A0A077Z9S6_TRITR Loading...

DDB1- and CUL4-associated factor 13

AlphaFold DB , UniProt , Accession A0A077Z9S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 442 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	70.3	Confident	84.8	Confident	226 Å²	226	141.1 Å²	141.1	100%	1.113	73%	0.73	S	S	*	*				0	117.5	0	-165.9	-169.7	-117.2	0	0	108.3	V3	M1-V3 HydrophobicContact CB-CG2 4.45Å; M1-V3 HydrophobicContact CG-CG2 3.97Å; M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 HydrophobicContact SD-CG2 3.78Å
2	K	74.1	Confident	84.8	Confident	220 Å²	220	133.6 Å²	133.6	96%	0.957	70%	0.704	S	S	*	*			trans	-84.1	88.6	178	-70.8	-177.5	-179	177.8	0	109.1
3	V	82.7	Confident	84.8	Confident	111 Å²	111	130.5 Å²	130.5	67%	0.673	68%	0.678	S	S	*	*			trans	-83.4	115.7	177.2	-176.9	0	0	0	0	108.7	M1 V5	M1-V3 HydrophobicContact CB-CG2 4.45Å; M1-V3 HydrophobicContact CG-CG2 3.97Å; M1-V3 PolarHBondContact O-N 3.26Å; M1-V3 HydrophobicContact SD-CG2 3.78Å; V3-V5 HydrophobicContact CG1-CG2 4.1Å
4	K	87.4	Confident	84.8	Confident	203 Å²	203	128 Å²	128	88%	0.883	67%	0.665	S	S	*	*			trans	-120.3	118.2	171.9	-173.4	176.9	-179	178.4	0	108.7
5	V	90	Very high	85	Confident	119 Å²	119	125.4 Å²	125.4	72%	0.721	64%	0.643	S	S	*	*			trans	-105.4	152	178	-179.9	0	0	0	0	109.1	V3 S7	V3-V5 HydrophobicContact CG1-CG2 4.1Å; V5-S7 PolarHBondContact O-N 2.81Å
6	L	89.6	Confident	85	Confident	138 Å²	138	124.8 Å²	124.8	72%	0.723	64%	0.642	S	S	*	*			trans	-69.4	100	178.1	-164.6	120.5	0	0	0	110.2	R8	L6-R8 HydrophobicContact CD2-CG 3.88Å
7	S	89.8	Confident	85.3	Confident	115 Å²	115	121.8 Å²	121.8	80%	0.804	63%	0.631	S	S	*	*			trans	-91.6	127	173	57.6	0	0	0	0	110.4	V5	V5-S7 PolarHBondContact O-N 2.81Å
8	R	89.1	Confident	85.4	Confident	179 Å²	179	124.6 Å²	124.6	68%	0.675	64%	0.637	S	S	*	*			trans	-106.1	103	177.8	-75.5	-169.4	-174.2	168.5	3.1	109	L6 P10 Y13	L6-R8 HydrophobicContact CD2-CG 3.88Å; R8-P10 WeakPolarHBondContact O-CD 3.11Å; R8-Y13 HydrophobicContact CB-CE2 3.73Å; R8-Y13 HydrophobicContact CG-CE2 4Å
9	N	88.5	Confident	85.6	Confident	103 Å²	103	126.3 Å²	126.3	55%	0.551	65%	0.648	S	S	*	*			trans	-69.7	125.2	174.9	-169.4	-18.8	0	0	0	109.4	S11 A12 Y13	N9-S11 PolarHBondContact ND2-OG 3.48Å; N9-S11 PolarHBondContact O-N 2.71Å; N9-S11 VanDerWaalsContact O-N 3.13Å; N9-S11 PolarHBondContact OD1-N 2.99Å; N9-S11 PolarHBondContact OD1-OG 3.47Å; N9-S11 VanDerWaalsContact OD1-OG 3.08Å; N9-A12 WeakPolarHBondContact O-CB 3.44Å; N9-A12 PolarHBondContact O-N 2.72Å; N9-Y13 WeakPolarHBondContact O-CD2 3.42Å
10	P	87	Confident	85.8	Confident	78 Å²	78	123.6 Å²	123.6	51%	0.506	64%	0.635	S	S	.	*	G	3₁₀ helix	trans	-52.9	-32.3	177.9	-27.4	34.4	0	0	0	113.7	R8 A12 Y13 L14	R8-P10 WeakPolarHBondContact O-CD 3.11Å; P10-A12 PolarHBondContact O-N 2.68Å; P10-A12 VanDerWaalsContact O-N 3.16Å; P10-Y13 PolarHBondContact O-N 2.91Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; P10-L14 HydrophobicContact CB-CD1 3.72Å; P10-L14 HydrophobicContact CB-CG 4.49Å; P10-L14 VanDerWaalsContact O-CB 3.29Å; P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 PolarHBondContact O-N 2.8Å
11	S	85	Confident	85.9	Confident	60 Å²	60	125.2 Å²	125.2	42%	0.42	64%	0.643	S	S	.	*	G	3₁₀ helix	trans	-62.4	-20.9	177.9	64.1	0	0	0	0	114.4	N9 Y13 K23	N9-S11 PolarHBondContact ND2-OG 3.48Å; N9-S11 PolarHBondContact O-N 2.71Å; N9-S11 VanDerWaalsContact O-N 3.13Å; N9-S11 PolarHBondContact OD1-N 2.99Å; N9-S11 PolarHBondContact OD1-OG 3.47Å; N9-S11 VanDerWaalsContact OD1-OG 3.08Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; S11-K23 PolarHBondContact O-NZ 2.89Å
12	A	84.1	Confident	86.7	Confident	51 Å²	51	120 Å²	120	42%	0.421	62%	0.615	S	S	.	*	G	3₁₀ helix	trans	-76.6	-19.2	177.9	0	0	0	0	0	113.2	N9 P10	N9-A12 WeakPolarHBondContact O-CB 3.44Å; N9-A12 PolarHBondContact O-N 2.72Å; P10-A12 PolarHBondContact O-N 2.68Å; P10-A12 VanDerWaalsContact O-N 3.16Å
13	Y	85.6	Confident	87.4	Confident	93 Å²	93	113.8 Å²	113.8	37%	0.365	59%	0.587	S	S	.	*	T	Hydrogen-bonded Turn	trans	-126.4	-25.7	-174.5	-44.6	-72.7	0	0	0	113.1	R8 N9 P10 S11 P25	R8-Y13 HydrophobicContact CB-CE2 3.73Å; R8-Y13 HydrophobicContact CG-CE2 4Å; N9-Y13 WeakPolarHBondContact O-CD2 3.42Å; P10-Y13 PolarHBondContact O-N 2.91Å; P10-Y13 VanDerWaalsContact O-N 3.11Å; S11-Y13 VanDerWaalsContact C-N 3.32Å; Y13-P25 HydrophobicContact CD1-CG 3.74Å; Y13-P25 HydrophobicContact CE1-CB 4.35Å; Y13-P25 HydrophobicContact CE1-CG 3.88Å
14	L	84.7	Confident	87.8	Confident	96 Å²	96	113.7 Å²	113.7	50%	0.503	59%	0.587	S	S	.	*	S	Bend	trans	-80.9	151.2	172	-68	171.4	0	0	0	110.4	P10	P10-L14 HydrophobicContact CB-CD1 3.72Å; P10-L14 HydrophobicContact CB-CG 4.49Å; P10-L14 VanDerWaalsContact O-CB 3.29Å; P10-L14 WeakPolarHBondContact O-CB 3.33Å; P10-L14 PolarHBondContact O-N 2.8Å
15	R	87.1	Confident	87.9	Confident	89 Å²	89	108.3 Å²	108.3	34%	0.336	57%	0.572	S	S	.	*			trans	-70.8	147.6	168.6	62.6	-176	-176.4	166.6	6.1	110	T17 K18 D20 F22	R15-T17 WeakPolarHBondContact CD-O 2.79Å; R15-T17 VanDerWaalsContact CG-O 3.26Å; R15-T17 WeakPolarHBondContact CG-O 3.44Å; R15-K18 VanDerWaalsContact CZ-O 3.24Å; R15-K18 PolarHBondContact NH1-O 3.28Å; R15-D20 HydrophobicContact CB-CB 4.08Å; R15-D20 VanDerWaalsContact CD-O 3.28Å; R15-D20 WeakPolarHBondContact CD-O 3.35Å; R15-F22 HydrophobicContact CG-CE1 4.32Å
16	D	85.7	Confident	88.1	Confident	116 Å²	116	111.6 Å²	111.6	62%	0.62	57%	0.572	S	S	*	*	S	Bend	trans	-79.8	-39.2	-177.4	-58.3	-42.7	0	0	0	110.7	K23	D16-K23 IonicContact OD1-NZ 3.7Å; D16-K23 PolarHBondContact OD1-NZ 3.06Å; D16-K23 IonicContact OD2-NZ 3.51Å; D16-K23 PolarHBondContact OD2-NZ 3.03Å
17	T	88.8	Confident	88.3	Confident	74 Å²	74	109.6 Å²	109.6	45%	0.454	56%	0.562	S	S	.	*	S	Bend	trans	-120.4	166.4	171.1	75.5	0	0	0	0	113.1	R15 N19 D20	R15-T17 WeakPolarHBondContact CD-O 2.79Å; R15-T17 VanDerWaalsContact CG-O 3.26Å; R15-T17 WeakPolarHBondContact CG-O 3.44Å; T17-N19 PolarHBondContact O-N 2.84Å; T17-N19 PolarHBondContact OG1-N 2.85Å; T17-D20 WeakPolarHBondContact CB-OD2 3.49Å; T17-D20 PolarHBondContact N-OD2 2.78Å; T17-D20 PolarHBondContact O-N 3.49Å; T17-D20 PolarHBondContact OG1-OD2 2.74Å
18	K	88.5	Confident	88.6	Confident	172 Å²	172	112.4 Å²	112.4	75%	0.748	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-14.4	177.7	-71.2	-177	-177.8	175.9	0	114.2	R15	R15-K18 VanDerWaalsContact CZ-O 3.24Å; R15-K18 PolarHBondContact NH1-O 3.28Å
19	N	89.5	Confident	89	Confident	156 Å²	156	107 Å²	107	83%	0.834	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-14.3	179.8	-65.9	-12	0	0	0	112.3	T17	T17-N19 PolarHBondContact O-N 2.84Å; T17-N19 PolarHBondContact OG1-N 2.85Å
20	D	89.2	Confident	89.3	Confident	73 Å²	73	106.7 Å²	106.7	39%	0.39	54%	0.544	S	S	.	.	S	Bend	trans	-78.8	154.1	-178.2	-61.8	-37.4	0	0	0	112.6	R15 T17	R15-D20 HydrophobicContact CB-CB 4.08Å; R15-D20 VanDerWaalsContact CD-O 3.28Å; R15-D20 WeakPolarHBondContact CD-O 3.35Å; T17-D20 WeakPolarHBondContact CB-OD2 3.49Å; T17-D20 PolarHBondContact N-OD2 2.78Å; T17-D20 PolarHBondContact O-N 3.49Å; T17-D20 PolarHBondContact OG1-OD2 2.74Å
21	I	87.2	Confident	89.7	Confident	157 Å²	157	111.8 Å²	111.8	81%	0.805	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-76.9	143.1	176.7	-54.7	171.3	0	0	0	109.1	K23	I21-K23 PolarHBondContact O-N 3.22Å
22	F	87.1	Confident	90.2	Very high	118 Å²	118	113.9 Å²	113.9	52%	0.518	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60.1	135.7	173.7	-71.9	-81.4	0	0	0	112.2	R15 V24	R15-F22 HydrophobicContact CG-CE1 4.32Å; F22-V24 PolarHBondContact O-N 3.32Å
23	K	89.7	Confident	90.8	Very high	89 Å²	89	115.2 Å²	115.2	39%	0.387	56%	0.562	S	S	.	*			trans	-73.6	115.3	173.3	-65.8	171.1	-174.4	158.6	0	108.5	S11 D16 I21 P25	S11-K23 PolarHBondContact O-NZ 2.89Å; D16-K23 IonicContact OD1-NZ 3.7Å; D16-K23 PolarHBondContact OD1-NZ 3.06Å; D16-K23 IonicContact OD2-NZ 3.51Å; D16-K23 PolarHBondContact OD2-NZ 3.03Å; I21-K23 PolarHBondContact O-N 3.22Å; K23-P25 VanDerWaalsContact O-CD 3.3Å; K23-P25 WeakPolarHBondContact O-CD 3.46Å
24	V	89.6	Confident	91.2	Very high	109 Å²	109	114.9 Å²	114.9	66%	0.661	57%	0.571	S	S	*	*			trans	-106.1	98.9	-178.9	-177	0	0	0	0	110	F22	F22-V24 PolarHBondContact O-N 3.32Å
25	P	90.9	Very high	91.7	Very high	89 Å²	89	116.6 Å²	116.6	58%	0.578	58%	0.58	S	S	*	*			trans	-69	142.2	173.3	31.6	-37.4	0	0	0	110.3	Y13 K23	Y13-P25 HydrophobicContact CD1-CG 3.74Å; Y13-P25 HydrophobicContact CE1-CB 4.35Å; Y13-P25 HydrophobicContact CE1-CG 3.88Å; K23-P25 VanDerWaalsContact O-CD 3.3Å; K23-P25 WeakPolarHBondContact O-CD 3.46Å
26	R	93	Very high	92.1	Very high	188 Å²	188	117.9 Å²	117.9	71%	0.709	59%	0.59	S	S	*	*			trans	-123.9	133.3	177.2	-68.3	-176.7	170.6	179.9	-1	110.1	Y28	R26-Y28 HydrophobicContact CB-CE1 4.39Å; R26-Y28 HydrophobicContact CB-CE2 4.46Å
27	N	95.1	Very high	92.6	Very high	97 Å²	97	116.2 Å²	116.2	52%	0.519	59%	0.587	S	S	.	*			trans	-118.1	127.6	167.6	-175.5	-10.6	0	0	0	107.7	D29 L32 H33	N27-D29 PolarHBondContact OD1-N 2.94Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; N27-L32 HydrophobicContact CB-CD1 3.75Å; N27-L32 VanDerWaalsContact ND2-CD1 3.25Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.47Å; N27-H33 PolarHBondContact O-NE2 3.21Å
28	Y	95.8	Very high	93	Very high	174 Å²	174	115.2 Å²	115.2	68%	0.682	59%	0.586	S	S	*	*			trans	-95.6	8.7	-174.8	-60.3	-69.5	0	0	0	113.8	R26 P30	R26-Y28 HydrophobicContact CB-CE1 4.39Å; R26-Y28 HydrophobicContact CB-CE2 4.46Å; Y28-P30 WeakPolarHBondContact O-CD 3.4Å
29	D	96.4	Very high	93.4	Very high	65 Å²	65	111.3 Å²	111.3	35%	0.348	57%	0.567	S	S	.	*			trans	-55.8	120.7	175.5	-175.4	-7.6	0	0	0	111.1	N27 K31 L32 H33	N27-D29 PolarHBondContact OD1-N 2.94Å; N27-D29 VanDerWaalsContact OD1-N 3.09Å; D29-K31 PolarHBondContact O-N 2.7Å; D29-K31 VanDerWaalsContact O-N 3.08Å; D29-K31 WeakPolarHBondContact OD1-CB 3.41Å; D29-K31 PolarHBondContact OD1-N 2.85Å; D29-L32 HydrophobicContact CB-CD1 4.25Å; D29-L32 HydrophobicContact CB-CG 4.28Å; D29-L32 PolarHBondContact O-N 3.43Å; D29-H33 PolarHBondContact O-CD2 2.81Å
30	P	95.7	Very high	93.8	Very high	97 Å²	97	105 Å²	105	63%	0.63	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-53.1	-29.2	177.5	-27.5	35.4	0	0	0	113.9	Y28 L32 H33	Y28-P30 WeakPolarHBondContact O-CD 3.4Å; P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 PolarHBondContact O-N 3.22Å; P30-H33 CarbonylContact O-C 3.6Å; P30-H33 PolarHBondContact O-N 2.63Å
31	K	95.5	Very high	94.2	Very high	185 Å²	185	103.9 Å²	103.9	80%	0.804	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33.1	177.6	-66.3	179.9	180	178.3	0	112.7	D29 H33	D29-K31 PolarHBondContact O-N 2.7Å; D29-K31 VanDerWaalsContact O-N 3.08Å; D29-K31 WeakPolarHBondContact OD1-CB 3.41Å; D29-K31 PolarHBondContact OD1-N 2.85Å; K31-H33 VanDerWaalsContact C-N 3.25Å; K31-H33 PolarHBondContact O-N 2.69Å
32	L	95.6	Very high	94.7	Very high	103 Å²	103	99.7 Å²	99.7	54%	0.539	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-79.1	-11.7	176.4	-62.4	177	0	0	0	112.6	N27 D29 P30 P34	N27-L32 HydrophobicContact CB-CD1 3.75Å; N27-L32 VanDerWaalsContact ND2-CD1 3.25Å; N27-L32 WeakPolarHBondContact ND2-CD1 3.47Å; D29-L32 HydrophobicContact CB-CD1 4.25Å; D29-L32 HydrophobicContact CB-CG 4.28Å; D29-L32 PolarHBondContact O-N 3.43Å; P30-L32 VanDerWaalsContact C-N 3.28Å; P30-L32 PolarHBondContact O-N 3.22Å; L32-P34 WeakPolarHBondContact O-CD 3.32Å
33	H	95.3	Very high	95.3	Very high	79 Å²	79	99.8 Å²	99.8	37%	0.366	50%	0.502	S	S	.	.	S	Bend	trans	-124.3	60	-172.9	-68.5	-63.8	0	0	0	111.8	N27 D29 P30 K31 R39	N27-H33 PolarHBondContact O-NE2 3.21Å; D29-H33 PolarHBondContact O-CD2 2.81Å; P30-H33 CarbonylContact O-C 3.6Å; P30-H33 PolarHBondContact O-N 2.63Å; K31-H33 VanDerWaalsContact C-N 3.25Å; K31-H33 PolarHBondContact O-N 2.69Å; H33-R39 VanDerWaalsContact C-NH2 3.27Å; H33-R39 PolarHBondContact O-NH2 2.81Å
34	P	95.3	Very high	95.7	Very high	86 Å²	86	95.6 Å²	95.6	56%	0.558	48%	0.483	S	S	*	.			trans	-61.6	163.5	-177.9	27.9	-35.7	0	0	0	112.5	L32 Q36 R39	L32-P34 WeakPolarHBondContact O-CD 3.32Å; P34-Q36 VanDerWaalsContact C-N 3.35Å; P34-Q36 PolarHBondContact O-N 3.01Å; P34-R39 VanDerWaalsContact O-CZ 3.29Å; P34-R39 PolarHBondContact O-NE 2.85Å; P34-R39 PolarHBondContact O-NH2 2.66Å; P34-R39 VanDerWaalsContact O-NH2 3.08Å
35	L	95.1	Very high	96.1	Very high	132 Å²	132	91.3 Å²	91.3	69%	0.691	46%	0.457	S	S	*	.			trans	57.5	39.3	174.4	-57.8	174.9	0	0	0	114.3	S37 A38 R39	L35-S37 PolarHBondContact O-N 2.83Å; L35-A38 HydrophobicContact CB-CB 4.31Å; L35-A38 PolarHBondContact O-N 3.49Å; L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.86Å
36	Q	94.8	Very high	96.4	Very high	116 Å²	116	91.2 Å²	91.2	54%	0.542	45%	0.451	S	S	.	.	H	α-helix	trans	-51.8	-53.2	-179.6	-177.3	179.8	-5.8	0	0	111.9	P34 A38 R39 E40	P34-Q36 VanDerWaalsContact C-N 3.35Å; P34-Q36 PolarHBondContact O-N 3.01Å; Q36-A38 PolarHBondContact O-N 2.56Å; Q36-R39 PolarHBondContact O-N 2.86Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.17Å; Q36-E40 PolarHBondContact NE2-OE1 3.03Å; Q36-E40 WeakPolarHBondContact O-CB 3.41Å; Q36-E40 WeakPolarHBondContact O-CG 3.17Å; Q36-E40 PolarHBondContact O-N 2.92Å
37	S	95.8	Very high	96.7	Very high	82 Å²	82	82.9 Å²	82.9	57%	0.573	42%	0.423	S	S	*	.	H	α-helix	trans	-63.2	-39.3	-177.8	-56	0	0	0	0	113.3	L35 E40 Y41 Y378	L35-S37 PolarHBondContact O-N 2.83Å; S37-E40 PolarHBondContact O-N 2.83Å; S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 2.83Å; S37-Y378 PolarHBondContact O-OH 3.28Å
38	A	97.4	Very high	96.8	Very high	52 Å²	52	78.3 Å²	78.3	43%	0.43	40%	0.399	S	S	.	.	H	α-helix	trans	-71.7	-37.2	178.7	0	0	0	0	0	111.9	L35 Q36 Y41 T42	L35-A38 HydrophobicContact CB-CB 4.31Å; L35-A38 PolarHBondContact O-N 3.49Å; Q36-A38 PolarHBondContact O-N 2.56Å; A38-Y41 PolarHBondContact O-N 3.06Å; A38-T42 WeakPolarHBondContact O-CG2 3.06Å; A38-T42 PolarHBondContact O-N 3.09Å; A38-T42 PolarHBondContact O-OG1 3.46Å
39	R	97.4	Very high	96.9	Very high	90 Å²	90	74.8 Å²	74.8	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-65.6	-39.6	172.5	-73.1	-171.9	-66.4	154	3.3	111.7	H33 P34 L35 Q36 T42 R43	H33-R39 VanDerWaalsContact C-NH2 3.27Å; H33-R39 PolarHBondContact O-NH2 2.81Å; P34-R39 VanDerWaalsContact O-CZ 3.29Å; P34-R39 PolarHBondContact O-NE 2.85Å; P34-R39 PolarHBondContact O-NH2 2.66Å; P34-R39 VanDerWaalsContact O-NH2 3.08Å; L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.86Å; Q36-R39 PolarHBondContact O-N 2.86Å; R39-T42 WeakPolarHBondContact CA-OG1 3.38Å; R39-T42 PolarHBondContact O-OG1 3.04Å; R39-R43 WeakPolarHBondContact O-CB 3.44Å; R39-R43 WeakPolarHBondContact O-CD 3.41Å; R39-R43 WeakPolarHBondContact O-CG 3.44Å; R39-R43 PolarHBondContact O-N 2.84Å; R39-R43 VanDerWaalsContact O-N 3.09Å
40	E	97.5	Very high	96.9	Very high	25 Å²	25	76.4 Å²	76.4	12%	0.117	40%	0.395	C	S	.	.	H	α-helix	trans	-66.5	-43.6	174.4	-75.8	-177.8	-165.2	0	0	111.9	Q36 S37 R43 A44 L374 K377 Y378	Q36-E40 WeakPolarHBondContact CG-OE1 3.17Å; Q36-E40 PolarHBondContact NE2-OE1 3.03Å; Q36-E40 WeakPolarHBondContact O-CB 3.41Å; Q36-E40 WeakPolarHBondContact O-CG 3.17Å; Q36-E40 PolarHBondContact O-N 2.92Å; S37-E40 PolarHBondContact O-N 2.83Å; E40-R43 PolarHBondContact O-N 2.58Å; E40-A44 WeakPolarHBondContact O-CB 3.5Å; E40-A44 PolarHBondContact O-N 2.98Å; E40-L374 HydrophobicContact CB-CD2 3.84Å; E40-L374 HydrophobicContact CG-CD2 3.98Å; E40-K377 IonicContact OE2-NZ 3.71Å; E40-K377 PolarHBondContact OE2-NZ 3.37Å; E40-Y378 HydrophobicContact CB-CE2 3.74Å; E40-Y378 WeakPolarHBondContact CB-OH 3.28Å; E40-Y378 PolarHBondContact OE2-OH 3.26Å
41	Y	98.3	Very high	97	Very high	49 Å²	49	73.3 Å²	73.3	19%	0.192	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-49.7	175.7	175.2	-99.9	0	0	0	112.1	S37 A38 R43 A44 L45 Y378 F381 E383 I384	S37-Y41 WeakPolarHBondContact O-CB 3.49Å; S37-Y41 PolarHBondContact O-N 2.83Å; A38-Y41 PolarHBondContact O-N 3.06Å; Y41-R43 VanDerWaalsContact C-N 3.31Å; Y41-R43 PolarHBondContact O-N 2.86Å; Y41-A44 WeakPolarHBondContact O-CB 3.3Å; Y41-A44 PolarHBondContact O-N 2.83Å; Y41-A44 VanDerWaalsContact O-N 3.14Å; Y41-L45 HydrophobicContact CE1-CD2 4.38Å; Y41-L45 WeakPolarHBondContact O-CB 3.43Å; Y41-L45 PolarHBondContact O-N 2.9Å; Y41-Y378 AromaticContact CD2-CD1 3.92Å; Y41-Y378 HydrophobicContact CD2-CD1 3.92Å; Y41-Y378 HydrophobicContact CD2-CE1 4.43Å; Y41-F381 HydrophobicContact CD2-CD1 4.33Å; Y41-F381 HydrophobicContact CD2-CG 4.31Å; Y41-F381 HydrophobicContact CE2-CB 3.89Å; Y41-F381 AromaticContact CE2-CD1 3.95Å; Y41-F381 HydrophobicContact CE2-CD1 3.95Å; Y41-F381 AromaticContact CE2-CG 3.92Å; Y41-F381 HydrophobicContact CE2-CG 3.92Å; Y41-E383 PolarHBondContact OH-OE2 3.42Å; Y41-I384 HydrophobicContact CD2-CD1 3.78Å; Y41-I384 HydrophobicContact CE2-CD1 3.5Å; Y41-I384 VanDerWaalsContact CE2-CD1 3.5Å; Y41-I384 HydrophobicContact CE2-CG1 4.05Å
42	T	98.1	Very high	97	Very high	68 Å²	68	67 Å²	67	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-37.9	178.6	48.5	0	0	0	0	112	A38 R39 L45 N46	A38-T42 WeakPolarHBondContact O-CG2 3.06Å; A38-T42 PolarHBondContact O-N 3.09Å; A38-T42 PolarHBondContact O-OG1 3.46Å; R39-T42 WeakPolarHBondContact CA-OG1 3.38Å; R39-T42 PolarHBondContact O-OG1 3.04Å; T42-L45 PolarHBondContact O-N 2.83Å; T42-N46 WeakPolarHBondContact O-CB 3.49Å; T42-N46 PolarHBondContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 2.79Å
43	R	98.2	Very high	97	Very high	121 Å²	121	66.7 Å²	66.7	46%	0.457	35%	0.345	S	S	.	.	H	α-helix	trans	-64	-42.6	172	-72.9	168.5	-179.7	-177.6	2.7	112.3	R39 E40 Y41 N46 A47 Y370 L374	R39-R43 WeakPolarHBondContact O-CB 3.44Å; R39-R43 WeakPolarHBondContact O-CD 3.41Å; R39-R43 WeakPolarHBondContact O-CG 3.44Å; R39-R43 PolarHBondContact O-N 2.84Å; R39-R43 VanDerWaalsContact O-N 3.09Å; E40-R43 PolarHBondContact O-N 2.58Å; Y41-R43 VanDerWaalsContact C-N 3.31Å; Y41-R43 PolarHBondContact O-N 2.86Å; R43-N46 PolarHBondContact O-N 3.08Å; R43-A47 VanDerWaalsContact O-CB 3.31Å; R43-A47 WeakPolarHBondContact O-CB 3.16Å; R43-A47 PolarHBondContact O-N 2.77Å; R43-Y370 PolarHBondContact NH1-OH 3.39Å; R43-L374 HydrophobicContact CB-CD1 3.61Å
44	A	98.4	Very high	97.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-44.7	175.7	0	0	0	0	0	111.4	E40 Y41 N46 A47 V48 L374 Y378 I384	E40-A44 WeakPolarHBondContact O-CB 3.5Å; E40-A44 PolarHBondContact O-N 2.98Å; Y41-A44 WeakPolarHBondContact O-CB 3.3Å; Y41-A44 PolarHBondContact O-N 2.83Å; Y41-A44 VanDerWaalsContact O-N 3.14Å; A44-N46 PolarHBondContact O-N 2.87Å; A44-A47 WeakPolarHBondContact O-CB 3.47Å; A44-A47 PolarHBondContact O-N 3.11Å; A44-V48 WeakPolarHBondContact O-CG2 3.4Å; A44-V48 PolarHBondContact O-N 3.45Å; A44-L374 HydrophobicContact CB-CB 4.01Å; A44-Y378 HydrophobicContact CB-CD2 3.92Å; A44-Y378 HydrophobicContact CB-CG 4.16Å; A44-I384 HydrophobicContact CB-CD1 3.93Å
45	L	98.4	Very high	97.1	Very high	20 Å²	20	65.8 Å²	65.8	11%	0.105	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-45.5	176.5	-177.8	64.1	0	0	0	111.6	Y41 T42 A47 V48 K49 E383 I384 I387	Y41-L45 HydrophobicContact CE1-CD2 4.38Å; Y41-L45 WeakPolarHBondContact O-CB 3.43Å; Y41-L45 PolarHBondContact O-N 2.9Å; T42-L45 PolarHBondContact O-N 2.83Å; L45-A47 VanDerWaalsContact C-N 3.35Å; L45-V48 PolarHBondContact O-N 3.28Å; L45-K49 HydrophobicContact CG-CD 4.45Å; L45-K49 WeakPolarHBondContact O-CG 3.34Å; L45-K49 PolarHBondContact O-N 3.11Å; L45-E383 HydrophobicContact CD1-CB 4.4Å; L45-I384 HydrophobicContact CB-CG1 4.33Å; L45-I384 HydrophobicContact CD1-CG1 4Å; L45-I387 HydrophobicContact CD1-CD1 3.69Å
46	N	98.2	Very high	97.1	Very high	86 Å²	86	66.4 Å²	66.4	46%	0.46	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-41	175.2	-71.7	-14.5	0	0	0	111.3	T42 R43 A44 V48 K49 L50	T42-N46 WeakPolarHBondContact O-CB 3.49Å; T42-N46 PolarHBondContact O-N 3.11Å; T42-N46 PolarHBondContact O-ND2 2.79Å; R43-N46 PolarHBondContact O-N 3.08Å; A44-N46 PolarHBondContact O-N 2.87Å; N46-V48 PolarHBondContact O-N 3.13Å; N46-K49 PolarHBondContact O-N 3.26Å; N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.27Å; N46-L50 WeakPolarHBondContact O-CG 3.47Å; N46-L50 PolarHBondContact O-N 3.41Å
47	A	97.9	Very high	97.2	Very high	13 Å²	13	62.2 Å²	62.2	11%	0.107	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-45	176.6	0	0	0	0	0	112.2	R43 A44 L45 L50 E51 A371 K375	R43-A47 VanDerWaalsContact O-CB 3.31Å; R43-A47 WeakPolarHBondContact O-CB 3.16Å; R43-A47 PolarHBondContact O-N 2.77Å; A44-A47 WeakPolarHBondContact O-CB 3.47Å; A44-A47 PolarHBondContact O-N 3.11Å; L45-A47 VanDerWaalsContact C-N 3.35Å; A47-L50 PolarHBondContact O-N 2.8Å; A47-E51 WeakPolarHBondContact O-CB 3.31Å; A47-E51 PolarHBondContact O-N 3.22Å; A47-A371 HydrophobicContact CB-CB 3.83Å; A47-K375 HydrophobicContact CB-CD 4.13Å; A47-K375 HydrophobicContact CB-CG 3.95Å
48	V	97.9	Very high	97.3	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-43.5	175.7	177.4	0	0	0	0	111.1	A44 L45 N46 E51 R52 K375 I384 I387 A388	A44-V48 WeakPolarHBondContact O-CG2 3.4Å; A44-V48 PolarHBondContact O-N 3.45Å; L45-V48 PolarHBondContact O-N 3.28Å; N46-V48 PolarHBondContact O-N 3.13Å; V48-E51 WeakPolarHBondContact O-CB 3.48Å; V48-E51 PolarHBondContact O-N 2.94Å; V48-R52 WeakPolarHBondContact O-CG 3.29Å; V48-R52 PolarHBondContact O-N 3.4Å; V48-K375 HydrophobicContact CG2-CB 4.41Å; V48-K375 HydrophobicContact CG2-CD 3.78Å; V48-K375 HydrophobicContact CG2-CG 3.63Å; V48-I384 HydrophobicContact CG2-CG2 3.7Å; V48-I387 HydrophobicContact CG1-CB 3.9Å; V48-I387 HydrophobicContact CG1-CG2 3.66Å; V48-A388 HydrophobicContact CG1-CB 3.88Å
49	K	97.9	Very high	97.2	Very high	99 Å²	99	62.5 Å²	62.5	43%	0.43	30%	0.3	S	S	.	.	H	α-helix	trans	-60.3	-47.9	177.3	-73.2	174.9	179.9	179.1	0	111.5	L45 N46 E51 R52 V53 I387	L45-K49 HydrophobicContact CG-CD 4.45Å; L45-K49 WeakPolarHBondContact O-CG 3.34Å; L45-K49 PolarHBondContact O-N 3.11Å; N46-K49 PolarHBondContact O-N 3.26Å; K49-E51 VanDerWaalsContact C-N 3.33Å; K49-E51 PolarHBondContact O-N 2.93Å; K49-R52 PolarHBondContact O-N 2.75Å; K49-R52 VanDerWaalsContact O-N 3.16Å; K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 3.07Å; K49-I387 HydrophobicContact CG-CD1 4.17Å; K49-I387 HydrophobicContact CG-CG2 4.49Å
50	L	97	Very high	97	Very high	99 Å²	99	59 Å²	59	52%	0.518	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-41.8	177.2	-70	175.4	0	0	0	111.5	N46 A47 R52 V53 F54	N46-L50 WeakPolarHBondContact O-CB 3.49Å; N46-L50 VanDerWaalsContact O-CG 3.27Å; N46-L50 WeakPolarHBondContact O-CG 3.47Å; N46-L50 PolarHBondContact O-N 3.41Å; A47-L50 PolarHBondContact O-N 2.8Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.8Å; L50-V53 PolarHBondContact O-N 3.45Å; L50-F54 HydrophobicContact CB-CD2 4.26Å; L50-F54 HydrophobicContact CB-CE2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 4.01Å; L50-F54 WeakPolarHBondContact O-CB 3.25Å; L50-F54 WeakPolarHBondContact O-CD2 3.49Å; L50-F54 PolarHBondContact O-N 3.17Å
51	E	96.1	Very high	96.9	Very high	33 Å²	33	59.7 Å²	59.7	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-42.8	175.1	-165.6	-167.1	139.5	0	0	111.6	A47 V48 K49 A55 W354 K375	A47-E51 WeakPolarHBondContact O-CB 3.31Å; A47-E51 PolarHBondContact O-N 3.22Å; V48-E51 WeakPolarHBondContact O-CB 3.48Å; V48-E51 PolarHBondContact O-N 2.94Å; K49-E51 VanDerWaalsContact C-N 3.33Å; K49-E51 PolarHBondContact O-N 2.93Å; E51-A55 VanDerWaalsContact O-CB 3.31Å; E51-A55 WeakPolarHBondContact O-CB 3.34Å; E51-A55 PolarHBondContact O-N 3.28Å; E51-W354 HydrophobicContact CG-CB 3.67Å; E51-W354 HydrophobicContact CG-CD2 4.02Å; E51-W354 HydrophobicContact CG-CG 3.37Å; E51-K375 VanDerWaalsContact OE2-CD 3.3Å; E51-K375 WeakPolarHBondContact OE2-CD 3.44Å; E51-K375 WeakPolarHBondContact OE2-CE 3.41Å; E51-K375 IonicContact OE2-NZ 2.98Å; E51-K375 PolarHBondContact OE2-NZ 3.01Å
52	R	96	Very high	96.7	Very high	51 Å²	51	57.5 Å²	57.5	19%	0.192	29%	0.288	C	S	.	.	H	α-helix	trans	-69.1	-37.5	177.7	-65.3	-56.5	93.5	-147.2	12.2	112.6	V48 K49 L50 E315 I387 R391	V48-R52 WeakPolarHBondContact O-CG 3.29Å; V48-R52 PolarHBondContact O-N 3.4Å; K49-R52 PolarHBondContact O-N 2.75Å; K49-R52 VanDerWaalsContact O-N 3.16Å; L50-R52 VanDerWaalsContact C-N 3.27Å; L50-R52 PolarHBondContact O-N 2.8Å; R52-E315 IonicContact NH2-OE1 3.47Å; R52-I387 HydrophobicContact CG-CG2 3.91Å; R52-R391 VanDerWaalsContact CZ-NH1 3.33Å; R52-R391 VanDerWaalsContact CZ-NH2 3.32Å; R52-R391 VanDerWaalsContact NH1-NH1 3.18Å; R52-R391 VanDerWaalsContact NH2-NH2 3.18Å
53	V	96.2	Very high	96.3	Very high	97 Å²	97	59.1 Å²	59.1	59%	0.588	29%	0.294	S	S	*	.	H	α-helix	trans	-66.9	-39.8	176.2	172	0	0	0	0	111.5	K49 L50	K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 3.07Å; L50-V53 PolarHBondContact O-N 3.45Å
54	F	96.2	Very high	95.8	Very high	121 Å²	121	55.1 Å²	55.1	53%	0.531	29%	0.291	S	S	.	.	H	α-helix	trans	-89.1	-1.5	-179.1	-67.3	-60.8	0	0	0	114.2	L50 K56 W354	L50-F54 HydrophobicContact CB-CD2 4.26Å; L50-F54 HydrophobicContact CB-CE2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 4.01Å; L50-F54 WeakPolarHBondContact O-CB 3.25Å; L50-F54 WeakPolarHBondContact O-CD2 3.49Å; L50-F54 PolarHBondContact O-N 3.17Å; F54-K56 VanDerWaalsContact C-N 3.28Å; F54-K56 PolarHBondContact O-N 3.04Å; F54-W354 WeakPolarHBondContact O-CA 3.33Å
55	A	96.3	Very high	95.6	Very high	26 Å²	26	55.6 Å²	55.6	22%	0.215	29%	0.293	C	S	.	.			trans	-68.1	83.6	176.5	0	0	0	0	0	111.2	E51 P57 A353	E51-A55 VanDerWaalsContact O-CB 3.31Å; E51-A55 WeakPolarHBondContact O-CB 3.34Å; E51-A55 PolarHBondContact O-N 3.28Å; A55-P57 WeakPolarHBondContact O-CD 3.2Å; A55-A353 HydrophobicContact CB-CB 3.93Å
56	K	95.9	Very high	95.4	Very high	145 Å²	145	57.9 Å²	57.9	63%	0.63	31%	0.311	S	S	*	.			trans	-120.5	83.2	178.8	-63.9	-178.2	-177.6	-177.4	0	108.3	F54 A353	F54-K56 VanDerWaalsContact C-N 3.28Å; F54-K56 PolarHBondContact O-N 3.04Å; K56-A353 CarbonylContact C-O 3.33Å; K56-A353 PolarHBondContact N-O 3.48Å; K56-A353 VanDerWaalsContact N-O 3.12Å
57	P	97.2	Very high	95.2	Very high	27 Å²	27	55.9 Å²	55.9	18%	0.175	30%	0.3	C	S	.	.			trans	-79.2	-34	-170	29.5	-34.5	0	0	0	113.7	A55 L59 Y317 W349 K350 A353	A55-P57 WeakPolarHBondContact O-CD 3.2Å; P57-L59 PolarHBondContact O-N 3.32Å; P57-Y317 HydrophobicContact CB-CD1 3.75Å; P57-Y317 HydrophobicContact CB-CD2 4.34Å; P57-Y317 HydrophobicContact CB-CE1 3.27Å; P57-Y317 HydrophobicContact CB-CE2 3.88Å; P57-Y317 HydrophobicContact CB-CG 4.28Å; P57-Y317 HydrophobicContact CG-CD1 3.61Å; P57-Y317 HydrophobicContact CG-CE1 3.52Å; P57-Y317 HydrophobicContact CG-CG 4.33Å; P57-W349 HydrophobicContact CB-CE3 4.23Å; P57-W349 HydrophobicContact CG-CE3 4.33Å; P57-W349 HydrophobicContact CG-CZ3 4.46Å; P57-W349 CarbonylContact O-C 3.52Å; P57-W349 VanDerWaalsContact O-CA 3.32Å; P57-W349 WeakPolarHBondContact O-CA 3.36Å; P57-K350 PolarHBondContact O-N 3.21Å; P57-A353 HydrophobicContact CB-CB 3.8Å; P57-A353 HydrophobicContact CG-CB 4.27Å
58	F	96.9	Very high	95.1	Very high	94 Å²	94	55.3 Å²	55.3	41%	0.412	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	127.7	-177.6	-177.9	-108	0	0	0	110.9	C60 R347 W349	F58-C60 WeakPolarHBondContact CE2-O 3.44Å; F58-R347 HydrophobicContact CE2-CB 4.1Å; F58-R347 HydrophobicContact CE2-CG 4Å; F58-W349 HydrophobicContact CB-CE3 3.88Å; F58-W349 HydrophobicContact CB-CZ3 3.72Å; F58-W349 HydrophobicContact CD2-CD2 4.33Å; F58-W349 HydrophobicContact CD2-CE3 4.11Å; F58-W349 HydrophobicContact CD2-CH2 4.07Å; F58-W349 HydrophobicContact CD2-CZ2 4.23Å; F58-W349 AromaticContact CD2-CZ3 3.98Å; F58-W349 HydrophobicContact CD2-CZ3 3.98Å; F58-W349 HydrophobicContact CG-CZ3 4.31Å
