-L265 HydrophobicContact CB-CD1 4.18Å; V257-L265 HydrophobicContact CG1-CD1 3.88Å; A258-L265 HydrophobicContact CB-CD1 3.82Å; A258-L265 HydrophobicContact CB-CG 3.94Å; L265-T267 HydrophobicContact CB-CG2 4.08Å; L265-S285 PolarHBondContact N-O 3.44Å; L265-V286 HydrophobicContact CB-CG1 4.34Å; L265-V286 HydrophobicContact CB-CG2 4.3Å; L265-V286 HydrophobicContact CD1-CG2 4.45Å; L265-V286 CarbonylContact O-C 3.57Å; L265-V286 WeakPolarHBondContact O-CA 3.45Å; L265-K287 PolarHBondContact O-N 3.31Å; L265-A311 HydrophobicContact CB-CB 4.5Å; L265-A311 HydrophobicContact CD1-CB 4.35Å; L265-V312 CarbonylContact C-O 3.59Å; L265-V312 VanDerWaalsContact CA-O 3.3Å; L265-V312 WeakPolarHBondContact CA-O 3.44Å; L265-T313 HydrophobicContact CD2-CG2 3.72Å
266	D	98	Very high	93.8	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	128.3	158.3	-64.5	-29.6	0	0	0	107.7	K287 I289 A311 V312 V364	D266-K287 CarbonylContact C-O 3.56Å; D266-I289 HydrophobicContact CB-CD1 4.02Å; D266-I289 HydrophobicContact CB-CG1 3.92Å; D266-A311 CarbonylContact O-C 3.57Å; D266-A311 VanDerWaalsContact O-CA 3.23Å; D266-A311 WeakPolarHBondContact O-CA 3.15Å; D266-V312 HydrophobicContact CB-CG2 4.08Å; D266-V312 PolarHBondContact N-O 3.12Å; D266-V312 PolarHBondContact O-N 3.47Å; D266-V364 HydrophobicContact CB-CG1 4.26Å
267	T	98	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.1	-166.6	55.7	0	0	0	0	111.9	Y253 L265 V286 K287 I289 W310 A311 R334	Y253-T267 HydrophobicContact CD1-CG2 4.13Å; Y253-T267 HydrophobicContact CD2-CG2 4.38Å; Y253-T267 HydrophobicContact CG-CG2 3.96Å; L265-T267 HydrophobicContact CB-CG2 4.08Å; T267-V286 HydrophobicContact CG2-CG1 3.44Å; T267-V286 VanDerWaalsContact CG2-CG1 3.44Å; T267-K287 PolarHBondContact N-O 3.28Å; T267-K287 PolarHBondContact OG1-O 2.96Å; T267-I289 PolarHBondContact O-N 3.16Å; T267-W310 CarbonylContact C-O 3.59Å; T267-W310 WeakPolarHBondContact CA-O 3.02Å; T267-A311 HydrophobicContact CG2-CB 3.73Å; T267-R334 WeakPolarHBondContact OG1-CD 3.23Å; T267-R334 PolarHBondContact OG1-NH1 3.11Å
268	E	97.5	Very high	93.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.8	170.2	177.1	63.7	-162.1	0	0	107	I289 N303 D306 K309 W310	E268-I289 HydrophobicContact CB-CB 4.22Å; E268-I289 HydrophobicContact CB-CD1 3.95Å; E268-I289 WeakPolarHBondContact OE2-CB 3.47Å; E268-I289 WeakPolarHBondContact OE2-CG2 3.34Å; E268-N303 WeakPolarHBondContact OE1-CA 3.4Å; E268-D306 WeakPolarHBondContact OE1-CB 3.41Å; E268-K309 CarbonylContact O-C 3.56Å; E268-K309 VanDerWaalsContact O-CA 3.23Å; E268-K309 WeakPolarHBondContact O-CA 3.3Å; E268-W310 HydrophobicContact CB-CD2 3.84Å; E268-W310 VanDerWaalsContact CB-CE2 3.42Å; E268-W310 HydrophobicContact CB-CE3 4.49Å; E268-W310 HydrophobicContact CB-CG 4.16Å; E268-W310 HydrophobicContact CB-CH2 4.48Å; E268-W310 HydrophobicContact CB-CZ2 3.82Å; E268-W310 HydrophobicContact CG-CZ2 4.27Å; E268-W310 PolarHBondContact N-O 3.05Å; E268-W310 PolarHBondContact O-N 3.14Å
269	T	93.4	Very high	93.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.			trans	-141.5	154.9	174.1	68.4	0	0	0	0	109.3	Y253 Q271 A308 N333 R334	Y253-T269 HydrophobicContact CE2-CG2 4.17Å; T269-Q271 WeakPolarHBondContact O-CG 3.42Å; T269-Q271 PolarHBondContact O-N 3.21Å; T269-A308 WeakPolarHBondContact CA-O 3.4Å; T269-N333 HydrophobicContact CG2-CB 4.49Å; T269-R334 HydrophobicContact CG2-CG 4.05Å; T269-R334 PolarHBondContact OG1-N 2.87Å
270	W	89	Confident	93.2	Very high	45 Å²	45	41.3 Å²	41.3	17%	0.17	22%	0.224	C	C	.	.			trans	-57.6	122.6	178.8	-171.1	35.3	0	0	0	112.1	H272 D273 D306 H307	W270-H272 HydrophobicContact CZ2-CB 3.88Å; W270-D273 WeakPolarHBondContact CH2-OD2 2.99Å; W270-D306 VanDerWaalsContact CA-O 3.3Å; W270-D306 WeakPolarHBondContact CA-O 3.42Å; W270-D306 WeakPolarHBondContact CB-O 3.32Å; W270-H307 AromaticContact CD1-CD2 3.68Å; W270-H307 AromaticContact CD2-CD2 3.77Å; W270-H307 AromaticContact CD2-NE2 3.73Å; W270-H307 AromaticContact CE2-CD2 3.64Å; W270-H307 AromaticContact CE2-NE2 3.28Å; W270-H307 VanDerWaalsContact CE2-NE2 3.28Å; W270-H307 AromaticContact CG-CD2 3.84Å; W270-H307 AromaticContact CZ2-NE2 3.47Å; W270-H307 WeakPolarHBondContact CZ2-NE2 3.3Å; W270-H307 AromaticContact NE1-CD2 3.5Å; W270-H307 AromaticContact NE1-NE2 3.52Å
271	Q	88.1	Confident	92.8	Very high	37 Å²	37	40.6 Å²	40.6	17%	0.173	22%	0.222	C	C	.	.			trans	-119.5	13	-178.8	-51.1	-171.8	24.6	0	0	114	T269 D273 G274 I289 N303	T269-Q271 WeakPolarHBondContact O-CG 3.42Å; T269-Q271 PolarHBondContact O-N 3.21Å; Q271-D273 VanDerWaalsContact C-N 3.33Å; Q271-D273 PolarHBondContact O-N 2.87Å; Q271-G274 PolarHBondContact O-N 2.87Å; Q271-G274 VanDerWaalsContact O-N 3.16Å; Q271-I289 PolarHBondContact NE2-O 3.27Å; Q271-I289 VanDerWaalsContact NE2-O 3.13Å; Q271-N303 HydrophobicContact CB-CB 4.5Å; Q271-N303 HydrophobicContact CG-CB 4.17Å; Q271-N303 PolarHBondContact NE2-ND2 3.38Å; Q271-N303 PolarHBondContact OE1-ND2 3.02Å; Q271-N303 VanDerWaalsContact OE1-ND2 3.1Å
272	H	84.5	Confident	92.7	Very high	99 Å²	99	45.4 Å²	45.4	46%	0.458	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-43.8	-176.1	-174.7	75	0	0	0	112.8	W270 G274	W270-H272 HydrophobicContact CZ2-CB 3.88Å; H272-G274 VanDerWaalsContact C-N 3.31Å; H272-G274 PolarHBondContact O-N 3.22Å
273	D	83.1	Confident	92.6	Very high	111 Å²	111	46.2 Å²	46.2	59%	0.594	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.9	27.4	-180	-57.8	-40	0	0	0	112.3	W270 Q271	W270-D273 WeakPolarHBondContact CH2-OD2 2.99Å; Q271-D273 VanDerWaalsContact C-N 3.33Å; Q271-D273 PolarHBondContact O-N 2.87Å
274	G	85.1	Confident	92.6	Very high	38 Å²	38	47.5 Å²	47.5	39%	0.392	25%	0.25	S	S	.	.			trans	91.5	172.6	-175.6	0	0	0	0	0	113.5	Q271 H272 Q335	Q271-G274 PolarHBondContact O-N 2.87Å; Q271-G274 VanDerWaalsContact O-N 3.16Å; H272-G274 VanDerWaalsContact C-N 3.31Å; H272-G274 PolarHBondContact O-N 3.22Å; G274-Q335 WeakPolarHBondContact O-CG 3.41Å; G274-Q335 PolarHBondContact O-NE2 3.49Å
275	S	90.4	Very high	92.5	Very high	33 Å²	33	47.1 Å²	47.1	23%	0.231	25%	0.247	C	C	.	.			trans	-159.9	158.6	178	179.7	0	0	0	0	108.3	R334	S275-R334 PolarHBondContact OG-O 2.04Å
276	I	93.7	Very high	92.5	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.185	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-65.3	149.1	163.4	60.5	160.7	0	0	0	110	D251 N288 R334 P336 F339	D251-I276 HydrophobicContact CB-CD1 4.21Å; D251-I276 WeakPolarHBondContact OD2-CD1 3.4Å; I276-N288 PolarHBondContact O-ND2 2.65Å; I276-R334 HydrophobicContact CG1-CB 4.12Å; I276-R334 WeakPolarHBondContact CG1-O 3.45Å; I276-R334 PolarHBondContact N-O 2.82Å; I276-P336 HydrophobicContact CG2-CG 3.74Å; I276-F339 HydrophobicContact CD1-CZ 4.09Å; I276-F339 HydrophobicContact CG2-CZ 3.9Å
277	P	94.1	Very high	92.5	Very high	88 Å²	88	49.4 Å²	49.4	57%	0.571	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-66.5	164.9	175.1	29.4	-36.3	0	0	0	111.2	A279	P277-A279 PolarHBondContact O-N 2.55Å
278	S	96.1	Very high	92.4	Very high	16 Å²	16	49.4 Å²	49.4	11%	0.112	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-53.5	128.4	174.6	-71.7	0	0	0	0	112.5	C280 V286 K287 N288 E365	S278-C280 PolarHBondContact O-N 2.57Å; S278-V286 CarbonylContact C-O 3.52Å; S278-V286 WeakPolarHBondContact CA-O 3.44Å; S278-K287 WeakPolarHBondContact OG-CA 3.26Å; S278-N288 PolarHBondContact N-ND2 3.1Å; S278-N288 PolarHBondContact OG-N 2.82Å; S278-E365 WeakPolarHBondContact CB-OE2 3.26Å; S278-E365 PolarHBondContact N-OE2 3.15Å; S278-E365 WeakPolarHBondContact OG-CB 3.33Å; S278-E365 PolarHBondContact OG-OE2 3.3Å
279	A	95.6	Very high	92.4	Very high	20 Å²	20	49.4 Å²	49.4	17%	0.165	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-85.6	77.8	-179.3	0	0	0	0	0	109.8	A254 P277 S285 V286	A254-A279 HydrophobicContact CB-CB 3.93Å; P277-A279 PolarHBondContact O-N 2.55Å; A279-S285 VanDerWaalsContact O-CA 3.26Å; A279-S285 WeakPolarHBondContact O-CA 3.27Å; A279-V286 HydrophobicContact CB-CB 4.36Å; A279-V286 PolarHBondContact N-O 3.03Å; A279-V286 PolarHBondContact O-N 3.33Å
280	C	93.1	Very high	92.6	Very high	21 Å²	21	51.8 Å²	51.8	14%	0.142	27%	0.268	C	S	.	.			trans	-85	-34.3	-169.9	-66.1	0	0	0	0	115.1	S278 R282 C367	S278-C280 PolarHBondContact O-N 2.57Å; C280-R282 VanDerWaalsContact C-N 3.35Å; C280-R282 PolarHBondContact O-N 3.15Å; C280-R282 VanDerWaalsContact O-N 3.15Å; C280-C367 HydrophobicContact CB-CB 3.58Å; C280-C367 WeakPolarHBondContact CB-SG 3.19Å; C280-C367 WeakPolarHBondContact SG-CA 3.3Å; C280-C367 WeakPolarHBondContact SG-CB 3.46Å; C280-C367 CovalentContact SG-SG 2.02Å; C280-C367 PolarHBondContact SG-SG 2.97Å
281	H	89.5	Confident	93	Very high	110 Å²	110	50.3 Å²	50.3	51%	0.509	27%	0.265	S	S	.	.	S	Bend	trans	-94.5	63.5	-169.6	-56.8	-54.9	0	0	0	111.5	Y372	H281-Y372 AromaticContact CD2-CE2 3.97Å; H281-Y372 AromaticContact CE1-CE2 3.59Å; H281-Y372 AromaticContact CG-CE2 4Å; H281-Y372 AromaticContact ND1-CE2 3.76Å; H281-Y372 AromaticContact NE2-CE2 3.72Å
282	R	93	Very high	93.5	Very high	117 Å²	117	48.6 Å²	48.6	44%	0.442	26%	0.257	S	S	.	.	S	Bend	trans	-143.6	168.5	-179.4	-51.8	-172.1	72.2	157.2	0.3	109.4	A254 D255 C280 Y284	A254-R282 PolarHBondContact O-NH1 3.23Å; D255-R282 IonicContact OD1-CZ 3.22Å; D255-R282 IonicContact OD1-NH1 3.85Å; D255-R282 PolarHBondContact OD1-NH1 2.85Å; D255-R282 IonicContact OD1-NH2 2.74Å; D255-R282 PolarHBondContact OD1-NH2 2.79Å; D255-R282 IonicContact OD2-NH1 2.65Å; C280-R282 VanDerWaalsContact C-N 3.35Å; C280-R282 PolarHBondContact O-N 3.15Å; C280-R282 VanDerWaalsContact O-N 3.15Å; R282-Y284 PolarHBondContact O-N 3.48Å
283	Q	92.7	Very high	94.1	Very high	155 Å²	155	48 Å²	48	72%	0.724	25%	0.251	S	S	*	.	S	Bend	trans	-56.3	-39.3	173.9	-176.2	178.2	1.3	0	0	112
284	Y	94.9	Very high	94.7	Very high	30 Å²	30	42.9 Å²	42.9	12%	0.118	22%	0.223	C	C	.	.	S	Bend	trans	-124.1	118.7	173.8	-52.7	-68.1	0	0	0	108.7	K262 R282	K262-Y284 VanDerWaalsContact C-CD1 3.43Å; K262-Y284 HydrophobicContact CB-CE1 4.09Å; K262-Y284 HydrophobicContact CB-CE2 4.26Å; K262-Y284 WeakPolarHBondContact CB-OH 3.49Å; K262-Y284 HydrophobicContact CG-CE2 4.45Å; K262-Y284 WeakPolarHBondContact O-CE1 3.42Å; R282-Y284 PolarHBondContact O-N 3.48Å