59	L	94.3	Very high	95	Very high	47 Å²	47	55.2 Å²	55.2	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-53.5	180	-168.8	66.7	0	0	0	112.2	P57 Y336 L348 L357	P57-L59 PolarHBondContact O-N 3.32Å; L59-Y336 HydrophobicContact CD2-CD1 4.27Å; L59-Y336 HydrophobicContact CD2-CE1 3.87Å; L59-L348 WeakPolarHBondContact CB-O 3.44Å; L59-L348 HydrophobicContact CD2-CD2 3.74Å; L59-L348 HydrophobicContact CD2-CG 4.28Å; L59-L348 PolarHBondContact N-O 3.48Å; L59-L357 HydrophobicContact CD1-CD1 3.8Å
60	C	94.8	Very high	94.8	Very high	17 Å²	17	52.4 Å²	52.4	12%	0.115	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.8	164.7	178.5	54.9	0	0	0	0	111.8	F58 K99 L348	F58-C60 WeakPolarHBondContact CE2-O 3.44Å; C60-K99 HydrophobicContact CB-CD 4.14Å; C60-K99 VanDerWaalsContact SG-CD 3.57Å; C60-L348 PolarHBondContact N-O 2.76Å; C60-L348 PolarHBondContact O-N 3.35Å
61	S	94.6	Very high	94.8	Very high	39 Å²	39	47.9 Å²	47.9	27%	0.273	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	141.2	164.5	-158.1	0	0	0	0	108.3	D63 I346	S61-D63 WeakPolarHBondContact CB-OD1 3.21Å; S61-D63 PolarHBondContact OG-OD1 3.44Å; S61-I346 CarbonylContact C-O 3.57Å; S61-I346 WeakPolarHBondContact CA-O 3.29Å
62	L	94.2	Very high	94.8	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	99.4	170.8	-63.4	176.3	0	0	0	105.3	W94 L96 K99 L338 I346	L62-W94 HydrophobicContact CB-CD2 4.34Å; L62-W94 HydrophobicContact CB-CE3 3.85Å; L62-W94 HydrophobicContact CB-CH2 4.04Å; L62-W94 HydrophobicContact CB-CZ3 3.68Å; L62-W94 HydrophobicContact CD1-CB 4.43Å; L62-W94 HydrophobicContact CD1-CD2 4.15Å; L62-W94 HydrophobicContact CD1-CE3 4.07Å; L62-W94 HydrophobicContact CD1-CG 4.3Å; L62-W94 HydrophobicContact CD2-CE3 4.08Å; L62-W94 HydrophobicContact CD2-CZ3 4.34Å; L62-W94 HydrophobicContact CG-CE3 4.22Å; L62-W94 HydrophobicContact CG-CZ3 4.45Å; L62-L96 HydrophobicContact CD1-CD2 3.97Å; L62-K99 HydrophobicContact CD2-CB 3.9Å; L62-K99 WeakPolarHBondContact CD2-O 3.33Å; L62-L338 HydrophobicContact CD1-CD2 4.47Å; L62-I346 HydrophobicContact CB-CB 4.07Å; L62-I346 HydrophobicContact CB-CG2 4.42Å; L62-I346 HydrophobicContact CD1-CG2 4.14Å; L62-I346 PolarHBondContact N-O 3.48Å; L62-I346 PolarHBondContact O-N 3.34Å
63	D	90.6	Very high	94.8	Very high	101 Å²	101	45.2 Å²	45.2	54%	0.54	25%	0.25	S	S	.	.			trans	-95.9	146.6	-172	-62.5	-9.3	0	0	0	110	S61 W94 N345	S61-D63 WeakPolarHBondContact CB-OD1 3.21Å; S61-D63 PolarHBondContact OG-OD1 3.44Å; D63-W94 WeakPolarHBondContact O-CH2 3.38Å; D63-N345 PolarHBondContact OD1-OD1 2.95Å; D63-N345 VanDerWaalsContact OD1-OD1 3.08Å
64	G	87.1	Confident	94.7	Very high	38 Å²	38	43.1 Å²	43.1	39%	0.392	23%	0.233	S	C	.	.			trans	151.3	-17.2	154.4	0	0	0	0	0	115.5	R92	G64-R92 VanDerWaalsContact C-NH2 3.34Å; G64-R92 PolarHBondContact O-NH1 2.96Å; G64-R92 PolarHBondContact O-NH2 3.15Å
65	H	94.2	Very high	94.7	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.042	21%	0.209	C	C	.	.			trans	-56.8	144.4	171.7	-79.4	-69.7	0	0	0	109.6	V69 S84 S86 R92 F344	H65-V69 HydrophobicContact CB-CG2 4.46Å; H65-S84 PolarHBondContact NE2-OG 3.1Å; H65-S86 WeakPolarHBondContact ND1-CB 3.4Å; H65-R92 VanDerWaalsContact CE1-CG 3.42Å; H65-R92 WeakPolarHBondContact CE1-CG 3.47Å; H65-F344 HydrophobicContact CB-CB 4.2Å; H65-F344 VanDerWaalsContact O-CB 3.27Å; H65-F344 WeakPolarHBondContact O-CB 3.45Å
66	S	93.7	Very high	94.5	Very high	69 Å²	69	36.8 Å²	36.8	48%	0.483	20%	0.202	S	C	.	.	S	Bend	trans	-84	-27.7	176.8	39.7	0	0	0	0	113.2	D88 F344	S66-D88 WeakPolarHBondContact CB-OD2 3.46Å; S66-D88 PolarHBondContact OG-OD2 2.87Å; S66-F344 WeakPolarHBondContact O-CD2 3.42Å; S66-F344 WeakPolarHBondContact O-CE2 3.06Å; S66-F344 WeakPolarHBondContact O-CG 3.48Å; S66-F344 WeakPolarHBondContact O-CZ 3.43Å
67	D	95.2	Very high	94.2	Very high	44 Å²	44	36.4 Å²	36.4	24%	0.235	20%	0.202	C	C	.	.	S	Bend	trans	-132.1	177.3	176.2	-160.3	7.5	0	0	0	112.4	Y87 D88 F344	D67-Y87 WeakPolarHBondContact OD2-CB 3.29Å; D67-D88 HydrophobicContact CB-CB 4.37Å; D67-D88 VanDerWaalsContact CB-OD1 3.29Å; D67-D88 WeakPolarHBondContact CB-OD1 3.36Å; D67-D88 WeakPolarHBondContact CB-OD2 3.33Å; D67-D88 PolarHBondContact N-OD2 3.11Å; D67-D88 VanDerWaalsContact N-OD2 3.17Å; D67-F344 HydrophobicContact CB-CD1 4.5Å; D67-F344 HydrophobicContact CB-CE1 4.44Å; D67-F344 WeakPolarHBondContact O-CA 3.38Å; D67-F344 WeakPolarHBondContact O-CB 3.41Å; D67-F344 VanDerWaalsContact OD1-CE1 3.26Å; D67-F344 WeakPolarHBondContact OD1-CE1 3.33Å
68	G	94.1	Very high	94	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-58.8	142.5	-169.5	0	0	0	0	0	112.8	S86 Y87	G68-S86 CarbonylContact O-C 3.52Å; G68-S86 VanDerWaalsContact O-CA 3.25Å; G68-S86 WeakPolarHBondContact O-CA 3.3Å; G68-Y87 WeakPolarHBondContact O-CD2 3.25Å; G68-Y87 PolarHBondContact O-N 3.27Å
69	V	96	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.5	178.8	-177.8	0	0	0	0	109.6	H65 F72 V327 S341 F344 I346	H65-V69 HydrophobicContact CB-CG2 4.46Å; V69-F72 HydrophobicContact CG1-CD1 4.36Å; V69-F72 HydrophobicContact CG1-CE1 3.78Å; V69-F72 HydrophobicContact CG1-CZ 4.02Å; V69-V327 HydrophobicContact CG1-CG1 4.07Å; V69-S341 PolarHBondContact N-O 3.3Å; V69-F344 WeakPolarHBondContact CG2-O 3.37Å; V69-I346 HydrophobicContact CB-CG1 4.46Å; V69-I346 HydrophobicContact CG1-CG1 4.3Å; V69-I346 HydrophobicContact CG2-CD1 4.23Å; V69-I346 HydrophobicContact CG2-CG1 3.81Å
70	H	95.3	Very high	93.7	Very high	41 Å²	41	40.5 Å²	40.5	19%	0.19	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-38.1	-175.5	-176.2	-105.5	0	0	0	113.2	G85 Y87 V112 R113 V327	H70-G85 PolarHBondContact N-O 3.44Å; H70-Y87 HydrophobicContact CB-CD1 3.95Å; H70-Y87 HydrophobicContact CB-CE1 3.52Å; H70-Y87 AromaticContact CD2-CE1 3.47Å; H70-Y87 VanDerWaalsContact CD2-CE1 3.47Å; H70-Y87 WeakPolarHBondContact CD2-CE1 3.39Å; H70-Y87 AromaticContact CD2-CZ 3.99Å; H70-Y87 AromaticContact CG-CE1 3.69Å; H70-V112 PolarHBondContact ND1-O 3.37Å; H70-R113 PolarHBondContact CE1-O 3.32Å; H70-R113 PolarHBondContact ND1-O 2.96Å; H70-R113 VanDerWaalsContact ND1-O 3.08Å; H70-V327 WeakPolarHBondContact O-CB 3.19Å
71	C	95.2	Very high	93.7	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.02	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.9	-174.2	58.3	0	0	0	0	112.6	S84 G85 V112 M115	C71-S84 WeakPolarHBondContact O-CA 3.42Å; C71-G85 PolarHBondContact N-O 3.18Å; C71-G85 PolarHBondContact O-N 2.88Å; C71-V112 PolarHBondContact SG-O 2.73Å; C71-M115 HydrophobicContact CB-CE 4.44Å; C71-M115 WeakPolarHBondContact O-CE 3.31Å
72	F	96.7	Very high	93.7	Very high	20 Å²	20	38.9 Å²	38.9	9%	0.088	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.4	170.2	-72.1	-50.7	0	0	0	110	V69 L83 V327 L338 G340 I346	V69-F72 HydrophobicContact CG1-CD1 4.36Å; V69-F72 HydrophobicContact CG1-CE1 3.78Å; V69-F72 HydrophobicContact CG1-CZ 4.02Å; F72-L83 WeakPolarHBondContact CA-O 3.46Å; F72-L83 WeakPolarHBondContact CD1-O 3.35Å; F72-V327 HydrophobicContact CB-CG2 4.35Å; F72-V327 HydrophobicContact CD2-CB 4.2Å; F72-V327 HydrophobicContact CD2-CG1 3.64Å; F72-V327 HydrophobicContact CD2-CG2 3.62Å; F72-V327 HydrophobicContact CE2-CB 4.39Å; F72-V327 HydrophobicContact CE2-CG1 3.5Å; F72-V327 HydrophobicContact CE2-CG2 4.28Å; F72-V327 HydrophobicContact CG-CG1 4.33Å; F72-V327 HydrophobicContact CG-CG2 4.22Å; F72-V327 HydrophobicContact CZ-CG1 4.06Å; F72-L338 HydrophobicContact CE2-CB 4.2Å; F72-L338 HydrophobicContact CZ-CB 4.49Å; F72-G340 VanDerWaalsContact CE2-N 3.28Å; F72-I346 HydrophobicContact CE1-CB 4.47Å; F72-I346 HydrophobicContact CE1-CD1 3.8Å; F72-I346 HydrophobicContact CE1-CG1 3.79Å; F72-I346 HydrophobicContact CE1-CG2 3.89Å; F72-I346 HydrophobicContact CZ-CB 4.33Å; F72-I346 HydrophobicContact CZ-CD1 4.41Å; F72-I346 HydrophobicContact CZ-CG1 3.9Å; F72-I346 HydrophobicContact CZ-CG2 3.67Å
73	A	96.1	Very high	93.8	Very high	8 Å²	8	38.8 Å²	38.8	7%	0.066	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132	165.4	0	0	0	0	0	110.1	L83 M115 F117	A73-L83 HydrophobicContact CB-CB 4.2Å; A73-L83 HydrophobicContact CB-CD1 4.45Å; A73-L83 PolarHBondContact N-O 2.96Å; A73-L83 PolarHBondContact O-N 2.87Å; A73-M115 HydrophobicContact CB-CB 3.97Å; A73-M115 HydrophobicContact CB-CE 4.32Å; A73-F117 HydrophobicContact CB-CD2 3.81Å; A73-F117 HydrophobicContact CB-CE2 3.93Å
74	K	94.9	Very high	94.1	Very high	53 Å²	53	34 Å²	34	23%	0.23	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133	177.4	-64.5	178.6	-68.9	-158.4	0	108.9	F117 D286 S329 W330 L332	K74-F117 VanDerWaalsContact C-CD2 3.48Å; K74-F117 WeakPolarHBondContact O-CD2 3.44Å; K74-D286 IonicContact NZ-OD1 2.67Å; K74-D286 IonicContact NZ-OD2 3.51Å; K74-D286 PolarHBondContact NZ-OD2 3.12Å; K74-S329 WeakPolarHBondContact CD-OG 3.32Å; K74-S329 WeakPolarHBondContact CE-OG 3.19Å; K74-S329 PolarHBondContact NZ-OG 2.98Å; K74-W330 WeakPolarHBondContact CD-O 3.47Å; K74-W330 PolarHBondContact NZ-O 3.12Å; K74-L332 HydrophobicContact CD-CG 4.45Å
75	H	94.9	Very high	94.5	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	17%	0.165	C	C	.	.			trans	-64.6	134.5	173.1	-173	-58.6	0	0	0	109.7	E77 R78 I81 F117 G121 L332	H75-E77 PolarHBondContact ND1-N 3.01Å; H75-E77 PolarHBondContact O-N 2.84Å; H75-R78 HydrophobicContact CB-CB 4.3Å; H75-R78 PolarHBondContact ND1-N 2.92Å; H75-I81 HydrophobicContact CB-CB 4.05Å; H75-I81 HydrophobicContact CB-CG2 4.39Å; H75-I81 WeakPolarHBondContact CB-O 3.49Å; H75-I81 PolarHBondContact N-O 2.85Å; H75-F117 HydrophobicContact CB-CE1 4.33Å; H75-F117 HydrophobicContact CB-CE2 4.19Å; H75-F117 HydrophobicContact CB-CZ 4.01Å; H75-F117 AromaticContact CD2-CE1 3.85Å; H75-G121 PolarHBondContact NE2-O 2.92Å; H75-L332 WeakPolarHBondContact O-CD1 3.47Å
76	P	92.6	Very high	94.6	Very high	10 Å²	10	31.7 Å²	31.7	7%	0.065	16%	0.163	C	C	.	.	S	Bend	trans	-65.2	-39.1	-173.2	23.9	-36.5	0	0	0	114.4	F117 D118 P119 R163	P76-F117 HydrophobicContact CG-CB 4.42Å; P76-D118 WeakPolarHBondContact CG-O 3.31Å; P76-P119 WeakPolarHBondContact CB-O 3.36Å; P76-P119 VanDerWaalsContact CG-O 3.3Å; P76-P119 WeakPolarHBondContact CG-O 3.45Å; P76-R163 VanDerWaalsContact CB-CZ 3.48Å; P76-R163 PolarHBondContact O-NH2 2.88Å
77	E	90.1	Very high	94.7	Very high	137 Å²	137	29.7 Å²	29.7	64%	0.64	14%	0.144	S	C	*	.	S	Bend	trans	-102.8	-39.2	-178.2	-55.7	-174.2	155.9	0	0	114.4	H75 L79	H75-E77 PolarHBondContact ND1-N 3.01Å; H75-E77 PolarHBondContact O-N 2.84Å; E77-L79 PolarHBondContact O-N 3.17Å
78	R	92.4	Very high	94.7	Very high	106 Å²	106	30.5 Å²	30.5	40%	0.4	15%	0.149	S	C	.	.			trans	-90.8	108.2	-174.3	-63.4	176.7	178.6	-160.8	-6.3	111.1	H75 S80 I81	H75-R78 HydrophobicContact CB-CB 4.3Å; H75-R78 PolarHBondContact ND1-N 2.92Å; R78-S80 PolarHBondContact O-N 2.79Å; R78-S80 VanDerWaalsContact O-N 3.16Å; R78-I81 HydrophobicContact CB-CD1 4.27Å; R78-I81 HydrophobicContact CB-CG1 4.3Å; R78-I81 PolarHBondContact O-N 2.83Å
79	L	92.9	Very high	94.7	Very high	104 Å²	104	30.5 Å²	30.5	55%	0.545	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.2	-178.8	-61.4	174.2	0	0	0	114.7	E77 L332	E77-L79 PolarHBondContact O-N 3.17Å; L79-L332 HydrophobicContact CD2-CB 3.41Å; L79-L332 VanDerWaalsContact CD2-CB 3.41Å; L79-L332 HydrophobicContact CD2-CD1 4.5Å
80	S	92.4	Very high	94.7	Very high	44 Å²	44	31.2 Å²	31.2	31%	0.308	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.8	-173.2	67.2	0	0	0	0	114.2	R78 D95 L96	R78-S80 PolarHBondContact O-N 2.79Å; R78-S80 VanDerWaalsContact O-N 3.16Å; S80-D95 WeakPolarHBondContact CB-OD1 3.26Å; S80-D95 CarbonylContact O-C 3.48Å; S80-D95 WeakPolarHBondContact O-CA 3.33Å; S80-L96 WeakPolarHBondContact O-CB 3.29Å; S80-L96 WeakPolarHBondContact O-CG 3.31Å; S80-L96 PolarHBondContact O-N 2.9Å
81	I	93.9	Very high	94.7	Very high	15 Å²	15	29.3 Å²	29.3	8%	0.077	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.5	-172.1	-57.9	-178.8	0	0	0	110.2	H75 R78 W94 F102	H75-I81 HydrophobicContact CB-CB 4.05Å; H75-I81 HydrophobicContact CB-CG2 4.39Å; H75-I81 WeakPolarHBondContact CB-O 3.49Å; H75-I81 PolarHBondContact N-O 2.85Å; R78-I81 HydrophobicContact CB-CD1 4.27Å; R78-I81 HydrophobicContact CB-CG1 4.3Å; R78-I81 PolarHBondContact O-N 2.83Å; I81-W94 WeakPolarHBondContact CA-O 3.34Å; I81-F102 HydrophobicContact CG2-CE1 4.34Å; I81-F102 HydrophobicContact CG2-CZ 4.36Å
82	T	95.4	Very high	94.7	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.049	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	142.6	173	55.1	0	0	0	0	110.9	W94 L96 L338	T82-W94 PolarHBondContact N-O 2.99Å; T82-W94 VanDerWaalsContact N-O 3.12Å; T82-W94 PolarHBondContact O-N 2.96Å; T82-L96 HydrophobicContact CG2-CD1 3.7Å; T82-L96 HydrophobicContact CG2-CG 4.19Å; T82-L338 HydrophobicContact CG2-CD1 3.83Å
83	L	96.1	Very high	94.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.7	174.1	-56.8	179.1	0	0	0	110.4	F72 A73 R92 M93 M115 F117 F124	F72-L83 WeakPolarHBondContact CA-O 3.46Å; F72-L83 WeakPolarHBondContact CD1-O 3.35Å; A73-L83 HydrophobicContact CB-CB 4.2Å; A73-L83 HydrophobicContact CB-CD1 4.45Å; A73-L83 PolarHBondContact N-O 2.96Å; A73-L83 PolarHBondContact O-N 2.87Å; L83-R92 CarbonylContact C-O 3.58Å; L83-R92 VanDerWaalsContact CA-O 3.31Å; L83-R92 WeakPolarHBondContact CA-O 3.42Å; L83-M93 HydrophobicContact CD2-CB 3.78Å; L83-M93 HydrophobicContact CD2-CG 3.34Å; L83-M93 HydrophobicContact CD2-SD 3.66Å; L83-M115 HydrophobicContact CB-CE 3.91Å; L83-M115 HydrophobicContact CB-SD 4.25Å; L83-F117 HydrophobicContact CB-CE2 4.45Å; L83-F117 HydrophobicContact CD1-CD2 4.33Å; L83-F117 HydrophobicContact CD1-CE1 4.08Å; L83-F117 HydrophobicContact CD1-CE2 3.49Å; L83-F117 VanDerWaalsContact CD1-CE2 3.49Å; L83-F117 HydrophobicContact CD1-CZ 3.34Å; L83-F117 HydrophobicContact CD2-CZ 4.25Å; L83-F117 HydrophobicContact CG-CE2 3.62Å; L83-F117 HydrophobicContact CG-CZ 3.5Å; L83-F124 HydrophobicContact CD1-CB 4.06Å; L83-F124 HydrophobicContact CD1-CD1 3.72Å; L83-F124 HydrophobicContact CD1-CD2 3.57Å; L83-F124 HydrophobicContact CD1-CE1 3.93Å; L83-F124 HydrophobicContact CD1-CE2 3.79Å; L83-F124 HydrophobicContact CD1-CG 3.51Å; L83-F124 HydrophobicContact CD1-CZ 3.94Å
84	S	96.8	Very high	94.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.3	171.8	59.7	0	0	0	0	110.5	H65 C71 I91 R92 W94 I346	H65-S84 PolarHBondContact NE2-OG 3.1Å; C71-S84 WeakPolarHBondContact O-CA 3.42Å; S84-I91 WeakPolarHBondContact O-CA 3.4Å; S84-R92 PolarHBondContact N-O 3.16Å; S84-R92 PolarHBondContact O-N 3.48Å; S84-W94 PolarHBondContact OG-NE1 2.85Å; S84-I346 VanDerWaalsContact CB-CD1 3.44Å; S84-I346 WeakPolarHBondContact OG-CD1 3.42Å
85	G	96.3	Very high	94.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.6	174.8	0	0	0	0	0	110.8	H70 C71 M115	H70-G85 PolarHBondContact N-O 3.44Å; C71-G85 PolarHBondContact N-O 3.18Å; C71-G85 PolarHBondContact O-N 2.88Å; G85-M115 VanDerWaalsContact N-CE 3.26Å
86	S	96.4	Very high	94.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	170.1	176.7	62.5	0	0	0	0	112.6	H65 G68 D88 G89 E90 V112	H65-S86 WeakPolarHBondContact ND1-CB 3.4Å; G68-S86 CarbonylContact O-C 3.52Å; G68-S86 VanDerWaalsContact O-CA 3.25Å; G68-S86 WeakPolarHBondContact O-CA 3.3Å; S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 PolarHBondContact OG-N 2.98Å; S86-G89 PolarHBondContact O-N 3.41Å; S86-E90 PolarHBondContact N-O 2.99Å; S86-E90 WeakPolarHBondContact OG-CB 3.42Å; S86-E90 PolarHBondContact OG-N 2.84Å; S86-E90 PolarHBondContact OG-O 3.07Å; S86-V112 WeakPolarHBondContact O-CG2 3.5Å; S86-V112 PolarHBondContact O-N 3.43Å; S86-V112 VanDerWaalsContact O-N 3.08Å
87	Y	95.6	Very high	94.4	Very high	26 Å²	26	37.3 Å²	37.3	10%	0.102	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.3	168.8	-66.3	-45.5	0	0	0	113	D67 G68 H70 G89 G110 F111 M326	D67-Y87 WeakPolarHBondContact OD2-CB 3.29Å; G68-Y87 WeakPolarHBondContact O-CD2 3.25Å; G68-Y87 PolarHBondContact O-N 3.27Å; H70-Y87 HydrophobicContact CB-CD1 3.95Å; H70-Y87 HydrophobicContact CB-CE1 3.52Å; H70-Y87 AromaticContact CD2-CE1 3.47Å; H70-Y87 VanDerWaalsContact CD2-CE1 3.47Å; H70-Y87 WeakPolarHBondContact CD2-CE1 3.39Å; H70-Y87 AromaticContact CD2-CZ 3.99Å; H70-Y87 AromaticContact CG-CE1 3.69Å; Y87-G89 PolarHBondContact O-N 2.73Å; Y87-G89 VanDerWaalsContact O-N 3.12Å; Y87-G110 CarbonylContact O-C 3.46Å; Y87-F111 HydrophobicContact CD1-CB 4.26Å; Y87-F111 HydrophobicContact CD1-CD1 4.32Å; Y87-F111 AromaticContact CD1-CD2 3.42Å; Y87-F111 HydrophobicContact CD1-CD2 3.42Å; Y87-F111 VanDerWaalsContact CD1-CD2 3.42Å; Y87-F111 AromaticContact CD1-CE2 3.7Å; Y87-F111 HydrophobicContact CD1-CE2 3.7Å; Y87-F111 AromaticContact CD1-CG 3.76Å; Y87-F111 HydrophobicContact CD1-CG 3.76Å; Y87-F111 HydrophobicContact CD1-CZ 4.24Å; Y87-F111 AromaticContact CE1-CD2 3.99Å; Y87-F111 HydrophobicContact CE1-CD2 3.99Å; Y87-F111 HydrophobicContact CE1-CE2 4.19Å; Y87-F111 HydrophobicContact CG-CD2 4.22Å; Y87-F111 HydrophobicContact CG-CE1 4.43Å; Y87-F111 HydrophobicContact CG-CE2 4.19Å; Y87-F111 HydrophobicContact CG-CG 4.38Å; Y87-F111 HydrophobicContact CG-CZ 4.28Å; Y87-F111 VanDerWaalsContact O-CA 3.27Å; Y87-F111 WeakPolarHBondContact O-CA 3.48Å; Y87-F111 WeakPolarHBondContact O-CD1 3.41Å; Y87-F111 PolarHBondContact O-N 3.29Å; Y87-M326 WeakPolarHBondContact OH-CE 3.27Å
88	D	94.4	Very high	94.5	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.332	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-4.8	177.5	-68.9	-26.8	0	0	0	114.1	S66 D67 S86 Q106	S66-D88 WeakPolarHBondContact CB-OD2 3.46Å; S66-D88 PolarHBondContact OG-OD2 2.87Å; D67-D88 HydrophobicContact CB-CB 4.37Å; D67-D88 VanDerWaalsContact CB-OD1 3.29Å; D67-D88 WeakPolarHBondContact CB-OD1 3.36Å; D67-D88 WeakPolarHBondContact CB-OD2 3.33Å; D67-D88 PolarHBondContact N-OD2 3.11Å; D67-D88 VanDerWaalsContact N-OD2 3.17Å; S86-D88 VanDerWaalsContact C-N 3.27Å; S86-D88 PolarHBondContact OG-N 2.98Å; D88-Q106 PolarHBondContact O-NE2 3.44Å
89	G	95.1	Very high	94.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	89.4	3.6	-176.8	0	0	0	0	0	114.4	S86 Y87 A107 H108 G110	S86-G89 PolarHBondContact O-N 3.41Å; Y87-G89 PolarHBondContact O-N 2.73Å; Y87-G89 VanDerWaalsContact O-N 3.12Å; G89-A107 WeakPolarHBondContact O-CB 3.33Å; G89-A107 PolarHBondContact O-N 2.83Å; G89-H108 PolarHBondContact O-N 2.85Å; G89-H108 VanDerWaalsContact O-N 3.1Å; G89-G110 WeakPolarHBondContact CA-O 3.25Å; G89-G110 PolarHBondContact N-O 2.91Å
90	E	95.5	Very high	94.6	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.07	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	136.4	178	-159.5	-168.4	160.3	0	0	111	S86 R92 H104 F105	S86-E90 PolarHBondContact N-O 2.99Å; S86-E90 WeakPolarHBondContact OG-CB 3.42Å; S86-E90 PolarHBondContact OG-N 2.84Å; S86-E90 PolarHBondContact OG-O 3.07Å; E90-R92 VanDerWaalsContact CD-NE 3.27Å; E90-R92 VanDerWaalsContact CD-NH2 3.35Å; E90-R92 IonicContact OE1-CZ 2.73Å; E90-R92 IonicContact OE1-NE 3.46Å; E90-R92 PolarHBondContact OE1-NE 2.85Å; E90-R92 IonicContact OE1-NH2 3.81Å; E90-R92 PolarHBondContact OE1-NH2 3.31Å; E90-R92 IonicContact OE2-CZ 3.09Å; E90-R92 IonicContact OE2-NE 3.68Å; E90-R92 PolarHBondContact OE2-NE 2.85Å; E90-R92 IonicContact OE2-NH2 3.94Å; E90-R92 PolarHBondContact OE2-NH2 2.99Å; E90-H104 VanDerWaalsContact OE1-CB 3.27Å; E90-H104 WeakPolarHBondContact OE1-CB 3.38Å; E90-H104 IonicContact OE1-CD2 2.61Å; E90-H104 PolarHBondContact OE1-CD2 3.39Å; E90-H104 IonicContact OE1-CG 2.7Å; E90-F105 WeakPolarHBondContact CG-O 3.42Å
91	I	95.9	Very high	94.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.8	170.7	-63.4	177.5	0	0	0	108.9	S84 H104 F105 A107 V112 M115 F124	S84-I91 WeakPolarHBondContact O-CA 3.4Å; I91-H104 WeakPolarHBondContact O-CA 3.32Å; I91-F105 HydrophobicContact CB-CE2 4.37Å; I91-F105 HydrophobicContact CB-CZ 4.19Å; I91-F105 HydrophobicContact CG2-CZ 4.36Å; I91-F105 PolarHBondContact N-O 3.37Å; I91-F105 PolarHBondContact O-N 3.41Å; I91-F105 VanDerWaalsContact O-N 3.15Å; I91-A107 HydrophobicContact CB-CB 4.28Å; I91-A107 HydrophobicContact CD1-CB 3.37Å; I91-A107 HydrophobicContact CG1-CB 3.62Å; I91-V112 HydrophobicContact CD1-CG1 4.12Å; I91-V112 HydrophobicContact CG1-CG1 4.15Å; I91-V112 HydrophobicContact CG1-CG2 3.95Å; I91-M115 HydrophobicContact CD1-CG 4.41Å; I91-M115 HydrophobicContact CD1-SD 3.91Å; I91-M115 HydrophobicContact CG1-SD 4Å; I91-M115 HydrophobicContact CG2-SD 3.89Å; I91-F124 HydrophobicContact CD1-CE2 4.29Å; I91-F124 HydrophobicContact CG2-CE2 4.22Å; I91-F124 HydrophobicContact CG2-CZ 4.4Å
92	R	94.9	Very high	94.5	Very high	31 Å²	31	43.6 Å²	43.6	12%	0.117	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.7	177.9	-64.1	-166.5	174.8	-166.2	9.9	112.3	G64 H65 L83 S84 E90 W94 H104	G64-R92 VanDerWaalsContact C-NH2 3.34Å; G64-R92 PolarHBondContact O-NH1 2.96Å; G64-R92 PolarHBondContact O-NH2 3.15Å; H65-R92 VanDerWaalsContact CE1-CG 3.42Å; H65-R92 WeakPolarHBondContact CE1-CG 3.47Å; L83-R92 CarbonylContact C-O 3.58Å; L83-R92 VanDerWaalsContact CA-O 3.31Å; L83-R92 WeakPolarHBondContact CA-O 3.42Å; S84-R92 PolarHBondContact N-O 3.16Å; S84-R92 PolarHBondContact O-N 3.48Å; E90-R92 VanDerWaalsContact CD-NE 3.27Å; E90-R92 VanDerWaalsContact CD-NH2 3.35Å; E90-R92 IonicContact OE1-CZ 2.73Å; E90-R92 IonicContact OE1-NE 3.46Å; E90-R92 PolarHBondContact OE1-NE 2.85Å; E90-R92 IonicContact OE1-NH2 3.81Å; E90-R92 PolarHBondContact OE1-NH2 3.31Å; E90-R92 IonicContact OE2-CZ 3.09Å; E90-R92 IonicContact OE2-NE 3.68Å; E90-R92 PolarHBondContact OE2-NE 2.85Å; E90-R92 IonicContact OE2-NH2 3.94Å; E90-R92 PolarHBondContact OE2-NH2 2.99Å; R92-W94 HydrophobicContact CB-CZ2 4Å; R92-H104 HydrophobicContact CB-CB 4.49Å; R92-H104 HydrophobicContact CG-CB 3.7Å
93	M	94.8	Very high	94.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.9	176.4	-44.9	-150.5	-95.1	0	0	110.2	L83 C101 F102 N103 F124 M140	L83-M93 HydrophobicContact CD2-CB 3.78Å; L83-M93 HydrophobicContact CD2-CG 3.34Å; L83-M93 HydrophobicContact CD2-SD 3.66Å; M93-C101 WeakPolarHBondContact O-CA 3.16Å; M93-F102 HydrophobicContact CB-CD1 4.24Å; M93-F102 HydrophobicContact CB-CD2 4.47Å; M93-F102 HydrophobicContact CB-CE1 3.58Å; M93-F102 HydrophobicContact CB-CE2 3.85Å; M93-F102 HydrophobicContact CB-CZ 3.36Å; M93-F102 HydrophobicContact CE-CE2 3.89Å; M93-F102 HydrophobicContact CE-CZ 4.35Å; M93-F102 HydrophobicContact CG-CZ 4.31Å; M93-F102 VanDerWaalsContact O-CD1 3.31Å; M93-F102 WeakPolarHBondContact O-CD1 3.42Å; M93-F102 PolarHBondContact O-N 2.94Å; M93-F102 HydrophobicContact SD-CE2 4.29Å; M93-F102 HydrophobicContact SD-CZ 4.14Å; M93-N103 HydrophobicContact CB-CB 4.3Å; M93-N103 HydrophobicContact CE-CB 3.47Å; M93-N103 VanDerWaalsContact CE-CB 3.47Å; M93-N103 VanDerWaalsContact CE-ND2 3.26Å; M93-N103 WeakPolarHBondContact CE-ND2 3.08Å; M93-N103 HydrophobicContact CG-CB 4.25Å; M93-N103 PolarHBondContact N-O 3.45Å; M93-F124 HydrophobicContact SD-CE1 4.15Å; M93-M140 HydrophobicContact CE-CG 3.94Å
94	W	94.8	Very high	94.1	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.3	-175	-56.8	92.1	0	0	0	110.9	L62 D63 I81 T82 S84 R92 C101 I346	L62-W94 HydrophobicContact CB-CD2 4.34Å; L62-W94 HydrophobicContact CB-CE3 3.85Å; L62-W94 HydrophobicContact CB-CH2 4.04Å; L62-W94 HydrophobicContact CB-CZ3 3.68Å; L62-W94 HydrophobicContact CD1-CB 4.43Å; L62-W94 HydrophobicContact CD1-CD2 4.15Å; L62-W94 HydrophobicContact CD1-CE3 4.07Å; L62-W94 HydrophobicContact CD1-CG 4.3Å; L62-W94 HydrophobicContact CD2-CE3 4.08Å; L62-W94 HydrophobicContact CD2-CZ3 4.34Å; L62-W94 HydrophobicContact CG-CE3 4.22Å; L62-W94 HydrophobicContact CG-CZ3 4.45Å; D63-W94 WeakPolarHBondContact O-CH2 3.38Å; I81-W94 WeakPolarHBondContact CA-O 3.34Å; T82-W94 PolarHBondContact N-O 2.99Å; T82-W94 VanDerWaalsContact N-O 3.12Å; T82-W94 PolarHBondContact O-N 2.96Å; S84-W94 PolarHBondContact OG-NE1 2.85Å; R92-W94 HydrophobicContact CB-CZ2 4Å; W94-C101 HydrophobicContact CD2-CB 4.32Å; W94-C101 HydrophobicContact CE3-CB 3.74Å; W94-C101 HydrophobicContact CH2-CB 3.9Å; W94-C101 HydrophobicContact CZ2-CB 4.45Å; W94-C101 HydrophobicContact CZ3-CB 3.51Å; W94-I346 HydrophobicContact CZ2-CD1 3.87Å
95	D	94.2	Very high	94	Very high	26 Å²	26	50.5 Å²	50.5	14%	0.139	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	105	161.8	179.6	5.7	0	0	0	108.6	S80 K97 R98 K99 Q100 F102	S80-D95 WeakPolarHBondContact CB-OD1 3.26Å; S80-D95 CarbonylContact O-C 3.48Å; S80-D95 WeakPolarHBondContact O-CA 3.33Å; D95-K97 PolarHBondContact O-N 3.19Å; D95-K97 WeakPolarHBondContact OD1-CB 3.32Å; D95-K97 PolarHBondContact OD1-N 3.48Å; D95-R98 HydrophobicContact CB-CB 4.39Å; D95-R98 PolarHBondContact O-N 3.3Å; D95-R98 WeakPolarHBondContact OD2-CD 3.42Å; D95-R98 VanDerWaalsContact OD2-CG 3.3Å; D95-R98 WeakPolarHBondContact OD2-CG 3.48Å; D95-R98 IonicContact OD2-NE 3.74Å; D95-K99 WeakPolarHBondContact O-CA 3.28Å; D95-K99 PolarHBondContact O-N 3.5Å; D95-Q100 PolarHBondContact N-O 2.79Å; D95-Q100 PolarHBondContact O-N 3.47Å; D95-F102 HydrophobicContact CB-CD1 4.07Å
96	L	93.6	Very high	93.9	Very high	22 Å²	22	55.6 Å²	55.6	12%	0.115	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.9	-179.4	-63.2	-178.9	0	0	0	113	L62 S80 T82 T331 L338	L62-L96 HydrophobicContact CD1-CD2 3.97Å; S80-L96 WeakPolarHBondContact O-CB 3.29Å; S80-L96 WeakPolarHBondContact O-CG 3.31Å; S80-L96 PolarHBondContact O-N 2.9Å; T82-L96 HydrophobicContact CG2-CD1 3.7Å; T82-L96 HydrophobicContact CG2-CG 4.19Å; L96-T331 HydrophobicContact CD1-CG2 4.04Å; L96-L338 HydrophobicContact CD1-CD1 4.33Å; L96-L338 HydrophobicContact CD2-CD1 4.24Å; L96-L338 HydrophobicContact CD2-CD2 4.02Å
97	K	91.6	Very high	93.8	Very high	182 Å²	182	55.7 Å²	55.7	79%	0.791	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-47.3	177.7	-177.7	-177.9	177.2	-178.7	0	110.5	D95	D95-K97 PolarHBondContact O-N 3.19Å; D95-K97 WeakPolarHBondContact OD1-CB 3.32Å; D95-K97 PolarHBondContact OD1-N 3.48Å
98	R	92.4	Very high	93.7	Very high	181 Å²	181	54.6 Å²	54.6	68%	0.683	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-16.8	178.7	-68.8	179.8	176.2	178.6	-0.1	113	D95 Q100	D95-R98 HydrophobicContact CB-CB 4.39Å; D95-R98 PolarHBondContact O-N 3.3Å; D95-R98 WeakPolarHBondContact OD2-CD 3.42Å; D95-R98 VanDerWaalsContact OD2-CG 3.3Å; D95-R98 WeakPolarHBondContact OD2-CG 3.48Å; D95-R98 IonicContact OD2-NE 3.74Å; R98-Q100 HydrophobicContact CB-CB 4.38Å; R98-Q100 PolarHBondContact O-N 3.3Å
99	K	93.1	Very high	93.7	Very high	92 Å²	92	56.8 Å²	56.8	40%	0.4	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	38.6	-174.7	-53.6	170.1	175.6	-175.1	0	112	C60 L62 D95	C60-K99 HydrophobicContact CB-CD 4.14Å; C60-K99 VanDerWaalsContact SG-CD 3.57Å; L62-K99 HydrophobicContact CD2-CB 3.9Å; L62-K99 WeakPolarHBondContact CD2-O 3.33Å; D95-K99 WeakPolarHBondContact O-CA 3.28Å; D95-K99 PolarHBondContact O-N 3.5Å
100	Q	92.7	Very high	93.6	Very high	123 Å²	123	57.6 Å²	57.6	58%	0.575	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.2	-176	-74	176.7	-20.3	0	0	110	D95 R98 F102	D95-Q100 PolarHBondContact N-O 2.79Å; D95-Q100 PolarHBondContact O-N 3.47Å; R98-Q100 HydrophobicContact CB-CB 4.38Å; R98-Q100 PolarHBondContact O-N 3.3Å; Q100-F102 PolarHBondContact O-N 3.32Å
101	C	93	Very high	93.6	Very high	40 Å²	40	60.4 Å²	60.4	27%	0.27	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	117.8	163.9	-171.1	0	0	0	0	107	M93 W94 N103	M93-C101 WeakPolarHBondContact O-CA 3.16Å; W94-C101 HydrophobicContact CD2-CB 4.32Å; W94-C101 HydrophobicContact CE3-CB 3.74Å; W94-C101 HydrophobicContact CH2-CB 3.9Å; W94-C101 HydrophobicContact CZ2-CB 4.45Å; W94-C101 HydrophobicContact CZ3-CB 3.51Å; C101-N103 PolarHBondContact SG-O 2.94Å
102	F	91.8	Very high	93.6	Very high	103 Å²	103	60.4 Å²	60.4	45%	0.452	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-19.2	177.5	68.8	-93.4	0	0	0	112.1	I81 M93 D95 Q100	I81-F102 HydrophobicContact CG2-CE1 4.34Å; I81-F102 HydrophobicContact CG2-CZ 4.36Å; M93-F102 HydrophobicContact CB-CD1 4.24Å; M93-F102 HydrophobicContact CB-CD2 4.47Å; M93-F102 HydrophobicContact CB-CE1 3.58Å; M93-F102 HydrophobicContact CB-CE2 3.85Å; M93-F102 HydrophobicContact CB-CZ 3.36Å; M93-F102 HydrophobicContact CE-CE2 3.89Å; M93-F102 HydrophobicContact CE-CZ 4.35Å; M93-F102 HydrophobicContact CG-CZ 4.31Å; M93-F102 VanDerWaalsContact O-CD1 3.31Å; M93-F102 WeakPolarHBondContact O-CD1 3.42Å; M93-F102 PolarHBondContact O-N 2.94Å; M93-F102 HydrophobicContact SD-CE2 4.29Å; M93-F102 HydrophobicContact SD-CZ 4.14Å; D95-F102 HydrophobicContact CB-CD1 4.07Å; Q100-F102 PolarHBondContact O-N 3.32Å
103	N	91.3	Very high	93.6	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	147.6	173.5	-158.5	6.4	0	0	0	111	M93 C101	M93-N103 HydrophobicContact CB-CB 4.3Å; M93-N103 HydrophobicContact CE-CB 3.47Å; M93-N103 VanDerWaalsContact CE-CB 3.47Å; M93-N103 VanDerWaalsContact CE-ND2 3.26Å; M93-N103 WeakPolarHBondContact CE-ND2 3.08Å; M93-N103 HydrophobicContact CG-CB 4.25Å; M93-N103 PolarHBondContact N-O 3.45Å; C101-N103 PolarHBondContact SG-O 2.94Å
104	H	92.8	Very high	93.7	Very high	101 Å²	101	61.2 Å²	61.2	47%	0.468	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	149.4	173.4	66.1	-74.1	0	0	0	109.3	E90 I91 R92	E90-H104 VanDerWaalsContact OE1-CB 3.27Å; E90-H104 WeakPolarHBondContact OE1-CB 3.38Å; E90-H104 IonicContact OE1-CD2 2.61Å; E90-H104 PolarHBondContact OE1-CD2 3.39Å; E90-H104 IonicContact OE1-CG 2.7Å; I91-H104 WeakPolarHBondContact O-CA 3.32Å; R92-H104 HydrophobicContact CB-CB 4.49Å; R92-H104 HydrophobicContact CG-CB 3.7Å
105	F	93.6	Very high	93.8	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.022	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	158.7	178.4	58.4	-90	0	0	0	110.4	E90 I91 A107 F124 W136 E144	E90-F105 WeakPolarHBondContact CG-O 3.42Å; I91-F105 HydrophobicContact CB-CE2 4.37Å; I91-F105 HydrophobicContact CB-CZ 4.19Å; I91-F105 HydrophobicContact CG2-CZ 4.36Å; I91-F105 PolarHBondContact N-O 3.37Å; I91-F105 PolarHBondContact O-N 3.41Å; I91-F105 VanDerWaalsContact O-N 3.15Å; F105-A107 HydrophobicContact CD2-CB 4.17Å; F105-A107 HydrophobicContact CE2-CB 3.77Å; F105-A107 PolarHBondContact O-N 2.95Å; F105-F124 HydrophobicContact CE1-CZ 4.25Å; F105-F124 HydrophobicContact CZ-CE2 4.36Å; F105-F124 AromaticContact CZ-CZ 3.82Å; F105-F124 HydrophobicContact CZ-CZ 3.82Å; F105-W136 HydrophobicContact CD2-CE3 4.26Å; F105-W136 AromaticContact CD2-CH2 3.82Å; F105-W136 HydrophobicContact CD2-CH2 3.82Å; F105-W136 HydrophobicContact CD2-CZ2 4.23Å; F105-W136 AromaticContact CD2-CZ3 3.85Å; F105-W136 HydrophobicContact CD2-CZ3 3.85Å; F105-W136 AromaticContact CE2-CD2 3.55Å; F105-W136 HydrophobicContact CE2-CD2 3.55Å; F105-W136 AromaticContact CE2-CE2 3.54Å; F105-W136 AromaticContact CE2-CE3 3.53Å; F105-W136 HydrophobicContact CE2-CE3 3.53Å; F105-W136 HydrophobicContact CE2-CG 4.31Å; F105-W136 AromaticContact CE2-CH2 3.52Å; F105-W136 HydrophobicContact CE2-CH2 3.52Å; F105-W136 AromaticContact CE2-CZ2 3.55Å; F105-W136 HydrophobicContact CE2-CZ2 3.55Å; F105-W136 AromaticContact CE2-CZ3 3.51Å; F105-W136 HydrophobicContact CE2-CZ3 3.51Å; F105-W136 AromaticContact CZ-CD2 3.67Å; F105-W136 HydrophobicContact CZ-CD2 3.67Å; F105-W136 AromaticContact CZ-CE3 3.76Å; F105-W136 HydrophobicContact CZ-CE3 3.76Å; F105-W136 HydrophobicContact CZ-CG 4.02Å; F105-W136 HydrophobicContact CZ-CZ2 4.47Å; F105-W136 HydrophobicContact CZ-CZ3 4.19Å; F105-E144 HydrophobicContact CB-CB 4.39Å; F105-E144 HydrophobicContact CB-CG 4.23Å
106	Q	93.9	Very high	93.9	Very high	108 Å²	108	60.6 Å²	60.6	51%	0.505	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	105.8	175.8	-168.7	67.3	20.6	0	0	109.7	D88 H108	D88-Q106 PolarHBondContact O-NE2 3.44Å; Q106-H108 PolarHBondContact NE2-O 3.37Å
107	A	93.8	Very high	94	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.008	29%	0.289	C	S	.	.			trans	-88	-42.2	-176	0	0	0	0	0	112.3	G89 I91 F105 K134 W136	G89-A107 WeakPolarHBondContact O-CB 3.33Å; G89-A107 PolarHBondContact O-N 2.83Å; I91-A107 HydrophobicContact CB-CB 4.28Å; I91-A107 HydrophobicContact CD1-CB 3.37Å; I91-A107 HydrophobicContact CG1-CB 3.62Å; F105-A107 HydrophobicContact CD2-CB 4.17Å; F105-A107 HydrophobicContact CE2-CB 3.77Å; F105-A107 PolarHBondContact O-N 2.95Å; A107-K134 VanDerWaalsContact O-CD 3.3Å; A107-K134 WeakPolarHBondContact O-CD 3.46Å; A107-K134 WeakPolarHBondContact O-CE 3.43Å; A107-K134 PolarHBondContact O-NZ 2.82Å; A107-W136 HydrophobicContact CB-CZ2 3.84Å
108	H	95.1	Very high	94.1	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.019	25%	0.253	C	S	.	.			trans	-133.6	160.5	-175.6	-65.7	-82.7	0	0	0	110.5	G89 Q106 G110 S126 D130 V132	G89-H108 PolarHBondContact O-N 2.85Å; G89-H108 VanDerWaalsContact O-N 3.1Å; Q106-H108 PolarHBondContact NE2-O 3.37Å; H108-G110 VanDerWaalsContact C-N 3.26Å; H108-S126 WeakPolarHBondContact NE2-CB 3.4Å; H108-S126 PolarHBondContact NE2-OG 3.43Å; H108-D130 IonicContact CE1-OD1 2.76Å; H108-D130 IonicContact CG-OD1 2.65Å; H108-D130 IonicContact CG-OD2 3.71Å; H108-D130 IonicContact ND1-OD1 3.8Å; H108-D130 PolarHBondContact ND1-OD1 2.83Å; H108-D130 IonicContact ND1-OD2 2.71Å; H108-D130 PolarHBondContact ND1-OD2 2.72Å; H108-V132 PolarHBondContact CE1-O 2.74Å; H108-V132 VanDerWaalsContact CE1-O 3.3Å
109	S	93.4	Very high	94.1	Very high	107 Å²	107	44.6 Å²	44.6	75%	0.748	23%	0.228	S	C	*	.	S	Bend	trans	-80.9	-6.1	175.5	58.1	0	0	0	0	113.9
110	G	93.1	Very high	94	Very high	17 Å²	17	47 Å²	47	18%	0.175	24%	0.235	C	C	.	.	S	Bend	trans	-146.6	-154.2	177.9	0	0	0	0	0	110.7	Y87 G89 H108 V112	Y87-G110 CarbonylContact O-C 3.46Å; G89-G110 WeakPolarHBondContact CA-O 3.25Å; G89-G110 PolarHBondContact N-O 2.91Å; H108-G110 VanDerWaalsContact C-N 3.26Å; G110-V112 PolarHBondContact O-N 3.27Å
111	F	95	Very high	93.9	Very high	74 Å²	74	41.3 Å²	41.3	33%	0.325	21%	0.208	S	C	.	.			trans	-64	134	-164.5	-65.4	11.3	0	0	0	111.9	Y87 R113 G128 D129	Y87-F111 HydrophobicContact CD1-CB 4.26Å; Y87-F111 HydrophobicContact CD1-CD1 4.32Å; Y87-F111 AromaticContact CD1-CD2 3.42Å; Y87-F111 HydrophobicContact CD1-CD2 3.42Å; Y87-F111 VanDerWaalsContact CD1-CD2 3.42Å; Y87-F111 AromaticContact CD1-CE2 3.7Å; Y87-F111 HydrophobicContact CD1-CE2 3.7Å; Y87-F111 AromaticContact CD1-CG 3.76Å; Y87-F111 HydrophobicContact CD1-CG 3.76Å; Y87-F111 HydrophobicContact CD1-CZ 4.24Å; Y87-F111 AromaticContact CE1-CD2 3.99Å; Y87-F111 HydrophobicContact CE1-CD2 3.99Å; Y87-F111 HydrophobicContact CE1-CE2 4.19Å; Y87-F111 HydrophobicContact CG-CD2 4.22Å; Y87-F111 HydrophobicContact CG-CE1 4.43Å; Y87-F111 HydrophobicContact CG-CE2 4.19Å; Y87-F111 HydrophobicContact CG-CG 4.38Å; Y87-F111 HydrophobicContact CG-CZ 4.28Å; Y87-F111 VanDerWaalsContact O-CA 3.27Å; Y87-F111 WeakPolarHBondContact O-CA 3.48Å; Y87-F111 WeakPolarHBondContact O-CD1 3.41Å; Y87-F111 PolarHBondContact O-N 3.29Å; F111-R113 VanDerWaalsContact CD2-NH2 3.33Å; F111-R113 PolarHBondContact O-N 3.42Å; F111-R113 VanDerWaalsContact O-N 3.09Å; F111-G128 WeakPolarHBondContact O-CA 3.45Å; F111-D129 PolarHBondContact O-N 2.86Å
112	V	96.6	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	97.6	167.5	-169.9	0	0	0	0	108.4	H70 C71 S86 I91 G110 M115	H70-V112 PolarHBondContact ND1-O 3.37Å; C71-V112 PolarHBondContact SG-O 2.73Å; S86-V112 WeakPolarHBondContact O-CG2 3.5Å; S86-V112 PolarHBondContact O-N 3.43Å; S86-V112 VanDerWaalsContact O-N 3.08Å; I91-V112 HydrophobicContact CD1-CG1 4.12Å; I91-V112 HydrophobicContact CG1-CG1 4.15Å; I91-V112 HydrophobicContact CG1-CG2 3.95Å; G110-V112 PolarHBondContact O-N 3.27Å; V112-M115 HydrophobicContact CG1-CG 3.75Å; V112-M115 HydrophobicContact CG1-SD 4.15Å
113	R	95.7	Very high	93.9	Very high	48 Å²	48	41.3 Å²	41.3	18%	0.181	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-42.4	-173.8	-71.3	-66.7	-177.6	-167.3	-8.2	112.3	H70 F111 V127 D129 L156 M157	H70-R113 PolarHBondContact CE1-O 3.32Å; H70-R113 PolarHBondContact ND1-O 2.96Å; H70-R113 VanDerWaalsContact ND1-O 3.08Å; F111-R113 VanDerWaalsContact CD2-NH2 3.33Å; F111-R113 PolarHBondContact O-N 3.42Å; F111-R113 VanDerWaalsContact O-N 3.09Å; R113-V127 PolarHBondContact N-O 3.19Å; R113-D129 WeakPolarHBondContact CG-OD1 3.15Å; R113-D129 IonicContact CZ-OD1 3.6Å; R113-D129 IonicContact CZ-OD2 2.8Å; R113-D129 IonicContact NE-OD1 3.94Å; R113-D129 PolarHBondContact NE-OD1 2.89Å; R113-D129 IonicContact NE-OD2 3.68Å; R113-D129 IonicContact NH2-OD1 3.93Å; R113-D129 PolarHBondContact NH2-OD1 3.4Å; R113-D129 IonicContact NH2-OD2 3.72Å; R113-D129 PolarHBondContact NH2-OD2 3.15Å; R113-L156 WeakPolarHBondContact CG-O 3.24Å; R113-M157 WeakPolarHBondContact CB-O 3.29Å
114	G	95.9	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	156.2	-179.9	0	0	0	0	0	112.6	V127 I159	G114-V127 PolarHBondContact N-O 3.02Å; G114-V127 PolarHBondContact O-N 3.46Å; G114-I159 VanDerWaalsContact C-CG2 3.42Å
115	M	96.7	Very high	94.2	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	141.9	174.1	-63.4	-176.4	-54.1	0	0	109.6	C71 A73 L83 G85 I91 V112 F125	C71-M115 HydrophobicContact CB-CE 4.44Å; C71-M115 WeakPolarHBondContact O-CE 3.31Å; A73-M115 HydrophobicContact CB-CB 3.97Å; A73-M115 HydrophobicContact CB-CE 4.32Å; L83-M115 HydrophobicContact CB-CE 3.91Å; L83-M115 HydrophobicContact CB-SD 4.25Å; G85-M115 VanDerWaalsContact N-CE 3.26Å; I91-M115 HydrophobicContact CD1-CG 4.41Å; I91-M115 HydrophobicContact CD1-SD 3.91Å; I91-M115 HydrophobicContact CG1-SD 4Å; I91-M115 HydrophobicContact CG2-SD 3.89Å; V112-M115 HydrophobicContact CG1-CG 3.75Å; V112-M115 HydrophobicContact CG1-SD 4.15Å; M115-F125 VanDerWaalsContact CA-O 3.27Å; M115-F125 WeakPolarHBondContact CA-O 3.49Å
116	A	96.3	Very high	94.4	Very high	10 Å²	10	34.2 Å²	34.2	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	139.2	175.1	0	0	0	0	0	110.9	F124 F125 I159 H161	A116-F124 CarbonylContact O-C 3.59Å; A116-F124 WeakPolarHBondContact O-CA 3.24Å; A116-F124 WeakPolarHBondContact O-CB 3.05Å; A116-F125 PolarHBondContact N-O 2.48Å; A116-F125 PolarHBondContact O-N 2.81Å; A116-I159 HydrophobicContact CB-CG2 4.27Å; A116-H161 HydrophobicContact CB-CB 3.87Å
117	F	95.8	Very high	94.5	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.07	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	145.8	171.6	-84.8	-84.1	0	0	0	110.8	A73 K74 H75 P76 L83 F124 T138 H161	A73-F117 HydrophobicContact CB-CD2 3.81Å; A73-F117 HydrophobicContact CB-CE2 3.93Å; K74-F117 VanDerWaalsContact C-CD2 3.48Å; K74-F117 WeakPolarHBondContact O-CD2 3.44Å; H75-F117 HydrophobicContact CB-CE1 4.33Å; H75-F117 HydrophobicContact CB-CE2 4.19Å; H75-F117 HydrophobicContact CB-CZ 4.01Å; H75-F117 AromaticContact CD2-CE1 3.85Å; P76-F117 HydrophobicContact CG-CB 4.42Å; L83-F117 HydrophobicContact CB-CE2 4.45Å; L83-F117 HydrophobicContact CD1-CD2 4.33Å; L83-F117 HydrophobicContact CD1-CE1 4.08Å; L83-F117 HydrophobicContact CD1-CE2 3.49Å; L83-F117 VanDerWaalsContact CD1-CE2 3.49Å; L83-F117 HydrophobicContact CD1-CZ 3.34Å; L83-F117 HydrophobicContact CD2-CZ 4.25Å; L83-F117 HydrophobicContact CG-CE2 3.62Å; L83-F117 HydrophobicContact CG-CZ 3.5Å; F117-F124 HydrophobicContact CD1-CB 3.82Å; F117-F124 HydrophobicContact CE1-CB 4.09Å; F117-F124 HydrophobicContact CE1-CD1 4.29Å; F117-F124 HydrophobicContact CG-CB 4.17Å; F117-T138 HydrophobicContact CE1-CG2 4.08Å; F117-H161 VanDerWaalsContact O-CB 3.3Å; F117-H161 WeakPolarHBondContact O-CB 3.48Å
118	D	94.1	Very high	94.5	Very high	9 Å²	9	29 Å²	29	5%	0.048	15%	0.148	C	C	.	.			trans	-58.5	144.3	158.6	178.1	-30.8	0	0	0	109.1	P76 R120 G121 S123 R135 H180	P76-D118 WeakPolarHBondContact CG-O 3.31Å; D118-R120 PolarHBondContact O-N 3.4Å; D118-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 PolarHBondContact OD1-N 2.99Å; D118-G121 WeakPolarHBondContact O-CA 3.47Å; D118-G121 PolarHBondContact O-N 3.12Å; D118-S123 VanDerWaalsContact CB-O 3.24Å; D118-S123 WeakPolarHBondContact CB-O 3.43Å; D118-S123 PolarHBondContact N-O 3.28Å; D118-S123 PolarHBondContact OD2-OG 2.95Å; D118-R135 IonicContact OD2-NH2 3.75Å; D118-R135 PolarHBondContact OD2-NH2 3.4Å; D118-H180 IonicContact OD2-NE2 3.22Å
119	P	92.1	Very high	94.4	Very high	23 Å²	23	31.2 Å²	31.2	15%	0.149	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-34.1	178.7	20.9	-36.7	0	0	0	114.4	P76 G121 H161 R163	P76-P119 WeakPolarHBondContact CB-O 3.36Å; P76-P119 VanDerWaalsContact CG-O 3.3Å; P76-P119 WeakPolarHBondContact CG-O 3.45Å; P119-G121 VanDerWaalsContact C-N 3.33Å; P119-H161 WeakPolarHBondContact CD-CE1 3.41Å; P119-H161 WeakPolarHBondContact CD-ND1 2.94Å; P119-R163 WeakPolarHBondContact CB-O 3.44Å
120	R	90.5	Very high	94.4	Very high	144 Å²	144	28 Å²	28	54%	0.543	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-17.5	176.2	-58.6	-173.1	-172.5	-175.4	7.3	113	D118 E122 E166	D118-R120 PolarHBondContact O-N 3.4Å; D118-R120 VanDerWaalsContact O-N 3.13Å; D118-R120 PolarHBondContact OD1-N 2.99Å; R120-E122 HydrophobicContact CB-CG 4.25Å; R120-E122 PolarHBondContact O-N 3.34Å; R120-E166 IonicContact NH2-OE1 2.81Å
121	G	91.1	Very high	94.5	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	72.8	6.6	-178.9	0	0	0	0	0	115	H75 D118 P119 S123 T138	H75-G121 PolarHBondContact NE2-O 2.92Å; D118-G121 WeakPolarHBondContact O-CA 3.47Å; D118-G121 PolarHBondContact O-N 3.12Å; P119-G121 VanDerWaalsContact C-N 3.33Å; G121-S123 VanDerWaalsContact C-N 3.31Å; G121-T138 WeakPolarHBondContact O-CB 3.26Å; G121-T138 PolarHBondContact O-OG1 2.94Å
122	E	90.8	Very high	94.5	Very high	139 Å²	139	28.9 Å²	28.9	65%	0.65	14%	0.135	S	C	*	.	S	Bend	trans	-71	-30.2	176.4	-63.9	-173.6	158.7	0	0	112.3	R120 T138	R120-E122 HydrophobicContact CB-CG 4.25Å; R120-E122 PolarHBondContact O-N 3.34Å; E122-T138 WeakPolarHBondContact O-CB 3.27Å; E122-T138 PolarHBondContact O-N 3.23Å; E122-T138 PolarHBondContact O-OG1 3.38Å
123	S	93.5	Very high	94.5	Very high	4 Å²	4	29 Å²	29	3%	0.028	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	164.4	177.6	69.7	0	0	0	0	111.7	D118 G121 R135 W136	D118-S123 VanDerWaalsContact CB-O 3.24Å; D118-S123 WeakPolarHBondContact CB-O 3.43Å; D118-S123 PolarHBondContact N-O 3.28Å; D118-S123 PolarHBondContact OD2-OG 2.95Å; G121-S123 VanDerWaalsContact C-N 3.31Å; S123-R135 PolarHBondContact OG-NE 2.84Å; S123-R135 PolarHBondContact OG-NH2 3.25Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.48Å; S123-W136 WeakPolarHBondContact CB-O 3.25Å
124	F	95.6	Very high	94.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	157.2	171.9	65.6	-88.5	0	0	0	110.5	L83 I91 M93 F105 A116 F117 R135 W136	L83-F124 HydrophobicContact CD1-CB 4.06Å; L83-F124 HydrophobicContact CD1-CD1 3.72Å; L83-F124 HydrophobicContact CD1-CD2 3.57Å; L83-F124 HydrophobicContact CD1-CE1 3.93Å; L83-F124 HydrophobicContact CD1-CE2 3.79Å; L83-F124 HydrophobicContact CD1-CG 3.51Å; L83-F124 HydrophobicContact CD1-CZ 3.94Å; I91-F124 HydrophobicContact CD1-CE2 4.29Å; I91-F124 HydrophobicContact CG2-CE2 4.22Å; I91-F124 HydrophobicContact CG2-CZ 4.4Å; M93-F124 HydrophobicContact SD-CE1 4.15Å; F105-F124 HydrophobicContact CE1-CZ 4.25Å; F105-F124 HydrophobicContact CZ-CE2 4.36Å; F105-F124 AromaticContact CZ-CZ 3.82Å; F105-F124 HydrophobicContact CZ-CZ 3.82Å; A116-F124 CarbonylContact O-C 3.59Å; A116-F124 WeakPolarHBondContact O-CA 3.24Å; A116-F124 WeakPolarHBondContact O-CB 3.05Å; F117-F124 HydrophobicContact CD1-CB 3.82Å; F117-F124 HydrophobicContact CE1-CB 4.09Å; F117-F124 HydrophobicContact CE1-CD1 4.29Å; F117-F124 HydrophobicContact CG-CB 4.17Å; F124-R135 CarbonylContact O-C 3.54Å; F124-R135 WeakPolarHBondContact O-CA 3.31Å; F124-W136 HydrophobicContact CD1-CB 3.97Å; F124-W136 HydrophobicContact CD2-CB 4.13Å; F124-W136 AromaticContact CD2-CD1 3.91Å; F124-W136 HydrophobicContact CD2-CG 4.36Å; F124-W136 HydrophobicContact CE1-CB 3.52Å; F124-W136 HydrophobicContact CE1-CG 4.39Å; F124-W136 HydrophobicContact CE2-CB 3.7Å; F124-W136 AromaticContact CE2-CD1 3.46Å; F124-W136 VanDerWaalsContact CE2-CD1 3.46Å; F124-W136 AromaticContact CE2-CG 3.74Å; F124-W136 HydrophobicContact CE2-CG 3.74Å; F124-W136 HydrophobicContact CG-CB 4.26Å; F124-W136 HydrophobicContact CZ-CB 3.4Å; F124-W136 AromaticContact CZ-CG 3.79Å; F124-W136 HydrophobicContact CZ-CG 3.79Å; F124-W136 PolarHBondContact N-O 2.92Å; F124-W136 PolarHBondContact O-N 2.95Å
125	F	96.1	Very high	94.4	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.7	176.9	-62.8	-88	0	0	0	110.2	M115 A116 I133 K134 R135 I159 H161 F168 H180	M115-F125 VanDerWaalsContact CA-O 3.27Å; M115-F125 WeakPolarHBondContact CA-O 3.49Å; A116-F125 PolarHBondContact N-O 2.48Å; A116-F125 PolarHBondContact O-N 2.81Å; F125-I133 HydrophobicContact CD1-CG2 4.17Å; F125-K134 CarbonylContact C-O 3.54Å; F125-K134 VanDerWaalsContact CA-O 3.29Å; F125-K134 WeakPolarHBondContact CA-O 3.33Å; F125-R135 HydrophobicContact CD1-CB 3.89Å; F125-R135 HydrophobicContact CD1-CG 4.06Å; F125-R135 HydrophobicContact CE1-CB 3.71Å; F125-R135 HydrophobicContact CE1-CG 3.64Å; F125-R135 HydrophobicContact CZ-CB 4.49Å; F125-R135 HydrophobicContact CZ-CG 3.93Å; F125-I159 HydrophobicContact CB-CD1 3.54Å; F125-I159 HydrophobicContact CG-CD1 4.27Å; F125-H161 AromaticContact CE2-CD2 3.91Å; F125-F168 HydrophobicContact CD1-CE1 4.39Å; F125-F168 HydrophobicContact CD1-CZ 4.34Å; F125-F168 HydrophobicContact CE1-CD1 4.39Å; F125-F168 AromaticContact CE1-CE1 3.82Å; F125-F168 HydrophobicContact CE1-CE1 3.82Å; F125-F168 HydrophobicContact CE1-CZ 4.07Å; F125-F168 HydrophobicContact CE2-CD1 4.14Å; F125-F168 HydrophobicContact CE2-CE1 4.35Å; F125-F168 HydrophobicContact CZ-CD1 4.04Å; F125-F168 AromaticContact CZ-CE1 3.79Å; F125-F168 HydrophobicContact CZ-CE1 3.79Å; F125-F168 HydrophobicContact CZ-CZ 4.49Å; F125-H180 AromaticContact CE2-CD2 3.79Å; F125-H180 AromaticContact CE2-NE2 3.38Å; F125-H180 WeakPolarHBondContact CE2-NE2 3.26Å; F125-H180 AromaticContact CZ-CD2 3.42Å; F125-H180 VanDerWaalsContact CZ-CD2 3.42Å; F125-H180 WeakPolarHBondContact CZ-CD2 3.43Å; F125-H180 AromaticContact CZ-NE2 3.53Å
126	S	96.5	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.2	169.9	68.4	0	0	0	0	110.5	H108 K134 W136	H108-S126 WeakPolarHBondContact NE2-CB 3.4Å; H108-S126 PolarHBondContact NE2-OG 3.43Å; S126-K134 PolarHBondContact N-O 2.81Å; S126-K134 PolarHBondContact O-N 3.08Å; S126-W136 PolarHBondContact OG-NE1 3.39Å
127	V	96.5	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.5	-178.6	172.8	0	0	0	0	108.8	R113 G114 I133 L156 I159	R113-V127 PolarHBondContact N-O 3.19Å; G114-V127 PolarHBondContact N-O 3.02Å; G114-V127 PolarHBondContact O-N 3.46Å; V127-I133 HydrophobicContact CG2-CB 4.46Å; V127-I133 HydrophobicContact CG2-CG1 4.09Å; V127-I133 HydrophobicContact CG2-CG2 4.21Å; V127-L156 HydrophobicContact CG1-CB 3.18Å; V127-L156 HydrophobicContact CG1-CD1 3.75Å; V127-L156 HydrophobicContact CG1-CG 4.11Å; V127-L156 HydrophobicContact CG2-CD1 4.37Å; V127-I159 HydrophobicContact CB-CB 4.48Å; V127-I159 HydrophobicContact CB-CG2 4.37Å; V127-I159 HydrophobicContact CG2-CB 3.77Å; V127-I159 HydrophobicContact CG2-CD1 3.72Å; V127-I159 HydrophobicContact CG2-CG1 4.32Å; V127-I159 HydrophobicContact CG2-CG2 3.94Å
128	G	94.1	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-178.2	179.2	0	0	0	0	0	115.1	F111 D130 K131	F111-G128 WeakPolarHBondContact O-CA 3.45Å; G128-D130 PolarHBondContact O-N 3.41Å; G128-K131 PolarHBondContact O-N 2.83Å
129	D	93.2	Very high	92.9	Very high	49 Å²	49	38.2 Å²	38.2	26%	0.262	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.2	-177.6	-73.7	-10.9	0	0	0	113.5	F111 R113 K131	F111-D129 PolarHBondContact O-N 2.86Å; R113-D129 WeakPolarHBondContact CG-OD1 3.15Å; R113-D129 IonicContact CZ-OD1 3.6Å; R113-D129 IonicContact CZ-OD2 2.8Å; R113-D129 IonicContact NE-OD1 3.94Å; R113-D129 PolarHBondContact NE-OD1 2.89Å; R113-D129 IonicContact NE-OD2 3.68Å; R113-D129 IonicContact NH2-OD1 3.93Å; R113-D129 PolarHBondContact NH2-OD1 3.4Å; R113-D129 IonicContact NH2-OD2 3.72Å; R113-D129 PolarHBondContact NH2-OD2 3.15Å; D129-K131 PolarHBondContact O-N 2.84Å
130	D	93.7	Very high	91.6	Very high	41 Å²	41	38.7 Å²	38.7	22%	0.219	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	0.7	173.7	62.5	-7.8	0	0	0	113.6	H108 G128 V132 K134	H108-D130 IonicContact CE1-OD1 2.76Å; H108-D130 IonicContact CG-OD1 2.65Å; H108-D130 IonicContact CG-OD2 3.71Å; H108-D130 IonicContact ND1-OD1 3.8Å; H108-D130 PolarHBondContact ND1-OD1 2.83Å; H108-D130 IonicContact ND1-OD2 2.71Å; H108-D130 PolarHBondContact ND1-OD2 2.72Å; G128-D130 PolarHBondContact O-N 3.41Å; D130-V132 HydrophobicContact CB-CG2 4.49Å; D130-V132 WeakPolarHBondContact O-CG2 3.46Å; D130-V132 PolarHBondContact O-N 3.46Å; D130-V132 PolarHBondContact OD1-N 3.23Å; D130-K134 IonicContact OD2-NZ 3.68Å
131	K	94.5	Very high	89.7	Confident	83 Å²	83	36 Å²	36	36%	0.361	18%	0.179	S	C	.	.	S	Bend	trans	62.8	29.5	178.8	-46.6	176.2	171.3	-168.5	0	113.3	G128 D129 V152 S153 V155	G128-K131 PolarHBondContact O-N 2.83Å; D129-K131 PolarHBondContact O-N 2.84Å; K131-V152 WeakPolarHBondContact CB-O 3.46Å; K131-V152 PolarHBondContact O-N 3Å; K131-S153 WeakPolarHBondContact CD-O 3.19Å; K131-S153 WeakPolarHBondContact CE-O 3.05Å; K131-S153 PolarHBondContact NZ-O 3.44Å; K131-V155 HydrophobicContact CD-CG2 4.47Å; K131-V155 HydrophobicContact CG-CG2 4.02Å
132	V	95.1	Very high	88	Confident	26 Å²	26	46.4 Å²	46.4	16%	0.158	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	136.7	177.4	-169.1	0	0	0	0	109.8	H108 D130 K134 C149 I150	H108-V132 PolarHBondContact CE1-O 2.74Å; H108-V132 VanDerWaalsContact CE1-O 3.3Å; D130-V132 HydrophobicContact CB-CG2 4.49Å; D130-V132 WeakPolarHBondContact O-CG2 3.46Å; D130-V132 PolarHBondContact O-N 3.46Å; D130-V132 PolarHBondContact OD1-N 3.23Å; V132-K134 HydrophobicContact CB-CG 4.38Å; V132-K134 HydrophobicContact CG1-CD 4.49Å; V132-K134 HydrophobicContact CG1-CG 3.72Å; V132-C149 HydrophobicContact CG1-CB 4.05Å; V132-I150 WeakPolarHBondContact CA-O 3.42Å; V132-I150 WeakPolarHBondContact CG1-O 3.38Å
133	I	96.1	Very high	86.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.4	164.2	-52.9	168.6	0	0	0	106.6	F125 V127 C149 I150 V152 L156 I159 F168 T170 W178	F125-I133 HydrophobicContact CD1-CG2 4.17Å; V127-I133 HydrophobicContact CG2-CB 4.46Å; V127-I133 HydrophobicContact CG2-CG1 4.09Å; V127-I133 HydrophobicContact CG2-CG2 4.21Å; I133-C149 WeakPolarHBondContact O-CA 3.39Å; I133-I150 HydrophobicContact CB-CB 4.37Å; I133-I150 PolarHBondContact N-O 3.43Å; I133-I150 PolarHBondContact O-N 3.29Å; I133-V152 HydrophobicContact CD1-CG2 3.88Å; I133-V152 HydrophobicContact CG1-CG2 4.15Å; I133-L156 HydrophobicContact CD1-CD1 3.78Å; I133-L156 HydrophobicContact CG1-CD1 3.44Å; I133-L156 VanDerWaalsContact CG1-CD1 3.44Å; I133-I159 HydrophobicContact CG2-CD1 4.27Å; I133-F168 HydrophobicContact CD1-CE2 4.36Å; I133-F168 HydrophobicContact CG2-CE2 4.23Å; I133-T170 HydrophobicContact CD1-CG2 3.85Å; I133-T170 HydrophobicContact CG1-CG2 4.48Å; I133-W178 HydrophobicContact CD1-CD2 4.3Å; I133-W178 HydrophobicContact CD1-CH2 4.29Å; I133-W178 HydrophobicContact CD1-CZ2 3.83Å
134	K	95.3	Very high	86.1	Confident	39 Å²	39	49.8 Å²	49.8	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.7	179.4	-62.2	-173.3	179.6	179.1	0	110.2	A107 F125 S126 D130 V132 W136 P146	A107-K134 VanDerWaalsContact O-CD 3.3Å; A107-K134 WeakPolarHBondContact O-CD 3.46Å; A107-K134 WeakPolarHBondContact O-CE 3.43Å; A107-K134 PolarHBondContact O-NZ 2.82Å; F125-K134 CarbonylContact C-O 3.54Å; F125-K134 VanDerWaalsContact CA-O 3.29Å; F125-K134 WeakPolarHBondContact CA-O 3.33Å; S126-K134 PolarHBondContact N-O 2.81Å; S126-K134 PolarHBondContact O-N 3.08Å; D130-K134 IonicContact OD2-NZ 3.68Å; V132-K134 HydrophobicContact CB-CG 4.38Å; V132-K134 HydrophobicContact CG1-CD 4.49Å; V132-K134 HydrophobicContact CG1-CG 3.72Å; K134-W136 HydrophobicContact CB-CZ2 3.93Å; K134-W136 HydrophobicContact CD-CH2 4.35Å; K134-W136 HydrophobicContact CD-CZ2 3.58Å; K134-W136 HydrophobicContact CG-CZ2 4.38Å; K134-P146 HydrophobicContact CB-CB 4.31Å
135	R	94.9	Very high	85.6	Confident	56 Å²	56	56.9 Å²	56.9	21%	0.211	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	131.5	172.3	-169.6	-176.6	-178.8	-176.4	2.3	109.5	D118 S123 F124 F125 P146 I147 S148	D118-R135 IonicContact OD2-NH2 3.75Å; D118-R135 PolarHBondContact OD2-NH2 3.4Å; S123-R135 PolarHBondContact OG-NE 2.84Å; S123-R135 PolarHBondContact OG-NH2 3.25Å; F124-R135 CarbonylContact O-C 3.54Å; F124-R135 WeakPolarHBondContact O-CA 3.31Å; F125-R135 HydrophobicContact CD1-CB 3.89Å; F125-R135 HydrophobicContact CD1-CG 4.06Å; F125-R135 HydrophobicContact CE1-CB 3.71Å; F125-R135 HydrophobicContact CE1-CG 3.64Å; F125-R135 HydrophobicContact CZ-CB 4.49Å; F125-R135 HydrophobicContact CZ-CG 3.93Å; R135-P146 CarbonylContact O-C 3.59Å; R135-P146 WeakPolarHBondContact O-CA 3.36Å; R135-P146 WeakPolarHBondContact O-CB 3.41Å; R135-I147 HydrophobicContact CB-CB 4.5Å; R135-I147 HydrophobicContact CG-CD1 4.39Å; R135-I147 PolarHBondContact O-N 3.46Å; R135-S148 VanDerWaalsContact CB-OG 3.29Å; R135-S148 WeakPolarHBondContact CB-OG 3.42Å; R135-S148 PolarHBondContact N-O 2.86Å
136	W	93.7	Very high	85.4	Confident	3 Å²	3	58.6 Å²	58.6	1%	0.011	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.5	-176	-57	95.6	0	0	0	110.7	F105 A107 S123 F124 S126 K134 M140 E144 P146	F105-W136 HydrophobicContact CD2-CE3 4.26Å; F105-W136 AromaticContact CD2-CH2 3.82Å; F105-W136 HydrophobicContact CD2-CH2 3.82Å; F105-W136 HydrophobicContact CD2-CZ2 4.23Å; F105-W136 AromaticContact CD2-CZ3 3.85Å; F105-W136 HydrophobicContact CD2-CZ3 3.85Å; F105-W136 AromaticContact CE2-CD2 3.55Å; F105-W136 HydrophobicContact CE2-CD2 3.55Å; F105-W136 AromaticContact CE2-CE2 3.54Å; F105-W136 AromaticContact CE2-CE3 3.53Å; F105-W136 HydrophobicContact CE2-CE3 3.53Å; F105-W136 HydrophobicContact CE2-CG 4.31Å; F105-W136 AromaticContact CE2-CH2 3.52Å; F105-W136 HydrophobicContact CE2-CH2 3.52Å; F105-W136 AromaticContact CE2-CZ2 3.55Å; F105-W136 HydrophobicContact CE2-CZ2 3.55Å; F105-W136 AromaticContact CE2-CZ3 3.51Å; F105-W136 HydrophobicContact CE2-CZ3 3.51Å; F105-W136 AromaticContact CZ-CD2 3.67Å; F105-W136 HydrophobicContact CZ-CD2 3.67Å; F105-W136 AromaticContact CZ-CE3 3.76Å; F105-W136 HydrophobicContact CZ-CE3 3.76Å; F105-W136 HydrophobicContact CZ-CG 4.02Å; F105-W136 HydrophobicContact CZ-CZ2 4.47Å; F105-W136 HydrophobicContact CZ-CZ3 4.19Å; A107-W136 HydrophobicContact CB-CZ2 3.84Å; S123-W136 CarbonylContact C-O 3.59Å; S123-W136 WeakPolarHBondContact CA-O 3.48Å; S123-W136 WeakPolarHBondContact CB-O 3.25Å; F124-W136 HydrophobicContact CD1-CB 3.97Å; F124-W136 HydrophobicContact CD2-CB 4.13Å; F124-W136 AromaticContact CD2-CD1 3.91Å; F124-W136 HydrophobicContact CD2-CG 4.36Å; F124-W136 HydrophobicContact CE1-CB 3.52Å; F124-W136 HydrophobicContact CE1-CG 4.39Å; F124-W136 HydrophobicContact CE2-CB 3.7Å; F124-W136 AromaticContact CE2-CD1 3.46Å; F124-W136 VanDerWaalsContact CE2-CD1 3.46Å; F124-W136 AromaticContact CE2-CG 3.74Å; F124-W136 HydrophobicContact CE2-CG 3.74Å; F124-W136 HydrophobicContact CG-CB 4.26Å; F124-W136 HydrophobicContact CZ-CB 3.4Å; F124-W136 AromaticContact CZ-CG 3.79Å; F124-W136 HydrophobicContact CZ-CG 3.79Å; F124-W136 PolarHBondContact N-O 2.92Å; F124-W136 PolarHBondContact O-N 2.95Å; S126-W136 PolarHBondContact OG-NE1 3.39Å; K134-W136 HydrophobicContact CB-CZ2 3.93Å; K134-W136 HydrophobicContact CD-CH2 4.35Å; K134-W136 HydrophobicContact CD-CZ2 3.58Å; K134-W136 HydrophobicContact CG-CZ2 4.38Å; W136-M140 HydrophobicContact CE3-CE 3.77Å; W136-M140 HydrophobicContact CZ3-CE 4.2Å; W136-E144 WeakPolarHBondContact CZ3-O 3.02Å; W136-P146 HydrophobicContact CD2-CB 4.05Å; W136-P146 HydrophobicContact CE3-CB 3.84Å; W136-P146 HydrophobicContact CH2-CB 3.85Å; W136-P146 HydrophobicContact CH2-CG 4.05Å; W136-P146 HydrophobicContact CZ2-CB 4.03Å; W136-P146 HydrophobicContact CZ2-CG 4.48Å; W136-P146 HydrophobicContact CZ3-CB 3.74Å; W136-P146 HydrophobicContact CZ3-CG 4.18Å