285	S	95.8	Very high	95.1	Very high	21 Å²	21	50.2 Å²	50.2	15%	0.147	24%	0.239	C	C	.	.			trans	-78	148.1	-179.5	63	0	0	0	0	111.3	S264 L265 A279	S264-S285 CarbonylContact C-O 3.57Å; S264-S285 WeakPolarHBondContact CA-O 3.45Å; S264-S285 VanDerWaalsContact CB-O 3.28Å; S264-S285 WeakPolarHBondContact CB-O 3.18Å; S264-S285 WeakPolarHBondContact CB-OG 3.41Å; S264-S285 PolarHBondContact OG-N 3.29Å; S264-S285 PolarHBondContact OG-OG 2.82Å; S264-S285 VanDerWaalsContact OG-OG 3.13Å; L265-S285 PolarHBondContact N-O 3.44Å; A279-S285 VanDerWaalsContact O-CA 3.26Å; A279-S285 WeakPolarHBondContact O-CA 3.27Å
286	V	97.4	Very high	95.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	104.8	171.4	-177.3	0	0	0	0	109.2	A254 A258 L265 T267 S278 A279 R334	A254-V286 HydrophobicContact CB-CB 4.1Å; A254-V286 HydrophobicContact CB-CG2 3.89Å; A258-V286 HydrophobicContact CB-CG2 3.67Å; L265-V286 HydrophobicContact CB-CG1 4.34Å; L265-V286 HydrophobicContact CB-CG2 4.3Å; L265-V286 HydrophobicContact CD1-CG2 4.45Å; L265-V286 CarbonylContact O-C 3.57Å; L265-V286 WeakPolarHBondContact O-CA 3.45Å; T267-V286 HydrophobicContact CG2-CG1 3.44Å; T267-V286 VanDerWaalsContact CG2-CG1 3.44Å; S278-V286 CarbonylContact C-O 3.52Å; S278-V286 WeakPolarHBondContact CA-O 3.44Å; A279-V286 HydrophobicContact CB-CB 4.36Å; A279-V286 PolarHBondContact N-O 3.03Å; A279-V286 PolarHBondContact O-N 3.33Å; V286-R334 PolarHBondContact O-NH1 2.76Å; V286-R334 VanDerWaalsContact O-NH1 3.09Å; V286-R334 PolarHBondContact O-NH2 3.09Å
287	K	97.1	Very high	95.4	Very high	60 Å²	60	51.4 Å²	51.4	26%	0.261	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	147.2	-176.9	-61.5	-178.7	-175.2	176.8	0	111.3	L265 D266 T267 S278 V364	L265-K287 PolarHBondContact O-N 3.31Å; D266-K287 CarbonylContact C-O 3.56Å; T267-K287 PolarHBondContact N-O 3.28Å; T267-K287 PolarHBondContact OG1-O 2.96Å; S278-K287 WeakPolarHBondContact OG-CA 3.26Å; K287-V364 HydrophobicContact CD-CG2 4.35Å
288	N	97.2	Very high	95.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.6	173.6	-72.1	-34.5	0	0	0	109.6	I276 S278 R334 V364 E365	I276-N288 PolarHBondContact O-ND2 2.65Å; S278-N288 PolarHBondContact N-ND2 3.1Å; S278-N288 PolarHBondContact OG-N 2.82Å; N288-R334 PolarHBondContact OD1-NH1 2.86Å; N288-V364 CarbonylContact O-C 3.55Å; N288-V364 WeakPolarHBondContact O-CA 3.47Å; N288-E365 HydrophobicContact CB-CB 4.04Å; N288-E365 WeakPolarHBondContact CB-OE2 3.49Å; N288-E365 PolarHBondContact ND2-OE2 3.49Å; N288-E365 PolarHBondContact O-N 3.11Å
289	I	97.8	Very high	95.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	133.8	166.5	-63.8	168.2	0	0	0	107.5	D266 T267 E268 Q271 I292 N303 W310 V361 V364	D266-I289 HydrophobicContact CB-CD1 4.02Å; D266-I289 HydrophobicContact CB-CG1 3.92Å; T267-I289 PolarHBondContact O-N 3.16Å; E268-I289 HydrophobicContact CB-CB 4.22Å; E268-I289 HydrophobicContact CB-CD1 3.95Å; E268-I289 WeakPolarHBondContact OE2-CB 3.47Å; E268-I289 WeakPolarHBondContact OE2-CG2 3.34Å; Q271-I289 PolarHBondContact NE2-O 3.27Å; Q271-I289 VanDerWaalsContact NE2-O 3.13Å; I289-I292 HydrophobicContact CG2-CG2 3.61Å; I289-N303 PolarHBondContact O-ND2 3.1Å; I289-N303 VanDerWaalsContact O-ND2 3.16Å; I289-W310 HydrophobicContact CD1-CH2 3.71Å; I289-W310 HydrophobicContact CD1-CZ2 4.33Å; I289-W310 HydrophobicContact CD1-CZ3 3.8Å; I289-V361 HydrophobicContact CD1-CG1 4.36Å; I289-V361 HydrophobicContact CD1-CG2 3.67Å; I289-V361 HydrophobicContact CG1-CG1 4.12Å; I289-V361 HydrophobicContact CG1-CG2 4.34Å; I289-V361 HydrophobicContact CG2-CG1 4.31Å; I289-V364 HydrophobicContact CG1-CG1 4.12Å
290	E	96.5	Very high	95.6	Very high	49 Å²	49	52.7 Å²	52.7	23%	0.229	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-35.1	178.5	-69.6	-174.7	164.2	0	0	111.7	N303 R363 E365	E290-N303 WeakPolarHBondContact CA-ND2 3.2Å; E290-N303 PolarHBondContact O-N 3.27Å; E290-R363 HydrophobicContact CB-CB 4.28Å; E290-R363 HydrophobicContact CB-CG 4.3Å; E290-R363 PolarHBondContact N-O 2.92Å; E290-R363 WeakPolarHBondContact OE2-CD 3.15Å; E290-R363 WeakPolarHBondContact OE2-CG 3.3Å; E290-R363 IonicContact OE2-CZ 3.06Å; E290-R363 IonicContact OE2-NE 2.76Å; E290-R363 PolarHBondContact OE2-NE 3Å; E290-R363 IonicContact OE2-NH1 3.69Å; E290-R363 PolarHBondContact OE2-NH1 3.13Å; E290-R363 IonicContact OE2-NH2 3.91Å; E290-E365 HydrophobicContact CG-CB 4.25Å
291	S	97.5	Very high	95.7	Very high	14 Å²	14	51.7 Å²	51.7	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	149.7	178.2	56.4	0	0	0	0	112	I301 Q362 R363	S291-I301 CarbonylContact C-O 3.44Å; S291-I301 WeakPolarHBondContact CA-O 3.21Å; S291-I301 WeakPolarHBondContact CB-O 3.47Å; S291-Q362 WeakPolarHBondContact O-CB 3.08Å; S291-Q362 PolarHBondContact O-N 3.36Å; S291-R363 PolarHBondContact N-O 3.26Å; S291-R363 PolarHBondContact O-N 2.81Å; S291-R363 VanDerWaalsContact O-N 3.14Å; S291-R363 WeakPolarHBondContact OG-CB 3.32Å
292	I	98.1	Very high	96.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.9	174.5	64.2	168.3	0	0	0	110.9	Y53 I289 I294 T300 I301 W310 S360	Y53-I292 HydrophobicContact CE1-CD1 4.29Å; Y53-I292 HydrophobicContact CE2-CD1 3.94Å; Y53-I292 VanDerWaalsContact OH-CD1 3.3Å; Y53-I292 WeakPolarHBondContact OH-CD1 3.47Å; I289-I292 HydrophobicContact CG2-CG2 3.61Å; I292-I294 HydrophobicContact CD1-CD1 4.47Å; I292-I294 HydrophobicContact CD1-CG1 4.47Å; I292-T300 CarbonylContact O-C 3.6Å; I292-T300 VanDerWaalsContact O-CA 3.27Å; I292-T300 WeakPolarHBondContact O-CA 3.11Å; I292-I301 HydrophobicContact CD1-CB 4.31Å; I292-I301 HydrophobicContact CD1-CD1 4.1Å; I292-I301 HydrophobicContact CG1-CB 3.8Å; I292-I301 HydrophobicContact CG1-CD1 4.4Å; I292-I301 HydrophobicContact CG1-CG1 4.44Å; I292-I301 PolarHBondContact N-O 3.26Å; I292-I301 PolarHBondContact O-N 3.03Å; I292-W310 HydrophobicContact CG2-CH2 4.37Å; I292-W310 HydrophobicContact CG2-CZ2 3.91Å; I292-S360 CarbonylContact C-O 3.56Å; I292-S360 WeakPolarHBondContact CA-O 3.39Å; I292-S360 VanDerWaalsContact CB-O 3.3Å; I292-S360 WeakPolarHBondContact CB-O 3.1Å
293	Y	97.8	Very high	96	Very high	87 Å²	87	50 Å²	50	34%	0.341	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113.4	176.3	178.7	-107	0	0	0	110.6	R295 G298 T299 S360	Y293-R295 HydrophobicContact CD1-CB 4.49Å; Y293-R295 HydrophobicContact CE1-CB 4.06Å; Y293-R295 HydrophobicContact CE1-CG 4.37Å; Y293-R295 PolarHBondContact O-N 3Å; Y293-G298 WeakPolarHBondContact OH-CA 3.14Å; Y293-T299 WeakPolarHBondContact CA-O 2.98Å; Y293-S360 PolarHBondContact N-O 2.8Å
294	I	95.8	Very high	96.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	100.3	177.1	-62.9	179.1	0	0	0	108.4	Y53 L55 V62 I292 A296 T297 G298 T299 I301	Y53-I294 HydrophobicContact CD1-CD1 4.16Å; Y53-I294 HydrophobicContact CG-CD1 4.08Å; L55-I294 HydrophobicContact CD2-CD1 3.65Å; V62-I294 HydrophobicContact CB-CG2 4.42Å; V62-I294 HydrophobicContact CG1-CG2 4.04Å; V62-I294 HydrophobicContact CG2-CD1 4.03Å; V62-I294 HydrophobicContact CG2-CG2 3.81Å; I292-I294 HydrophobicContact CD1-CD1 4.47Å; I292-I294 HydrophobicContact CD1-CG1 4.47Å; I294-A296 VanDerWaalsContact C-N 3.27Å; I294-A296 HydrophobicContact CG2-CB 4.37Å; I294-A296 PolarHBondContact O-N 2.88Å; I294-T297 PolarHBondContact O-N 2.8Å; I294-G298 PolarHBondContact O-N 2.91Å; I294-T299 PolarHBondContact N-O 2.96Å; I294-T299 PolarHBondContact O-N 2.81Å; I294-I301 HydrophobicContact CD1-CD1 3.75Å
295	R	94.1	Very high	96	Very high	192 Å²	192	46.3 Å²	46.3	73%	0.725	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-58	-35.9	-175.8	-173.2	179	-65.1	167.4	3.4	113.5	Y293 T297 G298	Y293-R295 HydrophobicContact CD1-CB 4.49Å; Y293-R295 HydrophobicContact CE1-CB 4.06Å; Y293-R295 HydrophobicContact CE1-CG 4.37Å; Y293-R295 PolarHBondContact O-N 3Å; R295-T297 PolarHBondContact O-N 2.83Å; R295-T297 VanDerWaalsContact O-N 3.1Å; R295-G298 PolarHBondContact O-N 2.95Å
296	A	93.7	Very high	96	Very high	51 Å²	51	45.3 Å²	45.3	42%	0.421	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.7	-177.8	0	0	0	0	0	113.7	V62 W71 I294	V62-A296 HydrophobicContact CG1-CB 4.23Å; W71-A296 HydrophobicContact CB-CB 3.85Å; W71-A296 WeakPolarHBondContact O-CB 3.33Å; I294-A296 VanDerWaalsContact C-N 3.27Å; I294-A296 HydrophobicContact CG2-CB 4.37Å; I294-A296 PolarHBondContact O-N 2.88Å
297	T	95.5	Very high	96	Very high	44 Å²	44	46.3 Å²	46.3	27%	0.27	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-126	3.8	-179	59	0	0	0	0	113.1	L55 V62 L73 I294 R295 T299	L55-T297 HydrophobicContact CD1-CG2 3.97Å; V62-T297 HydrophobicContact CG1-CG2 3.57Å; L73-T297 HydrophobicContact CD1-CG2 3.97Å; I294-T297 PolarHBondContact O-N 2.8Å; R295-T297 PolarHBondContact O-N 2.83Å; R295-T297 VanDerWaalsContact O-N 3.1Å; T297-T299 WeakPolarHBondContact CB-OG1 3.35Å; T297-T299 PolarHBondContact O-N 3.24Å; T297-T299 PolarHBondContact O-OG1 3.29Å; T297-T299 WeakPolarHBondContact OG1-CB 3.1Å; T297-T299 PolarHBondContact OG1-OG1 2.89Å
298	G	95.6	Very high	96	Very high	46 Å²	46	43.4 Å²	43.4	47%	0.474	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	26.8	-175.1	0	0	0	0	0	113.9	Y293 I294 R295	Y293-G298 WeakPolarHBondContact OH-CA 3.14Å; I294-G298 PolarHBondContact O-N 2.91Å; R295-G298 PolarHBondContact O-N 2.95Å
299	T	96.1	Very high	96	Very high	41 Å²	41	43.7 Å²	43.7	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.8	-170.5	-52.9	0	0	0	0	111.2	Y293 I294 T297 I301	Y293-T299 WeakPolarHBondContact CA-O 2.98Å; I294-T299 PolarHBondContact N-O 2.96Å; I294-T299 PolarHBondContact O-N 2.81Å; T297-T299 WeakPolarHBondContact CB-OG1 3.35Å; T297-T299 PolarHBondContact O-N 3.24Å; T297-T299 PolarHBondContact O-OG1 3.29Å; T297-T299 WeakPolarHBondContact OG1-CB 3.1Å; T297-T299 PolarHBondContact OG1-OG1 2.89Å; T299-I301 HydrophobicContact CG2-CG1 4Å
300	T	97.5	Very high	96	Very high	64 Å²	64	43.7 Å²	43.7	39%	0.393	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130	164.2	-68.9	0	0	0	0	109.8	I292 Q362	I292-T300 CarbonylContact O-C 3.6Å; I292-T300 VanDerWaalsContact O-CA 3.27Å; I292-T300 WeakPolarHBondContact O-CA 3.11Å; T300-Q362 VanDerWaalsContact CG2-OE1 3.27Å; T300-Q362 PolarHBondContact OG1-OE1 2.89Å
301	I	97	Very high	96.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	129	174.5	-51.8	167.4	0	0	0	108.1	Y53 L55 P56 S291 I292 I294 T299 D306	Y53-I301 HydrophobicContact CD1-CD1 4.28Å; Y53-I301 HydrophobicContact CE1-CD1 3.9Å; L55-I301 HydrophobicContact CD2-CD1 4.13Å; P56-I301 HydrophobicContact CG-CB 4.39Å; P56-I301 HydrophobicContact CG-CD1 4.2Å; P56-I301 HydrophobicContact CG-CG1 3.98Å; P56-I301 HydrophobicContact CG-CG2 3.6Å; S291-I301 CarbonylContact C-O 3.44Å; S291-I301 WeakPolarHBondContact CA-O 3.21Å; S291-I301 WeakPolarHBondContact CB-O 3.47Å; I292-I301 HydrophobicContact CD1-CB 4.31Å; I292-I301 HydrophobicContact CD1-CD1 4.1Å; I292-I301 HydrophobicContact CG1-CB 3.8Å; I292-I301 HydrophobicContact CG1-CD1 4.4Å; I292-I301 HydrophobicContact CG1-CG1 4.44Å; I292-I301 PolarHBondContact N-O 3.26Å; I292-I301 PolarHBondContact O-N 3.03Å; I294-I301 HydrophobicContact CD1-CD1 3.75Å; T299-I301 HydrophobicContact CG2-CG1 4Å; I301-D306 HydrophobicContact CG2-CB 3.95Å; I301-D306 WeakPolarHBondContact CG2-OD2 3.3Å
302	R	96.5	Very high	96.2	Very high	169 Å²	169	40.7 Å²	40.7	64%	0.638	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.9	173	-63.4	-177.8	-179.2	-179.5	0	109.2	A304 Q305	R302-A304 PolarHBondContact O-N 3.42Å; R302-A304 VanDerWaalsContact O-N 3.09Å; R302-Q305 WeakPolarHBondContact O-CA 3.24Å; R302-Q305 WeakPolarHBondContact O-CB 3.41Å; R302-Q305 PolarHBondContact O-N 3.24Å
303	N	92.2	Very high	96.2	Very high	22 Å²	22	40.6 Å²	40.6	12%	0.118	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54.6	-31.5	-177.9	62.9	9.7	0	0	0	115	E268 Q271 I289 E290 Q305 D306	E268-N303 WeakPolarHBondContact OE1-CA 3.4Å; Q271-N303 HydrophobicContact CB-CB 4.5Å; Q271-N303 HydrophobicContact CG-CB 4.17Å; Q271-N303 PolarHBondContact NE2-ND2 3.38Å; Q271-N303 PolarHBondContact OE1-ND2 3.02Å; Q271-N303 VanDerWaalsContact OE1-ND2 3.1Å; I289-N303 PolarHBondContact O-ND2 3.1Å; I289-N303 VanDerWaalsContact O-ND2 3.16Å; E290-N303 WeakPolarHBondContact CA-ND2 3.2Å; E290-N303 PolarHBondContact O-N 3.27Å; N303-Q305 PolarHBondContact O-N 3.4Å; N303-D306 PolarHBondContact O-N 2.96Å
304	A	93.1	Very high	96	Very high	34 Å²	34	38.3 Å²	38.3	28%	0.281	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-70.6	-13.9	176.6	0	0	0	0	0	112.9	R302	R302-A304 PolarHBondContact O-N 3.42Å; R302-A304 VanDerWaalsContact O-N 3.09Å
305	Q	94.5	Very high	95.8	Very high	73 Å²	73	40.9 Å²	40.9	34%	0.341	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-107.2	10	177.3	-61.4	175.7	-33.1	0	0	111.8	Y166 G167 R302 N303	Y166-Q305 CarbonylContact C-O 3.54Å; Y166-Q305 WeakPolarHBondContact CA-O 3.48Å; G167-Q305 PolarHBondContact N-O 2.79Å; R302-Q305 WeakPolarHBondContact O-CA 3.24Å; R302-Q305 WeakPolarHBondContact O-CB 3.41Å; R302-Q305 PolarHBondContact O-N 3.24Å; N303-Q305 PolarHBondContact O-N 3.4Å
306	D	96	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-127.9	126.4	-173.6	-144.6	-39.5	0	0	0	112.3	Y53 G167 E268 W270 I301 N303 A308	Y53-D306 WeakPolarHBondContact CE1-OD2 3.29Å; Y53-D306 VanDerWaalsContact CZ-OD2 3.24Å; Y53-D306 PolarHBondContact OH-OD1 2.8Å; Y53-D306 PolarHBondContact OH-OD2 2.89Å; G167-D306 WeakPolarHBondContact CA-OD1 3.4Å; E268-D306 WeakPolarHBondContact OE1-CB 3.41Å; W270-D306 VanDerWaalsContact CA-O 3.3Å; W270-D306 WeakPolarHBondContact CA-O 3.42Å; W270-D306 WeakPolarHBondContact CB-O 3.32Å; I301-D306 HydrophobicContact CG2-CB 3.95Å; I301-D306 WeakPolarHBondContact CG2-OD2 3.3Å; N303-D306 PolarHBondContact O-N 2.96Å; D306-A308 WeakPolarHBondContact OD1-CA 3.34Å; D306-A308 WeakPolarHBondContact OD1-CB 3.44Å; D306-A308 PolarHBondContact OD1-N 3.46Å
307	H	96.4	Very high	94.4	Very high	21 Å²	21	41.4 Å²	41.4	10%	0.097	22%	0.224	C	C	.	.			trans	-93.5	-3.8	171.1	-80.9	-151.2	0	0	0	112	S146 Y166 G167 W270	S146-H307 WeakPolarHBondContact CB-O 3.48Å; S146-H307 PolarHBondContact OG-O 2.7Å; Y166-H307 VanDerWaalsContact CB-CD2 3.49Å; Y166-H307 WeakPolarHBondContact CB-CD2 3.31Å; Y166-H307 AromaticContact CD1-CD2 3.83Å; Y166-H307 AromaticContact CD1-NE2 3.95Å; Y166-H307 AromaticContact CD2-CD2 3.61Å; Y166-H307 AromaticContact CD2-CE1 3.65Å; Y166-H307 AromaticContact CD2-NE2 3.12Å; Y166-H307 WeakPolarHBondContact CD2-NE2 3.45Å; Y166-H307 AromaticContact CE2-NE2 3.41Å; Y166-H307 WeakPolarHBondContact CE2-NE2 3.46Å; Y166-H307 AromaticContact CG-CD2 3.36Å; Y166-H307 AromaticContact CG-NE2 3.41Å; Y166-H307 AromaticContact CZ-NE2 3.94Å; G167-H307 WeakPolarHBondContact O-CB 3.5Å; G167-H307 PolarHBondContact O-N 2.71Å; W270-H307 AromaticContact CD1-CD2 3.68Å; W270-H307 AromaticContact CD2-CD2 3.77Å; W270-H307 AromaticContact CD2-NE2 3.73Å; W270-H307 AromaticContact CE2-CD2 3.64Å; W270-H307 AromaticContact CE2-NE2 3.28Å; W270-H307 VanDerWaalsContact CE2-NE2 3.28Å; W270-H307 AromaticContact CG-CD2 3.84Å; W270-H307 AromaticContact CZ2-NE2 3.47Å; W270-H307 WeakPolarHBondContact CZ2-NE2 3.3Å; W270-H307 AromaticContact NE1-CD2 3.5Å; W270-H307 AromaticContact NE1-NE2 3.52Å
308	A	96.9	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.			trans	-58.7	150.6	175.9	0	0	0	0	0	111.3	Y53 H169 T269 D306	Y53-A308 HydrophobicContact CE1-CB 4.19Å; Y53-A308 HydrophobicContact CE2-CB 4.05Å; Y53-A308 WeakPolarHBondContact OH-CB 3.49Å; H169-A308 HydrophobicContact CB-CB 3.92Å; H169-A308 WeakPolarHBondContact ND1-CA 3.08Å; T269-A308 WeakPolarHBondContact CA-O 3.4Å; D306-A308 WeakPolarHBondContact OD1-CA 3.34Å; D306-A308 WeakPolarHBondContact OD1-CB 3.44Å; D306-A308 PolarHBondContact OD1-N 3.46Å
309	K	97.8	Very high	92.8	Very high	6 Å²	6	49.3 Å²	49.3	3%	0.026	26%	0.256	C	S	.	.			trans	-141.5	95	-176.1	-63.5	175.8	-175.1	122.3	0	108.2	H127 H169 E268 G330 D331 N333	H127-K309 PolarHBondContact CD2-NZ 2.76Å; H127-K309 WeakPolarHBondContact NE2-CE 3.46Å; H127-K309 PolarHBondContact NE2-NZ 3.2Å; H169-K309 PolarHBondContact CE1-O 2.58Å; H169-K309 PolarHBondContact ND1-N 2.66Å; E268-K309 CarbonylContact O-C 3.56Å; E268-K309 VanDerWaalsContact O-CA 3.23Å; E268-K309 WeakPolarHBondContact O-CA 3.3Å; K309-G330 WeakPolarHBondContact CB-O 3.44Å; K309-G330 PolarHBondContact O-N 2.74Å; K309-D331 WeakPolarHBondContact CD-O 3.22Å; K309-D331 WeakPolarHBondContact CE-O 3.33Å; K309-D331 PolarHBondContact NZ-O 2.98Å; K309-N333 HydrophobicContact CD-CB 4.31Å; K309-N333 HydrophobicContact CG-CB 4.48Å
310	W	98.3	Very high	92.1	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.1	-179.4	61.2	-91.1	0	0	0	111.8	Y53 T267 E268 I289 I292 V312 I327 C328 L329 F357 V361	Y53-W310 AromaticContact CE2-NE1 3.55Å; T267-W310 CarbonylContact C-O 3.59Å; T267-W310 WeakPolarHBondContact CA-O 3.02Å; E268-W310 HydrophobicContact CB-CD2 3.84Å; E268-W310 VanDerWaalsContact CB-CE2 3.42Å; E268-W310 HydrophobicContact CB-CE3 4.49Å; E268-W310 HydrophobicContact CB-CG 4.16Å; E268-W310 HydrophobicContact CB-CH2 4.48Å; E268-W310 HydrophobicContact CB-CZ2 3.82Å; E268-W310 HydrophobicContact CG-CZ2 4.27Å; E268-W310 PolarHBondContact N-O 3.05Å; E268-W310 PolarHBondContact O-N 3.14Å; I289-W310 HydrophobicContact CD1-CH2 3.71Å; I289-W310 HydrophobicContact CD1-CZ2 4.33Å; I289-W310 HydrophobicContact CD1-CZ3 3.8Å; I292-W310 HydrophobicContact CG2-CH2 4.37Å; I292-W310 HydrophobicContact CG2-CZ2 3.91Å; W310-V312 HydrophobicContact CE3-CG1 3.99Å; W310-V312 HydrophobicContact CZ3-CB 4.31Å; W310-V312 HydrophobicContact CZ3-CG1 3.62Å; W310-V312 HydrophobicContact CZ3-CG2 3.92Å; W310-I327 HydrophobicContact CB-CD1 4.24Å; W310-I327 HydrophobicContact CD2-CD1 4.28Å; W310-I327 HydrophobicContact CE3-CD1 3.66Å; W310-I327 HydrophobicContact CZ3-CD1 4.38Å; W310-C328 CarbonylContact C-O 3.51Å; W310-C328 WeakPolarHBondContact CA-O 3.37Å; W310-C328 WeakPolarHBondContact CB-O 3.28Å; W310-L329 HydrophobicContact CB-CD2 4.37Å; W310-L329 HydrophobicContact CB-CG 4.17Å; W310-F357 AromaticContact CD2-CD1 3.68Å; W310-F357 HydrophobicContact CD2-CD1 3.68Å; W310-F357 HydrophobicContact CD2-CE1 4.07Å; W310-F357 AromaticContact CE2-CD1 3.81Å; W310-F357 HydrophobicContact CE3-CB 4.42Å; W310-F357 AromaticContact CE3-CD1 3.73Å; W310-F357 HydrophobicContact CE3-CD1 3.73Å; W310-F357 HydrophobicContact CE3-CG 4.49Å; W310-F357 HydrophobicContact CG-CD1 4.27Å; W310-F357 HydrophobicContact CG-CE1 4.19Å; W310-F357 HydrophobicContact CH2-CB 4.29Å; W310-F357 HydrophobicContact CH2-CD1 4.02Å; W310-F357 AromaticContact CZ2-CD1 3.95Å; W310-F357 HydrophobicContact CZ2-CD1 3.95Å; W310-F357 HydrophobicContact CZ3-CB 4Å; W310-F357 AromaticContact CZ3-CD1 3.92Å; W310-F357 HydrophobicContact CZ3-CD1 3.92Å; W310-F357 HydrophobicContact CZ3-CG 4.46Å; W310-V361 HydrophobicContact CH2-CG2 3.94Å; W310-V361 HydrophobicContact CZ3-CG2 4.39Å
311	A	98.6	Very high	91.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	138.6	-179.4	0	0	0	0	0	110.8	Y253 L265 D266 T267 I327 C328	Y253-A311 HydrophobicContact CD1-CB 3.89Å; Y253-A311 HydrophobicContact CE1-CB 3.66Å; L265-A311 HydrophobicContact CB-CB 4.5Å; L265-A311 HydrophobicContact CD1-CB 4.35Å; D266-A311 CarbonylContact O-C 3.57Å; D266-A311 VanDerWaalsContact O-CA 3.23Å; D266-A311 WeakPolarHBondContact O-CA 3.15Å; T267-A311 HydrophobicContact CG2-CB 3.73Å; A311-I327 CarbonylContact O-C 3.5Å; A311-I327 WeakPolarHBondContact O-CA 3.49Å; A311-I327 WeakPolarHBondContact O-CD1 3.08Å; A311-C328 HydrophobicContact CB-CB 4.21Å; A311-C328 PolarHBondContact N-O 2.81Å; A311-C328 PolarHBondContact O-N 2.89Å
312	V	98.4	Very high	90.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	142.9	171	-74.4	0	0	0	0	110.3	L265 D266 W310 W326 I327 F357 Y358 V361	L265-V312 CarbonylContact C-O 3.59Å; L265-V312 VanDerWaalsContact CA-O 3.3Å; L265-V312 WeakPolarHBondContact CA-O 3.44Å; D266-V312 HydrophobicContact CB-CG2 4.08Å; D266-V312 PolarHBondContact N-O 3.12Å; D266-V312 PolarHBondContact O-N 3.47Å; W310-V312 HydrophobicContact CE3-CG1 3.99Å; W310-V312 HydrophobicContact CZ3-CB 4.31Å; W310-V312 HydrophobicContact CZ3-CG1 3.62Å; W310-V312 HydrophobicContact CZ3-CG2 3.92Å; V312-W326 WeakPolarHBondContact CA-O 3.48Å; V312-I327 HydrophobicContact CG1-CB 4.39Å; V312-I327 HydrophobicContact CG1-CD1 3.56Å; V312-F357 HydrophobicContact CG1-CB 3.59Å; V312-Y358 HydrophobicContact CG2-CD2 4.03Å; V312-V361 HydrophobicContact CG2-CG2 4.3Å
313	T	97.7	Very high	90	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.5	171	52.7	0	0	0	0	111.2	L261 K263 S264 L265 N325 W326 W354	L261-T313 HydrophobicContact CD1-CG2 4.43Å; K263-T313 HydrophobicContact CB-CG2 3.63Å; K263-T313 HydrophobicContact CG-CG2 3.92Å; S264-T313 CarbonylContact O-C 3.44Å; S264-T313 WeakPolarHBondContact O-CA 3.46Å; L265-T313 HydrophobicContact CD2-CG2 3.72Å; T313-N325 VanDerWaalsContact OG1-CA 3.28Å; T313-N325 WeakPolarHBondContact OG1-CA 3.41Å; T313-W326 HydrophobicContact CG2-CB 3.76Å; T313-W326 HydrophobicContact CG2-CG 4.27Å; T313-W326 PolarHBondContact N-O 2.77Å; T313-W326 PolarHBondContact OG1-N 3.49Å; T313-W326 PolarHBondContact OG1-O 3.2Å; T313-W354 PolarHBondContact O-NE1 3.06Å; T313-W354 PolarHBondContact OG1-NE1 2.81Å