137	A	91.8	Very high	85.1	Confident	22 Å²	22	63.3 Å²	63.3	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.4	169.7	0	0	0	0	0	109.7	M140 I147	A137-M140 HydrophobicContact CB-SD 3.91Å; A137-M140 VanDerWaalsContact O-CG 3.26Å; A137-M140 WeakPolarHBondContact O-CG 3.48Å; A137-I147 HydrophobicContact CB-CD1 3.91Å; A137-I147 HydrophobicContact CB-CG1 4.3Å
138	T	85.8	Confident	84.9	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.049	33%	0.328	C	S	.	.	S	Bend	trans	-70.8	-37.5	175	-53.8	0	0	0	0	111.1	F117 G121 E122 M140	F117-T138 HydrophobicContact CE1-CG2 4.08Å; G121-T138 WeakPolarHBondContact O-CB 3.26Å; G121-T138 PolarHBondContact O-OG1 2.94Å; E122-T138 WeakPolarHBondContact O-CB 3.27Å; E122-T138 PolarHBondContact O-N 3.23Å; E122-T138 PolarHBondContact O-OG1 3.38Å; T138-M140 PolarHBondContact O-N 3.23Å
139	K	79.1	Confident	84.9	Confident	157 Å²	157	68.8 Å²	68.8	68%	0.683	35%	0.352	S	S	*	.	S	Bend	trans	-92.6	77	171.2	-67.4	178.3	-176.3	169.2	0	108.2	P141	K139-P141 VanDerWaalsContact O-CD 3.32Å; K139-P141 WeakPolarHBondContact O-CD 3.13Å
140	M	65	Low	84.9	Confident	34 Å²	34	67.4 Å²	67.4	17%	0.167	34%	0.344	C	S	.	.			trans	-61.7	125.9	177	-64.8	-64.6	-91.7	0	0	109.3	M93 W136 A137 T138	M93-M140 HydrophobicContact CE-CG 3.94Å; W136-M140 HydrophobicContact CE3-CE 3.77Å; W136-M140 HydrophobicContact CZ3-CE 4.2Å; A137-M140 HydrophobicContact CB-SD 3.91Å; A137-M140 VanDerWaalsContact O-CG 3.26Å; A137-M140 WeakPolarHBondContact O-CG 3.48Å; T138-M140 PolarHBondContact O-N 3.23Å
141	P	50.5	Low	84.9	Confident	87 Å²	87	70.5 Å²	70.5	57%	0.565	37%	0.369	S	S	*	.			trans	-63.8	172	153.5	29.8	-29.7	0	0	0	108.4	K139 T143	K139-P141 VanDerWaalsContact O-CD 3.32Å; K139-P141 WeakPolarHBondContact O-CD 3.13Å; P141-T143 PolarHBondContact O-N 3.4Å
142	K	56.8	Low	84.9	Confident	220 Å²	220	68 Å²	68	96%	0.957	36%	0.36	S	S	*	.	S	Bend	trans	-56.1	-4.2	-170.9	-71.3	178	175.4	178.4	0	116.6
143	T	64.4	Low	84.6	Confident	82 Å²	82	71.1 Å²	71.1	50%	0.503	38%	0.383	S	S	.	.			trans	-101.8	134.3	-175.6	48.9	0	0	0	0	111.5	P141 E145	P141-T143 PolarHBondContact O-N 3.4Å; T143-E145 PolarHBondContact O-N 3.39Å; T143-E145 VanDerWaalsContact O-N 3.17Å
144	E	79.1	Confident	84.3	Confident	133 Å²	133	74.3 Å²	74.3	62%	0.621	40%	0.4	S	S	*	.			trans	-83.7	26.6	-176	-61.8	178.7	-177.5	0	0	113.3	F105 W136	F105-E144 HydrophobicContact CB-CB 4.39Å; F105-E144 HydrophobicContact CB-CG 4.23Å; W136-E144 WeakPolarHBondContact CZ3-O 3.02Å
145	E	86.1	Confident	84.2	Confident	148 Å²	148	75.1 Å²	75.1	69%	0.692	41%	0.408	S	S	*	.			trans	-94.2	137.8	-174.3	-67.2	-178.9	173.3	0	0	111.8	T143	T143-E145 PolarHBondContact O-N 3.39Å; T143-E145 VanDerWaalsContact O-N 3.17Å
146	P	90.4	Very high	84.2	Confident	41 Å²	41	72.7 Å²	72.7	27%	0.266	40%	0.4	S	S	.	.			trans	-71.4	147.3	173.6	28.6	-32.5	0	0	0	111	K134 R135 W136 C149	K134-P146 HydrophobicContact CB-CB 4.31Å; R135-P146 CarbonylContact O-C 3.59Å; R135-P146 WeakPolarHBondContact O-CA 3.36Å; R135-P146 WeakPolarHBondContact O-CB 3.41Å; W136-P146 HydrophobicContact CD2-CB 4.05Å; W136-P146 HydrophobicContact CE3-CB 3.84Å; W136-P146 HydrophobicContact CH2-CB 3.85Å; W136-P146 HydrophobicContact CH2-CG 4.05Å; W136-P146 HydrophobicContact CZ2-CB 4.03Å; W136-P146 HydrophobicContact CZ2-CG 4.48Å; W136-P146 HydrophobicContact CZ3-CB 3.74Å; W136-P146 HydrophobicContact CZ3-CG 4.18Å; P146-C149 WeakPolarHBondContact CG-SG 3.3Å
147	I	90.8	Very high	84.3	Confident	98 Å²	98	75.4 Å²	75.4	50%	0.503	41%	0.413	S	S	.	.	S	Bend	trans	-63	-45.1	175.6	-58.1	172.2	0	0	0	110.4	R135 A137	R135-I147 HydrophobicContact CB-CB 4.5Å; R135-I147 HydrophobicContact CG-CD1 4.39Å; R135-I147 PolarHBondContact O-N 3.46Å; A137-I147 HydrophobicContact CB-CD1 3.91Å; A137-I147 HydrophobicContact CB-CG1 4.3Å
148	S	92	Very high	84.5	Confident	44 Å²	44	74.4 Å²	74.4	31%	0.308	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	149.3	178.1	64.1	0	0	0	0	110.6	R135	R135-S148 VanDerWaalsContact CB-OG 3.29Å; R135-S148 WeakPolarHBondContact CB-OG 3.42Å; R135-S148 PolarHBondContact N-O 2.86Å
149	C	93.8	Very high	85.1	Confident	72 Å²	72	74 Å²	74	49%	0.486	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	129.7	175	-69.2	0	0	0	0	108.7	V132 I133 P146	V132-C149 HydrophobicContact CG1-CB 4.05Å; I133-C149 WeakPolarHBondContact O-CA 3.39Å; P146-C149 WeakPolarHBondContact CG-SG 3.3Å
150	I	94.8	Very high	85.9	Confident	20 Å²	20	66.8 Å²	66.8	10%	0.103	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119	175.1	-57.6	168.6	0	0	0	107.1	V132 I133 W178 A183	V132-I150 WeakPolarHBondContact CA-O 3.42Å; V132-I150 WeakPolarHBondContact CG1-O 3.38Å; I133-I150 HydrophobicContact CB-CB 4.37Å; I133-I150 PolarHBondContact N-O 3.43Å; I133-I150 PolarHBondContact O-N 3.29Å; I150-W178 HydrophobicContact CG2-CH2 4.15Å; I150-W178 HydrophobicContact CG2-CZ3 3.83Å; I150-A183 VanDerWaalsContact CG2-O 3.28Å; I150-A183 WeakPolarHBondContact CG2-O 3.27Å
151	S	93.1	Very high	87.4	Confident	106 Å²	106	66.2 Å²	66.2	74%	0.741	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.1	173.7	49.1	0	0	0	0	110.6
152	V	93.1	Very high	89.5	Confident	30 Å²	30	62.2 Å²	62.2	18%	0.182	34%	0.343	C	S	.	.			trans	-120.6	153	179.5	-174.1	0	0	0	0	109.1	K131 I133 L156 W178	K131-V152 WeakPolarHBondContact CB-O 3.46Å; K131-V152 PolarHBondContact O-N 3Å; I133-V152 HydrophobicContact CD1-CG2 3.88Å; I133-V152 HydrophobicContact CG1-CG2 4.15Å; V152-L156 HydrophobicContact CB-CD1 4.45Å; V152-L156 HydrophobicContact CG1-CD2 4.39Å; V152-L156 HydrophobicContact CG2-CD1 4.14Å; V152-W178 HydrophobicContact CG2-CH2 3.9Å; V152-W178 HydrophobicContact CG2-CZ2 3.98Å
153	S	89.8	Confident	91.2	Very high	91 Å²	91	57.2 Å²	57.2	64%	0.636	32%	0.318	S	S	*	.	S	Bend	trans	-70.6	-36.1	-179.6	52.8	0	0	0	0	113.3	K131	K131-S153 WeakPolarHBondContact CD-O 3.19Å; K131-S153 WeakPolarHBondContact CE-O 3.05Å; K131-S153 PolarHBondContact NZ-O 3.44Å
154	D	90.5	Very high	92.4	Very high	69 Å²	69	57.4 Å²	57.4	37%	0.369	32%	0.319	S	S	.	.	S	Bend	trans	-106.9	156.5	-172.5	-65.9	-24.8	0	0	0	112.2	L156 S173	D154-L156 PolarHBondContact O-N 3.28Å; D154-S173 WeakPolarHBondContact OD2-CB 3.4Å; D154-S173 PolarHBondContact OD2-OG 3.47Å
155	V	92.8	Very high	93	Very high	56 Å²	56	53.7 Å²	53.7	34%	0.339	30%	0.303	S	S	.	.			trans	-72	127.5	173.9	-178.7	0	0	0	0	108.8	K131 G172	K131-V155 HydrophobicContact CD-CG2 4.47Å; K131-V155 HydrophobicContact CG-CG2 4.02Å; V155-G172 WeakPolarHBondContact O-CA 3.23Å
156	L	94.8	Very high	93.3	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	29%	0.293	C	S	.	.			trans	-96.5	134.9	179.4	-61.9	175.7	0	0	0	109.9	R113 V127 I133 V152 D154 T170 C171	R113-L156 WeakPolarHBondContact CG-O 3.24Å; V127-L156 HydrophobicContact CG1-CB 3.18Å; V127-L156 HydrophobicContact CG1-CD1 3.75Å; V127-L156 HydrophobicContact CG1-CG 4.11Å; V127-L156 HydrophobicContact CG2-CD1 4.37Å; I133-L156 HydrophobicContact CD1-CD1 3.78Å; I133-L156 HydrophobicContact CG1-CD1 3.44Å; I133-L156 VanDerWaalsContact CG1-CD1 3.44Å; V152-L156 HydrophobicContact CB-CD1 4.45Å; V152-L156 HydrophobicContact CG1-CD2 4.39Å; V152-L156 HydrophobicContact CG2-CD1 4.14Å; D154-L156 PolarHBondContact O-N 3.28Å; L156-T170 HydrophobicContact CD1-CG2 4.29Å; L156-C171 CarbonylContact C-O 3.56Å; L156-C171 WeakPolarHBondContact CA-O 3.35Å
157	M	95.6	Very high	93.5	Very high	59 Å²	59	51.4 Å²	51.4	29%	0.291	29%	0.29	S	S	.	.			trans	-100.5	-25.5	-172.4	-62.6	-59.4	-64.4	0	0	113.8	R113 C171 H197	R113-M157 WeakPolarHBondContact CB-O 3.29Å; M157-C171 PolarHBondContact N-O 2.95Å; M157-H197 HydrophobicContact CB-CB 4.39Å; M157-H197 HydrophobicContact CE-CB 4.47Å
158	D	96.9	Very high	93.7	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	165.4	176.6	-158.1	9.3	0	0	0	110.7	T170 C171 K198 I199 R200	D158-T170 WeakPolarHBondContact O-CA 3.34Å; D158-C171 PolarHBondContact O-N 3.26Å; D158-C171 VanDerWaalsContact O-N 3.16Å; D158-K198 WeakPolarHBondContact OD2-CD 3.09Å; D158-K198 WeakPolarHBondContact OD2-CE 3.42Å; D158-K198 WeakPolarHBondContact OD2-CG 3.31Å; D158-K198 IonicContact OD2-NZ 2.82Å; D158-I199 PolarHBondContact OD2-N 2.75Å; D158-R200 IonicContact OD1-NH1 2.74Å; D158-R200 PolarHBondContact OD1-NH1 3.22Å; D158-R200 IonicContact OD2-CZ 3.54Å; D158-R200 IonicContact OD2-NH1 3.41Å; D158-R200 PolarHBondContact OD2-NH1 2.82Å
159	I	96.8	Very high	93.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.7	173.6	-173.6	165.5	0	0	0	109.5	G114 A116 F125 V127 I133 F168 A169 T170	G114-I159 VanDerWaalsContact C-CG2 3.42Å; A116-I159 HydrophobicContact CB-CG2 4.27Å; F125-I159 HydrophobicContact CB-CD1 3.54Å; F125-I159 HydrophobicContact CG-CD1 4.27Å; V127-I159 HydrophobicContact CB-CB 4.48Å; V127-I159 HydrophobicContact CB-CG2 4.37Å; V127-I159 HydrophobicContact CG2-CB 3.77Å; V127-I159 HydrophobicContact CG2-CD1 3.72Å; V127-I159 HydrophobicContact CG2-CG1 4.32Å; V127-I159 HydrophobicContact CG2-CG2 3.94Å; I133-I159 HydrophobicContact CG2-CD1 4.27Å; I159-F168 HydrophobicContact CD1-CD2 3.68Å; I159-F168 HydrophobicContact CD1-CE2 4.08Å; I159-F168 HydrophobicContact CD1-CG 4.46Å; I159-F168 HydrophobicContact CG1-CD2 4.14Å; I159-A169 WeakPolarHBondContact CA-O 3.48Å; I159-T170 HydrophobicContact CB-CG2 4.33Å; I159-T170 HydrophobicContact CD1-CG2 3.99Å; I159-T170 HydrophobicContact CG1-CG2 3.98Å
160	A	96.8	Very high	94	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.7	172.1	0	0	0	0	0	110.2	F168 A169 I199 F201	A160-F168 CarbonylContact O-C 3.56Å; A160-F168 WeakPolarHBondContact O-CA 3.43Å; A160-F168 WeakPolarHBondContact O-CB 3.33Å; A160-A169 PolarHBondContact N-O 2.95Å; A160-A169 PolarHBondContact O-N 2.95Å; A160-I199 HydrophobicContact CB-CB 4.45Å; A160-I199 HydrophobicContact CB-CG2 3.73Å; A160-F201 HydrophobicContact CB-CD2 3.69Å; A160-F201 HydrophobicContact CB-CE2 4.24Å; A160-F201 VanDerWaalsContact O-CE2 3.32Å; A160-F201 WeakPolarHBondContact O-CE2 3.45Å
161	H	96.3	Very high	94	Very high	22 Å²	22	40.3 Å²	40.3	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.2	-178.5	-159.7	-59.7	0	0	0	110.6	A116 F117 P119 F125 N165 I167 F168 H180 F201	A116-H161 HydrophobicContact CB-CB 3.87Å; F117-H161 VanDerWaalsContact O-CB 3.3Å; F117-H161 WeakPolarHBondContact O-CB 3.48Å; P119-H161 WeakPolarHBondContact CD-CE1 3.41Å; P119-H161 WeakPolarHBondContact CD-ND1 2.94Å; F125-H161 AromaticContact CE2-CD2 3.91Å; H161-N165 PolarHBondContact CE1-O 3.26Å; H161-N165 VanDerWaalsContact CE1-O 3.31Å; H161-I167 PolarHBondContact CE1-O 3.05Å; H161-I167 PolarHBondContact ND1-O 3.43Å; H161-F168 HydrophobicContact CB-CB 4.39Å; H161-H180 AromaticContact CE1-CE1 3.62Å; H161-H180 AromaticContact NE2-CE1 2.99Å; H161-H180 PolarHBondContact NE2-CE1 2.99Å; H161-H180 AromaticContact NE2-NE2 3.26Å; H161-H180 PolarHBondContact NE2-NE2 3.3Å; H161-F201 VanDerWaalsContact C-CD2 3.41Å
162	S	95.6	Very high	94	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	19%	0.19	C	C	.	.			trans	-65.3	146.2	169.7	-177.4	0	0	0	0	111	T164 I167 P206	S162-T164 VanDerWaalsContact C-N 3.34Å; S162-T164 PolarHBondContact O-N 2.88Å; S162-I167 VanDerWaalsContact CB-O 3.32Å; S162-I167 WeakPolarHBondContact CB-O 3.43Å; S162-I167 PolarHBondContact N-O 3.15Å; S162-P206 VanDerWaalsContact OG-CB 3.31Å; S162-P206 WeakPolarHBondContact OG-CB 3.39Å; S162-P206 PolarHBondContact OG-O 3.27Å
163	R	90.7	Very high	93.9	Very high	115 Å²	115	36.3 Å²	36.3	43%	0.434	20%	0.198	S	C	.	.	S	Bend	trans	-77	-20.2	-175.7	-172	58.1	-175.6	-160.7	5.5	113.8	P76 P119	P76-R163 VanDerWaalsContact CB-CZ 3.48Å; P76-R163 PolarHBondContact O-NH2 2.88Å; P119-R163 WeakPolarHBondContact CB-O 3.44Å
164	T	91.5	Very high	94	Very high	86 Å²	86	32.9 Å²	32.9	53%	0.528	17%	0.174	S	C	.	.	S	Bend	trans	-123.3	-43.2	-176.1	56.9	0	0	0	0	112.1	S162 P206	S162-T164 VanDerWaalsContact C-N 3.34Å; S162-T164 PolarHBondContact O-N 2.88Å; T164-P206 HydrophobicContact CG2-CB 4.33Å; T164-P206 HydrophobicContact CG2-CG 4.29Å; T164-P206 WeakPolarHBondContact OG1-CB 3.3Å; T164-P206 WeakPolarHBondContact OG1-CG 3.19Å
165	N	91.1	Very high	94.2	Very high	55 Å²	55	29.6 Å²	29.6	29%	0.294	16%	0.157	S	C	.	.	S	Bend	trans	-84.1	150.5	-172.6	-58.8	-11.3	0	0	0	109.6	H161 I167 D207	H161-N165 PolarHBondContact CE1-O 3.26Å; H161-N165 VanDerWaalsContact CE1-O 3.31Å; N165-I167 HydrophobicContact CB-CB 4.35Å; N165-I167 HydrophobicContact CB-CD1 4.16Å; N165-I167 HydrophobicContact CB-CG1 4.18Å; N165-I167 PolarHBondContact O-N 3.06Å; N165-D207 PolarHBondContact ND2-OD1 2.73Å
166	E	92.1	Very high	94.3	Very high	99 Å²	99	27.5 Å²	27.5	46%	0.463	14%	0.144	S	C	.	.	S	Bend	trans	-78.3	45.7	175	-66.4	-175.5	-175.1	0	0	111.3	R120 H180	R120-E166 IonicContact NH2-OE1 2.81Å; E166-H180 VanDerWaalsContact C-CE1 3.44Å; E166-H180 PolarHBondContact O-CE1 3.38Å; E166-H180 PolarHBondContact O-ND1 3.41Å
167	I	94.2	Very high	94.3	Very high	42 Å²	42	27.3 Å²	27.3	22%	0.215	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.8	-176.1	-60.7	173.5	0	0	0	108.7	H161 S162 N165 V177 W178	H161-I167 PolarHBondContact CE1-O 3.05Å; H161-I167 PolarHBondContact ND1-O 3.43Å; S162-I167 VanDerWaalsContact CB-O 3.32Å; S162-I167 WeakPolarHBondContact CB-O 3.43Å; S162-I167 PolarHBondContact N-O 3.15Å; N165-I167 HydrophobicContact CB-CB 4.35Å; N165-I167 HydrophobicContact CB-CD1 4.16Å; N165-I167 HydrophobicContact CB-CG1 4.18Å; N165-I167 PolarHBondContact O-N 3.06Å; I167-V177 HydrophobicContact CG2-CG1 3.28Å; I167-W178 VanDerWaalsContact CA-O 3.29Å; I167-W178 WeakPolarHBondContact CA-O 3.33Å; I167-W178 WeakPolarHBondContact CG2-O 3.08Å
168	F	96	Very high	94.3	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.4	170.5	63	-88.4	0	0	0	110.3	F125 I133 I159 A160 H161 T170 W178	F125-F168 HydrophobicContact CD1-CE1 4.39Å; F125-F168 HydrophobicContact CD1-CZ 4.34Å; F125-F168 HydrophobicContact CE1-CD1 4.39Å; F125-F168 AromaticContact CE1-CE1 3.82Å; F125-F168 HydrophobicContact CE1-CE1 3.82Å; F125-F168 HydrophobicContact CE1-CZ 4.07Å; F125-F168 HydrophobicContact CE2-CD1 4.14Å; F125-F168 HydrophobicContact CE2-CE1 4.35Å; F125-F168 HydrophobicContact CZ-CD1 4.04Å; F125-F168 AromaticContact CZ-CE1 3.79Å; F125-F168 HydrophobicContact CZ-CE1 3.79Å; F125-F168 HydrophobicContact CZ-CZ 4.49Å; I133-F168 HydrophobicContact CD1-CE2 4.36Å; I133-F168 HydrophobicContact CG2-CE2 4.23Å; I159-F168 HydrophobicContact CD1-CD2 3.68Å; I159-F168 HydrophobicContact CD1-CE2 4.08Å; I159-F168 HydrophobicContact CD1-CG 4.46Å; I159-F168 HydrophobicContact CG1-CD2 4.14Å; A160-F168 CarbonylContact O-C 3.56Å; A160-F168 WeakPolarHBondContact O-CA 3.43Å; A160-F168 WeakPolarHBondContact O-CB 3.33Å; H161-F168 HydrophobicContact CB-CB 4.39Å; F168-T170 HydrophobicContact CD2-CG2 4.2Å; F168-T170 HydrophobicContact CE2-CG2 4.24Å; F168-W178 HydrophobicContact CD1-CB 4.09Å; F168-W178 HydrophobicContact CD2-CB 3.8Å; F168-W178 AromaticContact CD2-CD1 3.95Å; F168-W178 HydrophobicContact CD2-CG 4.08Å; F168-W178 HydrophobicContact CE1-CB 3.66Å; F168-W178 HydrophobicContact CE2-CB 3.35Å; F168-W178 AromaticContact CE2-CD1 3.64Å; F168-W178 HydrophobicContact CE2-CD2 4.27Å; F168-W178 AromaticContact CE2-CG 3.48Å; F168-W178 HydrophobicContact CE2-CG 3.48Å; F168-W178 VanDerWaalsContact CE2-CG 3.48Å; F168-W178 HydrophobicContact CG-CB 4.16Å; F168-W178 HydrophobicContact CZ-CB 3.26Å; F168-W178 HydrophobicContact CZ-CD2 4.45Å; F168-W178 AromaticContact CZ-CG 3.79Å; F168-W178 HydrophobicContact CZ-CG 3.79Å; F168-W178 PolarHBondContact N-O 2.69Å; F168-W178 VanDerWaalsContact N-O 3.08Å; F168-W178 PolarHBondContact O-N 2.95Å
169	A	96.1	Very high	94.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	140.8	178.3	0	0	0	0	0	109.7	I159 A160 C176 I199 F201	I159-A169 WeakPolarHBondContact CA-O 3.48Å; A160-A169 PolarHBondContact N-O 2.95Å; A160-A169 PolarHBondContact O-N 2.95Å; A169-C176 CarbonylContact C-O 3.57Å; A169-C176 VanDerWaalsContact CA-O 3.25Å; A169-C176 WeakPolarHBondContact CA-O 3.1Å; A169-I199 HydrophobicContact CB-CD1 4.42Å; A169-I199 HydrophobicContact CB-CG2 4.32Å; A169-F201 HydrophobicContact CB-CE2 3.61Å; A169-F201 HydrophobicContact CB-CZ 3.84Å
170	T	96.2	Very high	93.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.1	174.1	60.7	0	0	0	0	109.2	I133 L156 D158 I159 F168 V175 C176 W178	I133-T170 HydrophobicContact CD1-CG2 3.85Å; I133-T170 HydrophobicContact CG1-CG2 4.48Å; L156-T170 HydrophobicContact CD1-CG2 4.29Å; D158-T170 WeakPolarHBondContact O-CA 3.34Å; I159-T170 HydrophobicContact CB-CG2 4.33Å; I159-T170 HydrophobicContact CD1-CG2 3.99Å; I159-T170 HydrophobicContact CG1-CG2 3.98Å; F168-T170 HydrophobicContact CD2-CG2 4.2Å; F168-T170 HydrophobicContact CE2-CG2 4.24Å; T170-V175 WeakPolarHBondContact O-CA 3.5Å; T170-C176 PolarHBondContact N-O 3.4Å; T170-C176 PolarHBondContact O-N 2.9Å; T170-W178 PolarHBondContact OG1-NE1 3.26Å
171	C	94.8	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.3	171.8	29.9	0	0	0	0	111.8	L156 M157 D158 S174 V175 V196 I199	L156-C171 CarbonylContact C-O 3.56Å; L156-C171 WeakPolarHBondContact CA-O 3.35Å; M157-C171 PolarHBondContact N-O 2.95Å; D158-C171 PolarHBondContact O-N 3.26Å; D158-C171 VanDerWaalsContact O-N 3.16Å; C171-S174 WeakPolarHBondContact CA-O 3.26Å; C171-V175 HydrophobicContact CB-CG2 4.4Å; C171-V196 HydrophobicContact CB-CB 3.71Å; C171-V196 HydrophobicContact CB-CG1 3.44Å; C171-V196 VanDerWaalsContact CB-CG1 3.44Å; C171-I199 HydrophobicContact CB-CD1 3.39Å; C171-I199 HydrophobicContact CB-CG1 3.88Å; C171-I199 WeakPolarHBondContact SG-CD1 3.27Å; C171-I199 WeakPolarHBondContact SG-CG1 3.27Å
172	G	92.6	Very high	93.3	Very high	4 Å²	4	38.6 Å²	38.6	4%	0.041	20%	0.199	C	C	.	.	S	Bend	trans	-159.2	-109	171	0	0	0	0	0	109.7	V155 S174 S195 V196	V155-G172 WeakPolarHBondContact O-CA 3.23Å; G172-S174 PolarHBondContact N-O 2.97Å; G172-S195 WeakPolarHBondContact O-CA 3.48Å; G172-V196 PolarHBondContact O-N 2.86Å
173	S	91.2	Very high	93	Very high	48 Å²	48	41.9 Å²	41.9	34%	0.336	23%	0.226	S	C	.	.	S	Bend	trans	-62.1	-50.5	164.2	46.7	0	0	0	0	110.9	D154	D154-S173 WeakPolarHBondContact OD2-CB 3.4Å; D154-S173 PolarHBondContact OD2-OG 3.47Å
174	S	91.7	Very high	93.1	Very high	20 Å²	20	40.9 Å²	40.9	14%	0.14	23%	0.233	C	C	.	.	S	Bend	trans	-118.4	169.1	178.7	53.5	0	0	0	0	111.5	C171 G172 D190	C171-S174 WeakPolarHBondContact CA-O 3.26Å; G172-S174 PolarHBondContact N-O 2.97Å; S174-D190 WeakPolarHBondContact CA-OD1 3.18Å; S174-D190 WeakPolarHBondContact CB-OD1 3.48Å
175	V	94.2	Very high	93.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	168.7	176.1	0	0	0	0	108.9	T170 C171 L189 V196 I199 F209 A211 Y221	T170-V175 WeakPolarHBondContact O-CA 3.5Å; C171-V175 HydrophobicContact CB-CG2 4.4Å; V175-L189 HydrophobicContact CB-CB 4.28Å; V175-L189 HydrophobicContact CG1-CD1 4.45Å; V175-L189 PolarHBondContact N-O 3.23Å; V175-L189 PolarHBondContact O-N 3.18Å; V175-V196 HydrophobicContact CG2-CB 4.18Å; V175-V196 HydrophobicContact CG2-CG1 4.01Å; V175-V196 HydrophobicContact CG2-CG2 3.92Å; V175-I199 HydrophobicContact CB-CD1 4.38Å; V175-I199 HydrophobicContact CG1-CD1 3.67Å; V175-I199 HydrophobicContact CG2-CD1 3.99Å; V175-F209 HydrophobicContact CG1-CE2 3.73Å; V175-F209 HydrophobicContact CG1-CZ 3.96Å; V175-A211 HydrophobicContact CG2-CB 4.41Å; V175-Y221 HydrophobicContact CG2-CE2 4.09Å
176	C	94.2	Very high	93.3	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	135.6	178.7	-60.3	0	0	0	0	110.4	A169 T170 W178 P185 R187 T188	A169-C176 CarbonylContact C-O 3.57Å; A169-C176 VanDerWaalsContact CA-O 3.25Å; A169-C176 WeakPolarHBondContact CA-O 3.1Å; T170-C176 PolarHBondContact N-O 3.4Å; T170-C176 PolarHBondContact O-N 2.9Å; C176-W178 HydrophobicContact CB-CZ2 4.2Å; C176-P185 HydrophobicContact CB-CB 4.03Å; C176-R187 CarbonylContact C-O 3.48Å; C176-R187 WeakPolarHBondContact CA-O 3.42Å; C176-T188 WeakPolarHBondContact SG-CG2 3.06Å
177	V	94.9	Very high	93.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.3	173.7	-178.7	0	0	0	0	108.8	I167 P185 V186 R187 L189 F209	I167-V177 HydrophobicContact CG2-CG1 3.28Å; V177-P185 CarbonylContact O-C 3.5Å; V177-V186 WeakPolarHBondContact O-CB 3.37Å; V177-V186 PolarHBondContact O-N 3.48Å; V177-R187 HydrophobicContact CB-CB 4.32Å; V177-R187 PolarHBondContact N-O 2.98Å; V177-R187 PolarHBondContact O-N 2.8Å; V177-L189 HydrophobicContact CG2-CD1 3.82Å; V177-F209 HydrophobicContact CG2-CE1 4.36Å; V177-F209 HydrophobicContact CG2-CZ 4.26Å
178	W	95.3	Very high	93.1	Very high	7 Å²	7	40.2 Å²	40.2	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.3	-172.2	-57.4	84.1	0	0	0	111.1	I133 I150 V152 I167 F168 T170 C176 A183 T184 P185	I133-W178 HydrophobicContact CD1-CD2 4.3Å; I133-W178 HydrophobicContact CD1-CH2 4.29Å; I133-W178 HydrophobicContact CD1-CZ2 3.83Å; I150-W178 HydrophobicContact CG2-CH2 4.15Å; I150-W178 HydrophobicContact CG2-CZ3 3.83Å; V152-W178 HydrophobicContact CG2-CH2 3.9Å; V152-W178 HydrophobicContact CG2-CZ2 3.98Å; I167-W178 VanDerWaalsContact CA-O 3.29Å; I167-W178 WeakPolarHBondContact CA-O 3.33Å; I167-W178 WeakPolarHBondContact CG2-O 3.08Å; F168-W178 HydrophobicContact CD1-CB 4.09Å; F168-W178 HydrophobicContact CD2-CB 3.8Å; F168-W178 AromaticContact CD2-CD1 3.95Å; F168-W178 HydrophobicContact CD2-CG 4.08Å; F168-W178 HydrophobicContact CE1-CB 3.66Å; F168-W178 HydrophobicContact CE2-CB 3.35Å; F168-W178 AromaticContact CE2-CD1 3.64Å; F168-W178 HydrophobicContact CE2-CD2 4.27Å; F168-W178 AromaticContact CE2-CG 3.48Å; F168-W178 HydrophobicContact CE2-CG 3.48Å; F168-W178 VanDerWaalsContact CE2-CG 3.48Å; F168-W178 HydrophobicContact CG-CB 4.16Å; F168-W178 HydrophobicContact CZ-CB 3.26Å; F168-W178 HydrophobicContact CZ-CD2 4.45Å; F168-W178 AromaticContact CZ-CG 3.79Å; F168-W178 HydrophobicContact CZ-CG 3.79Å; F168-W178 PolarHBondContact N-O 2.69Å; F168-W178 VanDerWaalsContact N-O 3.08Å; F168-W178 PolarHBondContact O-N 2.95Å; T170-W178 PolarHBondContact OG1-NE1 3.26Å; C176-W178 HydrophobicContact CB-CZ2 4.2Å; W178-A183 WeakPolarHBondContact CZ3-O 3.44Å; W178-T184 VanDerWaalsContact CZ3-C 3.46Å; W178-P185 HydrophobicContact CD2-CB 4.09Å; W178-P185 HydrophobicContact CE3-CB 4.18Å; W178-P185 HydrophobicContact CH2-CB 4.05Å; W178-P185 HydrophobicContact CH2-CG 4.15Å; W178-P185 HydrophobicContact CZ2-CB 3.96Å; W178-P185 HydrophobicContact CZ2-CG 4.36Å; W178-P185 HydrophobicContact CZ3-CB 4.16Å; W178-P185 HydrophobicContact CZ3-CG 4.44Å; W178-P185 VanDerWaalsContact CZ3-N 3.3Å
179	E	93.7	Very high	92.9	Very high	66 Å²	66	40.5 Å²	40.5	31%	0.308	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.7	172.1	-172	177.5	-159.5	0	0	108.2	S181 R182 V186	E179-S181 PolarHBondContact O-N 3.15Å; E179-R182 HydrophobicContact CB-CG 4.37Å; E179-R182 PolarHBondContact O-N 3.43Å; E179-R182 IonicContact OE2-CZ 3.48Å; E179-R182 IonicContact OE2-NE 3.01Å; E179-R182 PolarHBondContact OE2-NE 3.27Å; E179-R182 IonicContact OE2-NH2 3.53Å; E179-V186 HydrophobicContact CB-CG2 3.86Å
180	H	91.1	Very high	92.3	Very high	30 Å²	30	45.3 Å²	45.3	14%	0.139	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.2	-174.6	-68.8	65.9	0	0	0	113.9	D118 F125 H161 E166	D118-H180 IonicContact OD2-NE2 3.22Å; F125-H180 AromaticContact CE2-CD2 3.79Å; F125-H180 AromaticContact CE2-NE2 3.38Å; F125-H180 WeakPolarHBondContact CE2-NE2 3.26Å; F125-H180 AromaticContact CZ-CD2 3.42Å; F125-H180 VanDerWaalsContact CZ-CD2 3.42Å; F125-H180 WeakPolarHBondContact CZ-CD2 3.43Å; F125-H180 AromaticContact CZ-NE2 3.53Å; H161-H180 AromaticContact CE1-CE1 3.62Å; H161-H180 AromaticContact NE2-CE1 2.99Å; H161-H180 PolarHBondContact NE2-CE1 2.99Å; H161-H180 AromaticContact NE2-NE2 3.26Å; H161-H180 PolarHBondContact NE2-NE2 3.3Å; E166-H180 VanDerWaalsContact C-CE1 3.44Å; E166-H180 PolarHBondContact O-CE1 3.38Å; E166-H180 PolarHBondContact O-ND1 3.41Å
181	S	89.9	Confident	91.6	Very high	96 Å²	96	48.3 Å²	48.3	67%	0.671	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-18.1	-175.9	55.9	0	0	0	0	113.1	E179	E179-S181 PolarHBondContact O-N 3.15Å
182	R	91.9	Very high	91	Very high	125 Å²	125	52 Å²	52	47%	0.472	31%	0.31	S	S	.	.			trans	-108.1	137.1	-171	-57.1	-171.3	-165.6	-150.6	-4.5	111.5	E179 T184	E179-R182 HydrophobicContact CB-CG 4.37Å; E179-R182 PolarHBondContact O-N 3.43Å; E179-R182 IonicContact OE2-CZ 3.48Å; E179-R182 IonicContact OE2-NE 3.01Å; E179-R182 PolarHBondContact OE2-NE 3.27Å; E179-R182 IonicContact OE2-NH2 3.53Å; R182-T184 VanDerWaalsContact C-N 3.35Å
183	A	90.2	Very high	90.2	Very high	71 Å²	71	53.1 Å²	53.1	59%	0.587	32%	0.315	S	S	*	.	S	Bend	trans	-87	-6.8	170.8	0	0	0	0	0	113	I150 W178	I150-A183 VanDerWaalsContact CG2-O 3.28Å; I150-A183 WeakPolarHBondContact CG2-O 3.27Å; W178-A183 WeakPolarHBondContact CZ3-O 3.44Å
184	T	93	Very high	89.5	Confident	94 Å²	94	54.9 Å²	54.9	58%	0.577	33%	0.333	S	S	*	.	S	Bend	trans	-112.2	148.8	175.5	53.1	0	0	0	0	110.2	W178 R182	W178-T184 VanDerWaalsContact CZ3-C 3.46Å; R182-T184 VanDerWaalsContact C-N 3.35Å
185	P	93.5	Very high	89.6	Confident	52 Å²	52	55.9 Å²	55.9	34%	0.338	34%	0.34	S	S	.	.			trans	-65.8	138.6	178	27.8	-32.9	0	0	0	109.7	C176 V177 W178	C176-P185 HydrophobicContact CB-CB 4.03Å; V177-P185 CarbonylContact O-C 3.5Å; W178-P185 HydrophobicContact CD2-CB 4.09Å; W178-P185 HydrophobicContact CE3-CB 4.18Å; W178-P185 HydrophobicContact CH2-CB 4.05Å; W178-P185 HydrophobicContact CH2-CG 4.15Å; W178-P185 HydrophobicContact CZ2-CB 3.96Å; W178-P185 HydrophobicContact CZ2-CG 4.36Å; W178-P185 HydrophobicContact CZ3-CB 4.16Å; W178-P185 HydrophobicContact CZ3-CG 4.44Å; W178-P185 VanDerWaalsContact CZ3-N 3.3Å
186	V	92.5	Very high	89.6	Confident	56 Å²	56	56.1 Å²	56.1	34%	0.339	34%	0.341	S	S	.	.	S	Bend	trans	-69.7	-42	176	178.1	0	0	0	0	110	V177 E179	V177-V186 WeakPolarHBondContact O-CB 3.37Å; V177-V186 PolarHBondContact O-N 3.48Å; E179-V186 HydrophobicContact CB-CG2 3.86Å
187	R	90.9	Very high	89.7	Confident	75 Å²	75	56.8 Å²	56.8	28%	0.283	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	144.6	180	-86.5	179.2	-88.4	177.9	-6.9	110.9	C176 V177 C223 A225	C176-R187 CarbonylContact C-O 3.48Å; C176-R187 WeakPolarHBondContact CA-O 3.42Å; V177-R187 HydrophobicContact CB-CB 4.32Å; V177-R187 PolarHBondContact N-O 2.98Å; V177-R187 PolarHBondContact O-N 2.8Å; R187-C223 PolarHBondContact NH1-O 3.04Å; R187-C223 PolarHBondContact NH2-O 2.94Å; R187-A225 PolarHBondContact NH1-O 2.91Å
188	T	92.1	Very high	89.8	Confident	85 Å²	85	57.6 Å²	57.6	52%	0.521	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.5	168.8	1.7	0	0	0	0	107.1	C176	C176-T188 WeakPolarHBondContact SG-CG2 3.06Å