314	V	95.3	Very high	89.9	Confident	39 Å²	39	55.8 Å²	55.8	24%	0.236	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-82.9	127.6	172.2	-177.2	0	0	0	0	108.8	S264 S316	S264-V314 PolarHBondContact O-N 3.24Å; V314-S316 PolarHBondContact O-N 3.37Å
315	P	90.5	Very high	90	Very high	56 Å²	56	54.9 Å²	54.9	36%	0.364	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-59.4	134.2	176.3	-24.9	36	0	0	0	110.9	W354	P315-W354 HydrophobicContact CG-CH2 3.46Å; P315-W354 VanDerWaalsContact CG-CH2 3.46Å; P315-W354 HydrophobicContact CG-CZ2 3.39Å
316	S	82	Confident	90.2	Very high	42 Å²	42	52.3 Å²	52.3	29%	0.294	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-92.4	140.7	174.7	-168.4	0	0	0	0	110.6	V314 K318 E321	V314-S316 PolarHBondContact O-N 3.37Å; S316-K318 VanDerWaalsContact C-N 3.33Å; S316-K318 PolarHBondContact OG-N 3.17Å; S316-K318 VanDerWaalsContact OG-N 3.16Å; S316-E321 WeakPolarHBondContact CB-OE2 3.34Å; S316-E321 VanDerWaalsContact OG-CD 3.26Å; S316-E321 PolarHBondContact OG-OE2 3.42Å
317	K	76.9	Confident	90.3	Very high	211 Å²	211	52.3 Å²	52.3	92%	0.917	29%	0.285	S	S	*	.			trans	-89.2	-2.3	169	-63.7	-175	179.3	-178.2	0	112.4
318	K	82	Confident	90.4	Very high	119 Å²	119	51.3 Å²	51.3	52%	0.517	28%	0.28	S	S	.	.			trans	-80.6	126.1	-177.7	-60.2	-166.6	-153.8	144.2	0	109.9	S316 T320 E321	S316-K318 VanDerWaalsContact C-N 3.33Å; S316-K318 PolarHBondContact OG-N 3.17Å; S316-K318 VanDerWaalsContact OG-N 3.16Å; K318-T320 PolarHBondContact O-N 3.16Å; K318-T320 VanDerWaalsContact O-N 3.09Å; K318-E321 HydrophobicContact CB-CB 4.38Å; K318-E321 HydrophobicContact CB-CG 4.11Å; K318-E321 VanDerWaalsContact CD-OE1 3.31Å; K318-E321 WeakPolarHBondContact CD-OE1 3.33Å; K318-E321 WeakPolarHBondContact CE-OE1 3.46Å; K318-E321 IonicContact NZ-OE1 2.76Å; K318-E321 PolarHBondContact NZ-OE1 2.84Å; K318-E321 PolarHBondContact O-N 3.41Å; K318-E321 VanDerWaalsContact O-N 3.16Å
319	P	76.2	Confident	90.4	Very high	137 Å²	137	51.3 Å²	51.3	89%	0.89	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.1	-179.1	-24.9	33.8	0	0	0	114.8
320	T	79.5	Confident	90.5	Very high	133 Å²	133	51 Å²	51	82%	0.816	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.1	-177.2	54.1	0	0	0	0	113.9	K318	K318-T320 PolarHBondContact O-N 3.16Å; K318-T320 VanDerWaalsContact O-N 3.09Å
321	E	78.5	Confident	90.4	Very high	46 Å²	46	51.1 Å²	51.1	22%	0.215	28%	0.28	C	S	.	.	S	Bend	trans	-91.9	137.3	179.4	-72.6	-178.4	-163.5	0	0	110.1	S316 K318	S316-E321 WeakPolarHBondContact CB-OE2 3.34Å; S316-E321 VanDerWaalsContact OG-CD 3.26Å; S316-E321 PolarHBondContact OG-OE2 3.42Å; K318-E321 HydrophobicContact CB-CB 4.38Å; K318-E321 HydrophobicContact CB-CG 4.11Å; K318-E321 VanDerWaalsContact CD-OE1 3.31Å; K318-E321 WeakPolarHBondContact CD-OE1 3.33Å; K318-E321 WeakPolarHBondContact CE-OE1 3.46Å; K318-E321 IonicContact NZ-OE1 2.76Å; K318-E321 PolarHBondContact NZ-OE1 2.84Å; K318-E321 PolarHBondContact O-N 3.41Å; K318-E321 VanDerWaalsContact O-N 3.16Å
322	D	82.8	Confident	90.4	Very high	79 Å²	79	51.1 Å²	51.1	42%	0.422	28%	0.28	S	S	.	.			trans	-46.2	142.4	177	-178.3	4.4	0	0	0	111.1	K263 N324	K263-D322 WeakPolarHBondContact CE-O 3.29Å; K263-D322 PolarHBondContact NZ-O 2.76Å; D322-N324 WeakPolarHBondContact OD1-CB 3.33Å; D322-N324 PolarHBondContact OD1-N 3.26Å; D322-N324 PolarHBondContact OD1-ND2 2.77Å; D322-N324 WeakPolarHBondContact OD2-CB 3.4Å; D322-N324 PolarHBondContact OD2-ND2 2.9Å
323	T	86.1	Confident	90.2	Very high	120 Å²	120	51.2 Å²	51.2	74%	0.736	28%	0.28	S	S	*	.			trans	-87.8	-6.2	177.1	56	0	0	0	0	113.1	N325	T323-N325 PolarHBondContact O-N 3.12Å; T323-N325 PolarHBondContact O-ND2 3.28Å
324	N	90.7	Very high	90.1	Very high	54 Å²	54	51.2 Å²	51.2	29%	0.289	28%	0.28	S	S	.	.			trans	-61.8	131	178.6	-64.9	-37.5	0	0	0	111.8	K263 D322 Q349	K263-N324 VanDerWaalsContact CE-O 3.26Å; K263-N324 WeakPolarHBondContact CE-O 3.21Å; K263-N324 PolarHBondContact NZ-O 2.87Å; D322-N324 WeakPolarHBondContact OD1-CB 3.33Å; D322-N324 PolarHBondContact OD1-N 3.26Å; D322-N324 PolarHBondContact OD1-ND2 2.77Å; D322-N324 WeakPolarHBondContact OD2-CB 3.4Å; D322-N324 PolarHBondContact OD2-ND2 2.9Å; N324-Q349 HydrophobicContact CB-CG 4.33Å; N324-Q349 PolarHBondContact ND2-NE2 3.46Å; N324-Q349 PolarHBondContact OD1-NE2 2.98Å
325	N	95.1	Very high	90	Very high	16 Å²	16	49.6 Å²	49.6	9%	0.086	27%	0.27	C	S	.	.			trans	-114.1	141.1	176.7	-63	-55.7	0	0	0	110.5	T313 T323 Q351 W354	T313-N325 VanDerWaalsContact OG1-CA 3.28Å; T313-N325 WeakPolarHBondContact OG1-CA 3.41Å; T323-N325 PolarHBondContact O-N 3.12Å; T323-N325 PolarHBondContact O-ND2 3.28Å; N325-Q351 PolarHBondContact ND2-OE1 2.91Å; N325-W354 HydrophobicContact CB-CB 4.13Å; N325-W354 HydrophobicContact CB-CD2 3.46Å; N325-W354 VanDerWaalsContact CB-CD2 3.46Å; N325-W354 HydrophobicContact CB-CE3 3.95Å; N325-W354 HydrophobicContact CB-CG 3.5Å
326	W	97.7	Very high	90.1	Very high	18 Å²	18	50.5 Å²	50.5	7%	0.068	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.4	-173.2	-57.3	76.6	0	0	0	110.9	N240 L261 V312 T313 C347 I348 Q349 W354	N240-W326 HydrophobicContact CB-CZ3 4.15Å; N240-W326 VanDerWaalsContact ND2-CH2 3.28Å; N240-W326 WeakPolarHBondContact ND2-CH2 3.07Å; L261-W326 HydrophobicContact CD1-CB 4.12Å; L261-W326 HydrophobicContact CD1-CG 4.1Å; L261-W326 HydrophobicContact CD2-CD2 4.04Å; L261-W326 HydrophobicContact CD2-CE3 4.43Å; L261-W326 HydrophobicContact CD2-CG 4.34Å; L261-W326 HydrophobicContact CD2-CZ2 4.4Å; V312-W326 WeakPolarHBondContact CA-O 3.48Å; T313-W326 HydrophobicContact CG2-CB 3.76Å; T313-W326 HydrophobicContact CG2-CG 4.27Å; T313-W326 PolarHBondContact N-O 2.77Å; T313-W326 PolarHBondContact OG1-N 3.49Å; T313-W326 PolarHBondContact OG1-O 3.2Å; W326-C347 HydrophobicContact CE3-CB 3.83Å; W326-C347 HydrophobicContact CZ3-CB 4.45Å; W326-I348 WeakPolarHBondContact CA-O 3.24Å; W326-Q349 HydrophobicContact CD2-CB 3.91Å; W326-Q349 HydrophobicContact CD2-CG 4.34Å; W326-Q349 HydrophobicContact CE3-CB 3.7Å; W326-Q349 HydrophobicContact CH2-CB 3.6Å; W326-Q349 HydrophobicContact CH2-CG 4.23Å; W326-Q349 HydrophobicContact CZ2-CB 3.79Å; W326-Q349 HydrophobicContact CZ2-CG 3.93Å; W326-Q349 VanDerWaalsContact CZ2-OE1 3.32Å; W326-Q349 HydrophobicContact CZ3-CB 3.56Å; W326-W354 VanDerWaalsContact O-CD1 3.31Å
327	I	98.1	Very high	90.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.3	163.5	171.2	65.4	0	0	0	107.8	W310 A311 V312 L329 C347 I348 L353 F357	W310-I327 HydrophobicContact CB-CD1 4.24Å; W310-I327 HydrophobicContact CD2-CD1 4.28Å; W310-I327 HydrophobicContact CE3-CD1 3.66Å; W310-I327 HydrophobicContact CZ3-CD1 4.38Å; A311-I327 CarbonylContact O-C 3.5Å; A311-I327 WeakPolarHBondContact O-CA 3.49Å; A311-I327 WeakPolarHBondContact O-CD1 3.08Å; V312-I327 HydrophobicContact CG1-CB 4.39Å; V312-I327 HydrophobicContact CG1-CD1 3.56Å; I327-L329 HydrophobicContact CG1-CD1 3.8Å; I327-L329 HydrophobicContact CG1-CG 4.3Å; I327-C347 CarbonylContact O-C 3.53Å; I327-C347 WeakPolarHBondContact O-CA 3.23Å; I327-I348 HydrophobicContact CG2-CB 3.98Å; I327-I348 PolarHBondContact N-O 3.45Å; I327-I348 VanDerWaalsContact N-O 3.12Å; I327-I348 PolarHBondContact O-N 3.03Å; I327-L353 HydrophobicContact CG2-CB 4.34Å; I327-L353 HydrophobicContact CG2-CD2 3.61Å; I327-L353 HydrophobicContact CG2-CG 3.81Å; I327-F357 HydrophobicContact CD1-CB 3.79Å; I327-F357 HydrophobicContact CD1-CD1 3.59Å; I327-F357 HydrophobicContact CD1-CD2 4.01Å; I327-F357 HydrophobicContact CD1-CE1 4.12Å; I327-F357 HydrophobicContact CD1-CE2 4.5Å; I327-F357 HydrophobicContact CD1-CG 3.52Å; I327-F357 HydrophobicContact CG1-CB 4.42Å; I327-F357 HydrophobicContact CG1-CD1 4.34Å; I327-F357 HydrophobicContact CG1-CD2 3.94Å; I327-F357 HydrophobicContact CG1-CE2 4.25Å; I327-F357 HydrophobicContact CG1-CG 3.98Å
328	C	98.7	Very high	91.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.2	178.3	-52.6	0	0	0	0	109.6	W310 A311 T345 M346 C347	W310-C328 CarbonylContact C-O 3.51Å; W310-C328 WeakPolarHBondContact CA-O 3.37Å; W310-C328 WeakPolarHBondContact CB-O 3.28Å; A311-C328 HydrophobicContact CB-CB 4.21Å; A311-C328 PolarHBondContact N-O 2.81Å; A311-C328 PolarHBondContact O-N 2.89Å; C328-T345 HydrophobicContact CB-CG2 4.09Å; C328-T345 WeakPolarHBondContact CB-OG1 3.47Å; C328-M346 CarbonylContact C-O 3.53Å; C328-M346 VanDerWaalsContact CA-O 3.24Å; C328-M346 WeakPolarHBondContact CA-O 3.28Å; C328-C347 HydrophobicContact CB-CB 4.09Å; C328-C347 WeakPolarHBondContact CB-SG 3.09Å; C328-C347 WeakPolarHBondContact SG-CB 3.13Å; C328-C347 CovalentContact SG-SG 2.04Å; C328-C347 PolarHBondContact SG-SG 2.72Å
329	L	98.6	Very high	92	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.8	176.1	-61	109.5	0	0	0	109.3	V51 H169 L171 W310 I327 T345 M346 I348 F357	V51-L329 HydrophobicContact CG2-CD1 4.39Å; V51-L329 HydrophobicContact CG2-CD2 3.64Å; H169-L329 HydrophobicContact CB-CD2 4.37Å; L171-L329 HydrophobicContact CD2-CB 4.43Å; L171-L329 HydrophobicContact CD2-CD1 4.24Å; W310-L329 HydrophobicContact CB-CD2 4.37Å; W310-L329 HydrophobicContact CB-CG 4.17Å; I327-L329 HydrophobicContact CG1-CD1 3.8Å; I327-L329 HydrophobicContact CG1-CG 4.3Å; L329-T345 PolarHBondContact N-OG1 2.8Å; L329-T345 CarbonylContact O-C 3.57Å; L329-T345 WeakPolarHBondContact O-CA 2.98Å; L329-T345 PolarHBondContact O-OG1 3.3Å; L329-M346 PolarHBondContact N-O 2.93Å; L329-M346 PolarHBondContact O-N 2.81Å; L329-I348 HydrophobicContact CD1-CD1 4.1Å; L329-F357 HydrophobicContact CD2-CE1 4.23Å; L329-F357 HydrophobicContact CD2-CZ 3.97Å
330	G	98.1	Very high	92.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	-162.4	-166.3	0	0	0	0	0	118.2	H169 K309 G344	H169-G330 PolarHBondContact CE1-O 2.91Å; H169-G330 PolarHBondContact NE2-N 3.14Å; H169-G330 PolarHBondContact NE2-O 3.43Å; K309-G330 WeakPolarHBondContact CB-O 3.44Å; K309-G330 PolarHBondContact O-N 2.74Å; G330-G344 WeakPolarHBondContact CA-O 3.37Å