189	L	90	Very high	89.8	Confident	7 Å²	7	57.2 Å²	57.2	4%	0.037	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	104.6	-172	-60.8	168.8	0	0	0	109.1	V175 V177 F209 Y221 Q226	V175-L189 HydrophobicContact CB-CB 4.28Å; V175-L189 HydrophobicContact CG1-CD1 4.45Å; V175-L189 PolarHBondContact N-O 3.23Å; V175-L189 PolarHBondContact O-N 3.18Å; V177-L189 HydrophobicContact CG2-CD1 3.82Å; L189-F209 HydrophobicContact CD1-CE1 4.46Å; L189-F209 HydrophobicContact CD1-CZ 3.82Å; L189-Y221 HydrophobicContact CB-CD1 3.96Å; L189-Y221 HydrophobicContact CB-CE1 3.63Å; L189-Y221 HydrophobicContact CD1-CD1 3.76Å; L189-Y221 HydrophobicContact CD1-CE1 4.28Å; L189-Y221 HydrophobicContact CD1-CG 4.4Å; L189-Y221 HydrophobicContact CG-CD1 4.39Å; L189-Q226 WeakPolarHBondContact CD2-O 3.35Å
190	D	84.4	Confident	90	Very high	101 Å²	101	57.1 Å²	57.1	54%	0.54	34%	0.342	S	S	.	.			trans	-118.6	127.8	-175.6	-68.3	-27.5	0	0	0	111.5	S174	S174-D190 WeakPolarHBondContact CA-OD1 3.18Å; S174-D190 WeakPolarHBondContact CB-OD1 3.48Å
191	W	82.5	Confident	90.3	Very high	63 Å²	63	56.6 Å²	56.6	24%	0.239	34%	0.339	C	S	.	.			trans	-99	10.3	167.9	-159.3	-71.2	0	0	0	111	V193 I219 P228 K231 E441	W191-V193 HydrophobicContact CB-CG2 4.13Å; W191-I219 HydrophobicContact CB-CD1 4.38Å; W191-I219 HydrophobicContact CE3-CG2 3.98Å; W191-P228 HydrophobicContact CD2-CB 4.45Å; W191-P228 HydrophobicContact CD2-CG 3.88Å; W191-P228 HydrophobicContact CE3-CB 3.21Å; W191-P228 HydrophobicContact CE3-CG 2.94Å; W191-P228 HydrophobicContact CH2-CG 4.28Å; W191-P228 HydrophobicContact CZ3-CB 3.31Å; W191-P228 HydrophobicContact CZ3-CG 3.19Å; W191-P228 WeakPolarHBondContact CZ3-O 3.44Å; W191-K231 HydrophobicContact CD2-CB 4.33Å; W191-K231 HydrophobicContact CD2-CD 4.26Å; W191-K231 HydrophobicContact CE3-CB 4.43Å; W191-K231 HydrophobicContact CG-CD 4.12Å; W191-K231 HydrophobicContact CZ2-CB 4.25Å; W191-E441 HydrophobicContact CZ2-CB 4.3Å; W191-E441 PolarHBondContact NE1-OE2 2.65Å
192	G	82	Confident	90.6	Very high	79 Å²	79	52 Å²	52	81%	0.814	31%	0.307	S	S	*	.	S	Bend	trans	67.8	34	-174	0	0	0	0	0	113.7
193	V	75.5	Confident	90.7	Very high	26 Å²	26	48.7 Å²	48.7	16%	0.158	30%	0.302	C	S	.	.			trans	-97.6	151.6	176.6	-174.8	0	0	0	0	109.9	W191 A213 D215 I219 K231	W191-V193 HydrophobicContact CB-CG2 4.13Å; V193-A213 HydrophobicContact CB-CB 4.46Å; V193-A213 HydrophobicContact CG1-CB 3.57Å; V193-D215 HydrophobicContact CG1-CB 4.01Å; V193-D215 WeakPolarHBondContact CG1-OD1 3.08Å; V193-D215 WeakPolarHBondContact CG1-OD2 3.45Å; V193-I219 HydrophobicContact CG2-CD1 4.18Å; V193-K231 VanDerWaalsContact CG2-NZ 3.31Å
194	A	77.1	Confident	90.9	Very high	85 Å²	85	47.5 Å²	47.5	70%	0.702	29%	0.292	S	S	*	.	S	Bend	trans	-60.5	-49.2	-174.4	0	0	0	0	0	113.8
195	S	92.5	Very high	91	Very high	42 Å²	42	47 Å²	47	29%	0.294	28%	0.283	S	S	.	.			trans	-162.6	147.2	178.4	57.7	0	0	0	0	112.2	G172 A213 S214	G172-S195 WeakPolarHBondContact O-CA 3.48Å; S195-A213 CarbonylContact O-C 3.56Å; S195-A213 VanDerWaalsContact O-CA 3.31Å; S195-A213 WeakPolarHBondContact O-CA 3.41Å; S195-A213 WeakPolarHBondContact O-CB 3.49Å; S195-S214 PolarHBondContact N-OG 2.82Å; S195-S214 PolarHBondContact O-N 2.77Å; S195-S214 PolarHBondContact O-OG 3.01Å; S195-S214 WeakPolarHBondContact OG-CB 3.16Å; S195-S214 PolarHBondContact OG-OG 3.01Å
196	V	95.3	Very high	91	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.03	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.6	176.2	-178.8	0	0	0	0	108.6	C171 G172 V175 I199 A211 L212 A213	C171-V196 HydrophobicContact CB-CB 3.71Å; C171-V196 HydrophobicContact CB-CG1 3.44Å; C171-V196 VanDerWaalsContact CB-CG1 3.44Å; G172-V196 PolarHBondContact O-N 2.86Å; V175-V196 HydrophobicContact CG2-CB 4.18Å; V175-V196 HydrophobicContact CG2-CG1 4.01Å; V175-V196 HydrophobicContact CG2-CG2 3.92Å; V196-I199 HydrophobicContact CG1-CG1 4.32Å; V196-A211 HydrophobicContact CG1-CB 3.56Å; V196-L212 WeakPolarHBondContact CA-O 3.49Å; V196-L212 WeakPolarHBondContact CG1-O 3.3Å; V196-A213 HydrophobicContact CG2-CB 4.12Å
197	H	94.9	Very high	91.1	Very high	24 Å²	24	44.4 Å²	44.4	11%	0.111	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	-14.2	-171	57.2	-92.5	0	0	0	114.9	M157 L212 A213 K237 S238	M157-H197 HydrophobicContact CB-CB 4.39Å; M157-H197 HydrophobicContact CE-CB 4.47Å; H197-L212 PolarHBondContact CE1-O 3.03Å; H197-L212 PolarHBondContact N-O 3.36Å; H197-L212 PolarHBondContact ND1-O 3.21Å; H197-A213 PolarHBondContact CE1-O 2.91Å; H197-A213 VanDerWaalsContact CE1-O 3.32Å; H197-K237 WeakPolarHBondContact CE1-CE 3.07Å; H197-K237 WeakPolarHBondContact NE2-CE 3.45Å; H197-S238 PolarHBondContact NE2-O 2.91Å
198	K	97.3	Very high	91.3	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	176.4	-156.8	81.9	-172.3	169.4	0	110.5	D158 R200 A211 L212	D158-K198 WeakPolarHBondContact OD2-CD 3.09Å; D158-K198 WeakPolarHBondContact OD2-CE 3.42Å; D158-K198 WeakPolarHBondContact OD2-CG 3.31Å; D158-K198 IonicContact OD2-NZ 2.82Å; K198-R200 VanDerWaalsContact CE-NH2 3.28Å; K198-A211 CarbonylContact O-C 3.56Å; K198-A211 VanDerWaalsContact O-CA 3.26Å; K198-A211 WeakPolarHBondContact O-CA 3.47Å; K198-L212 HydrophobicContact CB-CB 4.09Å; K198-L212 HydrophobicContact CB-CD1 4.06Å; K198-L212 HydrophobicContact CB-CG 4.21Å; K198-L212 PolarHBondContact O-N 3.09Å
199	I	96.4	Very high	91.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	142.8	170.9	-78.3	172.9	0	0	0	109.9	D158 A160 A169 C171 V175 V196 F209 A210 A211	D158-I199 PolarHBondContact OD2-N 2.75Å; A160-I199 HydrophobicContact CB-CB 4.45Å; A160-I199 HydrophobicContact CB-CG2 3.73Å; A169-I199 HydrophobicContact CB-CD1 4.42Å; A169-I199 HydrophobicContact CB-CG2 4.32Å; C171-I199 HydrophobicContact CB-CD1 3.39Å; C171-I199 HydrophobicContact CB-CG1 3.88Å; C171-I199 WeakPolarHBondContact SG-CD1 3.27Å; C171-I199 WeakPolarHBondContact SG-CG1 3.27Å; V175-I199 HydrophobicContact CB-CD1 4.38Å; V175-I199 HydrophobicContact CG1-CD1 3.67Å; V175-I199 HydrophobicContact CG2-CD1 3.99Å; V196-I199 HydrophobicContact CG1-CG1 4.32Å; I199-F209 HydrophobicContact CD1-CE2 4.47Å; I199-F209 HydrophobicContact CG2-CD2 3.94Å; I199-A210 WeakPolarHBondContact CA-O 3.43Å; I199-A211 HydrophobicContact CD1-CB 4.35Å; I199-A211 HydrophobicContact CG1-CB 3.59Å
200	R	97.6	Very high	91.9	Very high	63 Å²	63	37.2 Å²	37.2	24%	0.238	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	130.8	166	-67.2	-64.3	178	-115.6	13.5	111.9	D158 K198 F209 A210 I241 W243	D158-R200 IonicContact OD1-NH1 2.74Å; D158-R200 PolarHBondContact OD1-NH1 3.22Å; D158-R200 IonicContact OD2-CZ 3.54Å; D158-R200 IonicContact OD2-NH1 3.41Å; D158-R200 PolarHBondContact OD2-NH1 2.82Å; K198-R200 VanDerWaalsContact CE-NH2 3.28Å; R200-F209 WeakPolarHBondContact O-CA 3.44Å; R200-F209 WeakPolarHBondContact O-CB 3.36Å; R200-A210 PolarHBondContact N-O 2.87Å; R200-A210 PolarHBondContact O-N 3.38Å; R200-I241 HydrophobicContact CB-CG2 4.07Å; R200-I241 HydrophobicContact CG-CG2 3.91Å; R200-I241 VanDerWaalsContact CG-O 3.27Å; R200-I241 WeakPolarHBondContact CG-O 3.34Å; R200-W243 PolarHBondContact O-NE1 3.23Å
201	F	97	Very high	92.4	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	146.6	165.8	-83.2	-86.1	0	0	0	111.2	A160 H161 A169 P206 F209 W243	A160-F201 HydrophobicContact CB-CD2 3.69Å; A160-F201 HydrophobicContact CB-CE2 4.24Å; A160-F201 VanDerWaalsContact O-CE2 3.32Å; A160-F201 WeakPolarHBondContact O-CE2 3.45Å; H161-F201 VanDerWaalsContact C-CD2 3.41Å; A169-F201 HydrophobicContact CB-CE2 3.61Å; A169-F201 HydrophobicContact CB-CZ 3.84Å; F201-P206 VanDerWaalsContact CD1-O 3.29Å; F201-P206 WeakPolarHBondContact CD1-O 3.44Å; F201-F209 HydrophobicContact CB-CB 4.43Å; F201-F209 HydrophobicContact CD1-CB 3.7Å; F201-F209 HydrophobicContact CD1-CD1 4.25Å; F201-F209 HydrophobicContact CD1-CG 4.35Å; F201-F209 HydrophobicContact CD2-CB 4.32Å; F201-F209 HydrophobicContact CE1-CB 3.92Å; F201-F209 AromaticContact CE1-CD1 3.6Å; F201-F209 HydrophobicContact CE1-CD1 3.6Å; F201-F209 HydrophobicContact CE1-CE1 4.47Å; F201-F209 HydrophobicContact CE1-CG 4.05Å; F201-F209 HydrophobicContact CE2-CB 4.5Å; F201-F209 HydrophobicContact CG-CB 3.92Å; F201-F209 HydrophobicContact CZ-CB 4.31Å; F201-F209 AromaticContact CZ-CD1 3.84Å; F201-F209 HydrophobicContact CZ-CD1 3.84Å; F201-F209 HydrophobicContact CZ-CE1 4.43Å; F201-F209 HydrophobicContact CZ-CG 4.18Å; F201-W243 VanDerWaalsContact O-CD1 3.24Å
202	N	96.8	Very high	93.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	19%	0.192	C	C	.	.			trans	-72.9	122	167.8	-175.5	-16.4	0	0	0	108.8	A204 E205 I208 W243 P248	N202-A204 VanDerWaalsContact C-N 3.27Å; N202-A204 PolarHBondContact O-N 3.34Å; N202-A204 PolarHBondContact OD1-N 2.65Å; N202-A204 VanDerWaalsContact OD1-N 3.11Å; N202-E205 HydrophobicContact CB-CB 4.45Å; N202-E205 WeakPolarHBondContact CB-O 3.38Å; N202-E205 CarbonylContact O-C 3.49Å; N202-E205 PolarHBondContact OD1-N 3.18Å; N202-I208 HydrophobicContact CB-CB 4.37Å; N202-I208 WeakPolarHBondContact CB-O 3.29Å; N202-I208 PolarHBondContact N-O 2.87Å; N202-W243 HydrophobicContact CB-CD2 3.84Å; N202-W243 HydrophobicContact CB-CE3 4.15Å; N202-W243 HydrophobicContact CB-CG 4.08Å; N202-W243 HydrophobicContact CB-CZ2 4.4Å; N202-P248 PolarHBondContact ND2-O 2.89Å
203	P	93.9	Very high	93.8	Very high	55 Å²	55	25.6 Å²	25.6	36%	0.357	15%	0.153	S	C	.	.	S	Bend	trans	-70.1	-23.1	-176.7	29.9	-38.8	0	0	0	113.6	W243 P245	P203-W243 HydrophobicContact CG-CB 4.41Å; P203-P245 HydrophobicContact CG-CB 4.03Å
204	A	94.2	Very high	94.6	Very high	46 Å²	46	26.4 Å²	26.4	38%	0.38	16%	0.16	S	C	.	.	S	Bend	trans	-95.4	-35.1	-179	0	0	0	0	0	112.4	N202 P248	N202-A204 VanDerWaalsContact C-N 3.27Å; N202-A204 PolarHBondContact O-N 3.34Å; N202-A204 PolarHBondContact OD1-N 2.65Å; N202-A204 VanDerWaalsContact OD1-N 3.11Å; A204-P248 HydrophobicContact CB-CB 3.82Å; A204-P248 HydrophobicContact CB-CG 4.39Å
205	E	95	Very high	95.4	Very high	84 Å²	84	24.7 Å²	24.7	39%	0.393	14%	0.139	S	C	.	.	S	Bend	trans	-113.1	93.1	174.2	-70.5	-68.1	163.2	0	0	109.9	N202 D207 I208 P248	N202-E205 HydrophobicContact CB-CB 4.45Å; N202-E205 WeakPolarHBondContact CB-O 3.38Å; N202-E205 CarbonylContact O-C 3.49Å; N202-E205 PolarHBondContact OD1-N 3.18Å; E205-D207 PolarHBondContact O-N 3.08Å; E205-D207 VanDerWaalsContact O-N 3.11Å; E205-I208 HydrophobicContact CB-CB 4.47Å; E205-I208 HydrophobicContact CB-CD1 4.14Å; E205-I208 HydrophobicContact CB-CG1 4.36Å; E205-I208 PolarHBondContact O-N 3.08Å; E205-I208 VanDerWaalsContact O-N 3.11Å; E205-P248 HydrophobicContact CG-CB 3.76Å; E205-P248 HydrophobicContact CG-CG 4.43Å
206	P	93.1	Very high	95.5	Very high	21 Å²	21	27.1 Å²	27.1	14%	0.136	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.2	-163.2	27	-36.3	0	0	0	115.3	S162 T164 F201	S162-P206 VanDerWaalsContact OG-CB 3.31Å; S162-P206 WeakPolarHBondContact OG-CB 3.39Å; S162-P206 PolarHBondContact OG-O 3.27Å; T164-P206 HydrophobicContact CG2-CB 4.33Å; T164-P206 HydrophobicContact CG2-CG 4.29Å; T164-P206 WeakPolarHBondContact OG1-CB 3.3Å; T164-P206 WeakPolarHBondContact OG1-CG 3.19Å; F201-P206 VanDerWaalsContact CD1-O 3.29Å; F201-P206 WeakPolarHBondContact CD1-O 3.44Å
207	D	94.5	Very high	95.5	Very high	32 Å²	32	26.9 Å²	26.9	17%	0.171	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.1	178.9	-63.1	-38.7	0	0	0	112.5	N165 E205 C223 R224	N165-D207 PolarHBondContact ND2-OD1 2.73Å; E205-D207 PolarHBondContact O-N 3.08Å; E205-D207 VanDerWaalsContact O-N 3.11Å; D207-C223 HydrophobicContact CB-CB 4.23Å; D207-C223 WeakPolarHBondContact O-CB 3.48Å; D207-C223 PolarHBondContact O-N 3.13Å; D207-C223 PolarHBondContact O-SG 2.72Å; D207-R224 HydrophobicContact CB-CG 4.18Å; D207-R224 WeakPolarHBondContact OD2-CD 3.32Å; D207-R224 IonicContact OD2-NE 3.03Å; D207-R224 IonicContact OD2-NH1 2.81Å
208	I	95.7	Very high	95.6	Very high	16 Å²	16	25.8 Å²	25.8	8%	0.082	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	134.1	-175.6	-57.7	179.6	0	0	0	109.1	N202 E205 W243 M265	N202-I208 HydrophobicContact CB-CB 4.37Å; N202-I208 WeakPolarHBondContact CB-O 3.29Å; N202-I208 PolarHBondContact N-O 2.87Å; E205-I208 HydrophobicContact CB-CB 4.47Å; E205-I208 HydrophobicContact CB-CD1 4.14Å; E205-I208 HydrophobicContact CB-CG1 4.36Å; E205-I208 PolarHBondContact O-N 3.08Å; E205-I208 VanDerWaalsContact O-N 3.11Å; I208-W243 HydrophobicContact CG2-CH2 4.11Å; I208-W243 HydrophobicContact CG2-CZ2 4.22Å; I208-M265 HydrophobicContact CD1-CE 4.03Å; I208-M265 HydrophobicContact CG2-CE 4.35Å
209	F	96.5	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	157.2	172.2	66.4	-88.6	0	0	0	111.1	V175 V177 L189 I199 R200 F201 Y221 C223	V175-F209 HydrophobicContact CG1-CE2 3.73Å; V175-F209 HydrophobicContact CG1-CZ 3.96Å; V177-F209 HydrophobicContact CG2-CE1 4.36Å; V177-F209 HydrophobicContact CG2-CZ 4.26Å; L189-F209 HydrophobicContact CD1-CE1 4.46Å; L189-F209 HydrophobicContact CD1-CZ 3.82Å; I199-F209 HydrophobicContact CD1-CE2 4.47Å; I199-F209 HydrophobicContact CG2-CD2 3.94Å; R200-F209 WeakPolarHBondContact O-CA 3.44Å; R200-F209 WeakPolarHBondContact O-CB 3.36Å; F201-F209 HydrophobicContact CB-CB 4.43Å; F201-F209 HydrophobicContact CD1-CB 3.7Å; F201-F209 HydrophobicContact CD1-CD1 4.25Å; F201-F209 HydrophobicContact CD1-CG 4.35Å; F201-F209 HydrophobicContact CD2-CB 4.32Å; F201-F209 HydrophobicContact CE1-CB 3.92Å; F201-F209 AromaticContact CE1-CD1 3.6Å; F201-F209 HydrophobicContact CE1-CD1 3.6Å; F201-F209 HydrophobicContact CE1-CE1 4.47Å; F201-F209 HydrophobicContact CE1-CG 4.05Å; F201-F209 HydrophobicContact CE2-CB 4.5Å; F201-F209 HydrophobicContact CG-CB 3.92Å; F201-F209 HydrophobicContact CZ-CB 4.31Å; F201-F209 AromaticContact CZ-CD1 3.84Å; F201-F209 HydrophobicContact CZ-CD1 3.84Å; F201-F209 HydrophobicContact CZ-CE1 4.43Å; F201-F209 HydrophobicContact CZ-CG 4.18Å; F209-Y221 AromaticContact CD2-CD2 3.92Å; F209-Y221 HydrophobicContact CD2-CD2 3.92Å; F209-Y221 HydrophobicContact CD2-CG 4.25Å; F209-Y221 HydrophobicContact CE1-CG 4.38Å; F209-Y221 VanDerWaalsContact CE2-CB 3.41Å; F209-Y221 HydrophobicContact CE2-CD1 4.44Å; F209-Y221 AromaticContact CE2-CD2 3.36Å; F209-Y221 HydrophobicContact CE2-CD2 3.36Å; F209-Y221 HydrophobicContact CE2-CE2 4.21Å; F209-Y221 AromaticContact CE2-CG 3.5Å; F209-Y221 HydrophobicContact CE2-CG 3.5Å; F209-Y221 HydrophobicContact CZ-CD1 4.28Å; F209-Y221 AromaticContact CZ-CD2 3.97Å; F209-Y221 HydrophobicContact CZ-CD2 3.97Å; F209-Y221 AromaticContact CZ-CG 3.59Å; F209-Y221 HydrophobicContact CZ-CG 3.59Å; F209-Y221 PolarHBondContact N-O 2.79Å; F209-Y221 PolarHBondContact O-N 2.68Å; F209-C223 VanDerWaalsContact CE1-SG 3.52Å
210	A	96.8	Very high	95.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	145	176.5	0	0	0	0	0	109.7	I199 R200 I219 L220 I241 W243	I199-A210 WeakPolarHBondContact CA-O 3.43Å; R200-A210 PolarHBondContact N-O 2.87Å; R200-A210 PolarHBondContact O-N 3.38Å; A210-I219 CarbonylContact C-O 3.6Å; A210-I219 VanDerWaalsContact CA-O 3.31Å; A210-I219 WeakPolarHBondContact CA-O 3.38Å; A210-L220 HydrophobicContact CB-CD2 3.65Å; A210-I241 HydrophobicContact CB-CD1 3.44Å; A210-I241 VanDerWaalsContact CB-CD1 3.44Å; A210-W243 HydrophobicContact CB-CZ2 3.63Å
211	A	96.6	Very high	95.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	149	175.2	0	0	0	0	0	111.1	V175 V196 K198 I199 I219 Y221	V175-A211 HydrophobicContact CG2-CB 4.41Å; V196-A211 HydrophobicContact CG1-CB 3.56Å; K198-A211 CarbonylContact O-C 3.56Å; K198-A211 VanDerWaalsContact O-CA 3.26Å; K198-A211 WeakPolarHBondContact O-CA 3.47Å; I199-A211 HydrophobicContact CD1-CB 4.35Å; I199-A211 HydrophobicContact CG1-CB 3.59Å; A211-I219 PolarHBondContact N-O 2.88Å; A211-I219 PolarHBondContact O-N 2.85Å; A211-Y221 HydrophobicContact CB-CD2 4.18Å; A211-Y221 HydrophobicContact CB-CE2 3.65Å
212	L	97	Very high	95.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.9	174.9	-57.1	-176.4	0	0	0	109.3	V196 H197 K198 I218 S238 S240 I241 V253	V196-L212 WeakPolarHBondContact CA-O 3.49Å; V196-L212 WeakPolarHBondContact CG1-O 3.3Å; H197-L212 PolarHBondContact CE1-O 3.03Å; H197-L212 PolarHBondContact N-O 3.36Å; H197-L212 PolarHBondContact ND1-O 3.21Å; K198-L212 HydrophobicContact CB-CB 4.09Å; K198-L212 HydrophobicContact CB-CD1 4.06Å; K198-L212 HydrophobicContact CB-CG 4.21Å; K198-L212 PolarHBondContact O-N 3.09Å; L212-I218 HydrophobicContact CD2-CB 4.17Å; L212-I218 HydrophobicContact CD2-CG1 3.68Å; L212-I218 HydrophobicContact CD2-CG2 4.05Å; L212-S238 WeakPolarHBondContact CD2-OG 3.48Å; L212-S240 VanDerWaalsContact CD1-C 3.4Å; L212-I241 HydrophobicContact CD1-CB 3.97Å; L212-I241 HydrophobicContact CD1-CG2 4.11Å; L212-I241 HydrophobicContact CD2-CB 4.18Å; L212-I241 HydrophobicContact CD2-CD1 4.2Å; L212-I241 HydrophobicContact CD2-CG2 4.44Å; L212-I241 HydrophobicContact CG-CB 4.12Å; L212-I241 HydrophobicContact CG-CG2 4Å; L212-V253 HydrophobicContact CD2-CG1 4.37Å
213	A	95.5	Very high	95	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	157.5	-178.6	0	0	0	0	0	113.1	V193 S195 V196 H197 D215 R216 S217 I219	V193-A213 HydrophobicContact CB-CB 4.46Å; V193-A213 HydrophobicContact CG1-CB 3.57Å; S195-A213 CarbonylContact O-C 3.56Å; S195-A213 VanDerWaalsContact O-CA 3.31Å; S195-A213 WeakPolarHBondContact O-CA 3.41Å; S195-A213 WeakPolarHBondContact O-CB 3.49Å; V196-A213 HydrophobicContact CG2-CB 4.12Å; H197-A213 PolarHBondContact CE1-O 2.91Å; H197-A213 VanDerWaalsContact CE1-O 3.32Å; A213-D215 WeakPolarHBondContact CB-OD1 3.35Å; A213-D215 PolarHBondContact O-N 3.42Å; A213-R216 PolarHBondContact O-N 2.89Å; A213-R216 VanDerWaalsContact O-N 3.15Å; A213-S217 WeakPolarHBondContact CB-OG 3.44Å; A213-S217 PolarHBondContact N-O 3.02Å; A213-I219 HydrophobicContact CB-CD1 4.29Å
214	S	93.7	Very high	94.8	Very high	43 Å²	43	27.2 Å²	27.2	30%	0.301	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.8	-174.1	55.8	0	0	0	0	113.5	S195 R216	S195-S214 PolarHBondContact N-OG 2.82Å; S195-S214 PolarHBondContact O-N 2.77Å; S195-S214 PolarHBondContact O-OG 3.01Å; S195-S214 WeakPolarHBondContact OG-CB 3.16Å; S195-S214 PolarHBondContact OG-OG 3.01Å; S214-R216 PolarHBondContact O-N 3.02Å; S214-R216 VanDerWaalsContact O-N 3.1Å
215	D	93	Very high	94.6	Very high	48 Å²	48	26.4 Å²	26.4	26%	0.257	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9.7	173.8	73	-18.5	0	0	0	114.1	V193 A213 S217 K231	V193-D215 HydrophobicContact CG1-CB 4.01Å; V193-D215 WeakPolarHBondContact CG1-OD1 3.08Å; V193-D215 WeakPolarHBondContact CG1-OD2 3.45Å; A213-D215 WeakPolarHBondContact CB-OD1 3.35Å; A213-D215 PolarHBondContact O-N 3.42Å; D215-S217 VanDerWaalsContact C-N 3.3Å; D215-S217 WeakPolarHBondContact OD1-CB 3.28Å; D215-S217 PolarHBondContact OD1-N 3.39Å; D215-S217 VanDerWaalsContact OD1-N 3.09Å; D215-S217 PolarHBondContact OD1-OG 3.04Å; D215-S217 PolarHBondContact OD2-OG 2.79Å; D215-K231 WeakPolarHBondContact OD2-CE 3.29Å; D215-K231 IonicContact OD2-NZ 2.72Å; D215-K231 PolarHBondContact OD2-NZ 2.81Å
216	R	95.1	Very high	94.1	Very high	93 Å²	93	30.1 Å²	30.1	35%	0.351	15%	0.146	S	C	.	.	S	Bend	trans	73.5	18.7	-176.9	-43.8	164.4	-71.8	169.6	-1.1	113.4	A213 S214 M234 T235 K237	A213-R216 PolarHBondContact O-N 2.89Å; A213-R216 VanDerWaalsContact O-N 3.15Å; S214-R216 PolarHBondContact O-N 3.02Å; S214-R216 VanDerWaalsContact O-N 3.1Å; R216-M234 PolarHBondContact O-N 3.3Å; R216-T235 WeakPolarHBondContact CD-O 3.39Å; R216-T235 PolarHBondContact NH1-O 2.93Å; R216-K237 HydrophobicContact CG-CB 4.08Å
217	S	95.2	Very high	93.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	149.4	178.4	70	0	0	0	0	113.8	A213 D215 K231 V232	A213-S217 WeakPolarHBondContact CB-OG 3.44Å; A213-S217 PolarHBondContact N-O 3.02Å; D215-S217 VanDerWaalsContact C-N 3.3Å; D215-S217 WeakPolarHBondContact OD1-CB 3.28Å; D215-S217 PolarHBondContact OD1-N 3.39Å; D215-S217 VanDerWaalsContact OD1-N 3.09Å; D215-S217 PolarHBondContact OD1-OG 3.04Å; D215-S217 PolarHBondContact OD2-OG 2.79Å; S217-K231 VanDerWaalsContact OG-CE 3.3Å; S217-K231 WeakPolarHBondContact OG-CE 3.41Å; S217-V232 CarbonylContact C-O 3.58Å; S217-V232 WeakPolarHBondContact CA-O 3.43Å
218	I	96.2	Very high	93.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.1	166.7	-56.2	156.7	0	0	0	105.8	L212 K231 V232 M234 I241 F251 V253 F263	L212-I218 HydrophobicContact CD2-CB 4.17Å; L212-I218 HydrophobicContact CD2-CG1 3.68Å; L212-I218 HydrophobicContact CD2-CG2 4.05Å; I218-K231 CarbonylContact O-C 3.54Å; I218-K231 WeakPolarHBondContact O-CA 3.37Å; I218-V232 HydrophobicContact CB-CB 4.39Å; I218-V232 PolarHBondContact N-O 2.93Å; I218-V232 PolarHBondContact O-N 3.47Å; I218-M234 HydrophobicContact CD1-CG 3.96Å; I218-M234 HydrophobicContact CD1-SD 3.76Å; I218-I241 HydrophobicContact CG2-CD1 4.17Å; I218-F251 HydrophobicContact CG2-CE2 4.05Å; I218-F251 HydrophobicContact CG2-CZ 4.29Å; I218-V253 HydrophobicContact CD1-CB 4.46Å; I218-V253 HydrophobicContact CD1-CG1 4.3Å; I218-V253 HydrophobicContact CD1-CG2 3.84Å; I218-V253 HydrophobicContact CG1-CG2 4.4Å; I218-F263 HydrophobicContact CD1-CD2 4.46Å; I218-F263 HydrophobicContact CD1-CE2 3.96Å
219	I	95.7	Very high	93.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.5	-177.1	-50.6	170.7	0	0	0	108.3	W191 V193 A210 A211 A213 Y221 P228 R230 K231	W191-I219 HydrophobicContact CB-CD1 4.38Å; W191-I219 HydrophobicContact CE3-CG2 3.98Å; V193-I219 HydrophobicContact CG2-CD1 4.18Å; A210-I219 CarbonylContact C-O 3.6Å; A210-I219 VanDerWaalsContact CA-O 3.31Å; A210-I219 WeakPolarHBondContact CA-O 3.38Å; A211-I219 PolarHBondContact N-O 2.88Å; A211-I219 PolarHBondContact O-N 2.85Å; A213-I219 HydrophobicContact CB-CD1 4.29Å; I219-Y221 HydrophobicContact CB-CD2 4.48Å; I219-Y221 HydrophobicContact CB-CE2 3.76Å; I219-Y221 HydrophobicContact CG2-CD2 4.08Å; I219-Y221 HydrophobicContact CG2-CE1 4.18Å; I219-Y221 HydrophobicContact CG2-CE2 3.46Å; I219-Y221 VanDerWaalsContact CG2-CE2 3.46Å; I219-P228 HydrophobicContact CG2-CB 4.24Å; I219-R230 WeakPolarHBondContact CA-O 3.22Å; I219-K231 HydrophobicContact CG1-CB 4.4Å; I219-K231 HydrophobicContact CG1-CD 4.37Å; I219-K231 HydrophobicContact CG1-CG 4.08Å
220	L	96.1	Very high	93.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.9	173.2	-60.2	-175.9	0	0	0	109.8	A210 L229 R230 W243 F251 M265 L268	A210-L220 HydrophobicContact CB-CD2 3.65Å; L220-L229 HydrophobicContact CB-CB 4.25Å; L220-L229 WeakPolarHBondContact O-CB 3.5Å; L220-L229 PolarHBondContact O-N 3.37Å; L220-R230 HydrophobicContact CB-CB 4.4Å; L220-R230 HydrophobicContact CD1-CB 4.38Å; L220-R230 PolarHBondContact N-O 3.37Å; L220-W243 HydrophobicContact CD2-CH2 4.09Å; L220-W243 HydrophobicContact CD2-CZ2 4.13Å; L220-F251 HydrophobicContact CD2-CE1 4.27Å; L220-F251 HydrophobicContact CD2-CZ 4.47Å; L220-M265 HydrophobicContact CD1-CB 4Å; L220-L268 HydrophobicContact CD1-CD1 3.79Å; L220-L268 HydrophobicContact CG-CD1 4.48Å
221	Y	95.1	Very high	93	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.1	177.7	-63.9	-89	0	0	0	109.8	V175 L189 F209 A211 I219 P228	V175-Y221 HydrophobicContact CG2-CE2 4.09Å; L189-Y221 HydrophobicContact CB-CD1 3.96Å; L189-Y221 HydrophobicContact CB-CE1 3.63Å; L189-Y221 HydrophobicContact CD1-CD1 3.76Å; L189-Y221 HydrophobicContact CD1-CE1 4.28Å; L189-Y221 HydrophobicContact CD1-CG 4.4Å; L189-Y221 HydrophobicContact CG-CD1 4.39Å; F209-Y221 AromaticContact CD2-CD2 3.92Å; F209-Y221 HydrophobicContact CD2-CD2 3.92Å; F209-Y221 HydrophobicContact CD2-CG 4.25Å; F209-Y221 HydrophobicContact CE1-CG 4.38Å; F209-Y221 VanDerWaalsContact CE2-CB 3.41Å; F209-Y221 HydrophobicContact CE2-CD1 4.44Å; F209-Y221 AromaticContact CE2-CD2 3.36Å; F209-Y221 HydrophobicContact CE2-CD2 3.36Å; F209-Y221 HydrophobicContact CE2-CE2 4.21Å; F209-Y221 AromaticContact CE2-CG 3.5Å; F209-Y221 HydrophobicContact CE2-CG 3.5Å; F209-Y221 HydrophobicContact CZ-CD1 4.28Å; F209-Y221 AromaticContact CZ-CD2 3.97Å; F209-Y221 HydrophobicContact CZ-CD2 3.97Å; F209-Y221 AromaticContact CZ-CG 3.59Å; F209-Y221 HydrophobicContact CZ-CG 3.59Å; F209-Y221 PolarHBondContact N-O 2.79Å; F209-Y221 PolarHBondContact O-N 2.68Å; A211-Y221 HydrophobicContact CB-CD2 4.18Å; A211-Y221 HydrophobicContact CB-CE2 3.65Å; I219-Y221 HydrophobicContact CB-CD2 4.48Å; I219-Y221 HydrophobicContact CB-CE2 3.76Å; I219-Y221 HydrophobicContact CG2-CD2 4.08Å; I219-Y221 HydrophobicContact CG2-CE1 4.18Å; I219-Y221 HydrophobicContact CG2-CE2 3.46Å; I219-Y221 VanDerWaalsContact CG2-CE2 3.46Å; Y221-P228 HydrophobicContact CD1-CB 3.61Å; Y221-P228 HydrophobicContact CE1-CB 3.51Å; Y221-P228 HydrophobicContact CE1-CG 4.38Å
222	D	94	Very high	92.9	Very high	19 Å²	19	40.5 Å²	40.5	10%	0.102	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.9	168	-170.6	-24.5	0	0	0	108	R224 A225 L229	D222-R224 PolarHBondContact O-N 2.81Å; D222-R224 WeakPolarHBondContact OD1-CB 3.39Å; D222-R224 WeakPolarHBondContact OD1-CG 3.27Å; D222-R224 IonicContact OD1-CZ 3.25Å; D222-R224 PolarHBondContact OD1-N 3.19Å; D222-R224 IonicContact OD1-NE 2.71Å; D222-R224 PolarHBondContact OD1-NE 2.76Å; D222-R224 IonicContact OD1-NH2 3.26Å; D222-R224 IonicContact OD2-CZ 2.91Å; D222-R224 IonicContact OD2-NE 3.65Å; D222-R224 PolarHBondContact OD2-NE 2.97Å; D222-R224 IonicContact OD2-NH2 3.68Å; D222-R224 PolarHBondContact OD2-NH2 2.82Å; D222-A225 HydrophobicContact CB-CB 4.11Å; D222-A225 PolarHBondContact O-N 3.3Å; D222-L229 HydrophobicContact CB-CD1 3.84Å; D222-L229 HydrophobicContact CB-CD2 4.18Å; D222-L229 HydrophobicContact CB-CG 4.01Å
223	C	91.1	Very high	92.8	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.041	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.3	173.6	-73.5	0	0	0	0	112.9	R187 D207 F209	R187-C223 PolarHBondContact NH1-O 3.04Å; R187-C223 PolarHBondContact NH2-O 2.94Å; D207-C223 HydrophobicContact CB-CB 4.23Å; D207-C223 WeakPolarHBondContact O-CB 3.48Å; D207-C223 PolarHBondContact O-N 3.13Å; D207-C223 PolarHBondContact O-SG 2.72Å; F209-C223 VanDerWaalsContact CE1-SG 3.52Å
224	R	90.5	Very high	92.9	Very high	156 Å²	156	41.1 Å²	41.1	59%	0.589	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-25.2	174.9	-58.7	167.3	-62.5	-174.6	8.3	111.9	D207 D222	D207-R224 HydrophobicContact CB-CG 4.18Å; D207-R224 WeakPolarHBondContact OD2-CD 3.32Å; D207-R224 IonicContact OD2-NE 3.03Å; D207-R224 IonicContact OD2-NH1 2.81Å; D222-R224 PolarHBondContact O-N 2.81Å; D222-R224 WeakPolarHBondContact OD1-CB 3.39Å; D222-R224 WeakPolarHBondContact OD1-CG 3.27Å; D222-R224 IonicContact OD1-CZ 3.25Å; D222-R224 PolarHBondContact OD1-N 3.19Å; D222-R224 IonicContact OD1-NE 2.71Å; D222-R224 PolarHBondContact OD1-NE 2.76Å; D222-R224 IonicContact OD1-NH2 3.26Å; D222-R224 IonicContact OD2-CZ 2.91Å; D222-R224 IonicContact OD2-NE 3.65Å; D222-R224 PolarHBondContact OD2-NE 2.97Å; D222-R224 IonicContact OD2-NH2 3.68Å; D222-R224 PolarHBondContact OD2-NH2 2.82Å
225	A	89.8	Confident	93	Very high	29 Å²	29	41.2 Å²	41.2	24%	0.24	20%	0.197	C	C	.	.			trans	-85.3	154.7	175.5	0	0	0	0	0	110.9	R187 D222 D227	R187-A225 PolarHBondContact NH1-O 2.91Å; D222-A225 HydrophobicContact CB-CB 4.11Å; D222-A225 PolarHBondContact O-N 3.3Å; A225-D227 WeakPolarHBondContact CB-O 3.45Å
226	Q	84.6	Confident	93.1	Very high	162 Å²	162	42.6 Å²	42.6	76%	0.757	20%	0.204	S	C	*	.	S	Bend	trans	-85.4	-39.5	170.1	-174.7	169.3	-6.1	0	0	110.5	L189	L189-Q226 WeakPolarHBondContact CD2-O 3.35Å
227	D	86.3	Confident	93.2	Very high	120 Å²	120	41 Å²	41	64%	0.642	20%	0.2	S	C	*	.	S	Bend	trans	-89	145.2	178.7	-59	-40.9	0	0	0	111	A225	A225-D227 WeakPolarHBondContact CB-O 3.45Å
228	P	89.5	Confident	93.3	Very high	20 Å²	20	41 Å²	41	13%	0.13	20%	0.2	C	C	.	.			trans	-60.6	150.7	168.2	28	-36.9	0	0	0	111.8	W191 I219 Y221	W191-P228 HydrophobicContact CD2-CB 4.45Å; W191-P228 HydrophobicContact CD2-CG 3.88Å; W191-P228 HydrophobicContact CE3-CB 3.21Å; W191-P228 HydrophobicContact CE3-CG 2.94Å; W191-P228 HydrophobicContact CH2-CG 4.28Å; W191-P228 HydrophobicContact CZ3-CB 3.31Å; W191-P228 HydrophobicContact CZ3-CG 3.19Å; W191-P228 WeakPolarHBondContact CZ3-O 3.44Å; I219-P228 HydrophobicContact CG2-CB 4.24Å; Y221-P228 HydrophobicContact CD1-CB 3.61Å; Y221-P228 HydrophobicContact CE1-CB 3.51Å; Y221-P228 HydrophobicContact CE1-CG 4.38Å
229	L	91.3	Very high	93.3	Very high	58 Å²	58	42.1 Å²	42.1	30%	0.304	21%	0.205	S	C	.	.			trans	-84.6	-47.3	-167.5	-71	178	0	0	0	114.8	L220 D222	L220-L229 HydrophobicContact CB-CB 4.25Å; L220-L229 WeakPolarHBondContact O-CB 3.5Å; L220-L229 PolarHBondContact O-N 3.37Å; D222-L229 HydrophobicContact CB-CD1 3.84Å; D222-L229 HydrophobicContact CB-CD2 4.18Å; D222-L229 HydrophobicContact CB-CG 4.01Å
230	R	93.2	Very high	93.4	Very high	76 Å²	76	42.1 Å²	42.1	29%	0.287	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	147.1	-168.6	-72.9	-69.5	-156.9	-104.2	5.3	109.2	I219 L220 L268 E440 E442	I219-R230 WeakPolarHBondContact CA-O 3.22Å; L220-R230 HydrophobicContact CB-CB 4.4Å; L220-R230 HydrophobicContact CD1-CB 4.38Å; L220-R230 PolarHBondContact N-O 3.37Å; R230-L268 HydrophobicContact CB-CD1 3.7Å; R230-L268 HydrophobicContact CG-CD1 4Å; R230-E440 IonicContact NE-OE1 3.98Å; R230-E442 IonicContact CZ-OE1 2.86Å; R230-E442 IonicContact CZ-OE2 3.8Å; R230-E442 VanDerWaalsContact CZ-OE2 3.25Å; R230-E442 IonicContact NE-OE1 3.65Å; R230-E442 IonicContact NH1-OE1 3.63Å; R230-E442 PolarHBondContact NH1-OE1 3.23Å; R230-E442 IonicContact NH1-OE2 2.69Å; R230-E442 PolarHBondContact NH1-OE2 3.22Å; R230-E442 IonicContact NH2-OE1 3.21Å; R230-E442 PolarHBondContact NH2-OE1 3.08Å; R230-E442 IonicContact NH2-OE2 3.43Å; R230-E442 PolarHBondContact NH2-OE2 3.48Å
231	K	93.5	Very high	93.5	Very high	12 Å²	12	42 Å²	42	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.9	173.3	175.2	178.5	-178.8	-176.5	0	111.2	W191 V193 D215 S217 I218 I219 E440 E441	W191-K231 HydrophobicContact CD2-CB 4.33Å; W191-K231 HydrophobicContact CD2-CD 4.26Å; W191-K231 HydrophobicContact CE3-CB 4.43Å; W191-K231 HydrophobicContact CG-CD 4.12Å; W191-K231 HydrophobicContact CZ2-CB 4.25Å; V193-K231 VanDerWaalsContact CG2-NZ 3.31Å; D215-K231 WeakPolarHBondContact OD2-CE 3.29Å; D215-K231 IonicContact OD2-NZ 2.72Å; D215-K231 PolarHBondContact OD2-NZ 2.81Å; S217-K231 VanDerWaalsContact OG-CE 3.3Å; S217-K231 WeakPolarHBondContact OG-CE 3.41Å; I218-K231 CarbonylContact O-C 3.54Å; I218-K231 WeakPolarHBondContact O-CA 3.37Å; I219-K231 HydrophobicContact CG1-CB 4.4Å; I219-K231 HydrophobicContact CG1-CD 4.37Å; I219-K231 HydrophobicContact CG1-CG 4.08Å; K231-E440 CarbonylContact O-C 3.59Å; K231-E440 WeakPolarHBondContact O-CA 3.19Å; K231-E441 HydrophobicContact CB-CB 4.19Å; K231-E441 PolarHBondContact N-O 3.27Å; K231-E441 PolarHBondContact O-N 3.3Å
232	V	95	Very high	93.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	123.1	178.7	-171.1	0	0	0	0	108.9	S217 I218 L268 V437	S217-V232 CarbonylContact C-O 3.58Å; S217-V232 WeakPolarHBondContact CA-O 3.43Å; I218-V232 HydrophobicContact CB-CB 4.39Å; I218-V232 PolarHBondContact N-O 2.93Å; I218-V232 PolarHBondContact O-N 3.47Å; V232-L268 HydrophobicContact CG2-CB 3.47Å; V232-L268 VanDerWaalsContact CG2-CB 3.47Å; V232-L268 HydrophobicContact CG2-CD1 3.57Å; V232-L268 HydrophobicContact CG2-CD2 4.03Å; V232-L268 HydrophobicContact CG2-CG 3.87Å; V232-V437 HydrophobicContact CG1-CG1 3.78Å; V232-V437 HydrophobicContact CG1-CG2 4.44Å
233	I	95.5	Very high	93.9	Very high	13 Å²	13	42 Å²	42	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	120	177.7	-54.3	-172.4	0	0	0	109.7	I438 R439	I233-I438 HydrophobicContact CG2-CD1 4.37Å; I233-I438 WeakPolarHBondContact O-CB 3.45Å; I233-I438 PolarHBondContact O-N 3.25Å; I233-R439 HydrophobicContact CB-CG 4.19Å; I233-R439 HydrophobicContact CD1-CG 4.01Å; I233-R439 VanDerWaalsContact CD1-NE 3.35Å; I233-R439 HydrophobicContact CG1-CG 4.18Å; I233-R439 PolarHBondContact N-O 2.9Å
234	M	95.9	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	163.6	176.5	-65.6	-152.1	64.9	0	0	112.7	R216 I218 L236 N255 Y261 F263 H436 I438	R216-M234 PolarHBondContact O-N 3.3Å; I218-M234 HydrophobicContact CD1-CG 3.96Å; I218-M234 HydrophobicContact CD1-SD 3.76Å; M234-L236 VanDerWaalsContact C-N 3.35Å; M234-L236 WeakPolarHBondContact CB-O 3.44Å; M234-N255 WeakPolarHBondContact CE-ND2 3.34Å; M234-N255 PolarHBondContact SD-ND2 3.12Å; M234-Y261 HydrophobicContact CE-CD1 4.47Å; M234-Y261 HydrophobicContact CE-CD2 3.48Å; M234-Y261 VanDerWaalsContact CE-CD2 3.48Å; M234-Y261 HydrophobicContact CE-CE2 3.59Å; M234-Y261 HydrophobicContact CE-CG 3.95Å; M234-Y261 HydrophobicContact SD-CD2 4.27Å; M234-F263 HydrophobicContact SD-CE2 4.39Å; M234-H436 CarbonylContact C-O 3.21Å; M234-H436 WeakPolarHBondContact CA-O 3.44Å; M234-H436 HydrophobicContact CE-CB 4.05Å; M234-I438 WeakPolarHBondContact O-CD1 3.29Å
235	T	95.6	Very high	94.4	Very high	45 Å²	45	36 Å²	36	28%	0.276	19%	0.187	S	C	.	.	S	Bend	trans	-64.1	-38	174.2	50.7	0	0	0	0	113.6	R216 K435 H436 I438	R216-T235 WeakPolarHBondContact CD-O 3.39Å; R216-T235 PolarHBondContact NH1-O 2.93Å; T235-K435 WeakPolarHBondContact CG2-O 3.28Å; T235-H436 PolarHBondContact N-O 2.8Å; T235-I438 HydrophobicContact CG2-CD1 4.39Å; T235-I438 HydrophobicContact CG2-CG1 4.01Å
236	L	96.7	Very high	94.8	Very high	78 Å²	78	40.8 Å²	40.8	41%	0.408	21%	0.205	S	C	.	.	S	Bend	trans	-133.2	161	179.7	-77.1	175	0	0	0	109.7	M234 N255 D257	M234-L236 VanDerWaalsContact C-N 3.35Å; M234-L236 WeakPolarHBondContact CB-O 3.44Å; L236-N255 VanDerWaalsContact CB-OD1 3.31Å; L236-N255 WeakPolarHBondContact CB-OD1 3.23Å; L236-N255 PolarHBondContact O-ND2 2.92Å; L236-N255 PolarHBondContact O-OD1 2.82Å; L236-D257 HydrophobicContact CB-CB 4.2Å; L236-D257 HydrophobicContact CD1-CB 3.49Å; L236-D257 VanDerWaalsContact CD1-CB 3.49Å; L236-D257 HydrophobicContact CG-CB 4.41Å
237	K	96	Very high	95.3	Very high	60 Å²	60	36.6 Å²	36.6	26%	0.261	19%	0.186	S	C	.	.			trans	-68.4	138.9	-171.7	179.9	-175.7	171.2	-170.5	0	110.8	H197 R216 N255 E256	H197-K237 WeakPolarHBondContact CE1-CE 3.07Å; H197-K237 WeakPolarHBondContact NE2-CE 3.45Å; R216-K237 HydrophobicContact CG-CB 4.08Å; K237-N255 PolarHBondContact O-OD1 2.99Å; K237-E256 HydrophobicContact CB-CG 4.3Å; K237-E256 WeakPolarHBondContact O-CG 3.17Å; K237-E256 PolarHBondContact O-N 3.49Å
238	S	97.5	Very high	95.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	129.3	170.7	43.1	0	0	0	0	111.2	H197 L212 A254	H197-S238 PolarHBondContact NE2-O 2.91Å; L212-S238 WeakPolarHBondContact CD2-OG 3.48Å; S238-A254 CarbonylContact C-O 3.49Å; S238-A254 VanDerWaalsContact CA-O 3.26Å; S238-A254 WeakPolarHBondContact CA-O 3.39Å
239	N	97.4	Very high	96.1	Very high	23 Å²	23	34.3 Å²	34.3	12%	0.123	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-43.4	-176.6	-69.4	-30.3	0	0	0	112.7	A254 V282	N239-A254 PolarHBondContact N-O 3.06Å; N239-V282 WeakPolarHBondContact CB-O 3.4Å; N239-V282 PolarHBondContact ND2-O 3.07Å
240	S	97.9	Very high	96.4	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.9	-177.8	-170.2	0	0	0	0	111.3	L212 V253 A254 M283 D284	L212-S240 VanDerWaalsContact CD1-C 3.4Å; S240-V253 CarbonylContact O-C 3.55Å; S240-V253 WeakPolarHBondContact O-CA 3.32Å; S240-A254 PolarHBondContact O-N 3.44Å; S240-M283 WeakPolarHBondContact CB-O 3.23Å; S240-D284 WeakPolarHBondContact CB-OD1 3.44Å; S240-D284 PolarHBondContact OG-OD1 3.03Å
241	I	97.7	Very high	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	145.1	179.9	-175.9	158.4	0	0	0	108.3	R200 A210 L212 I218 F251 T252 V253	R200-I241 HydrophobicContact CB-CG2 4.07Å; R200-I241 HydrophobicContact CG-CG2 3.91Å; R200-I241 VanDerWaalsContact CG-O 3.27Å; R200-I241 WeakPolarHBondContact CG-O 3.34Å; A210-I241 HydrophobicContact CB-CD1 3.44Å; A210-I241 VanDerWaalsContact CB-CD1 3.44Å; L212-I241 HydrophobicContact CD1-CB 3.97Å; L212-I241 HydrophobicContact CD1-CG2 4.11Å; L212-I241 HydrophobicContact CD2-CB 4.18Å; L212-I241 HydrophobicContact CD2-CD1 4.2Å; L212-I241 HydrophobicContact CD2-CG2 4.44Å; L212-I241 HydrophobicContact CG-CB 4.12Å; L212-I241 HydrophobicContact CG-CG2 4Å; I218-I241 HydrophobicContact CG2-CD1 4.17Å; I241-F251 HydrophobicContact CD1-CD2 3.51Å; I241-F251 HydrophobicContact CD1-CE2 3.88Å; I241-F251 HydrophobicContact CD1-CG 4.18Å; I241-F251 HydrophobicContact CG1-CB 4.43Å; I241-F251 HydrophobicContact CG1-CD2 3.98Å; I241-T252 CarbonylContact C-O 3.55Å; I241-T252 WeakPolarHBondContact CA-O 3.49Å; I241-V253 HydrophobicContact CD1-CG2 3.99Å; I241-V253 HydrophobicContact CG1-CG2 4.12Å
242	A	98	Very high	96.8	Very high	8 Å²	8	27.5 Å²	27.5	7%	0.066	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	133.8	173.1	0	0	0	0	0	109.7	F251 T252 V285 Y287	A242-F251 CarbonylContact O-C 3.56Å; A242-F251 VanDerWaalsContact O-CA 3.31Å; A242-F251 WeakPolarHBondContact O-CA 3.27Å; A242-F251 WeakPolarHBondContact O-CB 3.2Å; A242-T252 PolarHBondContact N-O 3.3Å; A242-T252 PolarHBondContact O-N 2.83Å; A242-T252 PolarHBondContact O-OG1 3.12Å; A242-V285 HydrophobicContact CB-CB 4.21Å; A242-V285 HydrophobicContact CB-CG1 4.31Å; A242-V285 WeakPolarHBondContact CB-O 3.43Å; A242-Y287 HydrophobicContact CB-CD2 3.84Å; A242-Y287 HydrophobicContact CB-CE2 4.36Å; A242-Y287 WeakPolarHBondContact O-CE2 3.3Å
243	W	98	Very high	97	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.045	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	146.3	174.5	-69	95.4	0	0	0	110.7	R200 F201 N202 P203 I208 A210 L220 P245 P248 F251 M265 Y287	R200-W243 PolarHBondContact O-NE1 3.23Å; F201-W243 VanDerWaalsContact O-CD1 3.24Å; N202-W243 HydrophobicContact CB-CD2 3.84Å; N202-W243 HydrophobicContact CB-CE3 4.15Å; N202-W243 HydrophobicContact CB-CG 4.08Å; N202-W243 HydrophobicContact CB-CZ2 4.4Å; P203-W243 HydrophobicContact CG-CB 4.41Å; I208-W243 HydrophobicContact CG2-CH2 4.11Å; I208-W243 HydrophobicContact CG2-CZ2 4.22Å; A210-W243 HydrophobicContact CB-CZ2 3.63Å; L220-W243 HydrophobicContact CD2-CH2 4.09Å; L220-W243 HydrophobicContact CD2-CZ2 4.13Å; W243-P245 WeakPolarHBondContact O-CD 3.25Å; W243-P248 VanDerWaalsContact CE3-O 3.26Å; W243-P248 VanDerWaalsContact CZ3-O 3.25Å; W243-P248 WeakPolarHBondContact CZ3-O 3.47Å; W243-F251 HydrophobicContact CD2-CB 3.9Å; W243-F251 HydrophobicContact CE3-CB 3.76Å; W243-F251 HydrophobicContact CE3-CD1 4.1Å; W243-F251 HydrophobicContact CE3-CG 4.37Å; W243-F251 HydrophobicContact CG-CB 4.34Å; W243-F251 AromaticContact CH2-CD1 3.87Å; W243-F251 HydrophobicContact CH2-CD1 3.87Å; W243-F251 HydrophobicContact CH2-CE1 4.4Å; W243-F251 HydrophobicContact CZ2-CD1 4.49Å; W243-F251 HydrophobicContact CZ3-CB 4.21Å; W243-F251 AromaticContact CZ3-CD1 3.65Å; W243-F251 HydrophobicContact CZ3-CD1 3.65Å; W243-F251 HydrophobicContact CZ3-CG 4.33Å; W243-M265 HydrophobicContact CH2-CB 4.44Å; W243-M265 HydrophobicContact CZ3-CB 4.4Å; W243-M265 HydrophobicContact CZ3-SD 4.3Å; W243-Y287 WeakPolarHBondContact O-CD2 3.36Å
244	N	97.7	Very high	97.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	14%	0.139	C	C	.	.			trans	-72.7	122	170	-176.2	-17.5	0	0	0	109.1	M246 E247 V250 Y287 G291 Q308	N244-M246 VanDerWaalsContact C-N 3.25Å; N244-M246 PolarHBondContact O-N 3.43Å; N244-M246 PolarHBondContact OD1-N 2.79Å; N244-E247 HydrophobicContact CB-CB 4.32Å; N244-E247 PolarHBondContact ND2-OE2 2.84Å; N244-E247 PolarHBondContact OD1-N 3.29Å; N244-V250 HydrophobicContact CB-CB 4Å; N244-V250 HydrophobicContact CB-CG1 4.17Å; N244-V250 WeakPolarHBondContact CB-O 2.93Å; N244-V250 PolarHBondContact N-O 2.94Å; N244-Y287 HydrophobicContact CB-CD1 4.26Å; N244-Y287 HydrophobicContact CB-CE1 3.86Å; N244-Y287 HydrophobicContact CB-CE2 4.28Å; N244-G291 PolarHBondContact ND2-O 2.75Å; N244-G291 WeakPolarHBondContact OD1-CA 3.4Å; N244-Q308 PolarHBondContact ND2-NE2 2.97Å; N244-Q308 PolarHBondContact ND2-OE1 2.76Å
245	P	96.2	Very high	97.2	Very high	37 Å²	37	26.9 Å²	26.9	24%	0.24	14%	0.139	C	C	.	.	S	Bend	trans	-69.1	-18.6	-177.9	26.9	-34.8	0	0	0	115.1	P203 W243 S288	P203-P245 HydrophobicContact CG-CB 4.03Å; W243-P245 WeakPolarHBondContact O-CD 3.25Å; P245-S288 VanDerWaalsContact CG-O 3.27Å; P245-S288 WeakPolarHBondContact CG-O 3.34Å
246	M	96.5	Very high	97.3	Very high	128 Å²	128	28.2 Å²	28.2	63%	0.631	14%	0.142	S	C	*	.	S	Bend	trans	-103.3	-27.6	-179.1	-68.1	-70	171.7	0	0	112.9	N244 P289 T290	N244-M246 VanDerWaalsContact C-N 3.25Å; N244-M246 PolarHBondContact O-N 3.43Å; N244-M246 PolarHBondContact OD1-N 2.79Å; M246-P289 WeakPolarHBondContact CE-O 3.4Å; M246-T290 WeakPolarHBondContact CG-O 3.22Å
247	E	96.4	Very high	97.2	Very high	75 Å²	75	25.5 Å²	25.5	35%	0.35	13%	0.128	S	C	.	.			trans	-117.1	93.8	178.7	-64	177	168.9	0	0	108.9	N244 F249 V250 Q308	N244-E247 HydrophobicContact CB-CB 4.32Å; N244-E247 PolarHBondContact ND2-OE2 2.84Å; N244-E247 PolarHBondContact OD1-N 3.29Å; E247-F249 HydrophobicContact CB-CZ 4.39Å; E247-F249 PolarHBondContact O-N 3.38Å; E247-V250 HydrophobicContact CB-CB 4.24Å; E247-V250 HydrophobicContact CB-CG2 4.11Å; E247-V250 PolarHBondContact O-N 2.85Å; E247-Q308 PolarHBondContact OE2-NE2 2.95Å
248	P	95.7	Very high	97.3	Very high	32 Å²	32	26.7 Å²	26.7	21%	0.208	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-28.9	-169	18.1	-30.3	0	0	0	113.5	N202 A204 E205 W243 V250	N202-P248 PolarHBondContact ND2-O 2.89Å; A204-P248 HydrophobicContact CB-CB 3.82Å; A204-P248 HydrophobicContact CB-CG 4.39Å; E205-P248 HydrophobicContact CG-CB 3.76Å; E205-P248 HydrophobicContact CG-CG 4.43Å; W243-P248 VanDerWaalsContact CE3-O 3.26Å; W243-P248 VanDerWaalsContact CZ3-O 3.25Å; W243-P248 WeakPolarHBondContact CZ3-O 3.47Å; P248-V250 VanDerWaalsContact C-N 3.28Å; P248-V250 PolarHBondContact O-N 3.09Å
249	F	96	Very high	97.3	Very high	59 Å²	59	27.3 Å²	27.3	26%	0.259	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4	-178	51.1	-92.1	0	0	0	113.5	E247 D264 M265	E247-F249 HydrophobicContact CB-CZ 4.39Å; E247-F249 PolarHBondContact O-N 3.38Å; F249-D264 CarbonylContact O-C 3.58Å; F249-D264 WeakPolarHBondContact O-CA 3.32Å; F249-M265 HydrophobicContact CB-CG 3.66Å; F249-M265 HydrophobicContact CB-SD 3.97Å; F249-M265 PolarHBondContact O-N 2.84Å
250	V	97.6	Very high	97.3	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.024	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	132.5	-179.3	175.6	0	0	0	0	111.1	N244 E247 P248 F263 F272	N244-V250 HydrophobicContact CB-CB 4Å; N244-V250 HydrophobicContact CB-CG1 4.17Å; N244-V250 WeakPolarHBondContact CB-O 2.93Å; N244-V250 PolarHBondContact N-O 2.94Å; E247-V250 HydrophobicContact CB-CB 4.24Å; E247-V250 HydrophobicContact CB-CG2 4.11Å; E247-V250 PolarHBondContact O-N 2.85Å; P248-V250 VanDerWaalsContact C-N 3.28Å; P248-V250 PolarHBondContact O-N 3.09Å; V250-F263 WeakPolarHBondContact CA-O 3.21Å; V250-F272 HydrophobicContact CG1-CE1 3.8Å; V250-F272 HydrophobicContact CG1-CZ 3.91Å; V250-F272 HydrophobicContact CG2-CE1 4.24Å
251	F	97.8	Very high	97.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	154	168	62.8	-90.1	0	0	0	111.5	I218 L220 I241 A242 W243 V253 S262 F263 M265 L268	I218-F251 HydrophobicContact CG2-CE2 4.05Å; I218-F251 HydrophobicContact CG2-CZ 4.29Å; L220-F251 HydrophobicContact CD2-CE1 4.27Å; L220-F251 HydrophobicContact CD2-CZ 4.47Å; I241-F251 HydrophobicContact CD1-CD2 3.51Å; I241-F251 HydrophobicContact CD1-CE2 3.88Å; I241-F251 HydrophobicContact CD1-CG 4.18Å; I241-F251 HydrophobicContact CG1-CB 4.43Å; I241-F251 HydrophobicContact CG1-CD2 3.98Å; A242-F251 CarbonylContact O-C 3.56Å; A242-F251 VanDerWaalsContact O-CA 3.31Å; A242-F251 WeakPolarHBondContact O-CA 3.27Å; A242-F251 WeakPolarHBondContact O-CB 3.2Å; W243-F251 HydrophobicContact CD2-CB 3.9Å; W243-F251 HydrophobicContact CE3-CB 3.76Å; W243-F251 HydrophobicContact CE3-CD1 4.1Å; W243-F251 HydrophobicContact CE3-CG 4.37Å; W243-F251 HydrophobicContact CG-CB 4.34Å; W243-F251 AromaticContact CH2-CD1 3.87Å; W243-F251 HydrophobicContact CH2-CD1 3.87Å; W243-F251 HydrophobicContact CH2-CE1 4.4Å; W243-F251 HydrophobicContact CZ2-CD1 4.49Å; W243-F251 HydrophobicContact CZ3-CB 4.21Å; W243-F251 AromaticContact CZ3-CD1 3.65Å; W243-F251 HydrophobicContact CZ3-CD1 3.65Å; W243-F251 HydrophobicContact CZ3-CG 4.33Å; F251-V253 HydrophobicContact CD2-CG2 3.68Å; F251-V253 HydrophobicContact CE2-CG2 3.68Å; F251-S262 CarbonylContact O-C 3.59Å; F251-S262 WeakPolarHBondContact O-CA 3.2Å; F251-F263 HydrophobicContact CD1-CB 4.39Å; F251-F263 HydrophobicContact CD2-CB 4.25Å; F251-F263 HydrophobicContact CE1-CB 3.86Å; F251-F263 HydrophobicContact CE2-CB 3.7Å; F251-F263 AromaticContact CE2-CD2 3.81Å; F251-F263 HydrophobicContact CE2-CD2 3.81Å; F251-F263 HydrophobicContact CE2-CG 4.08Å; F251-F263 HydrophobicContact CZ-CB 3.49Å; F251-F263 VanDerWaalsContact CZ-CB 3.49Å; F251-F263 HydrophobicContact CZ-CD2 4.27Å; F251-F263 HydrophobicContact CZ-CG 4.08Å; F251-F263 PolarHBondContact N-O 2.71Å; F251-F263 VanDerWaalsContact N-O 3.17Å; F251-F263 PolarHBondContact O-N 3.28Å; F251-M265 HydrophobicContact CD1-CB 4.45Å; F251-M265 HydrophobicContact CE1-CB 4.07Å; F251-L268 HydrophobicContact CE1-CD2 4.03Å; F251-L268 HydrophobicContact CZ-CD2 3.76Å
252	T	98.3	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.3	173	48.6	0	0	0	0	111.2	I241 A242 Y261 S262 V285 Y287 F294	I241-T252 CarbonylContact C-O 3.55Å; I241-T252 WeakPolarHBondContact CA-O 3.49Å; A242-T252 PolarHBondContact N-O 3.3Å; A242-T252 PolarHBondContact O-N 2.83Å; A242-T252 PolarHBondContact O-OG1 3.12Å; T252-Y261 CarbonylContact C-O 3.57Å; T252-Y261 VanDerWaalsContact CA-O 3.26Å; T252-Y261 WeakPolarHBondContact CA-O 3.4Å; T252-S262 WeakPolarHBondContact CG2-OG 3.41Å; T252-V285 WeakPolarHBondContact OG1-CG1 3.37Å; T252-Y287 HydrophobicContact CG2-CE2 3.91Å; T252-Y287 WeakPolarHBondContact CG2-OH 3.23Å; T252-Y287 WeakPolarHBondContact OG1-CE2 3.4Å; T252-F294 HydrophobicContact CG2-CD1 4.25Å; T252-F294 HydrophobicContact CG2-CE1 4.08Å; T252-F294 HydrophobicContact CG2-CZ 4.26Å
253	V	98.1	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.8	177.3	-176	0	0	0	0	109.8	L212 I218 S240 I241 F251 L260 Y261 F263	L212-V253 HydrophobicContact CD2-CG1 4.37Å; I218-V253 HydrophobicContact CD1-CB 4.46Å; I218-V253 HydrophobicContact CD1-CG1 4.3Å; I218-V253 HydrophobicContact CD1-CG2 3.84Å; I218-V253 HydrophobicContact CG1-CG2 4.4Å; S240-V253 CarbonylContact O-C 3.55Å; S240-V253 WeakPolarHBondContact O-CA 3.32Å; I241-V253 HydrophobicContact CD1-CG2 3.99Å; I241-V253 HydrophobicContact CG1-CG2 4.12Å; F251-V253 HydrophobicContact CD2-CG2 3.68Å; F251-V253 HydrophobicContact CE2-CG2 3.68Å; V253-L260 CarbonylContact O-C 3.54Å; V253-L260 VanDerWaalsContact O-CA 3.23Å; V253-L260 WeakPolarHBondContact O-CA 3.08Å; V253-Y261 PolarHBondContact N-O 2.76Å; V253-Y261 PolarHBondContact O-N 3.26Å; V253-F263 HydrophobicContact CG2-CD2 4.33Å
254	A	98.4	Very high	97.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.9	166.6	0	0	0	0	0	110	S238 N239 S240 L260 V282 V285	S238-A254 CarbonylContact C-O 3.49Å; S238-A254 VanDerWaalsContact CA-O 3.26Å; S238-A254 WeakPolarHBondContact CA-O 3.39Å; N239-A254 PolarHBondContact N-O 3.06Å; S240-A254 PolarHBondContact O-N 3.44Å; A254-L260 HydrophobicContact CB-CD2 4.13Å; A254-V282 HydrophobicContact CB-CB 3.74Å; A254-V282 HydrophobicContact CB-CG1 3.52Å; A254-V285 HydrophobicContact CB-CG2 3.29Å
255	N	97.6	Very high	97	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	153.3	-176.6	-162.2	-53.4	0	0	0	111.5	M234 L236 K237 D257 Y258 N259 Y261 V282	M234-N255 WeakPolarHBondContact CE-ND2 3.34Å; M234-N255 PolarHBondContact SD-ND2 3.12Å; L236-N255 VanDerWaalsContact CB-OD1 3.31Å; L236-N255 WeakPolarHBondContact CB-OD1 3.23Å; L236-N255 PolarHBondContact O-ND2 2.92Å; L236-N255 PolarHBondContact O-OD1 2.82Å; K237-N255 PolarHBondContact O-OD1 2.99Å; N255-D257 WeakPolarHBondContact CB-OD1 3.37Å; N255-D257 PolarHBondContact O-N 2.87Å; N255-D257 PolarHBondContact OD1-N 2.88Å; N255-D257 VanDerWaalsContact OD1-N 3.12Å; N255-Y258 PolarHBondContact O-N 2.98Å; N255-N259 PolarHBondContact N-O 3.08Å; N255-Y261 HydrophobicContact CB-CD2 4.02Å; N255-Y261 HydrophobicContact CB-CE2 3.8Å; N255-V282 PolarHBondContact O-N 3.46Å
256	E	97.3	Very high	96.9	Very high	74 Å²	74	36.1 Å²	36.1	35%	0.346	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.1	173.2	-73.2	-175	169.9	0	0	113.2	K237 Y258	K237-E256 HydrophobicContact CB-CG 4.3Å; K237-E256 WeakPolarHBondContact O-CG 3.17Å; K237-E256 PolarHBondContact O-N 3.49Å; E256-Y258 WeakPolarHBondContact O-CD1 3.45Å; E256-Y258 VanDerWaalsContact O-CE1 3.22Å; E256-Y258 WeakPolarHBondContact O-CE1 3.49Å; E256-Y258 PolarHBondContact O-N 3.45Å; E256-Y258 VanDerWaalsContact O-N 3.15Å
257	D	95.8	Very high	96.8	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.107	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	11.3	177.5	79.4	-6.4	0	0	0	115.6	L236 N255 N259 Y261 H436	L236-D257 HydrophobicContact CB-CB 4.2Å; L236-D257 HydrophobicContact CD1-CB 3.49Å; L236-D257 VanDerWaalsContact CD1-CB 3.49Å; L236-D257 HydrophobicContact CG-CB 4.41Å; N255-D257 WeakPolarHBondContact CB-OD1 3.37Å; N255-D257 PolarHBondContact O-N 2.87Å; N255-D257 PolarHBondContact OD1-N 2.88Å; N255-D257 VanDerWaalsContact OD1-N 3.12Å; D257-N259 PolarHBondContact O-N 3.31Å; D257-N259 PolarHBondContact O-ND2 3.41Å; D257-N259 WeakPolarHBondContact OD1-CB 3.23Å; D257-N259 PolarHBondContact OD1-N 2.95Å; D257-Y261 WeakPolarHBondContact OD2-CE2 3.43Å; D257-Y261 PolarHBondContact OD2-OH 2.76Å; D257-H436 IonicContact OD2-CE1 2.68Å; D257-H436 IonicContact OD2-ND1 3.54Å; D257-H436 PolarHBondContact OD2-ND1 3.11Å
258	Y	97.1	Very high	96.7	Very high	86 Å²	86	33.2 Å²	33.2	34%	0.337	14%	0.143	S	C	.	.	S	Bend	trans	74.7	6.6	177.7	-36	-28.2	0	0	0	114	N255 E256 H278 V279 S280 A281 L404	N255-Y258 PolarHBondContact O-N 2.98Å; E256-Y258 WeakPolarHBondContact O-CD1 3.45Å; E256-Y258 VanDerWaalsContact O-CE1 3.22Å; E256-Y258 WeakPolarHBondContact O-CE1 3.49Å; E256-Y258 PolarHBondContact O-N 3.45Å; E256-Y258 VanDerWaalsContact O-N 3.15Å; Y258-H278 WeakPolarHBondContact O-CB 2.92Å; Y258-V279 WeakPolarHBondContact CD2-O 3.46Å; Y258-S280 WeakPolarHBondContact CA-O 3.49Å; Y258-S280 WeakPolarHBondContact CB-O 3.22Å; Y258-S280 VanDerWaalsContact CD1-CA 3.43Å; Y258-S280 VanDerWaalsContact CD1-O 3.29Å; Y258-S280 WeakPolarHBondContact CD1-O 3.38Å; Y258-A281 VanDerWaalsContact CD1-N 3.26Å; Y258-L404 HydrophobicContact CD2-CD1 4.03Å; Y258-L404 HydrophobicContact CD2-CD2 4.16Å; Y258-L404 HydrophobicContact CE2-CD1 4.41Å; Y258-L404 HydrophobicContact CE2-CD2 3.99Å
259	N	97.3	Very high	96.5	Very high	13 Å²	13	34.2 Å²	34.2	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	166.5	179.5	-49.7	-48.4	0	0	0	110.7	N255 D257 Y261 V274 H275 R408	N255-N259 PolarHBondContact N-O 3.08Å; D257-N259 PolarHBondContact O-N 3.31Å; D257-N259 PolarHBondContact O-ND2 3.41Å; D257-N259 WeakPolarHBondContact OD1-CB 3.23Å; D257-N259 PolarHBondContact OD1-N 2.95Å; N259-Y261 HydrophobicContact CB-CE2 4.08Å; N259-Y261 PolarHBondContact ND2-OH 3.1Å; N259-V274 HydrophobicContact CB-CG1 4.18Å; N259-H275 WeakPolarHBondContact CA-O 3.45Å; N259-H275 WeakPolarHBondContact CB-O 3.31Å; N259-R408 PolarHBondContact OD1-NH2 3.47Å
260	L	98	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	147.7	164.6	-48	108.4	0	0	0	110.5	V253 A254 H275 V282 V285 F294 F306	V253-L260 CarbonylContact O-C 3.54Å; V253-L260 VanDerWaalsContact O-CA 3.23Å; V253-L260 WeakPolarHBondContact O-CA 3.08Å; A254-L260 HydrophobicContact CB-CD2 4.13Å; L260-H275 HydrophobicContact CB-CB 4Å; L260-H275 HydrophobicContact CD1-CB 4.05Å; L260-H275 PolarHBondContact N-O 3.47Å; L260-H275 PolarHBondContact O-N 2.84Å; L260-V282 HydrophobicContact CD2-CG1 3.88Å; L260-V282 HydrophobicContact CG-CG1 4.18Å; L260-V282 HydrophobicContact CG-CG2 4.38Å; L260-V285 HydrophobicContact CD2-CB 4.28Å; L260-V285 HydrophobicContact CD2-CG1 4.01Å; L260-V285 HydrophobicContact CD2-CG2 3.24Å; L260-F294 HydrophobicContact CD1-CE2 4.18Å; L260-F294 HydrophobicContact CD2-CE2 4.18Å; L260-F306 HydrophobicContact CD1-CD2 4.16Å; L260-F306 HydrophobicContact CD1-CE2 3.72Å; L260-F306 HydrophobicContact CD1-CZ 4.08Å
261	Y	97.9	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	119.1	-176.6	-63.5	-76	0	0	0	109.7	M234 T252 V253 N255 D257 N259 F263 P271 V274 H436	M234-Y261 HydrophobicContact CE-CD1 4.47Å; M234-Y261 HydrophobicContact CE-CD2 3.48Å; M234-Y261 VanDerWaalsContact CE-CD2 3.48Å; M234-Y261 HydrophobicContact CE-CE2 3.59Å; M234-Y261 HydrophobicContact CE-CG 3.95Å; M234-Y261 HydrophobicContact SD-CD2 4.27Å; T252-Y261 CarbonylContact C-O 3.57Å; T252-Y261 VanDerWaalsContact CA-O 3.26Å; T252-Y261 WeakPolarHBondContact CA-O 3.4Å; V253-Y261 PolarHBondContact N-O 2.76Å; V253-Y261 PolarHBondContact O-N 3.26Å; N255-Y261 HydrophobicContact CB-CD2 4.02Å; N255-Y261 HydrophobicContact CB-CE2 3.8Å; D257-Y261 WeakPolarHBondContact OD2-CE2 3.43Å; D257-Y261 PolarHBondContact OD2-OH 2.76Å; N259-Y261 HydrophobicContact CB-CE2 4.08Å; N259-Y261 PolarHBondContact ND2-OH 3.1Å; Y261-F263 HydrophobicContact CG-CE2 4.45Å; Y261-P271 HydrophobicContact CD1-CB 4.14Å; Y261-P271 HydrophobicContact CD1-CG 3.82Å; Y261-V274 HydrophobicContact CD1-CB 4.38Å; Y261-V274 HydrophobicContact CD1-CG1 4.08Å; Y261-V274 HydrophobicContact CD1-CG2 3.85Å; Y261-V274 HydrophobicContact CE1-CB 4.22Å; Y261-V274 HydrophobicContact CE1-CG1 3.57Å; Y261-V274 HydrophobicContact CE1-CG2 3.74Å; Y261-H436 HydrophobicContact CE1-CB 3.9Å; Y261-H436 AromaticContact CE1-CD2 3.65Å; Y261-H436 AromaticContact CE1-CG 3.72Å; Y261-H436 AromaticContact CZ-CD2 3.92Å; Y261-H436 AromaticContact CZ-CG 3.65Å; Y261-H436 AromaticContact CZ-ND1 3.91Å; Y261-H436 PolarHBondContact OH-CD2 3.47Å; Y261-H436 PolarHBondContact OH-CE1 3.16Å; Y261-H436 PolarHBondContact OH-ND1 3Å; Y261-H436 PolarHBondContact OH-NE2 3.13Å
262	S	97.5	Very high	96.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.4	168.9	-56.4	0	0	0	0	109.5	F251 T252 P271 F272 K273 H275	F251-S262 CarbonylContact O-C 3.59Å; F251-S262 WeakPolarHBondContact O-CA 3.2Å; T252-S262 WeakPolarHBondContact CG2-OG 3.41Å; S262-P271 CarbonylContact O-C 3.59Å; S262-P271 VanDerWaalsContact O-CA 3.3Å; S262-P271 WeakPolarHBondContact O-CA 3.3Å; S262-P271 WeakPolarHBondContact O-CB 3.47Å; S262-F272 VanDerWaalsContact O-CD1 3.24Å; S262-F272 WeakPolarHBondContact O-CD1 3.39Å; S262-F272 PolarHBondContact O-N 3.02Å; S262-K273 PolarHBondContact N-O 3.29Å; S262-K273 PolarHBondContact O-N 3.29Å; S262-H275 PolarHBondContact OG-NE2 2.91Å