331	D	97.9	Very high	93.6	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.011	19%	0.189	C	C	.	.	S	Bend	trans	-99	-36.1	-163.7	-63.1	-46.2	0	0	0	113	H127 M128 K309 G344	H127-D331 PolarHBondContact CD2-O 3.38Å; H127-D331 WeakPolarHBondContact O-CB 3.3Å; M128-D331 WeakPolarHBondContact CA-OD1 3.48Å; M128-D331 WeakPolarHBondContact CE-OD2 3.39Å; M128-D331 HydrophobicContact CG-CB 4.29Å; K309-D331 WeakPolarHBondContact CD-O 3.22Å; K309-D331 WeakPolarHBondContact CE-O 3.33Å; K309-D331 PolarHBondContact NZ-O 2.98Å; D331-G344 PolarHBondContact N-O 2.77Å; D331-G344 PolarHBondContact OD2-N 3.02Å
332	I	96.8	Very high	94.5	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.181	C	C	.	.			trans	-98.8	126.7	-162.1	-62.8	-66.9	0	0	0	111.3	H127 L252 Y253 Q338	H127-I332 HydrophobicContact CB-CD1 3.99Å; L252-I332 HydrophobicContact CB-CB 4.41Å; L252-I332 HydrophobicContact CB-CG2 4.02Å; L252-I332 HydrophobicContact CD2-CB 3.76Å; L252-I332 HydrophobicContact CD2-CG1 3.95Å; L252-I332 HydrophobicContact CD2-CG2 4.29Å; Y253-I332 WeakPolarHBondContact CE2-O 3.31Å; I332-Q338 HydrophobicContact CG2-CB 4.07Å
333	N	94.8	Very high	95.2	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.16	C	C	.	.			trans	-87.4	174	167	73.3	30.9	0	0	0	110.5	T269 K309 Q335 Q338	T269-N333 HydrophobicContact CG2-CB 4.49Å; K309-N333 HydrophobicContact CD-CB 4.31Å; K309-N333 HydrophobicContact CG-CB 4.48Å; N333-Q335 VanDerWaalsContact C-N 3.3Å; N333-Q335 PolarHBondContact ND2-OE1 3.06Å; N333-Q335 PolarHBondContact O-N 3.48Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.46Å; N333-Q335 VanDerWaalsContact OD1-CG 3.26Å; N333-Q335 WeakPolarHBondContact OD1-CG 3.47Å; N333-Q335 PolarHBondContact OD1-N 2.83Å; N333-Q335 PolarHBondContact OD1-OE1 2.9Å; N333-Q338 WeakPolarHBondContact OD1-CG 3.46Å
334	R	95.1	Very high	95.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-93.6	35.4	-178.7	-60	-175.3	71.5	-151.1	0.3	113.2	D251 Y253 T267 T269 S275 I276 V286 N288	D251-R334 IonicContact OD1-NE 3.73Å; D251-R334 IonicContact OD2-CZ 2.8Å; D251-R334 IonicContact OD2-NE 3.57Å; D251-R334 PolarHBondContact OD2-NE 2.64Å; D251-R334 IonicContact OD2-NH2 2.7Å; D251-R334 PolarHBondContact OD2-NH2 2.74Å; Y253-R334 HydrophobicContact CD2-CG 3.96Å; Y253-R334 HydrophobicContact CE2-CG 4.47Å; T267-R334 WeakPolarHBondContact OG1-CD 3.23Å; T267-R334 PolarHBondContact OG1-NH1 3.11Å; T269-R334 HydrophobicContact CG2-CG 4.05Å; T269-R334 PolarHBondContact OG1-N 2.87Å; S275-R334 PolarHBondContact OG-O 2.04Å; I276-R334 HydrophobicContact CG1-CB 4.12Å; I276-R334 WeakPolarHBondContact CG1-O 3.45Å; I276-R334 PolarHBondContact N-O 2.82Å; V286-R334 PolarHBondContact O-NH1 2.76Å; V286-R334 VanDerWaalsContact O-NH1 3.09Å; V286-R334 PolarHBondContact O-NH2 3.09Å; N288-R334 PolarHBondContact OD1-NH1 2.86Å
335	Q	93.7	Very high	96.2	Very high	5 Å²	5	23 Å²	23	2%	0.023	11%	0.112	C	C	.	.			trans	-87.1	141.7	173.1	-66.2	175.9	-41.5	0	0	111	G274 N333 H337 Q338	G274-Q335 WeakPolarHBondContact O-CG 3.41Å; G274-Q335 PolarHBondContact O-NE2 3.49Å; N333-Q335 VanDerWaalsContact C-N 3.3Å; N333-Q335 PolarHBondContact ND2-OE1 3.06Å; N333-Q335 PolarHBondContact O-N 3.48Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.46Å; N333-Q335 VanDerWaalsContact OD1-CG 3.26Å; N333-Q335 WeakPolarHBondContact OD1-CG 3.47Å; N333-Q335 PolarHBondContact OD1-N 2.83Å; N333-Q335 PolarHBondContact OD1-OE1 2.9Å; Q335-H337 VanDerWaalsContact C-N 3.25Å; Q335-H337 VanDerWaalsContact CB-CE1 3.49Å; Q335-H337 WeakPolarHBondContact CB-CE1 3.25Å; Q335-H337 PolarHBondContact O-N 3.21Å; Q335-H337 VanDerWaalsContact O-N 3.15Å; Q335-H337 PolarHBondContact OE1-CE1 3.45Å; Q335-H337 PolarHBondContact OE1-NE2 2.9Å; Q335-Q338 HydrophobicContact CB-CG 4.25Å; Q335-Q338 WeakPolarHBondContact O-CB 3.49Å; Q335-Q338 PolarHBondContact O-N 2.9Å
336	P	93	Very high	96.4	Very high	75 Å²	75	22.2 Å²	22.2	49%	0.487	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-52.4	-39.7	-178.5	-28.5	33.7	0	0	0	114.3	I276 Q338 F339	I276-P336 HydrophobicContact CG2-CG 3.74Å; P336-Q338 PolarHBondContact O-N 3.32Å; P336-Q338 VanDerWaalsContact O-N 3.17Å; P336-F339 HydrophobicContact CB-CE2 4.46Å; P336-F339 VanDerWaalsContact O-CB 3.23Å; P336-F339 WeakPolarHBondContact O-CB 3.22Å; P336-F339 WeakPolarHBondContact O-CD2 3.48Å; P336-F339 WeakPolarHBondContact O-CG 3.29Å; P336-F339 PolarHBondContact O-N 2.76Å
337	H	91.8	Very high	96.4	Very high	108 Å²	108	21.4 Å²	21.4	50%	0.5	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	-67.6	-14.5	179.9	68.8	-98.8	0	0	0	113.7	Q335 F339	Q335-H337 VanDerWaalsContact C-N 3.25Å; Q335-H337 VanDerWaalsContact CB-CE1 3.49Å; Q335-H337 WeakPolarHBondContact CB-CE1 3.25Å; Q335-H337 PolarHBondContact O-N 3.21Å; Q335-H337 VanDerWaalsContact O-N 3.15Å; Q335-H337 PolarHBondContact OE1-CE1 3.45Å; Q335-H337 PolarHBondContact OE1-NE2 2.9Å; H337-F339 VanDerWaalsContact C-N 3.28Å
338	Q	94	Very high	96.4	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-80.1	-9.7	173.1	-60.2	-64.9	-34.8	0	0	112.8	H127 K244 I332 N333 Q335 P336 E340 R341	H127-Q338 VanDerWaalsContact CB-OE1 3.25Å; H127-Q338 PolarHBondContact CD2-OE1 3.11Å; K244-Q338 PolarHBondContact NZ-O 3.47Å; I332-Q338 HydrophobicContact CG2-CB 4.07Å; N333-Q338 WeakPolarHBondContact OD1-CG 3.46Å; Q335-Q338 HydrophobicContact CB-CG 4.25Å; Q335-Q338 WeakPolarHBondContact O-CB 3.49Å; Q335-Q338 PolarHBondContact O-N 2.9Å; P336-Q338 PolarHBondContact O-N 3.32Å; P336-Q338 VanDerWaalsContact O-N 3.17Å; Q338-E340 PolarHBondContact O-N 3.4Å; Q338-R341 VanDerWaalsContact NE2-NH1 3.18Å; Q338-R341 PolarHBondContact O-N 3.38Å
339	F	94.8	Very high	96.3	Very high	47 Å²	47	24.5 Å²	24.5	21%	0.206	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.9	177.3	-65.5	-5.9	0	0	0	111.1	K244 G249 D251 I276 P336 H337	K244-F339 PolarHBondContact NZ-O 2.89Å; K244-F339 VanDerWaalsContact NZ-O 3.14Å; G249-F339 PolarHBondContact N-O 2.74Å; D251-F339 HydrophobicContact CB-CE1 3.84Å; D251-F339 HydrophobicContact CB-CZ 4.22Å; I276-F339 HydrophobicContact CD1-CZ 4.09Å; I276-F339 HydrophobicContact CG2-CZ 3.9Å; P336-F339 HydrophobicContact CB-CE2 4.46Å; P336-F339 VanDerWaalsContact O-CB 3.23Å; P336-F339 WeakPolarHBondContact O-CB 3.22Å; P336-F339 WeakPolarHBondContact O-CD2 3.48Å; P336-F339 WeakPolarHBondContact O-CG 3.29Å; P336-F339 PolarHBondContact O-N 2.76Å; H337-F339 VanDerWaalsContact C-N 3.28Å
340	E	94.2	Very high	96.1	Very high	147 Å²	147	25.8 Å²	25.8	69%	0.687	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	17.8	-178.6	-60.7	176	177.3	0	0	113.3	S246 Q338	S246-E340 WeakPolarHBondContact CA-O 3.32Å; S246-E340 WeakPolarHBondContact CB-O 3.24Å; S246-E340 CarbonylContact O-C 3.59Å; S246-E340 WeakPolarHBondContact O-CA 3.35Å; Q338-E340 PolarHBondContact O-N 3.4Å
341	R	95.2	Very high	95.9	Very high	57 Å²	57	30.2 Å²	30.2	22%	0.215	15%	0.146	C	C	.	.	S	Bend	trans	-116	138.2	175.6	-64	-173	67.4	-160.5	4	110.9	D107 H127 K244 Q338	D107-R341 IonicContact OD2-CZ 2.96Å; D107-R341 IonicContact OD2-NH1 3.54Å; D107-R341 IonicContact OD2-NH2 3.78Å; D107-R341 PolarHBondContact OD2-NH2 3.21Å; H127-R341 VanDerWaalsContact CA-NH2 3.3Å; H127-R341 PolarHBondContact ND1-NH1 3.31Å; H127-R341 VanDerWaalsContact ND1-NH1 3.1Å; K244-R341 VanDerWaalsContact CE-O 3.25Å; K244-R341 WeakPolarHBondContact CE-O 3.09Å; Q338-R341 VanDerWaalsContact NE2-NH1 3.18Å; Q338-R341 PolarHBondContact O-N 3.38Å
342	G	96.9	Very high	95.7	Very high	3 Å²	3	36.7 Å²	36.7	3%	0.031	17%	0.174	C	C	.	.			trans	-67.8	154.1	172.1	0	0	0	0	0	112	G126 H127 A190 K244	G126-G342 CarbonylContact C-O 3.57Å; G126-G342 VanDerWaalsContact C-O 3.29Å; G126-G342 WeakPolarHBondContact CA-O 3.3Å; H127-G342 PolarHBondContact N-O 3.42Å; A190-G342 WeakPolarHBondContact O-CA 3.28Å; K244-G342 CarbonylContact O-C 3.54Å; K244-G342 WeakPolarHBondContact O-CA 3.33Å
343	G	98.1	Very high	95.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.7	176.2	177.6	0	0	0	0	0	111.9	K244	K244-G343 WeakPolarHBondContact CG-O 3.38Å; K244-G343 PolarHBondContact N-O 3.48Å; K244-G343 PolarHBondContact O-N 3.06Å
344	G	98.3	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	-173	-172.5	0	0	0	0	0	115.5	F242 G330 D331	F242-G344 CarbonylContact O-C 3.54Å; F242-G344 WeakPolarHBondContact O-CA 3.33Å; G330-G344 WeakPolarHBondContact CA-O 3.37Å; D331-G344 PolarHBondContact N-O 2.77Å; D331-G344 PolarHBondContact OD2-N 3.02Å
345	T	98.8	Very high	95.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	136.7	170	-168.4	0	0	0	0	110.6	F242 L252 Y253 V257 C328 L329	F242-T345 HydrophobicContact CB-CG2 4.17Å; F242-T345 HydrophobicContact CD2-CG2 4.44Å; F242-T345 PolarHBondContact N-O 2.83Å; F242-T345 PolarHBondContact O-N 3.21Å; L252-T345 HydrophobicContact CD2-CG2 4.17Å; Y253-T345 HydrophobicContact CE1-CG2 4.14Å; V257-T345 HydrophobicContact CG2-CG2 3.77Å; C328-T345 HydrophobicContact CB-CG2 4.09Å; C328-T345 WeakPolarHBondContact CB-OG1 3.47Å; L329-T345 PolarHBondContact N-OG1 2.8Å; L329-T345 CarbonylContact O-C 3.57Å; L329-T345 WeakPolarHBondContact O-CA 2.98Å; L329-T345 PolarHBondContact O-OG1 3.3Å
346	M	98.7	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109.5	174.1	-175.4	95.3	58.9	0	0	109.1	W142 I144 L171 V173 L239 H241 C328 L329 I348	W142-M346 HydrophobicContact CD2-CE 4.13Å; W142-M346 HydrophobicContact CE3-CE 3.54Å; W142-M346 HydrophobicContact CH2-CE 4.43Å; W142-M346 HydrophobicContact CZ3-CE 3.71Å; I144-M346 HydrophobicContact CD1-CB 3.77Å; I144-M346 HydrophobicContact CD1-CE 3.57Å; L171-M346 HydrophobicContact CD2-CB 3.95Å; L171-M346 HydrophobicContact CD2-CG 3.83Å; V173-M346 HydrophobicContact CG2-CE 4Å; L239-M346 HydrophobicContact CB-SD 3.98Å; L239-M346 HydrophobicContact CD1-SD 4.03Å; L239-M346 HydrophobicContact CD2-CG 4.44Å; L239-M346 HydrophobicContact CD2-SD 4.49Å; L239-M346 HydrophobicContact CG-SD 4.41Å; H241-M346 HydrophobicContact CB-SD 4.23Å; C328-M346 CarbonylContact C-O 3.53Å; C328-M346 VanDerWaalsContact CA-O 3.24Å; C328-M346 WeakPolarHBondContact CA-O 3.28Å; L329-M346 PolarHBondContact N-O 2.93Å; L329-M346 PolarHBondContact O-N 2.81Å; M346-I348 HydrophobicContact CG-CG1 4.43Å
347	C	98.7	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.7	173.5	-61.9	0	0	0	0	110.9	L239 N240 F242 W326 I327 C328	L239-C347 CarbonylContact C-O 3.57Å; L239-C347 WeakPolarHBondContact CA-O 3.26Å; N240-C347 HydrophobicContact CB-CB 4.36Å; N240-C347 PolarHBondContact N-O 2.9Å; N240-C347 PolarHBondContact O-N 2.92Å; F242-C347 HydrophobicContact CD2-CB 4.43Å; F242-C347 HydrophobicContact CE2-CB 4.08Å; F242-C347 VanDerWaalsContact CE2-SG 3.6Å; W326-C347 HydrophobicContact CE3-CB 3.83Å; W326-C347 HydrophobicContact CZ3-CB 4.45Å; I327-C347 CarbonylContact O-C 3.53Å; I327-C347 WeakPolarHBondContact O-CA 3.23Å; C328-C347 HydrophobicContact CB-CB 4.09Å; C328-C347 WeakPolarHBondContact CB-SG 3.09Å; C328-C347 WeakPolarHBondContact SG-CB 3.13Å; C328-C347 CovalentContact SG-SG 2.04Å; C328-C347 PolarHBondContact SG-SG 2.72Å
348	I	98.3	Very high	96.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.1	-177	-52	174.2	0	0	0	108.1	L171 F237 L239 W326 I327 L329 M346 D350 L353	L171-I348 HydrophobicContact CD1-CD1 3.88Å; L171-I348 HydrophobicContact CD2-CD1 4.05Å; F237-I348 HydrophobicContact CB-CG2 3.9Å; F237-I348 HydrophobicContact CD1-CG2 3.82Å; F237-I348 HydrophobicContact CD2-CD1 4.35Å; F237-I348 HydrophobicContact CD2-CG2 3.5Å; F237-I348 HydrophobicContact CE1-CG2 4.19Å; F237-I348 HydrophobicContact CE2-CD1 4.3Å; F237-I348 HydrophobicContact CE2-CG2 3.82Å; F237-I348 HydrophobicContact CG-CG2 3.49Å; F237-I348 VanDerWaalsContact CG-CG2 3.49Å; F237-I348 HydrophobicContact CZ-CG2 4.16Å; L239-I348 HydrophobicContact CD2-CB 4.22Å; L239-I348 HydrophobicContact CD2-CD1 4.43Å; L239-I348 HydrophobicContact CD2-CG1 3.67Å; L239-I348 HydrophobicContact CD2-CG2 4.09Å; W326-I348 WeakPolarHBondContact CA-O 3.24Å; I327-I348 HydrophobicContact CG2-CB 3.98Å; I327-I348 PolarHBondContact N-O 3.45Å; I327-I348 VanDerWaalsContact N-O 3.12Å; I327-I348 PolarHBondContact O-N 3.03Å; L329-I348 HydrophobicContact CD1-CD1 4.1Å; M346-I348 HydrophobicContact CG-CG1 4.43Å; I348-D350 HydrophobicContact CG2-CB 4.16Å; I348-D350 PolarHBondContact O-N 3.39Å; I348-L353 HydrophobicContact CB-CD2 4.33Å; I348-L353 HydrophobicContact CD1-CD2 3.77Å; I348-L353 HydrophobicContact CG2-CD2 4.07Å
349	Q	95.8	Very high	96.5	Very high	65 Å²	65	39.9 Å²	39.9	30%	0.304	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	90.5	174.4	-171.4	-176.6	-14.3	0	0	109.7	Q238 N324 W326	Q238-Q349 PolarHBondContact O-N 2.84Å; N324-Q349 HydrophobicContact CB-CG 4.33Å; N324-Q349 PolarHBondContact ND2-NE2 3.46Å; N324-Q349 PolarHBondContact OD1-NE2 2.98Å; W326-Q349 HydrophobicContact CD2-CB 3.91Å; W326-Q349 HydrophobicContact CD2-CG 4.34Å; W326-Q349 HydrophobicContact CE3-CB 3.7Å; W326-Q349 HydrophobicContact CH2-CB 3.6Å; W326-Q349 HydrophobicContact CH2-CG 4.23Å; W326-Q349 HydrophobicContact CZ2-CB 3.79Å; W326-Q349 HydrophobicContact CZ2-CG 3.93Å; W326-Q349 VanDerWaalsContact CZ2-OE1 3.32Å; W326-Q349 HydrophobicContact CZ3-CB 3.56Å
350	D	95.2	Very high	96.6	Very high	28 Å²	28	38 Å²	38	15%	0.15	18%	0.178	C	C	.	.			trans	-150.6	123.9	176.5	179.3	-89.5	0	0	0	111.6	R69 F237 I348 K352 L353 W354	R69-D350 IonicContact CZ-OD1 3.77Å; R69-D350 IonicContact CZ-OD2 2.7Å; R69-D350 IonicContact NH2-OD1 3.99Å; R69-D350 PolarHBondContact NH2-OD1 3.21Å; R69-D350 IonicContact NH2-OD2 3.22Å; R69-D350 PolarHBondContact NH2-OD2 3.38Å; F237-D350 HydrophobicContact CD1-CB 3.86Å; F237-D350 HydrophobicContact CE1-CB 3.53Å; F237-D350 VanDerWaalsContact CE1-CG 3.48Å; F237-D350 WeakPolarHBondContact CE1-OD2 3.38Å; F237-D350 HydrophobicContact CZ-CB 4.3Å; I348-D350 HydrophobicContact CG2-CB 4.16Å; I348-D350 PolarHBondContact O-N 3.39Å; D350-K352 PolarHBondContact O-N 2.81Å; D350-K352 PolarHBondContact OD1-N 3.31Å; D350-L353 HydrophobicContact CB-CB 4.05Å; D350-L353 WeakPolarHBondContact OD1-CB 3.39Å; D350-L353 PolarHBondContact OD1-N 2.92Å; D350-W354 WeakPolarHBondContact O-CB 3.43Å; D350-W354 PolarHBondContact O-N 2.86Å
351	Q	94.1	Very high	96.8	Very high	94 Å²	94	32.6 Å²	32.6	44%	0.439	15%	0.154	S	C	.	.	H	α-helix	trans	-64.8	-40.8	-174.3	-174.9	60.5	26.5	0	0	113.1	N325 W354 Q355	N325-Q351 PolarHBondContact ND2-OE1 2.91Å; Q351-W354 VanDerWaalsContact NE2-CE3 3.28Å; Q351-Q355 VanDerWaalsContact O-CB 3.24Å; Q351-Q355 WeakPolarHBondContact O-CB 3.33Å; Q351-Q355 PolarHBondContact O-N 2.02Å
352	K	94.3	Very high	96.9	Very high	137 Å²	137	35 Å²	35	60%	0.596	17%	0.168	S	C	*	.	H	α-helix	trans	-74	-41.1	-175.2	-68.8	-177.9	177.5	178.7	0	111.4	D350 Q355 S356	D350-K352 PolarHBondContact O-N 2.81Å; D350-K352 PolarHBondContact OD1-N 3.31Å; K352-Q355 PolarHBondContact O-N 3.39Å; K352-S356 PolarHBondContact O-N 3.01Å; K352-S356 PolarHBondContact O-OG 3.48Å
353	L	96.1	Very high	96.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-67.1	-48.1	177.1	-170.7	67	0	0	0	109.9	W49 V51 M64 F237 I327 I348 D350 Q355 S356 F357	W49-L353 HydrophobicContact CH2-CD1 4.29Å; W49-L353 HydrophobicContact CZ3-CD1 4.19Å; V51-L353 HydrophobicContact CG1-CD1 3.79Å; M64-L353 HydrophobicContact CE-CD1 3.65Å; M64-L353 HydrophobicContact SD-CD1 4.32Å; F237-L353 HydrophobicContact CE2-CD2 3.94Å; F237-L353 HydrophobicContact CZ-CB 4.5Å; F237-L353 HydrophobicContact CZ-CD2 3.8Å; I327-L353 HydrophobicContact CG2-CB 4.34Å; I327-L353 HydrophobicContact CG2-CD2 3.61Å; I327-L353 HydrophobicContact CG2-CG 3.81Å; I348-L353 HydrophobicContact CB-CD2 4.33Å; I348-L353 HydrophobicContact CD1-CD2 3.77Å; I348-L353 HydrophobicContact CG2-CD2 4.07Å; D350-L353 HydrophobicContact CB-CB 4.05Å; D350-L353 WeakPolarHBondContact OD1-CB 3.39Å; D350-L353 PolarHBondContact OD1-N 2.92Å; L353-Q355 VanDerWaalsContact C-N 3.34Å; L353-Q355 PolarHBondContact O-N 2.87Å; L353-S356 PolarHBondContact O-N 2.83Å; L353-F357 HydrophobicContact CD1-CD2 4.49Å; L353-F357 HydrophobicContact CD1-CE2 4.17Å; L353-F357 HydrophobicContact CG-CE2 4.49Å; L353-F357 WeakPolarHBondContact O-CD2 3.26Å; L353-F357 PolarHBondContact O-N 3.43Å
354	W	96.9	Very high	96.8	Very high	7 Å²	7	43.6 Å²	43.6	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-54.2	-49.9	172.9	168.6	80.7	0	0	0	111.5	T313 P315 N325 W326 D350 Q351 S356 F357 Y358	T313-W354 PolarHBondContact O-NE1 3.06Å; T313-W354 PolarHBondContact OG1-NE1 2.81Å; P315-W354 HydrophobicContact CG-CH2 3.46Å; P315-W354 VanDerWaalsContact CG-CH2 3.46Å; P315-W354 HydrophobicContact CG-CZ2 3.39Å; N325-W354 HydrophobicContact CB-CB 4.13Å; N325-W354 HydrophobicContact CB-CD2 3.46Å; N325-W354 VanDerWaalsContact CB-CD2 3.46Å; N325-W354 HydrophobicContact CB-CE3 3.95Å; N325-W354 HydrophobicContact CB-CG 3.5Å; W326-W354 VanDerWaalsContact O-CD1 3.31Å; D350-W354 WeakPolarHBondContact O-CB 3.43Å; D350-W354 PolarHBondContact O-N 2.86Å; Q351-W354 VanDerWaalsContact NE2-CE3 3.28Å; W354-S356 VanDerWaalsContact C-N 3.28Å; W354-S356 PolarHBondContact O-N 2.94Å; W354-F357 PolarHBondContact O-N 3.11Å; W354-F357 VanDerWaalsContact O-N 3.17Å; W354-Y358 AromaticContact CE2-CG 4Å; W354-Y358 AromaticContact CH2-CD1 3.85Å; W354-Y358 HydrophobicContact CH2-CD1 3.85Å; W354-Y358 HydrophobicContact CH2-CD2 4.38Å; W354-Y358 HydrophobicContact CH2-CE1 4.32Å; W354-Y358 AromaticContact CH2-CG 3.88Å; W354-Y358 HydrophobicContact CH2-CG 3.88Å; W354-Y358 AromaticContact CZ2-CD1 3.88Å; W354-Y358 HydrophobicContact CZ2-CD1 3.88Å; W354-Y358 AromaticContact CZ2-CD2 3.59Å; W354-Y358 HydrophobicContact CZ2-CD2 3.59Å; W354-Y358 HydrophobicContact CZ2-CE1 4.37Å; W354-Y358 HydrophobicContact CZ2-CE2 4.13Å; W354-Y358 AromaticContact CZ2-CG 3.45Å; W354-Y358 HydrophobicContact CZ2-CG 3.45Å; W354-Y358 VanDerWaalsContact CZ2-CG 3.45Å; W354-Y358 VanDerWaalsContact O-CB 3.32Å; W354-Y358 WeakPolarHBondContact O-CB 3.21Å; W354-Y358 PolarHBondContact O-N 3.31Å
355	Q	95.7	Very high	96.6	Very high	68 Å²	68	45.8 Å²	45.8	32%	0.318	21%	0.214	S	C	.	.	H	α-helix	trans	-58.3	-41.4	-179.8	-171.7	74.6	58.2	0	0	111.5	Q351 K352 L353 F357 Y358 D359	Q351-Q355 VanDerWaalsContact O-CB 3.24Å; Q351-Q355 WeakPolarHBondContact O-CB 3.33Å; Q351-Q355 PolarHBondContact O-N 2.02Å; K352-Q355 PolarHBondContact O-N 3.39Å; L353-Q355 VanDerWaalsContact C-N 3.34Å; L353-Q355 PolarHBondContact O-N 2.87Å; Q355-F357 VanDerWaalsContact C-N 3.31Å; Q355-F357 PolarHBondContact O-N 3.46Å; Q355-Y358 PolarHBondContact O-N 3.41Å; Q355-D359 VanDerWaalsContact NE2-CG 3.31Å; Q355-D359 PolarHBondContact NE2-OD1 3.41Å; Q355-D359 PolarHBondContact NE2-OD2 3.49Å; Q355-D359 VanDerWaalsContact O-CB 3.29Å; Q355-D359 WeakPolarHBondContact O-CB 3.41Å; Q355-D359 VanDerWaalsContact O-CG 3.29Å; Q355-D359 PolarHBondContact O-N 2.9Å
356	S	95.6	Very high	96.2	Very high	16 Å²	16	53.2 Å²	53.2	11%	0.112	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-36.6	-179.9	-60.7	0	0	0	0	113	W71 K352 L353 W354 S360	W71-S356 PolarHBondContact NE1-O 3.32Å; K352-S356 PolarHBondContact O-N 3.01Å; K352-S356 PolarHBondContact O-OG 3.48Å; L353-S356 PolarHBondContact O-N 2.83Å; W354-S356 VanDerWaalsContact C-N 3.28Å; W354-S356 PolarHBondContact O-N 2.94Å; S356-S360 PolarHBondContact O-OG 3.22Å
357	F	97.3	Very high	95.6	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.009	26%	0.263	C	S	.	.	H	α-helix	trans	-78.7	-42.4	174.1	-83.1	-97.3	0	0	0	112	V51 M64 W71 W310 V312 I327 L329 L353 W354 Q355 D359 S360 V361	V51-F357 HydrophobicContact CG1-CE2 4.17Å; V51-F357 HydrophobicContact CG1-CZ 4.48Å; V51-F357 HydrophobicContact CG2-CE2 4.21Å; V51-F357 HydrophobicContact CG2-CZ 3.81Å; M64-F357 HydrophobicContact CE-CD2 4.28Å; M64-F357 HydrophobicContact CE-CE2 3.85Å; W71-F357 HydrophobicContact CH2-CE1 4.31Å; W71-F357 AromaticContact CH2-CE2 3.92Å; W71-F357 HydrophobicContact CH2-CE2 3.92Å; W71-F357 AromaticContact CH2-CZ 3.64Å; W71-F357 HydrophobicContact CH2-CZ 3.64Å; W71-F357 HydrophobicContact CZ2-CD1 4.49Å; W71-F357 HydrophobicContact CZ2-CD2 4.16Å; W71-F357 HydrophobicContact CZ2-CE1 4.07Å; W71-F357 AromaticContact CZ2-CE2 3.69Å; W71-F357 HydrophobicContact CZ2-CE2 3.69Å; W71-F357 AromaticContact CZ2-CZ 3.64Å; W71-F357 HydrophobicContact CZ2-CZ 3.64Å; W310-F357 AromaticContact CD2-CD1 3.68Å; W310-F357 HydrophobicContact CD2-CD1 3.68Å; W310-F357 HydrophobicContact CD2-CE1 4.07Å; W310-F357 AromaticContact CE2-CD1 3.81Å; W310-F357 HydrophobicContact CE3-CB 4.42Å; W310-F357 AromaticContact CE3-CD1 3.73Å; W310-F357 HydrophobicContact CE3-CD1 3.73Å; W310-F357 HydrophobicContact CE3-CG 4.49Å; W310-F357 HydrophobicContact CG-CD1 4.27Å; W310-F357 HydrophobicContact CG-CE1 4.19Å; W310-F357 HydrophobicContact CH2-CB 4.29Å; W310-F357 HydrophobicContact CH2-CD1 4.02Å; W310-F357 AromaticContact CZ2-CD1 3.95Å; W310-F357 HydrophobicContact CZ2-CD1 3.95Å; W310-F357 HydrophobicContact CZ3-CB 4Å; W310-F357 AromaticContact CZ3-CD1 3.92Å; W310-F357 HydrophobicContact CZ3-CD1 3.92Å; W310-F357 HydrophobicContact CZ3-CG 4.46Å; V312-F357 HydrophobicContact CG1-CB 3.59Å; I327-F357 HydrophobicContact CD1-CB 3.79Å; I327-F357 HydrophobicContact CD1-CD1 3.59Å; I327-F357 HydrophobicContact CD1-CD2 4.01Å; I327-F357 HydrophobicContact CD1-CE1 4.12Å; I327-F357 HydrophobicContact CD1-CE2 4.5Å; I327-F357 HydrophobicContact CD1-CG 3.52Å; I327-F357 HydrophobicContact CG1-CB 4.42Å; I327-F357 HydrophobicContact CG1-CD1 4.34Å; I327-F357 HydrophobicContact CG1-CD2 3.94Å; I327-F357 HydrophobicContact CG1-CE2 4.25Å; I327-F357 HydrophobicContact CG1-CG 3.98Å; L329-F357 HydrophobicContact CD2-CE1 4.23Å; L329-F357 HydrophobicContact CD2-CZ 3.97Å; L353-F357 HydrophobicContact CD1-CD2 4.49Å; L353-F357 HydrophobicContact CD1-CE2 4.17Å; L353-F357 HydrophobicContact CG-CE2 4.49Å; L353-F357 WeakPolarHBondContact O-CD2 3.26Å; L353-F357 PolarHBondContact O-N 3.43Å; W354-F357 PolarHBondContact O-N 3.11Å; W354-F357 VanDerWaalsContact O-N 3.17Å; Q355-F357 VanDerWaalsContact C-N 3.31Å; Q355-F357 PolarHBondContact O-N 3.46Å; F357-D359 PolarHBondContact O-N 3.06Å; F357-S360 VanDerWaalsContact O-CB 3.3Å; F357-S360 WeakPolarHBondContact O-CB 2.94Å; F357-S360 PolarHBondContact O-N 2.71Å; F357-V361 PolarHBondContact O-N 2.8Å