263	F	97.1	Very high	96	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.2	177	-73.8	-82.1	0	0	0	110.8	I218 M234 V250 F251 V253 Y261 L268 P271 V437	I218-F263 HydrophobicContact CD1-CD2 4.46Å; I218-F263 HydrophobicContact CD1-CE2 3.96Å; M234-F263 HydrophobicContact SD-CE2 4.39Å; V250-F263 WeakPolarHBondContact CA-O 3.21Å; F251-F263 HydrophobicContact CD1-CB 4.39Å; F251-F263 HydrophobicContact CD2-CB 4.25Å; F251-F263 HydrophobicContact CE1-CB 3.86Å; F251-F263 HydrophobicContact CE2-CB 3.7Å; F251-F263 AromaticContact CE2-CD2 3.81Å; F251-F263 HydrophobicContact CE2-CD2 3.81Å; F251-F263 HydrophobicContact CE2-CG 4.08Å; F251-F263 HydrophobicContact CZ-CB 3.49Å; F251-F263 VanDerWaalsContact CZ-CB 3.49Å; F251-F263 HydrophobicContact CZ-CD2 4.27Å; F251-F263 HydrophobicContact CZ-CG 4.08Å; F251-F263 PolarHBondContact N-O 2.71Å; F251-F263 VanDerWaalsContact N-O 3.17Å; F251-F263 PolarHBondContact O-N 3.28Å; V253-F263 HydrophobicContact CG2-CD2 4.33Å; Y261-F263 HydrophobicContact CG-CE2 4.45Å; F263-L268 HydrophobicContact CB-CD2 4.28Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; F263-P271 HydrophobicContact CD1-CB 4.01Å; F263-P271 HydrophobicContact CE1-CB 3.77Å; F263-P271 HydrophobicContact CE1-CG 4.19Å; F263-P271 HydrophobicContact CE2-CB 4.3Å; F263-P271 HydrophobicContact CG-CB 4.38Å; F263-P271 HydrophobicContact CZ-CB 3.92Å; F263-P271 HydrophobicContact CZ-CG 4.24Å; F263-V437 HydrophobicContact CE1-CG2 3.94Å; F263-V437 HydrophobicContact CZ-CG2 4.02Å
264	D	96.2	Very high	96	Very high	46 Å²	46	39.6 Å²	39.6	25%	0.246	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	123.5	159.7	-178.2	-15.8	0	0	0	106.5	F249 R266 R267	F249-D264 CarbonylContact O-C 3.58Å; F249-D264 WeakPolarHBondContact O-CA 3.32Å; D264-R266 PolarHBondContact O-N 3.13Å; D264-R266 WeakPolarHBondContact OD1-CB 3.45Å; D264-R266 PolarHBondContact OD1-N 2.82Å; D264-R267 CarbonylContact O-C 3.52Å; D264-R267 PolarHBondContact O-N 2.76Å; D264-R267 VanDerWaalsContact O-O 3.07Å
265	M	94.6	Very high	96	Very high	38 Å²	38	39.6 Å²	39.6	19%	0.187	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.4	-178.1	70.7	176	-71.7	0	0	113.1	I208 L220 W243 F249 F251	I208-M265 HydrophobicContact CD1-CE 4.03Å; I208-M265 HydrophobicContact CG2-CE 4.35Å; L220-M265 HydrophobicContact CD1-CB 4Å; W243-M265 HydrophobicContact CH2-CB 4.44Å; W243-M265 HydrophobicContact CZ3-CB 4.4Å; W243-M265 HydrophobicContact CZ3-SD 4.3Å; F249-M265 HydrophobicContact CB-CG 3.66Å; F249-M265 HydrophobicContact CB-SD 3.97Å; F249-M265 PolarHBondContact O-N 2.84Å; F251-M265 HydrophobicContact CD1-CB 4.45Å; F251-M265 HydrophobicContact CE1-CB 4.07Å
266	R	94.3	Very high	95.9	Very high	182 Å²	182	41.3 Å²	41.3	69%	0.687	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-19.4	-180	-56.7	169.5	-175.9	173.3	0.4	112.4	D264	D264-R266 PolarHBondContact O-N 3.13Å; D264-R266 WeakPolarHBondContact OD1-CB 3.45Å; D264-R266 PolarHBondContact OD1-N 2.82Å
267	R	93.9	Very high	95.8	Very high	141 Å²	141	39 Å²	39	53%	0.532	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-139.5	89.5	-179.2	-177.2	-177.7	174.6	162.8	-1.3	109.6	D264 E270	D264-R267 CarbonylContact O-C 3.52Å; D264-R267 PolarHBondContact O-N 2.76Å; D264-R267 VanDerWaalsContact O-O 3.07Å; R267-E270 IonicContact CZ-OE1 3.51Å; R267-E270 IonicContact NE-OE1 3.53Å; R267-E270 IonicContact NH2-OE1 2.77Å; R267-E270 PolarHBondContact NH2-OE1 2.77Å
268	L	93.6	Very high	95.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	17%	0.173	C	C	.	.			trans	-91.8	-17.7	-174.4	-67.3	172.1	0	0	0	114.4	L220 R230 V232 F251 F263 E270 E440	L220-L268 HydrophobicContact CD1-CD1 3.79Å; L220-L268 HydrophobicContact CG-CD1 4.48Å; R230-L268 HydrophobicContact CB-CD1 3.7Å; R230-L268 HydrophobicContact CG-CD1 4Å; V232-L268 HydrophobicContact CG2-CB 3.47Å; V232-L268 VanDerWaalsContact CG2-CB 3.47Å; V232-L268 HydrophobicContact CG2-CD1 3.57Å; V232-L268 HydrophobicContact CG2-CD2 4.03Å; V232-L268 HydrophobicContact CG2-CG 3.87Å; F251-L268 HydrophobicContact CE1-CD2 4.03Å; F251-L268 HydrophobicContact CZ-CD2 3.76Å; F263-L268 HydrophobicContact CB-CD2 4.28Å; F263-L268 HydrophobicContact CD1-CD2 4.39Å; L268-E270 PolarHBondContact O-N 2.73Å; L268-E440 HydrophobicContact CB-CG 4.42Å
269	S	92.4	Very high	95.9	Very high	53 Å²	53	34.9 Å²	34.9	37%	0.371	16%	0.162	S	C	.	.	S	Bend	trans	-47.8	-29.8	174.1	57.9	0	0	0	0	115.5	E440	S269-E440 WeakPolarHBondContact CA-OE2 3.26Å; S269-E440 PolarHBondContact N-OE2 3.25Å
270	E	93.3	Very high	96	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.145	17%	0.169	C	C	.	.	S	Bend	trans	-151	144	172	72.8	-171.5	138.9	0	0	112.8	R267 L268 K434	R267-E270 IonicContact CZ-OE1 3.51Å; R267-E270 IonicContact NE-OE1 3.53Å; R267-E270 IonicContact NH2-OE1 2.77Å; R267-E270 PolarHBondContact NH2-OE1 2.77Å; L268-E270 PolarHBondContact O-N 2.73Å; E270-K434 HydrophobicContact CB-CG 3.87Å; E270-K434 WeakPolarHBondContact OE1-CE 3.5Å; E270-K434 WeakPolarHBondContact OE2-CE 3.36Å; E270-K434 WeakPolarHBondContact OE2-CG 3.3Å
271	P	95.8	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.176	C	C	.	.			trans	-67.9	134.2	171.1	28.6	-33.7	0	0	0	109.9	Y261 S262 F263 K273 V274 R433	Y261-P271 HydrophobicContact CD1-CB 4.14Å; Y261-P271 HydrophobicContact CD1-CG 3.82Å; S262-P271 CarbonylContact O-C 3.59Å; S262-P271 VanDerWaalsContact O-CA 3.3Å; S262-P271 WeakPolarHBondContact O-CA 3.3Å; S262-P271 WeakPolarHBondContact O-CB 3.47Å; F263-P271 HydrophobicContact CD1-CB 4.01Å; F263-P271 HydrophobicContact CE1-CB 3.77Å; F263-P271 HydrophobicContact CE1-CG 4.19Å; F263-P271 HydrophobicContact CE2-CB 4.3Å; F263-P271 HydrophobicContact CG-CB 4.38Å; F263-P271 HydrophobicContact CZ-CB 3.92Å; F263-P271 HydrophobicContact CZ-CG 4.24Å; P271-K273 PolarHBondContact O-N 3.46Å; P271-V274 HydrophobicContact CG-CG2 4.18Å; P271-R433 WeakPolarHBondContact CD-O 3.31Å; P271-R433 HydrophobicContact CG-CB 4.34Å; P271-R433 WeakPolarHBondContact CG-O 3.25Å; P271-R433 WeakPolarHBondContact O-CD 3.16Å
272	F	94.8	Very high	96	Very high	67 Å²	67	36.6 Å²	36.6	29%	0.294	18%	0.176	S	C	.	.	S	Bend	trans	-70.9	-22.8	176.2	75.9	-93.9	0	0	0	111.8	V250 S262 R433	V250-F272 HydrophobicContact CG1-CE1 3.8Å; V250-F272 HydrophobicContact CG1-CZ 3.91Å; V250-F272 HydrophobicContact CG2-CE1 4.24Å; S262-F272 VanDerWaalsContact O-CD1 3.24Å; S262-F272 WeakPolarHBondContact O-CD1 3.39Å; S262-F272 PolarHBondContact O-N 3.02Å; F272-R433 PolarHBondContact O-NH1 3.35Å
273	K	95.9	Very high	96	Very high	51 Å²	51	38.6 Å²	38.6	22%	0.222	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.1	175.1	-158.1	75.7	-175.8	-162.4	0	112.4	S262 P271 N309	S262-K273 PolarHBondContact N-O 3.29Å; S262-K273 PolarHBondContact O-N 3.29Å; P271-K273 PolarHBondContact O-N 3.46Å; K273-N309 VanDerWaalsContact CE-O 3.26Å; K273-N309 WeakPolarHBondContact CE-O 3.26Å; K273-N309 PolarHBondContact NZ-O 3.49Å
274	V	97	Very high	96.1	Very high	27 Å²	27	39 Å²	39	16%	0.164	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.6	168.2	-173.8	0	0	0	0	108	N259 Y261 P271 V276 G311 R433	N259-V274 HydrophobicContact CB-CG1 4.18Å; Y261-V274 HydrophobicContact CD1-CB 4.38Å; Y261-V274 HydrophobicContact CD1-CG1 4.08Å; Y261-V274 HydrophobicContact CD1-CG2 3.85Å; Y261-V274 HydrophobicContact CE1-CB 4.22Å; Y261-V274 HydrophobicContact CE1-CG1 3.57Å; Y261-V274 HydrophobicContact CE1-CG2 3.74Å; P271-V274 HydrophobicContact CG-CG2 4.18Å; V274-V276 HydrophobicContact CG1-CG1 3.91Å; V274-G311 WeakPolarHBondContact O-CA 3.35Å; V274-R433 HydrophobicContact CG2-CG 4.15Å
275	H	97.8	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.9	179.9	-57.4	-79.6	0	0	0	109.4	N259 L260 S262 F294 F306 Q308 A310 G311	N259-H275 WeakPolarHBondContact CA-O 3.45Å; N259-H275 WeakPolarHBondContact CB-O 3.31Å; L260-H275 HydrophobicContact CB-CB 4Å; L260-H275 HydrophobicContact CD1-CB 4.05Å; L260-H275 PolarHBondContact N-O 3.47Å; L260-H275 PolarHBondContact O-N 2.84Å; S262-H275 PolarHBondContact OG-NE2 2.91Å; H275-F294 HydrophobicContact CB-CZ 4.34Å; H275-F294 AromaticContact CD2-CZ 3.52Å; H275-F294 AromaticContact CE1-CE1 3.6Å; H275-F294 AromaticContact CE1-CZ 3.59Å; H275-F294 AromaticContact CG-CZ 3.61Å; H275-F294 AromaticContact ND1-CZ 3.69Å; H275-F294 AromaticContact NE2-CE1 3.6Å; H275-F294 AromaticContact NE2-CZ 3.5Å; H275-F294 WeakPolarHBondContact NE2-CZ 3.26Å; H275-F306 HydrophobicContact CB-CD1 3.96Å; H275-F306 HydrophobicContact CB-CE1 3.96Å; H275-Q308 PolarHBondContact CE1-O 3.1Å; H275-A310 PolarHBondContact CE1-O 2.71Å; H275-A310 PolarHBondContact ND1-O 2.65Å; H275-G311 CarbonylContact C-O 3.58Å; H275-G311 WeakPolarHBondContact CA-O 3.18Å
276	V	95.5	Very high	96.3	Very high	37 Å²	37	36.7 Å²	36.7	22%	0.224	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127	-172.8	-58.7	0	0	0	0	108.9	V274 G311	V274-V276 HydrophobicContact CG1-CG1 3.91Å; V276-G311 PolarHBondContact N-O 2.65Å
277	D	96.3	Very high	96.5	Very high	24 Å²	24	28.2 Å²	28.2	13%	0.128	15%	0.145	C	C	.	.			trans	179.2	-19.8	163.3	-100.1	-37.6	0	0	0	112.2	R304 F306 S313 K401	D277-R304 PolarHBondContact O-NE 3.04Å; D277-R304 PolarHBondContact O-NH2 3.13Å; D277-F306 HydrophobicContact CB-CE1 4.33Å; D277-F306 HydrophobicContact CB-CZ 4.08Å; D277-S313 WeakPolarHBondContact OD2-CB 3.32Å; D277-S313 PolarHBondContact OD2-N 2.9Å; D277-S313 PolarHBondContact OD2-OG 3.04Å; D277-K401 IonicContact OD1-NZ 3.78Å; D277-K401 PolarHBondContact OD1-NZ 3.46Å
278	H	98	Very high	96.7	Very high	3 Å²	3	21.5 Å²	21.5	1%	0.014	12%	0.119	C	C	.	.			trans	-65.7	154.2	173.4	-65.8	-75.1	0	0	0	112.3	Y258 V282 S296 S298 D300 R304 F306	Y258-H278 WeakPolarHBondContact O-CB 2.92Å; H278-V282 HydrophobicContact CB-CG2 4.04Å; H278-V282 VanDerWaalsContact CD2-CG2 3.44Å; H278-V282 WeakPolarHBondContact CD2-CG2 3.45Å; H278-S296 PolarHBondContact NE2-OG 3.19Å; H278-S298 WeakPolarHBondContact CE1-CB 3.47Å; H278-S298 WeakPolarHBondContact ND1-CB 3.45Å; H278-D300 IonicContact ND1-OD1 2.71Å; H278-R304 PolarHBondContact ND1-NH1 2.83Å; H278-F306 AromaticContact NE2-CE2 3.98Å
279	V	97.5	Very high	96.8	Very high	18 Å²	18	22.9 Å²	22.9	11%	0.109	13%	0.128	C	C	.	.	S	Bend	trans	-112.5	-17.2	-175	-179.5	0	0	0	0	111.7	Y258 D300 V397 A400 K401 L404	Y258-V279 WeakPolarHBondContact CD2-O 3.46Å; V279-D300 HydrophobicContact CB-CB 4.33Å; V279-D300 PolarHBondContact N-OD2 3.36Å; V279-V397 HydrophobicContact CG2-CG1 3.99Å; V279-A400 HydrophobicContact CG1-CB 3.22Å; V279-K401 HydrophobicContact CG2-CB 4.02Å; V279-L404 HydrophobicContact CB-CD1 4.12Å; V279-L404 HydrophobicContact CG1-CD1 3.84Å; V279-L404 HydrophobicContact CG2-CD1 4.35Å
280	S	97.6	Very high	97	Very high	31 Å²	31	22.9 Å²	22.9	22%	0.217	13%	0.126	C	C	.	.	S	Bend	trans	-134.5	-178.8	174.1	-163.9	0	0	0	0	109.7	Y258 V282	Y258-S280 WeakPolarHBondContact CA-O 3.49Å; Y258-S280 WeakPolarHBondContact CB-O 3.22Å; Y258-S280 VanDerWaalsContact CD1-CA 3.43Å; Y258-S280 VanDerWaalsContact CD1-O 3.29Å; Y258-S280 WeakPolarHBondContact CD1-O 3.38Å; S280-V282 PolarHBondContact O-N 2.84Å
281	A	97.9	Very high	97.2	Very high	17 Å²	17	21.4 Å²	21.4	14%	0.14	12%	0.119	C	C	.	.			trans	-55	133.9	-177.2	0	0	0	0	0	111.2	Y258 M283 S298 Y299	Y258-A281 VanDerWaalsContact CD1-N 3.26Å; A281-M283 HydrophobicContact CB-SD 4.49Å; A281-S298 WeakPolarHBondContact O-CA 3.5Å; A281-S298 PolarHBondContact O-OG 3.17Å; A281-Y299 WeakPolarHBondContact O-CB 3.5Å; A281-Y299 PolarHBondContact O-N 2.79Å
282	V	98.5	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	121.9	175.1	-169.1	0	0	0	0	107.4	N239 A254 N255 L260 H278 S280 G297	N239-V282 WeakPolarHBondContact CB-O 3.4Å; N239-V282 PolarHBondContact ND2-O 3.07Å; A254-V282 HydrophobicContact CB-CB 3.74Å; A254-V282 HydrophobicContact CB-CG1 3.52Å; N255-V282 PolarHBondContact O-N 3.46Å; L260-V282 HydrophobicContact CD2-CG1 3.88Å; L260-V282 HydrophobicContact CG-CG1 4.18Å; L260-V282 HydrophobicContact CG-CG2 4.38Å; H278-V282 HydrophobicContact CB-CG2 4.04Å; H278-V282 VanDerWaalsContact CD2-CG2 3.44Å; H278-V282 WeakPolarHBondContact CD2-CG2 3.45Å; S280-V282 PolarHBondContact O-N 2.84Å; V282-G297 WeakPolarHBondContact CG1-O 3.42Å
283	M	97.8	Very high	97.4	Very high	42 Å²	42	29.3 Å²	29.3	21%	0.207	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-43.2	-174.1	-61.7	-52.5	-55.6	0	0	111.5	S240 A281 G297 Y299 V325 M326	S240-M283 WeakPolarHBondContact CB-O 3.23Å; A281-M283 HydrophobicContact CB-SD 4.49Å; M283-G297 PolarHBondContact N-O 3.06Å; M283-Y299 HydrophobicContact CG-CD2 4.45Å; M283-Y299 HydrophobicContact SD-CD2 4.03Å; M283-V325 WeakPolarHBondContact CB-O 3.47Å; M283-V325 WeakPolarHBondContact CG-O 3.32Å; M283-M326 HydrophobicContact CE-CE 3.75Å; M283-M326 HydrophobicContact CE-SD 4.35Å; M283-M326 HydrophobicContact CG-SD 4.4Å
284	D	98.3	Very high	97.5	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.053	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.1	-173.2	-162.2	26.3	0	0	0	113.4	S240 S296 G297 V327 V328	S240-D284 WeakPolarHBondContact CB-OD1 3.44Å; S240-D284 PolarHBondContact OG-OD1 3.03Å; D284-S296 CarbonylContact O-C 3.51Å; D284-S296 VanDerWaalsContact O-CA 3.25Å; D284-S296 WeakPolarHBondContact O-CA 3.44Å; D284-G297 PolarHBondContact N-O 3.13Å; D284-G297 PolarHBondContact O-N 3.19Å; D284-V327 WeakPolarHBondContact OD2-CA 3.28Å; D284-V327 VanDerWaalsContact OD2-CG2 3.23Å; D284-V327 WeakPolarHBondContact OD2-CG2 3.38Å; D284-V328 PolarHBondContact OD2-N 2.53Å; D284-V328 VanDerWaalsContact OD2-O 3.14Å
285	V	98.3	Very high	97.6	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.03	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	138.3	179.8	-163.3	0	0	0	0	109.2	A242 T252 A254 L260 F294 V295	A242-V285 HydrophobicContact CB-CB 4.21Å; A242-V285 HydrophobicContact CB-CG1 4.31Å; A242-V285 WeakPolarHBondContact CB-O 3.43Å; T252-V285 WeakPolarHBondContact OG1-CG1 3.37Å; A254-V285 HydrophobicContact CB-CG2 3.29Å; L260-V285 HydrophobicContact CD2-CB 4.28Å; L260-V285 HydrophobicContact CD2-CG1 4.01Å; L260-V285 HydrophobicContact CD2-CG2 3.24Å; V285-F294 HydrophobicContact CG1-CB 4.43Å; V285-F294 HydrophobicContact CG1-CD2 3.73Å; V285-F294 HydrophobicContact CG1-CE2 4.42Å; V285-F294 HydrophobicContact CG1-CG 4.4Å; V285-V295 VanDerWaalsContact CA-O 3.31Å; V285-V295 WeakPolarHBondContact CA-O 3.37Å; V285-V295 WeakPolarHBondContact CG1-O 3.46Å
286	D	98.4	Very high	97.6	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.1	168.6	-166.2	12.4	0	0	0	110.3	K74 F294 V295 S329 W330	K74-D286 IonicContact NZ-OD1 2.67Å; K74-D286 IonicContact NZ-OD2 3.51Å; K74-D286 PolarHBondContact NZ-OD2 3.12Å; D286-F294 CarbonylContact O-C 3.53Å; D286-F294 WeakPolarHBondContact O-CA 3.29Å; D286-F294 WeakPolarHBondContact O-CB 3.5Å; D286-V295 HydrophobicContact CB-CG1 4.18Å; D286-V295 PolarHBondContact N-O 3.24Å; D286-V295 PolarHBondContact O-N 3.23Å; D286-S329 WeakPolarHBondContact OD2-CA 3.32Å; D286-S329 PolarHBondContact OD2-OG 3.32Å; D286-W330 PolarHBondContact OD2-N 3.05Å
287	Y	98.1	Very high	97.8	Very high	5 Å²	5	23.9 Å²	23.9	2%	0.02	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	146.3	178.8	-94.3	-89.1	0	0	0	111.2	A242 W243 N244 T252 F294 W330	A242-Y287 HydrophobicContact CB-CD2 3.84Å; A242-Y287 HydrophobicContact CB-CE2 4.36Å; A242-Y287 WeakPolarHBondContact O-CE2 3.3Å; W243-Y287 WeakPolarHBondContact O-CD2 3.36Å; N244-Y287 HydrophobicContact CB-CD1 4.26Å; N244-Y287 HydrophobicContact CB-CE1 3.86Å; N244-Y287 HydrophobicContact CB-CE2 4.28Å; T252-Y287 HydrophobicContact CG2-CE2 3.91Å; T252-Y287 WeakPolarHBondContact CG2-OH 3.23Å; T252-Y287 WeakPolarHBondContact OG1-CE2 3.4Å; Y287-F294 HydrophobicContact CD1-CB 3.89Å; Y287-F294 HydrophobicContact CD2-CB 4.34Å; Y287-F294 HydrophobicContact CE1-CB 4.13Å; Y287-F294 HydrophobicContact CE1-CD1 4.14Å; Y287-F294 HydrophobicContact CG-CB 4.01Å; Y287-W330 WeakPolarHBondContact O-CB 3.5Å
288	S	97.5	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.114	C	C	.	.			trans	-60.1	145.5	159.8	66.2	0	0	0	0	109.4	P245 T290 G291 E293 N334	P245-S288 VanDerWaalsContact CG-O 3.27Å; P245-S288 WeakPolarHBondContact CG-O 3.34Å; S288-T290 PolarHBondContact O-N 2.86Å; S288-T290 PolarHBondContact OG-OG1 3.23Å; S288-T290 VanDerWaalsContact OG-OG1 3.13Å; S288-G291 PolarHBondContact O-N 2.94Å; S288-G291 PolarHBondContact OG-N 3.4Å; S288-E293 VanDerWaalsContact CB-O 3.23Å; S288-E293 WeakPolarHBondContact CB-O 3.29Å; S288-E293 PolarHBondContact N-O 2.82Å; S288-E293 PolarHBondContact OG-N 2.88Å; S288-E293 PolarHBondContact OG-O 2.75Å; S288-N334 VanDerWaalsContact CB-OD1 3.31Å; S288-N334 WeakPolarHBondContact CB-OD1 3.25Å
289	P	96.3	Very high	97.8	Very high	30 Å²	30	26.7 Å²	26.7	20%	0.195	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-17.7	176.9	26.9	-36	0	0	0	112.4	M246 L332 N334	M246-P289 WeakPolarHBondContact CE-O 3.4Å; P289-L332 WeakPolarHBondContact CG-O 3.14Å; P289-N334 HydrophobicContact CG-CB 3.77Å
290	T	97.1	Very high	97.8	Very high	52 Å²	52	26.4 Å²	26.4	32%	0.319	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-8.1	174.1	63.7	0	0	0	0	114.5	M246 S288 R292 N334	M246-T290 WeakPolarHBondContact CG-O 3.22Å; S288-T290 PolarHBondContact O-N 2.86Å; S288-T290 PolarHBondContact OG-OG1 3.23Å; S288-T290 VanDerWaalsContact OG-OG1 3.13Å; T290-R292 PolarHBondContact O-N 3.44Å; T290-N334 HydrophobicContact CG2-CB 4.41Å; T290-N334 VanDerWaalsContact CG2-ND2 3.3Å; T290-N334 WeakPolarHBondContact CG2-ND2 3.26Å
291	G	96.7	Very high	97.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	73.7	-17.8	-178.3	0	0	0	0	0	116.2	N244 S288 E293 Q308	N244-G291 PolarHBondContact ND2-O 2.75Å; N244-G291 WeakPolarHBondContact OD1-CA 3.4Å; S288-G291 PolarHBondContact O-N 2.94Å; S288-G291 PolarHBondContact OG-N 3.4Å; G291-E293 VanDerWaalsContact C-N 3.35Å; G291-E293 PolarHBondContact O-N 3.05Å; G291-Q308 PolarHBondContact O-OE1 3.17Å
292	R	97.1	Very high	97.7	Very high	194 Å²	194	27.3 Å²	27.3	73%	0.732	12%	0.124	S	C	*	.	S	Bend	trans	-73.2	-26	-173	-63.8	179.6	-179.1	-179.9	0.1	114.4	T290 Q308	T290-R292 PolarHBondContact O-N 3.44Å; R292-Q308 WeakPolarHBondContact O-CB 3.48Å; R292-Q308 PolarHBondContact O-N 3.29Å
293	E	97.9	Very high	97.7	Very high	39 Å²	39	27.3 Å²	27.3	18%	0.182	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	157.9	-179.3	-57.6	-171.5	148.7	0	0	109.9	S288 G291 F306 R314 W330	S288-E293 VanDerWaalsContact CB-O 3.23Å; S288-E293 WeakPolarHBondContact CB-O 3.29Å; S288-E293 PolarHBondContact N-O 2.82Å; S288-E293 PolarHBondContact OG-N 2.88Å; S288-E293 PolarHBondContact OG-O 2.75Å; G291-E293 VanDerWaalsContact C-N 3.35Å; G291-E293 PolarHBondContact O-N 3.05Å; E293-F306 CarbonylContact C-O 3.58Å; E293-F306 VanDerWaalsContact CA-O 3.23Å; E293-F306 WeakPolarHBondContact CA-O 3.38Å; E293-F306 WeakPolarHBondContact CB-O 3.31Å; E293-R314 IonicContact OE1-CZ 2.85Å; E293-R314 IonicContact OE1-NH1 3.47Å; E293-R314 PolarHBondContact OE1-NH1 3.34Å; E293-R314 IonicContact OE2-CZ 2.66Å; E293-R314 IonicContact OE2-NH1 3.74Å; E293-R314 PolarHBondContact OE2-NH1 3.25Å; E293-W330 HydrophobicContact CB-CH2 3.77Å; E293-W330 HydrophobicContact CB-CZ3 4.13Å; E293-W330 WeakPolarHBondContact OE2-CH2 3.26Å
294	F	98.4	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158	171	62.8	-91.1	0	0	0	109.5	T252 L260 H275 V285 D286 Y287 F306	T252-F294 HydrophobicContact CG2-CD1 4.25Å; T252-F294 HydrophobicContact CG2-CE1 4.08Å; T252-F294 HydrophobicContact CG2-CZ 4.26Å; L260-F294 HydrophobicContact CD1-CE2 4.18Å; L260-F294 HydrophobicContact CD2-CE2 4.18Å; H275-F294 HydrophobicContact CB-CZ 4.34Å; H275-F294 AromaticContact CD2-CZ 3.52Å; H275-F294 AromaticContact CE1-CE1 3.6Å; H275-F294 AromaticContact CE1-CZ 3.59Å; H275-F294 AromaticContact CG-CZ 3.61Å; H275-F294 AromaticContact ND1-CZ 3.69Å; H275-F294 AromaticContact NE2-CE1 3.6Å; H275-F294 AromaticContact NE2-CZ 3.5Å; H275-F294 WeakPolarHBondContact NE2-CZ 3.26Å; V285-F294 HydrophobicContact CG1-CB 4.43Å; V285-F294 HydrophobicContact CG1-CD2 3.73Å; V285-F294 HydrophobicContact CG1-CE2 4.42Å; V285-F294 HydrophobicContact CG1-CG 4.4Å; D286-F294 CarbonylContact O-C 3.53Å; D286-F294 WeakPolarHBondContact O-CA 3.29Å; D286-F294 WeakPolarHBondContact O-CB 3.5Å; Y287-F294 HydrophobicContact CD1-CB 3.89Å; Y287-F294 HydrophobicContact CD2-CB 4.34Å; Y287-F294 HydrophobicContact CE1-CB 4.13Å; Y287-F294 HydrophobicContact CE1-CD1 4.14Å; Y287-F294 HydrophobicContact CG-CB 4.01Å; F294-F306 HydrophobicContact CD1-CB 4.27Å; F294-F306 HydrophobicContact CD2-CB 4.12Å; F294-F306 HydrophobicContact CD2-CD2 4.48Å; F294-F306 HydrophobicContact CE1-CB 3.69Å; F294-F306 HydrophobicContact CE2-CB 3.53Å; F294-F306 AromaticContact CE2-CD2 3.79Å; F294-F306 HydrophobicContact CE2-CD2 3.79Å; F294-F306 AromaticContact CE2-CG 3.86Å; F294-F306 HydrophobicContact CE2-CG 3.86Å; F294-F306 HydrophobicContact CG-CB 4.45Å; F294-F306 HydrophobicContact CZ-CB 3.28Å; F294-F306 HydrophobicContact CZ-CD2 4.25Å; F294-F306 AromaticContact CZ-CG 3.84Å; F294-F306 HydrophobicContact CZ-CG 3.84Å; F294-F306 PolarHBondContact N-O 3.46Å; F294-F306 PolarHBondContact O-N 3.21Å
295	V	98.6	Very high	97.8	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	148.9	178	66.6	0	0	0	0	109	V285 D286 I303 R304 I305 V328 W330 I337	V285-V295 VanDerWaalsContact CA-O 3.31Å; V285-V295 WeakPolarHBondContact CA-O 3.37Å; V285-V295 WeakPolarHBondContact CG1-O 3.46Å; D286-V295 HydrophobicContact CB-CG1 4.18Å; D286-V295 PolarHBondContact N-O 3.24Å; D286-V295 PolarHBondContact O-N 3.23Å; V295-I303 HydrophobicContact CG2-CG2 3.32Å; V295-R304 CarbonylContact C-O 3.55Å; V295-R304 WeakPolarHBondContact CA-O 3.48Å; V295-I305 HydrophobicContact CG2-CG1 4.15Å; V295-V328 HydrophobicContact CB-CG1 4.12Å; V295-V328 HydrophobicContact CG1-CB 4.32Å; V295-V328 HydrophobicContact CG1-CG1 3.35Å; V295-V328 HydrophobicContact CG2-CG1 3.65Å; V295-W330 HydrophobicContact CB-CE3 3.75Å; V295-W330 HydrophobicContact CB-CZ3 3.96Å; V295-W330 HydrophobicContact CG1-CE3 3.82Å; V295-I337 HydrophobicContact CB-CD1 4.19Å; V295-I337 HydrophobicContact CG1-CG2 4.33Å; V295-I337 HydrophobicContact CG2-CD1 3.9Å; V295-I337 HydrophobicContact CG2-CG1 4.47Å; V295-I337 HydrophobicContact CG2-CG2 3.89Å
296	S	98.6	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.1	177.1	54.2	0	0	0	0	111	H278 D284 I303 R304 F306	H278-S296 PolarHBondContact NE2-OG 3.19Å; D284-S296 CarbonylContact O-C 3.51Å; D284-S296 VanDerWaalsContact O-CA 3.25Å; D284-S296 WeakPolarHBondContact O-CA 3.44Å; S296-I303 CarbonylContact O-C 3.6Å; S296-I303 WeakPolarHBondContact O-CA 3.41Å; S296-R304 PolarHBondContact N-O 3.42Å; S296-R304 PolarHBondContact O-N 2.89Å; S296-R304 PolarHBondContact OG-O 2.8Å; S296-R304 VanDerWaalsContact OG-O 3.09Å; S296-F306 VanDerWaalsContact OG-CE2 3.3Å; S296-F306 WeakPolarHBondContact OG-CE2 3.45Å
297	G	98	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.9	172.6	0	0	0	0	0	110.1	V282 M283 D284 V328	V282-G297 WeakPolarHBondContact CG1-O 3.42Å; M283-G297 PolarHBondContact N-O 3.06Å; D284-G297 PolarHBondContact N-O 3.13Å; D284-G297 PolarHBondContact O-N 3.19Å; G297-V328 VanDerWaalsContact CA-CG2 3.44Å
298	S	98.1	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	155.9	-177.3	152.4	0	0	0	0	111.8	H278 A281 D300 K301 T302 V325	H278-S298 WeakPolarHBondContact CE1-CB 3.47Å; H278-S298 WeakPolarHBondContact ND1-CB 3.45Å; A281-S298 WeakPolarHBondContact O-CA 3.5Å; A281-S298 PolarHBondContact O-OG 3.17Å; S298-D300 WeakPolarHBondContact CB-OD1 3.42Å; S298-D300 PolarHBondContact O-N 2.73Å; S298-D300 PolarHBondContact OG-N 2.63Å; S298-D300 PolarHBondContact OG-OD1 3.12Å; S298-K301 PolarHBondContact O-N 3.37Å; S298-T302 PolarHBondContact N-O 3.21Å; S298-T302 VanDerWaalsContact N-O 3.12Å; S298-V325 PolarHBondContact O-N 3.06Å
299	Y	97.6	Very high	97.5	Very high	87 Å²	87	31.1 Å²	31.1	34%	0.341	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.1	174.8	-158.7	-95.2	0	0	0	112.8	A281 M283 K301 R324	A281-Y299 WeakPolarHBondContact O-CB 3.5Å; A281-Y299 PolarHBondContact O-N 2.79Å; M283-Y299 HydrophobicContact CG-CD2 4.45Å; M283-Y299 HydrophobicContact SD-CD2 4.03Å; Y299-K301 PolarHBondContact O-N 2.69Å; Y299-K301 VanDerWaalsContact O-N 3.13Å; Y299-R324 HydrophobicContact CD1-CG 4.27Å; Y299-R324 HydrophobicContact CD2-CB 4.24Å; Y299-R324 HydrophobicContact CD2-CG 3.98Å; Y299-R324 HydrophobicContact CE1-CG 4.28Å; Y299-R324 VanDerWaalsContact CE2-CD 3.45Å; Y299-R324 HydrophobicContact CE2-CG 4Å; Y299-R324 HydrophobicContact CG-CG 4.16Å; Y299-R324 PolarHBondContact OH-NE 3.25Å; Y299-R324 PolarHBondContact OH-NH1 2.65Å; Y299-R324 VanDerWaalsContact OH-NH1 3.12Å; Y299-R324 PolarHBondContact OH-NH2 2.73Å
300	D	96.6	Very high	97.5	Very high	12 Å²	12	31.3 Å²	31.3	6%	0.064	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	11	173.4	74.6	-10.2	0	0	0	114.4	H278 V279 S298 T302 R304	H278-D300 IonicContact ND1-OD1 2.71Å; V279-D300 HydrophobicContact CB-CB 4.33Å; V279-D300 PolarHBondContact N-OD2 3.36Å; S298-D300 WeakPolarHBondContact CB-OD1 3.42Å; S298-D300 PolarHBondContact O-N 2.73Å; S298-D300 PolarHBondContact OG-N 2.63Å; S298-D300 PolarHBondContact OG-OD1 3.12Å; D300-T302 VanDerWaalsContact C-N 3.34Å; D300-T302 PolarHBondContact OD1-N 3.4Å; D300-T302 PolarHBondContact OD1-OG1 2.88Å; D300-T302 PolarHBondContact OD2-OG1 3.35Å; D300-R304 IonicContact OD1-NH1 3.59Å; D300-R304 IonicContact OD2-CZ 2.86Å; D300-R304 IonicContact OD2-NH1 3.32Å; D300-R304 PolarHBondContact OD2-NH1 2.6Å; D300-R304 IonicContact OD2-NH2 2.94Å
301	K	96.9	Very high	97.4	Very high	66 Å²	66	29.7 Å²	29.7	29%	0.287	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.7	31.2	177.9	-43.1	-179.5	-177.7	-167.7	0	113.4	S298 Y299 M322 Q323	S298-K301 PolarHBondContact O-N 3.37Å; Y299-K301 PolarHBondContact O-N 2.69Å; Y299-K301 VanDerWaalsContact O-N 3.13Å; K301-M322 WeakPolarHBondContact O-CE 3.34Å; K301-Q323 WeakPolarHBondContact CA-O 3.46Å; K301-Q323 VanDerWaalsContact CB-O 3.31Å; K301-Q323 WeakPolarHBondContact CB-O 3.08Å
302	T	97.9	Very high	97.4	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.7	-179.8	73.4	0	0	0	0	112.1	S298 D300 R304 I316 Y317 H318 V397	S298-T302 PolarHBondContact N-O 3.21Å; S298-T302 VanDerWaalsContact N-O 3.12Å; D300-T302 VanDerWaalsContact C-N 3.34Å; D300-T302 PolarHBondContact OD1-N 3.4Å; D300-T302 PolarHBondContact OD1-OG1 2.88Å; D300-T302 PolarHBondContact OD2-OG1 3.35Å; T302-R304 PolarHBondContact OG1-NH1 2.98Å; T302-I316 HydrophobicContact CG2-CD1 3.94Å; T302-I316 HydrophobicContact CG2-CG1 4.4Å; T302-Y317 WeakPolarHBondContact CA-O 3.4Å; T302-H318 HydrophobicContact CG2-CB 4.37Å; T302-V397 HydrophobicContact CG2-CG2 3.96Å
303	I	98.2	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.9	170.7	-56	157.9	0	0	0	106.4	V295 S296 I316 Y317 M322 V325 V328 I337 S339 W349	V295-I303 HydrophobicContact CG2-CG2 3.32Å; S296-I303 CarbonylContact O-C 3.6Å; S296-I303 WeakPolarHBondContact O-CA 3.41Å; I303-I316 CarbonylContact O-C 3.56Å; I303-I316 VanDerWaalsContact O-CA 3.32Å; I303-I316 WeakPolarHBondContact O-CA 3.5Å; I303-Y317 PolarHBondContact N-O 2.77Å; I303-Y317 PolarHBondContact O-N 3Å; I303-M322 HydrophobicContact CD1-CE 4.12Å; I303-M322 HydrophobicContact CD1-SD 4.12Å; I303-M322 HydrophobicContact CG1-CE 4.13Å; I303-V325 HydrophobicContact CG1-CG1 4.21Å; I303-V325 HydrophobicContact CG1-CG2 4.12Å; I303-V328 HydrophobicContact CG2-CG1 4.42Å; I303-I337 HydrophobicContact CG2-CG2 4.41Å; I303-S339 WeakPolarHBondContact CD1-OG 3.34Å; I303-W349 HydrophobicContact CD1-CD2 4.49Å; I303-W349 HydrophobicContact CD1-CZ2 4.12Å; I303-W349 VanDerWaalsContact CD1-NE1 3.35Å