358	Y	97	Very high	94.4	Very high	74 Å²	74	58.3 Å²	58.3	29%	0.29	28%	0.284	S	S	.	.	H	α-helix	trans	-60.4	-44.9	179.1	-174.1	-99.8	0	0	0	111.8	V312 W354 Q355 S360 V361	V312-Y358 HydrophobicContact CG2-CD2 4.03Å; W354-Y358 AromaticContact CE2-CG 4Å; W354-Y358 AromaticContact CH2-CD1 3.85Å; W354-Y358 HydrophobicContact CH2-CD1 3.85Å; W354-Y358 HydrophobicContact CH2-CD2 4.38Å; W354-Y358 HydrophobicContact CH2-CE1 4.32Å; W354-Y358 AromaticContact CH2-CG 3.88Å; W354-Y358 HydrophobicContact CH2-CG 3.88Å; W354-Y358 AromaticContact CZ2-CD1 3.88Å; W354-Y358 HydrophobicContact CZ2-CD1 3.88Å; W354-Y358 AromaticContact CZ2-CD2 3.59Å; W354-Y358 HydrophobicContact CZ2-CD2 3.59Å; W354-Y358 HydrophobicContact CZ2-CE1 4.37Å; W354-Y358 HydrophobicContact CZ2-CE2 4.13Å; W354-Y358 AromaticContact CZ2-CG 3.45Å; W354-Y358 HydrophobicContact CZ2-CG 3.45Å; W354-Y358 VanDerWaalsContact CZ2-CG 3.45Å; W354-Y358 VanDerWaalsContact O-CB 3.32Å; W354-Y358 WeakPolarHBondContact O-CB 3.21Å; W354-Y358 PolarHBondContact O-N 3.31Å; Q355-Y358 PolarHBondContact O-N 3.41Å; Y358-S360 PolarHBondContact O-N 2.58Å; Y358-V361 WeakPolarHBondContact O-CB 3.44Å; Y358-V361 WeakPolarHBondContact O-CG2 3.35Å; Y358-V361 PolarHBondContact O-N 3.13Å
359	D	96.3	Very high	92.5	Very high	91 Å²	91	67.8 Å²	67.8	49%	0.487	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17	176.3	-72.9	-10.9	0	0	0	113.3	Q355 F357 V361	Q355-D359 VanDerWaalsContact NE2-CG 3.31Å; Q355-D359 PolarHBondContact NE2-OD1 3.41Å; Q355-D359 PolarHBondContact NE2-OD2 3.49Å; Q355-D359 VanDerWaalsContact O-CB 3.29Å; Q355-D359 WeakPolarHBondContact O-CB 3.41Å; Q355-D359 VanDerWaalsContact O-CG 3.29Å; Q355-D359 PolarHBondContact O-N 2.9Å; F357-D359 PolarHBondContact O-N 3.06Å; D359-V361 VanDerWaalsContact C-N 3.33Å
360	S	97.1	Very high	90.4	Very high	9 Å²	9	68.5 Å²	68.5	6%	0.063	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.9	174	-57.3	0	0	0	0	111.8	I292 Y293 S356 F357 Y358 Q362	I292-S360 CarbonylContact C-O 3.56Å; I292-S360 WeakPolarHBondContact CA-O 3.39Å; I292-S360 VanDerWaalsContact CB-O 3.3Å; I292-S360 WeakPolarHBondContact CB-O 3.1Å; Y293-S360 PolarHBondContact N-O 2.8Å; S356-S360 PolarHBondContact O-OG 3.22Å; F357-S360 VanDerWaalsContact O-CB 3.3Å; F357-S360 WeakPolarHBondContact O-CB 2.94Å; F357-S360 PolarHBondContact O-N 2.71Å; Y358-S360 PolarHBondContact O-N 2.58Å; S360-Q362 PolarHBondContact O-N 2.93Å
361	V	97.8	Very high	88.3	Confident	32 Å²	32	70.4 Å²	70.4	19%	0.194	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	113.5	179.5	-178.2	0	0	0	0	109.9	I289 W310 V312 F357 Y358 D359 V364	I289-V361 HydrophobicContact CD1-CG1 4.36Å; I289-V361 HydrophobicContact CD1-CG2 3.67Å; I289-V361 HydrophobicContact CG1-CG1 4.12Å; I289-V361 HydrophobicContact CG1-CG2 4.34Å; I289-V361 HydrophobicContact CG2-CG1 4.31Å; W310-V361 HydrophobicContact CH2-CG2 3.94Å; W310-V361 HydrophobicContact CZ3-CG2 4.39Å; V312-V361 HydrophobicContact CG2-CG2 4.3Å; F357-V361 PolarHBondContact O-N 2.8Å; Y358-V361 WeakPolarHBondContact O-CB 3.44Å; Y358-V361 WeakPolarHBondContact O-CG2 3.35Å; Y358-V361 PolarHBondContact O-N 3.13Å; D359-V361 VanDerWaalsContact C-N 3.33Å; V361-V364 HydrophobicContact CG1-CG1 3.66Å
362	Q	97	Very high	86.1	Confident	108 Å²	108	73.1 Å²	73.1	51%	0.505	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-40.2	-180	-176.6	174.2	46	0	0	112	S291 T300 S360	S291-Q362 WeakPolarHBondContact O-CB 3.08Å; S291-Q362 PolarHBondContact O-N 3.36Å; T300-Q362 VanDerWaalsContact CG2-OE1 3.27Å; T300-Q362 PolarHBondContact OG1-OE1 2.89Å; S360-Q362 PolarHBondContact O-N 2.93Å
363	R	97.2	Very high	83.9	Confident	145 Å²	145	70.4 Å²	70.4	55%	0.547	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.8	-179.3	-169	174.1	178.2	-151.1	-9.4	111	E290 S291	E290-R363 HydrophobicContact CB-CB 4.28Å; E290-R363 HydrophobicContact CB-CG 4.3Å; E290-R363 PolarHBondContact N-O 2.92Å; E290-R363 WeakPolarHBondContact OE2-CD 3.15Å; E290-R363 WeakPolarHBondContact OE2-CG 3.3Å; E290-R363 IonicContact OE2-CZ 3.06Å; E290-R363 IonicContact OE2-NE 2.76Å; E290-R363 PolarHBondContact OE2-NE 3Å; E290-R363 IonicContact OE2-NH1 3.69Å; E290-R363 PolarHBondContact OE2-NH1 3.13Å; E290-R363 IonicContact OE2-NH2 3.91Å; S291-R363 PolarHBondContact N-O 3.26Å; S291-R363 PolarHBondContact O-N 2.81Å; S291-R363 VanDerWaalsContact O-N 3.14Å; S291-R363 WeakPolarHBondContact OG-CB 3.32Å
364	V	96.5	Very high	81.9	Confident	38 Å²	38	74.7 Å²	74.7	23%	0.23	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.1	172.7	-63.7	0	0	0	0	109.7	D266 K287 N288 I289 V361 E366	D266-V364 HydrophobicContact CB-CG1 4.26Å; K287-V364 HydrophobicContact CD-CG2 4.35Å; N288-V364 CarbonylContact O-C 3.55Å; N288-V364 WeakPolarHBondContact O-CA 3.47Å; I289-V364 HydrophobicContact CG1-CG1 4.12Å; V361-V364 HydrophobicContact CG1-CG1 3.66Å; V364-E366 PolarHBondContact O-N 3.36Å
365	E	95	Very high	79.9	Confident	47 Å²	47	80.6 Å²	80.6	22%	0.22	40%	0.397	C	S	.	.			trans	-59.6	129.7	174.2	-179.1	-166	-179.5	0	0	109.3	S278 N288 E290	S278-E365 WeakPolarHBondContact CB-OE2 3.26Å; S278-E365 PolarHBondContact N-OE2 3.15Å; S278-E365 WeakPolarHBondContact OG-CB 3.33Å; S278-E365 PolarHBondContact OG-OE2 3.3Å; N288-E365 HydrophobicContact CB-CB 4.04Å; N288-E365 WeakPolarHBondContact CB-OE2 3.49Å; N288-E365 PolarHBondContact ND2-OE2 3.49Å; N288-E365 PolarHBondContact O-N 3.11Å; E290-E365 HydrophobicContact CG-CB 4.25Å
366	E	89.6	Confident	78.1	Confident	156 Å²	156	80.2 Å²	80.2	73%	0.729	41%	0.405	S	S	*	.			trans	-75.3	140.8	179.9	-67.1	-171.5	178.8	0	0	111.6	V364 S368	V364-E366 PolarHBondContact O-N 3.36Å; E366-S368 PolarHBondContact O-N 3.25Å
367	C	86	Confident	76.3	Confident	45 Å²	45	86.7 Å²	86.7	30%	0.304	43%	0.431	S	S	.	.			trans	-67.8	108	168.5	-57.4	0	0	0	0	108.9	C280 K369	C280-C367 HydrophobicContact CB-CB 3.58Å; C280-C367 WeakPolarHBondContact CB-SG 3.19Å; C280-C367 WeakPolarHBondContact SG-CA 3.3Å; C280-C367 WeakPolarHBondContact SG-CB 3.46Å; C280-C367 CovalentContact SG-SG 2.02Å; C280-C367 PolarHBondContact SG-SG 2.97Å; C367-K369 PolarHBondContact O-N 3.48Å
368	S	72.7	Confident	74.6	Confident	62 Å²	62	95 Å²	95	43%	0.434	46%	0.463	S	S	.	.			trans	-55.6	128.2	178.4	74.8	0	0	0	0	110.5	E366 T370 V371	E366-S368 PolarHBondContact O-N 3.25Å; S368-T370 PolarHBondContact O-N 3.37Å; S368-V371 WeakPolarHBondContact OG-CG2 3.45Å
369	K	60.2	Low	73.1	Confident	198 Å²	198	97 Å²	97	86%	0.861	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.3	172.6	-67.3	-177.5	179.9	176.8	0	112.2	C367	C367-K369 PolarHBondContact O-N 3.48Å
370	T	51.1	Low	71.9	Confident	80 Å²	80	99.5 Å²	99.5	49%	0.491	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-12	-159.1	-34.5	0	0	0	0	114.7	S368 Y372 T373 I374	S368-T370 PolarHBondContact O-N 3.37Å; T370-Y372 VanDerWaalsContact C-N 3.32Å; T370-Y372 PolarHBondContact O-N 3.07Å; T370-T373 PolarHBondContact O-N 2.99Å; T370-T373 PolarHBondContact O-OG1 3.31Å; T370-I374 HydrophobicContact CG2-CD1 4.28Å; T370-I374 PolarHBondContact O-N 2.92Å
371	V	51.4	Low	70.6	Confident	68 Å²	68	103.2 Å²	103.2	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-68.2	-33.3	179.8	175.3	0	0	0	0	111.5	S368 T373 I374 F375	S368-V371 WeakPolarHBondContact OG-CG2 3.45Å; V371-T373 PolarHBondContact O-N 2.93Å; V371-I374 PolarHBondContact O-N 2.83Å; V371-F375 HydrophobicContact CG1-CD2 3.62Å; V371-F375 HydrophobicContact CG1-CE2 3.92Å; V371-F375 PolarHBondContact O-N 3.42Å; V371-F375 VanDerWaalsContact O-N 3.07Å
372	Y	47.6	Very low	69.2	Low	151 Å²	151	111 Å²	111	59%	0.592	53%	0.533	S	S	*	.	H	α-helix	trans	-64.9	-39.1	176.3	-82	-83	0	0	0	112.9	H281 T370 A376	H281-Y372 AromaticContact CD2-CE2 3.97Å; H281-Y372 AromaticContact CE1-CE2 3.59Å; H281-Y372 AromaticContact CG-CE2 4Å; H281-Y372 AromaticContact ND1-CE2 3.76Å; H281-Y372 AromaticContact NE2-CE2 3.72Å; T370-Y372 VanDerWaalsContact C-N 3.32Å; T370-Y372 PolarHBondContact O-N 3.07Å; Y372-A376 WeakPolarHBondContact O-CB 3.48Å; Y372-A376 PolarHBondContact O-N 3.47Å
373	T	47.4	Very low	68.2	Low	81 Å²	81	110.7 Å²	110.7	50%	0.497	53%	0.534	S	S	.	.	H	α-helix	trans	-72.2	-34.4	-178.7	11.3	0	0	0	0	112.4	T370 V371 K377	T370-T373 PolarHBondContact O-N 2.99Å; T370-T373 PolarHBondContact O-OG1 3.31Å; V371-T373 PolarHBondContact O-N 2.93Å; T373-K377 WeakPolarHBondContact O-CB 3.23Å; T373-K377 VanDerWaalsContact O-CG 3.26Å; T373-K377 WeakPolarHBondContact O-CG 3.49Å; T373-K377 PolarHBondContact O-N 2.86Å
374	I	53.7	Low	67.1	Low	91 Å²	91	107.8 Å²	107.8	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-78.1	-43.6	-179.7	-60.8	172.6	0	0	0	111.3	T370 V371 R378	T370-I374 HydrophobicContact CG2-CD1 4.28Å; T370-I374 PolarHBondContact O-N 2.92Å; V371-I374 PolarHBondContact O-N 2.83Å; I374-R378 WeakPolarHBondContact O-CB 2.99Å; I374-R378 PolarHBondContact O-N 2.83Å
375	F	54.7	Low	66	Low	131 Å²	131	109.1 Å²	109.1	58%	0.575	54%	0.537	S	S	*	.	H	α-helix	trans	-69.7	-41.3	175.9	-87.8	-88.7	0	0	0	112.1	V371 R378 L379	V371-F375 HydrophobicContact CG1-CD2 3.62Å; V371-F375 HydrophobicContact CG1-CE2 3.92Å; V371-F375 PolarHBondContact O-N 3.42Å; V371-F375 VanDerWaalsContact O-N 3.07Å; F375-R378 PolarHBondContact O-N 3.47Å; F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 3.29Å
376	A	58.6	Low	64.9	Low	59 Å²	59	112 Å²	112	49%	0.488	55%	0.553	S	S	.	*	H	α-helix	trans	-62	-44.9	173.6	0	0	0	0	0	111	Y372 R378 L379 F380	Y372-A376 WeakPolarHBondContact O-CB 3.48Å; Y372-A376 PolarHBondContact O-N 3.47Å; A376-R378 PolarHBondContact O-N 3.04Å; A376-L379 PolarHBondContact O-N 3.28Å; A376-F380 VanDerWaalsContact O-CB 3.23Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.33Å
377	K	57.3	Low	64.3	Low	153 Å²	153	108.3 Å²	108.3	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-58.1	-48.3	173.7	-85.4	-177.5	173.3	-175.2	0	111.9	T373 L379 F380 T381	T373-K377 WeakPolarHBondContact O-CB 3.23Å; T373-K377 VanDerWaalsContact O-CG 3.26Å; T373-K377 WeakPolarHBondContact O-CG 3.49Å; T373-K377 PolarHBondContact O-N 2.86Å; K377-L379 PolarHBondContact O-N 2.83Å; K377-F380 PolarHBondContact O-N 3.37Å; K377-T381 WeakPolarHBondContact O-CB 3.4Å; K377-T381 PolarHBondContact O-N 2.97Å; K377-T381 PolarHBondContact O-OG1 3.02Å
378	R	62.5	Low	63.8	Low	177 Å²	177	112 Å²	112	67%	0.668	55%	0.551	S	S	*	*	H	α-helix	trans	-63.2	-40.2	179	-80	-176.4	173.3	-173.1	-1.1	113.2	I374 F375 A376 R382	I374-R378 WeakPolarHBondContact O-CB 2.99Å; I374-R378 PolarHBondContact O-N 2.83Å; F375-R378 PolarHBondContact O-N 3.47Å; A376-R378 PolarHBondContact O-N 3.04Å; R378-R382 WeakPolarHBondContact O-CG 3.41Å; R378-R382 PolarHBondContact O-N 2.69Å
379	L	65.2	Low	63.9	Low	116 Å²	116	113.1 Å²	113.1	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-65.7	-44.7	174.4	-111.7	111.8	0	0	0	111.1	F375 A376 K377 R382 L383	F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 3.29Å; A376-L379 PolarHBondContact O-N 3.28Å; K377-L379 PolarHBondContact O-N 2.83Å; L379-R382 PolarHBondContact O-N 3.46Å; L379-L383 WeakPolarHBondContact O-CB 3.14Å; L379-L383 PolarHBondContact O-N 3.49Å
380	F	71.1	Confident	64.6	Low	142 Å²	142	107.5 Å²	107.5	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-63.7	-41.9	179	-144.2	-91.4	0	0	0	111.3	A376 K377 L383 L384	A376-F380 VanDerWaalsContact O-CB 3.23Å; A376-F380 WeakPolarHBondContact O-CB 3.47Å; A376-F380 PolarHBondContact O-N 3.33Å; K377-F380 PolarHBondContact O-N 3.37Å; F380-L383 PolarHBondContact O-N 2.98Å; F380-L384 HydrophobicContact CD1-CD1 3.76Å; F380-L384 HydrophobicContact CD1-CG 4.22Å; F380-L384 HydrophobicContact CE1-CD1 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.45Å; F380-L384 WeakPolarHBondContact O-CB 3.42Å; F380-L384 WeakPolarHBondContact O-CG 3.16Å; F380-L384 PolarHBondContact O-N 2.94Å
381	T	70.1	Confident	65.7	Low	87 Å²	87	109.5 Å²	109.5	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-46	174.3	-50.7	0	0	0	0	111.2	K377 L383 L384 T385	K377-T381 WeakPolarHBondContact O-CB 3.4Å; K377-T381 PolarHBondContact O-N 2.97Å; K377-T381 PolarHBondContact O-OG1 3.02Å; T381-L383 VanDerWaalsContact C-N 3.34Å; T381-L383 PolarHBondContact O-N 3.47Å; T381-L384 PolarHBondContact O-N 2.84Å; T381-T385 PolarHBondContact O-N 3.32Å; T381-T385 PolarHBondContact O-OG1 3.26Å
382	R	69.4	Low	66.9	Low	196 Å²	196	113.6 Å²	113.6	74%	0.74	55%	0.549	S	S	*	.	H	α-helix	trans	-63.8	-37.3	176.3	-79.3	-173	170.8	-160.6	-3	112.8	R378 L379 T385 L386	R378-R382 WeakPolarHBondContact O-CG 3.41Å; R378-R382 PolarHBondContact O-N 2.69Å; L379-R382 PolarHBondContact O-N 3.46Å; R382-T385 PolarHBondContact O-N 3.42Å; R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 PolarHBondContact O-N 3.27Å
383	L	74.7	Confident	68	Low	101 Å²	101	114 Å²	114	53%	0.529	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-42.8	176.9	-143.9	90.6	0	0	0	110.9	L379 F380 T381 L386 I387	L379-L383 WeakPolarHBondContact O-CB 3.14Å; L379-L383 PolarHBondContact O-N 3.49Å; F380-L383 PolarHBondContact O-N 2.98Å; T381-L383 VanDerWaalsContact C-N 3.34Å; T381-L383 PolarHBondContact O-N 3.47Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.42Å; L383-I387 HydrophobicContact CD2-CD1 4.48Å; L383-I387 VanDerWaalsContact O-CG1 3.27Å; L383-I387 WeakPolarHBondContact O-CG1 3.48Å; L383-I387 PolarHBondContact O-N 3.28Å
384	L	74.8	Confident	69	Low	84 Å²	84	116.6 Å²	116.6	44%	0.44	57%	0.565	S	S	.	*	H	α-helix	trans	-62	-43	174.9	-75.5	166	0	0	0	111.8	F380 T381 L386 I387 E388	F380-L384 HydrophobicContact CD1-CD1 3.76Å; F380-L384 HydrophobicContact CD1-CG 4.22Å; F380-L384 HydrophobicContact CE1-CD1 4.14Å; F380-L384 HydrophobicContact CE1-CG 4.45Å; F380-L384 WeakPolarHBondContact O-CB 3.42Å; F380-L384 WeakPolarHBondContact O-CG 3.16Å; F380-L384 PolarHBondContact O-N 2.94Å; T381-L384 PolarHBondContact O-N 2.84Å; L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 3.16Å; L384-I387 PolarHBondContact O-N 3.49Å; L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3.47Å
385	T	73.4	Confident	69.3	Low	66 Å²	66	120.3 Å²	120.3	41%	0.405	59%	0.593	S	S	.	*	H	α-helix	trans	-63.3	-39.2	176	-11.4	0	0	0	0	111.5	T381 R382 E388 I389	T381-T385 PolarHBondContact O-N 3.32Å; T381-T385 PolarHBondContact O-OG1 3.26Å; R382-T385 PolarHBondContact O-N 3.42Å; T385-E388 PolarHBondContact O-N 3.37Å; T385-I389 WeakPolarHBondContact O-CB 3.46Å; T385-I389 WeakPolarHBondContact O-CD1 2.97Å; T385-I389 WeakPolarHBondContact O-CG1 3.23Å; T385-I389 PolarHBondContact O-N 2.97Å
386	L	72.7	Confident	70	Confident	107 Å²	107	119.8 Å²	119.8	56%	0.56	59%	0.593	S	S	*	*	H	α-helix	trans	-63.8	-40.6	174.5	-93.4	152.5	0	0	0	112.2	R382 L383 L384 I389 V390	R382-L386 WeakPolarHBondContact O-CB 3.37Å; R382-L386 PolarHBondContact O-N 3.27Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.42Å; L384-L386 VanDerWaalsContact C-N 3.31Å; L384-L386 PolarHBondContact O-N 3.16Å; L386-I389 PolarHBondContact O-N 3.16Å; L386-V390 WeakPolarHBondContact O-CB 3.31Å; L386-V390 VanDerWaalsContact O-CG2 3.23Å; L386-V390 WeakPolarHBondContact O-CG2 3.34Å; L386-V390 PolarHBondContact O-N 3.2Å
387	I	76.8	Confident	70.6	Confident	79 Å²	79	123 Å²	123	41%	0.405	60%	0.599	S	S	.	*	H	α-helix	trans	-65.4	-45.6	176.9	-68.5	163.2	0	0	0	110.8	L383 L384 I389 V390 Q391	L383-I387 HydrophobicContact CD2-CD1 4.48Å; L383-I387 VanDerWaalsContact O-CG1 3.27Å; L383-I387 WeakPolarHBondContact O-CG1 3.48Å; L383-I387 PolarHBondContact O-N 3.28Å; L384-I387 PolarHBondContact O-N 3.49Å; I387-I389 VanDerWaalsContact C-N 3.34Å; I387-I389 PolarHBondContact O-N 2.54Å; I387-V390 PolarHBondContact O-N 2.92Å; I387-Q391 HydrophobicContact CG2-CG 4.44Å; I387-Q391 WeakPolarHBondContact O-CB 3.36Å; I387-Q391 WeakPolarHBondContact O-CG 3.47Å; I387-Q391 PolarHBondContact O-N 3.26Å
388	E	74.4	Confident	71.4	Confident	124 Å²	124	121.3 Å²	121.3	58%	0.579	60%	0.595	S	S	*	*	H	α-helix	trans	-61.8	-41.5	177.2	-74.1	176.4	175.4	0	0	111.9	L384 T385 Q391 F392	L384-E388 WeakPolarHBondContact O-CG 3.47Å; L384-E388 PolarHBondContact O-N 3.47Å; T385-E388 PolarHBondContact O-N 3.37Å; E388-Q391 PolarHBondContact O-N 3.33Å; E388-F392 WeakPolarHBondContact O-CB 3.46Å; E388-F392 PolarHBondContact O-N 3.41Å
389	I	74	Confident	71.9	Confident	85 Å²	85	118.1 Å²	118.1	44%	0.436	59%	0.591	S	S	.	*	H	α-helix	trans	-62.2	-47.3	174.9	-70.8	166.3	0	0	0	110.6	T385 L386 I387 Q391 F392 F393	T385-I389 WeakPolarHBondContact O-CB 3.46Å; T385-I389 WeakPolarHBondContact O-CD1 2.97Å; T385-I389 WeakPolarHBondContact O-CG1 3.23Å; T385-I389 PolarHBondContact O-N 2.97Å; L386-I389 PolarHBondContact O-N 3.16Å; I387-I389 VanDerWaalsContact C-N 3.34Å; I387-I389 PolarHBondContact O-N 2.54Å; I389-Q391 VanDerWaalsContact C-N 3.31Å; I389-Q391 PolarHBondContact O-N 2.76Å; I389-F392 PolarHBondContact O-N 2.91Å; I389-F393 HydrophobicContact CG2-CD2 3.77Å; I389-F393 HydrophobicContact CG2-CE2 3.69Å; I389-F393 WeakPolarHBondContact O-CD2 3.27Å; I389-F393 PolarHBondContact O-N 2.92Å; I389-F393 VanDerWaalsContact O-N 3.16Å
390	V	76.1	Confident	72.3	Confident	79 Å²	79	118.2 Å²	118.2	48%	0.479	59%	0.59	S	S	.	*	H	α-helix	trans	-65.3	-34.3	179.2	171.3	0	0	0	0	111.9	L386 I387 N394	L386-V390 WeakPolarHBondContact O-CB 3.31Å; L386-V390 VanDerWaalsContact O-CG2 3.23Å; L386-V390 WeakPolarHBondContact O-CG2 3.34Å; L386-V390 PolarHBondContact O-N 3.2Å; I387-V390 PolarHBondContact O-N 2.92Å; V390-N394 PolarHBondContact O-N 3.09Å; V390-N394 PolarHBondContact O-ND2 2.88Å; V390-N394 VanDerWaalsContact O-ND2 3.14Å
391	Q	74.9	Confident	72.4	Confident	123 Å²	123	116.6 Å²	116.6	58%	0.575	59%	0.588	S	S	*	*	H	α-helix	trans	-69.5	-39.7	174.9	-75.8	-179.5	-32	0	0	112	I387 E388 I389 F393 N394 T395	I387-Q391 HydrophobicContact CG2-CG 4.44Å; I387-Q391 WeakPolarHBondContact O-CB 3.36Å; I387-Q391 WeakPolarHBondContact O-CG 3.47Å; I387-Q391 PolarHBondContact O-N 3.26Å; E388-Q391 PolarHBondContact O-N 3.33Å; I389-Q391 VanDerWaalsContact C-N 3.31Å; I389-Q391 PolarHBondContact O-N 2.76Å; Q391-F393 VanDerWaalsContact C-N 3.3Å; Q391-F393 PolarHBondContact O-N 3.14Å; Q391-N394 PolarHBondContact O-N 3.16Å; Q391-T395 PolarHBondContact O-N 3.37Å
392	F	76.3	Confident	72.6	Confident	154 Å²	154	118.7 Å²	118.7	68%	0.675	59%	0.592	S	S	*	*	H	α-helix	trans	-64.5	-31.9	177	-170.6	-92.6	0	0	0	113.1	E388 I389 T395	E388-F392 WeakPolarHBondContact O-CB 3.46Å; E388-F392 PolarHBondContact O-N 3.41Å; I389-F392 PolarHBondContact O-N 2.91Å; F392-T395 PolarHBondContact O-OG1 3.48Å
393	F	70.6	Confident	72.8	Confident	159 Å²	159	112.8 Å²	112.8	70%	0.697	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-8.6	177.5	-76.1	-67.7	0	0	0	114.6	I389 Q391	I389-F393 HydrophobicContact CG2-CD2 3.77Å; I389-F393 HydrophobicContact CG2-CE2 3.69Å; I389-F393 WeakPolarHBondContact O-CD2 3.27Å; I389-F393 PolarHBondContact O-N 2.92Å; I389-F393 VanDerWaalsContact O-N 3.16Å; Q391-F393 VanDerWaalsContact C-N 3.3Å; Q391-F393 PolarHBondContact O-N 3.14Å
394	N	68	Low	72.7	Confident	135 Å²	135	113.8 Å²	113.8	72%	0.722	59%	0.585	S	S	*	*			trans	-104	1.1	178.8	-81.1	-35.2	0	0	0	113.8	V390 Q391	V390-N394 PolarHBondContact O-N 3.09Å; V390-N394 PolarHBondContact O-ND2 2.88Å; V390-N394 VanDerWaalsContact O-ND2 3.14Å; Q391-N394 PolarHBondContact O-N 3.16Å
395	T	60	Low	72.5	Confident	170 Å²	170	116.5 Å²	116.5	100%	1.043	60%	0.598	S	S	*	*			trans	-106.4	0	166.7	51.8	0	0	0	0	109.6	Q391 F392	Q391-T395 PolarHBondContact O-N 3.37Å; F392-T395 PolarHBondContact O-OG1 3.48Å

Retrieved 395 of 395 residues in 589.4 ms (Link to these results)

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