304	R	98.3	Very high	97.2	Very high	3 Å²	3	27.7 Å²	27.7	1%	0.011	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	135.6	177.6	-70.8	-175	172.3	85.2	-7.4	110.4	D277 H278 V295 S296 D300 T302 F306 E315 I316	D277-R304 PolarHBondContact O-NE 3.04Å; D277-R304 PolarHBondContact O-NH2 3.13Å; H278-R304 PolarHBondContact ND1-NH1 2.83Å; V295-R304 CarbonylContact C-O 3.55Å; V295-R304 WeakPolarHBondContact CA-O 3.48Å; S296-R304 PolarHBondContact N-O 3.42Å; S296-R304 PolarHBondContact O-N 2.89Å; S296-R304 PolarHBondContact OG-O 2.8Å; S296-R304 VanDerWaalsContact OG-O 3.09Å; D300-R304 IonicContact OD1-NH1 3.59Å; D300-R304 IonicContact OD2-CZ 2.86Å; D300-R304 IonicContact OD2-NH1 3.32Å; D300-R304 PolarHBondContact OD2-NH1 2.6Å; D300-R304 IonicContact OD2-NH2 2.94Å; T302-R304 PolarHBondContact OG1-NH1 2.98Å; R304-F306 HydrophobicContact CB-CD2 4.16Å; R304-F306 HydrophobicContact CB-CE2 3.47Å; R304-F306 VanDerWaalsContact CB-CE2 3.47Å; R304-F306 HydrophobicContact CB-CZ 4.11Å; R304-E315 WeakPolarHBondContact CA-O 3.39Å; R304-I316 HydrophobicContact CG-CB 4.32Å; R304-I316 HydrophobicContact CG-CD1 4.33Å; R304-I316 HydrophobicContact CG-CG1 3.98Å
305	I	98.4	Very high	97.2	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	127.2	176.3	-56	170.8	0	0	0	108.1	V295 S313 R314 E315 Y317 W330 I337 A351	V295-I305 HydrophobicContact CG2-CG1 4.15Å; I305-S313 CarbonylContact O-C 3.46Å; I305-S313 WeakPolarHBondContact O-CA 3.4Å; I305-R314 PolarHBondContact O-N 2.79Å; I305-E315 HydrophobicContact CD1-CB 4.35Å; I305-E315 PolarHBondContact N-O 2.97Å; I305-Y317 HydrophobicContact CD1-CE2 3.79Å; I305-W330 HydrophobicContact CG2-CH2 3.84Å; I305-W330 HydrophobicContact CG2-CZ3 3.96Å; I305-I337 HydrophobicContact CD1-CD1 3.38Å; I305-I337 HydrophobicContact CG1-CD1 3.68Å; I305-A351 VanDerWaalsContact CD1-O 3.26Å; I305-A351 WeakPolarHBondContact CD1-O 3.27Å
306	F	98.3	Very high	97.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.3	-178.6	-70.8	-92.9	0	0	0	110.2	L260 H275 D277 H278 E293 F294 S296 R304 N312	L260-F306 HydrophobicContact CD1-CD2 4.16Å; L260-F306 HydrophobicContact CD1-CE2 3.72Å; L260-F306 HydrophobicContact CD1-CZ 4.08Å; H275-F306 HydrophobicContact CB-CD1 3.96Å; H275-F306 HydrophobicContact CB-CE1 3.96Å; D277-F306 HydrophobicContact CB-CE1 4.33Å; D277-F306 HydrophobicContact CB-CZ 4.08Å; H278-F306 AromaticContact NE2-CE2 3.98Å; E293-F306 CarbonylContact C-O 3.58Å; E293-F306 VanDerWaalsContact CA-O 3.23Å; E293-F306 WeakPolarHBondContact CA-O 3.38Å; E293-F306 WeakPolarHBondContact CB-O 3.31Å; F294-F306 HydrophobicContact CD1-CB 4.27Å; F294-F306 HydrophobicContact CD2-CB 4.12Å; F294-F306 HydrophobicContact CD2-CD2 4.48Å; F294-F306 HydrophobicContact CE1-CB 3.69Å; F294-F306 HydrophobicContact CE2-CB 3.53Å; F294-F306 AromaticContact CE2-CD2 3.79Å; F294-F306 HydrophobicContact CE2-CD2 3.79Å; F294-F306 AromaticContact CE2-CG 3.86Å; F294-F306 HydrophobicContact CE2-CG 3.86Å; F294-F306 HydrophobicContact CG-CB 4.45Å; F294-F306 HydrophobicContact CZ-CB 3.28Å; F294-F306 HydrophobicContact CZ-CD2 4.25Å; F294-F306 AromaticContact CZ-CG 3.84Å; F294-F306 HydrophobicContact CZ-CG 3.84Å; F294-F306 PolarHBondContact N-O 3.46Å; F294-F306 PolarHBondContact O-N 3.21Å; S296-F306 VanDerWaalsContact OG-CE2 3.3Å; S296-F306 WeakPolarHBondContact OG-CE2 3.45Å; R304-F306 HydrophobicContact CB-CD2 4.16Å; R304-F306 HydrophobicContact CB-CE2 3.47Å; R304-F306 VanDerWaalsContact CB-CE2 3.47Å; R304-F306 HydrophobicContact CB-CZ 4.11Å; F306-N312 VanDerWaalsContact CD1-C 3.46Å
307	P	97.5	Very high	97.1	Very high	34 Å²	34	29.4 Å²	29.4	22%	0.221	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.4	158.9	-10.5	25.7	0	0	0	109.4	N309 A310 R314	P307-N309 PolarHBondContact O-N 2.51Å; P307-N309 VanDerWaalsContact O-N 3.08Å; P307-A310 HydrophobicContact CB-CB 3.86Å; P307-A310 HydrophobicContact CG-CB 3.75Å; P307-A310 PolarHBondContact O-N 3.3Å; P307-R314 HydrophobicContact CG-CB 4.24Å
308	Q	95.8	Very high	97	Very high	11 Å²	11	32 Å²	32	5%	0.051	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-37.1	179.9	-174.4	-172.8	1.3	0	0	112.6	N244 E247 H275 G291 R292	N244-Q308 PolarHBondContact ND2-NE2 2.97Å; N244-Q308 PolarHBondContact ND2-OE1 2.76Å; E247-Q308 PolarHBondContact OE2-NE2 2.95Å; H275-Q308 PolarHBondContact CE1-O 3.1Å; G291-Q308 PolarHBondContact O-OE1 3.17Å; R292-Q308 WeakPolarHBondContact O-CB 3.48Å; R292-Q308 PolarHBondContact O-N 3.29Å
309	N	94.9	Very high	96.9	Very high	123 Å²	123	34 Å²	34	66%	0.658	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.5	-175.3	-64.8	-22.2	0	0	0	114.1	K273 P307	K273-N309 VanDerWaalsContact CE-O 3.26Å; K273-N309 WeakPolarHBondContact CE-O 3.26Å; K273-N309 PolarHBondContact NZ-O 3.49Å; P307-N309 PolarHBondContact O-N 2.51Å; P307-N309 VanDerWaalsContact O-N 3.08Å
310	A	95.8	Very high	96.8	Very high	34 Å²	34	39.9 Å²	39.9	28%	0.281	21%	0.206	S	C	.	.			trans	-107.2	136.8	-175.5	0	0	0	0	0	110.6	H275 P307 N312	H275-A310 PolarHBondContact CE1-O 2.71Å; H275-A310 PolarHBondContact ND1-O 2.65Å; P307-A310 HydrophobicContact CB-CB 3.86Å; P307-A310 HydrophobicContact CG-CB 3.75Å; P307-A310 PolarHBondContact O-N 3.3Å; A310-N312 VanDerWaalsContact C-N 3.27Å; A310-N312 PolarHBondContact O-N 2.83Å
311	G	95.1	Very high	96.5	Very high	17 Å²	17	48.9 Å²	48.9	18%	0.175	24%	0.239	C	C	.	.	S	Bend	trans	-80.7	-6.1	179.2	0	0	0	0	0	114	V274 H275 V276	V274-G311 WeakPolarHBondContact O-CA 3.35Å; H275-G311 CarbonylContact C-O 3.58Å; H275-G311 WeakPolarHBondContact CA-O 3.18Å; V276-G311 PolarHBondContact N-O 2.65Å
312	N	96.3	Very high	96.4	Very high	92 Å²	92	45.9 Å²	45.9	49%	0.492	23%	0.226	S	C	.	.	S	Bend	trans	-122.3	154.1	-178.5	-64.6	-8.2	0	0	0	109.4	F306 A310	F306-N312 VanDerWaalsContact CD1-C 3.46Å; A310-N312 VanDerWaalsContact C-N 3.27Å; A310-N312 PolarHBondContact O-N 2.83Å
313	S	97.1	Very high	96.3	Very high	31 Å²	31	49.1 Å²	49.1	22%	0.217	24%	0.241	C	C	.	.			trans	-66.1	141.1	178	60.2	0	0	0	0	111.7	D277 I305	D277-S313 WeakPolarHBondContact OD2-CB 3.32Å; D277-S313 PolarHBondContact OD2-N 2.9Å; D277-S313 PolarHBondContact OD2-OG 3.04Å; I305-S313 CarbonylContact O-C 3.46Å; I305-S313 WeakPolarHBondContact O-CA 3.4Å
314	R	95.4	Very high	96.2	Very high	70 Å²	70	53.8 Å²	53.8	26%	0.264	26%	0.259	S	S	.	.	S	Bend	trans	-77.7	-44.4	171	-174	-161.5	75.7	-163.9	-2.5	110.7	E293 I305 P307 A351 R391	E293-R314 IonicContact OE1-CZ 2.85Å; E293-R314 IonicContact OE1-NH1 3.47Å; E293-R314 PolarHBondContact OE1-NH1 3.34Å; E293-R314 IonicContact OE2-CZ 2.66Å; E293-R314 IonicContact OE2-NH1 3.74Å; E293-R314 PolarHBondContact OE2-NH1 3.25Å; I305-R314 PolarHBondContact O-N 2.79Å; P307-R314 HydrophobicContact CG-CB 4.24Å; R314-A351 PolarHBondContact NH2-O 2.76Å; R314-R391 PolarHBondContact O-NH2 3.44Å
315	E	97	Very high	96.1	Very high	7 Å²	7	53.6 Å²	53.6	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	154	-178.1	-72.9	-173.2	139.7	0	0	111.6	R52 R304 I305 Y317 A353	R52-E315 IonicContact NH2-OE1 3.47Å; R304-E315 WeakPolarHBondContact CA-O 3.39Å; I305-E315 HydrophobicContact CD1-CB 4.35Å; I305-E315 PolarHBondContact N-O 2.97Å; E315-Y317 HydrophobicContact CB-CE1 4.22Å; E315-Y317 PolarHBondContact OE2-OH 3.26Å; E315-A353 WeakPolarHBondContact OE1-CB 3.18Å
316	I	97.5	Very high	96	Very high	21 Å²	21	55.2 Å²	55.2	11%	0.108	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.5	174.9	-172.2	174.7	0	0	0	108.8	T302 I303 R304 R391 L393	T302-I316 HydrophobicContact CG2-CD1 3.94Å; T302-I316 HydrophobicContact CG2-CG1 4.4Å; I303-I316 CarbonylContact O-C 3.56Å; I303-I316 VanDerWaalsContact O-CA 3.32Å; I303-I316 WeakPolarHBondContact O-CA 3.5Å; R304-I316 HydrophobicContact CG-CB 4.32Å; R304-I316 HydrophobicContact CG-CD1 4.33Å; R304-I316 HydrophobicContact CG-CG1 3.98Å; I316-R391 HydrophobicContact CG2-CB 3.95Å; I316-R391 HydrophobicContact CG2-CG 4.12Å; I316-L393 HydrophobicContact CD1-CD2 3.48Å; I316-L393 VanDerWaalsContact CD1-CD2 3.48Å; I316-L393 HydrophobicContact CG2-CD2 3.83Å
317	Y	98.1	Very high	96	Very high	8 Å²	8	55.5 Å²	55.5	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.3	173.7	-57.4	-28.3	0	0	0	110.3	P57 T302 I303 I305 E315 W349 K350 A351 A353	P57-Y317 HydrophobicContact CB-CD1 3.75Å; P57-Y317 HydrophobicContact CB-CD2 4.34Å; P57-Y317 HydrophobicContact CB-CE1 3.27Å; P57-Y317 HydrophobicContact CB-CE2 3.88Å; P57-Y317 HydrophobicContact CB-CG 4.28Å; P57-Y317 HydrophobicContact CG-CD1 3.61Å; P57-Y317 HydrophobicContact CG-CE1 3.52Å; P57-Y317 HydrophobicContact CG-CG 4.33Å; T302-Y317 WeakPolarHBondContact CA-O 3.4Å; I303-Y317 PolarHBondContact N-O 2.77Å; I303-Y317 PolarHBondContact O-N 3Å; I305-Y317 HydrophobicContact CD1-CE2 3.79Å; E315-Y317 HydrophobicContact CB-CE1 4.22Å; E315-Y317 PolarHBondContact OE2-OH 3.26Å; Y317-W349 HydrophobicContact CD2-CB 3.94Å; Y317-W349 HydrophobicContact CD2-CD2 4.02Å; Y317-W349 AromaticContact CD2-CE3 3.92Å; Y317-W349 HydrophobicContact CD2-CE3 3.92Å; Y317-W349 HydrophobicContact CD2-CG 4.05Å; Y317-W349 HydrophobicContact CE2-CB 3.95Å; Y317-W349 HydrophobicContact CG-CD2 4.41Å; Y317-W349 AromaticContact CG-CE3 3.96Å; Y317-W349 HydrophobicContact CG-CE3 3.96Å; Y317-W349 HydrophobicContact CG-CZ3 4.26Å; Y317-K350 VanDerWaalsContact CE2-O 3.24Å; Y317-K350 WeakPolarHBondContact CE2-O 3.45Å; Y317-K350 PolarHBondContact OH-O 2.75Å; Y317-A351 PolarHBondContact OH-O 3.02Å; Y317-A351 VanDerWaalsContact OH-O 3.12Å; Y317-A353 HydrophobicContact CE1-CB 4.23Å; Y317-A353 PolarHBondContact OH-N 2.99Å
318	H	96.9	Very high	96	Very high	54 Å²	54	54 Å²	54	25%	0.25	26%	0.258	C	S	.	.			trans	-150.7	155.1	174.5	66.9	90.6	0	0	0	109.2	T302 Q392 P394	T302-H318 HydrophobicContact CG2-CB 4.37Å; H318-Q392 PolarHBondContact NE2-O 3.4Å; H318-P394 HydrophobicContact CB-CG 4.09Å; H318-P394 WeakPolarHBondContact ND1-CG 3.28Å
319	T	95.9	Very high	96.1	Very high	42 Å²	42	54 Å²	54	26%	0.258	26%	0.259	S	S	.	.			trans	-132.7	162.5	159.7	73.4	0	0	0	0	108.9	R321 M322 W349	T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 2.81Å; T319-R321 PolarHBondContact OG1-N 3.01Å; T319-M322 PolarHBondContact O-N 2.96Å; T319-M322 VanDerWaalsContact OG1-CB 3.27Å; T319-M322 WeakPolarHBondContact OG1-CB 3.33Å; T319-M322 PolarHBondContact OG1-N 2.91Å; T319-W349 HydrophobicContact CG2-CH2 3.49Å; T319-W349 VanDerWaalsContact CG2-CH2 3.49Å; T319-W349 HydrophobicContact CG2-CZ2 4.22Å; T319-W349 HydrophobicContact CG2-CZ3 4.34Å
320	K	93.7	Very high	96.2	Very high	210 Å²	210	48.1 Å²	48.1	91%	0.913	23%	0.228	S	C	*	.	S	Bend	trans	-65.4	-32.5	174.8	-70.3	-176.4	178.9	179.9	0	113
321	R	92.1	Very high	96.2	Very high	202 Å²	202	46.9 Å²	46.9	76%	0.762	22%	0.216	S	C	*	.	S	Bend	trans	-73.4	-37.5	178.6	-63.8	-175.7	-177.3	-179.1	-0.3	110.1	T319 Q323 E343	T319-R321 VanDerWaalsContact C-N 3.28Å; T319-R321 PolarHBondContact O-N 2.81Å; T319-R321 PolarHBondContact OG1-N 3.01Å; R321-Q323 PolarHBondContact O-N 2.77Å; R321-Q323 VanDerWaalsContact O-N 3.14Å; R321-Q323 PolarHBondContact O-NE2 3.15Å; R321-E343 VanDerWaalsContact O-CD 3.27Å
322	M	94.7	Very high	96.2	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	22%	0.223	C	C	.	.			trans	-49.9	114.9	-178.8	-159.5	155.8	79.8	0	0	112.8	K301 I303 T319 V325 E343 W349	K301-M322 WeakPolarHBondContact O-CE 3.34Å; I303-M322 HydrophobicContact CD1-CE 4.12Å; I303-M322 HydrophobicContact CD1-SD 4.12Å; I303-M322 HydrophobicContact CG1-CE 4.13Å; T319-M322 PolarHBondContact O-N 2.96Å; T319-M322 VanDerWaalsContact OG1-CB 3.27Å; T319-M322 WeakPolarHBondContact OG1-CB 3.33Å; T319-M322 PolarHBondContact OG1-N 2.91Å; M322-V325 HydrophobicContact CE-CG2 3.81Å; M322-V325 HydrophobicContact CG-CG2 4.09Å; M322-V325 HydrophobicContact SD-CG2 3.91Å; M322-E343 WeakPolarHBondContact CA-OE1 3.31Å; M322-W349 HydrophobicContact CE-CZ2 4.46Å; M322-W349 HydrophobicContact SD-CZ2 3.81Å
323	Q	94.6	Very high	96.1	Very high	70 Å²	70	48 Å²	48	33%	0.327	22%	0.218	S	C	.	.			trans	-88	-156.1	169.6	-58.6	-52.5	-40.6	0	0	110.6	K301 R321 V325 D342 E343	K301-Q323 WeakPolarHBondContact CA-O 3.46Å; K301-Q323 VanDerWaalsContact CB-O 3.31Å; K301-Q323 WeakPolarHBondContact CB-O 3.08Å; R321-Q323 PolarHBondContact O-N 2.77Å; R321-Q323 VanDerWaalsContact O-N 3.14Å; R321-Q323 PolarHBondContact O-NE2 3.15Å; Q323-V325 PolarHBondContact O-N 3.09Å; Q323-D342 HydrophobicContact CB-CB 4.43Å; Q323-E343 HydrophobicContact CB-CB 4.18Å; Q323-E343 HydrophobicContact CG-CB 3.84Å; Q323-E343 PolarHBondContact N-OE1 2.96Å
324	R	96	Very high	96	Very high	97 Å²	97	49 Å²	49	37%	0.366	22%	0.221	S	C	.	.			trans	-60	133.6	-178.4	-61.6	152.5	179.4	177.6	-1.2	108.9	Y299 M326 S341 D342	Y299-R324 HydrophobicContact CD1-CG 4.27Å; Y299-R324 HydrophobicContact CD2-CB 4.24Å; Y299-R324 HydrophobicContact CD2-CG 3.98Å; Y299-R324 HydrophobicContact CE1-CG 4.28Å; Y299-R324 VanDerWaalsContact CE2-CD 3.45Å; Y299-R324 HydrophobicContact CE2-CG 4Å; Y299-R324 HydrophobicContact CG-CG 4.16Å; Y299-R324 PolarHBondContact OH-NE 3.25Å; Y299-R324 PolarHBondContact OH-NH1 2.65Å; Y299-R324 VanDerWaalsContact OH-NH1 3.12Å; Y299-R324 PolarHBondContact OH-NH2 2.73Å; R324-M326 HydrophobicContact CB-SD 4.26Å; R324-S341 CarbonylContact O-C 3.53Å; R324-S341 VanDerWaalsContact O-CA 3.23Å; R324-S341 WeakPolarHBondContact O-CA 3.31Å; R324-S341 WeakPolarHBondContact O-CB 3.37Å; R324-D342 HydrophobicContact CB-CB 4.11Å; R324-D342 IonicContact NH1-OD2 3.56Å; R324-D342 PolarHBondContact O-N 3.04Å
325	V	97.1	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.7	178.1	-178.4	0	0	0	0	107.2	M283 S298 I303 M322 Q323 V328	M283-V325 WeakPolarHBondContact CB-O 3.47Å; M283-V325 WeakPolarHBondContact CG-O 3.32Å; S298-V325 PolarHBondContact O-N 3.06Å; I303-V325 HydrophobicContact CG1-CG1 4.21Å; I303-V325 HydrophobicContact CG1-CG2 4.12Å; M322-V325 HydrophobicContact CE-CG2 3.81Å; M322-V325 HydrophobicContact CG-CG2 4.09Å; M322-V325 HydrophobicContact SD-CG2 3.91Å; Q323-V325 PolarHBondContact O-N 3.09Å; V325-V328 HydrophobicContact CG1-CG2 3.48Å; V325-V328 VanDerWaalsContact CG1-CG2 3.48Å
326	M	96.6	Very high	95.9	Very high	34 Å²	34	49.6 Å²	49.6	17%	0.167	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-36.5	-174.8	-62.4	-53.8	-72.8	0	0	111.6	Y87 M283 R324 G340 D342	Y87-M326 WeakPolarHBondContact OH-CE 3.27Å; M283-M326 HydrophobicContact CE-CE 3.75Å; M283-M326 HydrophobicContact CE-SD 4.35Å; M283-M326 HydrophobicContact CG-SD 4.4Å; R324-M326 HydrophobicContact CB-SD 4.26Å; M326-G340 PolarHBondContact N-O 3.48Å; M326-D342 HydrophobicContact CG-CB 4.41Å
327	V	97.3	Very high	96	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.2	-176.5	62.9	0	0	0	0	110.6	V69 H70 F72 D284 S339 G340	V69-V327 HydrophobicContact CG1-CG1 4.07Å; H70-V327 WeakPolarHBondContact O-CB 3.19Å; F72-V327 HydrophobicContact CB-CG2 4.35Å; F72-V327 HydrophobicContact CD2-CB 4.2Å; F72-V327 HydrophobicContact CD2-CG1 3.64Å; F72-V327 HydrophobicContact CD2-CG2 3.62Å; F72-V327 HydrophobicContact CE2-CB 4.39Å; F72-V327 HydrophobicContact CE2-CG1 3.5Å; F72-V327 HydrophobicContact CE2-CG2 4.28Å; F72-V327 HydrophobicContact CG-CG1 4.33Å; F72-V327 HydrophobicContact CG-CG2 4.22Å; F72-V327 HydrophobicContact CZ-CG1 4.06Å; D284-V327 WeakPolarHBondContact OD2-CA 3.28Å; D284-V327 VanDerWaalsContact OD2-CG2 3.23Å; D284-V327 WeakPolarHBondContact OD2-CG2 3.38Å; V327-S339 WeakPolarHBondContact O-CA 3.48Å; V327-G340 PolarHBondContact N-O 3.02Å; V327-G340 PolarHBondContact O-N 2.9Å
328	V	98	Very high	95.9	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.2	176.7	-174	0	0	0	0	109.2	D284 V295 G297 I303 V325 I337 L338	D284-V328 PolarHBondContact OD2-N 2.53Å; D284-V328 VanDerWaalsContact OD2-O 3.14Å; V295-V328 HydrophobicContact CB-CG1 4.12Å; V295-V328 HydrophobicContact CG1-CB 4.32Å; V295-V328 HydrophobicContact CG1-CG1 3.35Å; V295-V328 HydrophobicContact CG2-CG1 3.65Å; G297-V328 VanDerWaalsContact CA-CG2 3.44Å; I303-V328 HydrophobicContact CG2-CG1 4.42Å; V325-V328 HydrophobicContact CG1-CG2 3.48Å; V325-V328 VanDerWaalsContact CG1-CG2 3.48Å; V328-I337 HydrophobicContact CG1-CG2 3.65Å; V328-L338 CarbonylContact C-O 3.54Å; V328-L338 WeakPolarHBondContact CA-O 3.43Å; V328-L338 VanDerWaalsContact CG1-O 3.29Å; V328-L338 WeakPolarHBondContact CG1-O 3.45Å
329	S	97.4	Very high	96	Very high	10 Å²	10	45.8 Å²	45.8	7%	0.07	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.8	172.5	-161.6	0	0	0	0	112.9	K74 D286 I337 L338	K74-S329 WeakPolarHBondContact CD-OG 3.32Å; K74-S329 WeakPolarHBondContact CE-OG 3.19Å; K74-S329 PolarHBondContact NZ-OG 2.98Å; D286-S329 WeakPolarHBondContact OD2-CA 3.32Å; D286-S329 PolarHBondContact OD2-OG 3.32Å; S329-I337 CarbonylContact O-C 3.55Å; S329-I337 WeakPolarHBondContact O-CA 3.5Å; S329-L338 PolarHBondContact N-O 3.11Å; S329-L338 PolarHBondContact O-N 3.43Å
330	W	97.5	Very high	96	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.8	172.6	-153.5	-56.1	0	0	0	110	K74 D286 Y287 E293 V295 I305 N334 I337 A351	K74-W330 WeakPolarHBondContact CD-O 3.47Å; K74-W330 PolarHBondContact NZ-O 3.12Å; D286-W330 PolarHBondContact OD2-N 3.05Å; Y287-W330 WeakPolarHBondContact O-CB 3.5Å; E293-W330 HydrophobicContact CB-CH2 3.77Å; E293-W330 HydrophobicContact CB-CZ3 4.13Å; E293-W330 WeakPolarHBondContact OE2-CH2 3.26Å; V295-W330 HydrophobicContact CB-CE3 3.75Å; V295-W330 HydrophobicContact CB-CZ3 3.96Å; V295-W330 HydrophobicContact CG1-CE3 3.82Å; I305-W330 HydrophobicContact CG2-CH2 3.84Å; I305-W330 HydrophobicContact CG2-CZ3 3.96Å; W330-N334 VanDerWaalsContact CE2-OD1 3.29Å; W330-N334 WeakPolarHBondContact CZ2-OD1 3.08Å; W330-N334 PolarHBondContact NE1-O 2.86Å; W330-N334 PolarHBondContact NE1-OD1 2.84Å; W330-I337 HydrophobicContact CD2-CG1 4.09Å; W330-I337 HydrophobicContact CE3-CD1 4.34Å; W330-I337 HydrophobicContact CE3-CG1 4.25Å; W330-I337 HydrophobicContact CG-CG1 4.44Å; W330-I337 HydrophobicContact CH2-CD1 4.47Å; W330-I337 HydrophobicContact CZ3-CD1 4.28Å; W330-A351 HydrophobicContact CH2-CB 4.34Å; W330-A351 HydrophobicContact CZ2-CB 3.54Å
331	T	96.3	Very high	96.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.043	16%	0.158	C	C	.	.			trans	-67.6	148.6	178.3	56.7	0	0	0	0	111.9	L96 D333 N334 Y336	L96-T331 HydrophobicContact CD1-CG2 4.04Å; T331-D333 VanDerWaalsContact CB-OD1 3.27Å; T331-D333 WeakPolarHBondContact CB-OD1 3.27Å; T331-D333 PolarHBondContact O-N 3.16Å; T331-D333 VanDerWaalsContact O-N 3.11Å; T331-D333 PolarHBondContact OG1-OD1 3.48Å; T331-N334 PolarHBondContact O-N 3.38Å; T331-Y336 PolarHBondContact N-O 3.07Å; T331-Y336 WeakPolarHBondContact OG1-CA 3.06Å; T331-Y336 WeakPolarHBondContact OG1-CB 3.39Å; T331-Y336 PolarHBondContact OG1-N 3.16Å; T331-Y336 PolarHBondContact OG1-O 2.99Å
332	L	94.7	Very high	96.1	Very high	59 Å²	59	26.3 Å²	26.3	31%	0.309	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.9	-174.5	-68.6	175.5	0	0	0	114.1	K74 H75 L79 P289 N334	K74-L332 HydrophobicContact CD-CG 4.45Å; H75-L332 WeakPolarHBondContact O-CD1 3.47Å; L79-L332 HydrophobicContact CD2-CB 3.41Å; L79-L332 VanDerWaalsContact CD2-CB 3.41Å; L79-L332 HydrophobicContact CD2-CD1 4.5Å; P289-L332 WeakPolarHBondContact CG-O 3.14Å; L332-N334 VanDerWaalsContact C-N 3.29Å
333	D	93.2	Very high	96	Very high	75 Å²	75	27.8 Å²	27.8	40%	0.401	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	2.5	172.8	69.1	-12.4	0	0	0	113.9	T331 A335 Y336	T331-D333 VanDerWaalsContact CB-OD1 3.27Å; T331-D333 WeakPolarHBondContact CB-OD1 3.27Å; T331-D333 PolarHBondContact O-N 3.16Å; T331-D333 VanDerWaalsContact O-N 3.11Å; T331-D333 PolarHBondContact OG1-OD1 3.48Å; D333-A335 PolarHBondContact O-N 2.75Å; D333-A335 PolarHBondContact OD1-N 3.42Å; D333-A335 VanDerWaalsContact OD1-N 3.09Å; D333-Y336 WeakPolarHBondContact OD2-CD2 3.35Å; D333-Y336 WeakPolarHBondContact OD2-CE2 3.41Å
334	N	95.9	Very high	95.9	Very high	51 Å²	51	28.3 Å²	28.3	27%	0.273	14%	0.141	S	C	.	.	S	Bend	trans	61.4	4.7	-175.7	-162	24.2	0	0	0	115.3	S288 P289 T290 W330 T331 L332 A351	S288-N334 VanDerWaalsContact CB-OD1 3.31Å; S288-N334 WeakPolarHBondContact CB-OD1 3.25Å; P289-N334 HydrophobicContact CG-CB 3.77Å; T290-N334 HydrophobicContact CG2-CB 4.41Å; T290-N334 VanDerWaalsContact CG2-ND2 3.3Å; T290-N334 WeakPolarHBondContact CG2-ND2 3.26Å; W330-N334 VanDerWaalsContact CE2-OD1 3.29Å; W330-N334 WeakPolarHBondContact CZ2-OD1 3.08Å; W330-N334 PolarHBondContact NE1-O 2.86Å; W330-N334 PolarHBondContact NE1-OD1 2.84Å; T331-N334 PolarHBondContact O-N 3.38Å; L332-N334 VanDerWaalsContact C-N 3.29Å; N334-A351 WeakPolarHBondContact O-CB 3.27Å
335	A	94.5	Very high	95.8	Very high	36 Å²	36	25.5 Å²	25.5	30%	0.298	13%	0.133	S	C	.	.	S	Bend	trans	-95.9	-24	-170	0	0	0	0	0	113.4	D333 A351	D333-A335 PolarHBondContact O-N 2.75Å; D333-A335 PolarHBondContact OD1-N 3.42Å; D333-A335 VanDerWaalsContact OD1-N 3.09Å; A335-A351 WeakPolarHBondContact O-CB 3.37Å; A335-A351 PolarHBondContact O-N 3.07Å
336	Y	96.9	Very high	95.8	Very high	53 Å²	53	25.6 Å²	25.6	21%	0.208	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	162.3	-172.4	-49.8	-81.2	0	0	0	113.3	L59 T331 D333 L348 W349 K350 L357	L59-Y336 HydrophobicContact CD2-CD1 4.27Å; L59-Y336 HydrophobicContact CD2-CE1 3.87Å; T331-Y336 PolarHBondContact N-O 3.07Å; T331-Y336 WeakPolarHBondContact OG1-CA 3.06Å; T331-Y336 WeakPolarHBondContact OG1-CB 3.39Å; T331-Y336 PolarHBondContact OG1-N 3.16Å; T331-Y336 PolarHBondContact OG1-O 2.99Å; D333-Y336 WeakPolarHBondContact OD2-CD2 3.35Å; D333-Y336 WeakPolarHBondContact OD2-CE2 3.41Å; Y336-L348 HydrophobicContact CG-CD1 4.26Å; Y336-W349 CarbonylContact C-O 3.59Å; Y336-W349 WeakPolarHBondContact CA-O 3.42Å; Y336-W349 VanDerWaalsContact CB-O 3.29Å; Y336-W349 WeakPolarHBondContact CB-O 3.47Å; Y336-K350 HydrophobicContact CD1-CG 4.36Å; Y336-K350 HydrophobicContact CE1-CG 4.31Å; Y336-L357 HydrophobicContact CE1-CD2 3.98Å; Y336-L357 VanDerWaalsContact OH-CD2 3.3Å; Y336-L357 WeakPolarHBondContact OH-CD2 3.37Å
337	I	98.1	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.6	177.5	-66.6	165.3	0	0	0	107.1	V295 I303 I305 V328 S329 W330 W349 A351	V295-I337 HydrophobicContact CB-CD1 4.19Å; V295-I337 HydrophobicContact CG1-CG2 4.33Å; V295-I337 HydrophobicContact CG2-CD1 3.9Å; V295-I337 HydrophobicContact CG2-CG1 4.47Å; V295-I337 HydrophobicContact CG2-CG2 3.89Å; I303-I337 HydrophobicContact CG2-CG2 4.41Å; I305-I337 HydrophobicContact CD1-CD1 3.38Å; I305-I337 HydrophobicContact CG1-CD1 3.68Å; V328-I337 HydrophobicContact CG1-CG2 3.65Å; S329-I337 CarbonylContact O-C 3.55Å; S329-I337 WeakPolarHBondContact O-CA 3.5Å; W330-I337 HydrophobicContact CD2-CG1 4.09Å; W330-I337 HydrophobicContact CE3-CD1 4.34Å; W330-I337 HydrophobicContact CE3-CG1 4.25Å; W330-I337 HydrophobicContact CG-CG1 4.44Å; W330-I337 HydrophobicContact CH2-CD1 4.47Å; W330-I337 HydrophobicContact CZ3-CD1 4.28Å; I337-W349 HydrophobicContact CB-CB 4.31Å; I337-W349 PolarHBondContact N-O 2.96Å; I337-W349 PolarHBondContact O-N 2.67Å; I337-A351 HydrophobicContact CD1-CB 4.27Å; I337-A351 HydrophobicContact CG1-CB 4.35Å
338	L	97.5	Very high	95.8	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.9	169.6	-71.6	168.4	0	0	0	109.6	L62 F72 T82 L96 V328 S329 I346 R347 L348	L62-L338 HydrophobicContact CD1-CD2 4.47Å; F72-L338 HydrophobicContact CE2-CB 4.2Å; F72-L338 HydrophobicContact CZ-CB 4.49Å; T82-L338 HydrophobicContact CG2-CD1 3.83Å; L96-L338 HydrophobicContact CD1-CD1 4.33Å; L96-L338 HydrophobicContact CD2-CD1 4.24Å; L96-L338 HydrophobicContact CD2-CD2 4.02Å; V328-L338 CarbonylContact C-O 3.54Å; V328-L338 WeakPolarHBondContact CA-O 3.43Å; V328-L338 VanDerWaalsContact CG1-O 3.29Å; V328-L338 WeakPolarHBondContact CG1-O 3.45Å; S329-L338 PolarHBondContact N-O 3.11Å; S329-L338 PolarHBondContact O-N 3.43Å; L338-I346 HydrophobicContact CD2-CG2 3.94Å; L338-R347 CarbonylContact C-O 3.58Å; L338-R347 VanDerWaalsContact CA-O 3.31Å; L338-R347 WeakPolarHBondContact CA-O 3.12Å; L338-L348 HydrophobicContact CD2-CB 4.16Å; L338-L348 HydrophobicContact CD2-CD1 3.51Å; L338-L348 HydrophobicContact CD2-CG 4.41Å; L338-L348 HydrophobicContact CG-CD1 3.95Å
339	S	97.7	Very high	95.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.9	172.1	63.8	0	0	0	0	110.4	I303 V327 I346 R347 W349	I303-S339 WeakPolarHBondContact CD1-OG 3.34Å; V327-S339 WeakPolarHBondContact O-CA 3.48Å; S339-I346 CarbonylContact O-C 3.45Å; S339-I346 WeakPolarHBondContact O-CA 3.24Å; S339-R347 PolarHBondContact N-O 3.4Å; S339-R347 PolarHBondContact O-N 3.08Å; S339-W349 PolarHBondContact OG-NE1 3.04Å
340	G	96.6	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.7	170.2	0	0	0	0	0	108.4	F72 M326 V327	F72-G340 VanDerWaalsContact CE2-N 3.28Å; M326-G340 PolarHBondContact N-O 3.48Å; V327-G340 PolarHBondContact N-O 3.02Å; V327-G340 PolarHBondContact O-N 2.9Å
341	S	94.8	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	160.7	176.6	44.6	0	0	0	0	111.2	V69 R324 E343 F344 N345 R347	V69-S341 PolarHBondContact N-O 3.3Å; R324-S341 CarbonylContact O-C 3.53Å; R324-S341 VanDerWaalsContact O-CA 3.23Å; R324-S341 WeakPolarHBondContact O-CA 3.31Å; R324-S341 WeakPolarHBondContact O-CB 3.37Å; S341-E343 PolarHBondContact O-N 3.33Å; S341-E343 VanDerWaalsContact O-N 3.13Å; S341-E343 WeakPolarHBondContact OG-CG 3.47Å; S341-E343 PolarHBondContact OG-OE1 3.42Å; S341-E343 VanDerWaalsContact OG-OE1 3.06Å; S341-F344 PolarHBondContact O-N 2.84Å; S341-N345 PolarHBondContact N-O 3.15Å; S341-N345 PolarHBondContact OG-O 3.01Å; S341-R347 PolarHBondContact OG-NH1 3.09Å
342	D	93.4	Very high	95.7	Very high	45 Å²	45	26.9 Å²	26.9	24%	0.241	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-16.2	172.7	-149.3	26.2	0	0	0	112.7	Q323 R324 M326 F344	Q323-D342 HydrophobicContact CB-CB 4.43Å; R324-D342 HydrophobicContact CB-CB 4.11Å; R324-D342 IonicContact NH1-OD2 3.56Å; R324-D342 PolarHBondContact O-N 3.04Å; M326-D342 HydrophobicContact CG-CB 4.41Å; D342-F344 WeakPolarHBondContact O-CD1 3.31Å; D342-F344 VanDerWaalsContact O-CE1 3.28Å; D342-F344 WeakPolarHBondContact O-CE1 3.37Å; D342-F344 PolarHBondContact O-N 3.27Å
343	E	91.2	Very high	95.8	Very high	34 Å²	34	24.2 Å²	24.2	16%	0.159	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	22.3	176.4	87.5	-155.5	100.5	0	0	113.6	R321 M322 Q323 S341 N345 R347	R321-E343 VanDerWaalsContact O-CD 3.27Å; M322-E343 WeakPolarHBondContact CA-OE1 3.31Å; Q323-E343 HydrophobicContact CB-CB 4.18Å; Q323-E343 HydrophobicContact CG-CB 3.84Å; Q323-E343 PolarHBondContact N-OE1 2.96Å; S341-E343 PolarHBondContact O-N 3.33Å; S341-E343 VanDerWaalsContact O-N 3.13Å; S341-E343 WeakPolarHBondContact OG-CG 3.47Å; S341-E343 PolarHBondContact OG-OE1 3.42Å; S341-E343 VanDerWaalsContact OG-OE1 3.06Å; E343-N345 HydrophobicContact CG-CB 4.12Å; E343-N345 PolarHBondContact O-N 2.89Å; E343-R347 IonicContact OE1-CZ 2.72Å; E343-R347 VanDerWaalsContact OE1-CZ 3.29Å; E343-R347 IonicContact OE1-NH1 2.75Å; E343-R347 PolarHBondContact OE1-NH1 2.93Å; E343-R347 IonicContact OE1-NH2 2.98Å; E343-R347 PolarHBondContact OE1-NH2 3.14Å; E343-R347 IonicContact OE2-CZ 2.84Å; E343-R347 IonicContact OE2-NH1 2.83Å; E343-R347 IonicContact OE2-NH2 3.4Å; E343-R347 PolarHBondContact OE2-NH2 3.27Å
344	F	93.6	Very high	95.9	Very high	81 Å²	81	23.1 Å²	23.1	36%	0.355	12%	0.116	S	C	.	.	S	Bend	trans	75.4	-20.5	171.3	-28.4	-32.5	0	0	0	113.8	H65 S66 D67 V69 S341 D342	H65-F344 HydrophobicContact CB-CB 4.2Å; H65-F344 VanDerWaalsContact O-CB 3.27Å; H65-F344 WeakPolarHBondContact O-CB 3.45Å; S66-F344 WeakPolarHBondContact O-CD2 3.42Å; S66-F344 WeakPolarHBondContact O-CE2 3.06Å; S66-F344 WeakPolarHBondContact O-CG 3.48Å; S66-F344 WeakPolarHBondContact O-CZ 3.43Å; D67-F344 HydrophobicContact CB-CD1 4.5Å; D67-F344 HydrophobicContact CB-CE1 4.44Å; D67-F344 WeakPolarHBondContact O-CA 3.38Å; D67-F344 WeakPolarHBondContact O-CB 3.41Å; D67-F344 VanDerWaalsContact OD1-CE1 3.26Å; D67-F344 WeakPolarHBondContact OD1-CE1 3.33Å; V69-F344 WeakPolarHBondContact CG2-O 3.37Å; S341-F344 PolarHBondContact O-N 2.84Å; D342-F344 WeakPolarHBondContact O-CD1 3.31Å; D342-F344 VanDerWaalsContact O-CE1 3.28Å; D342-F344 WeakPolarHBondContact O-CE1 3.37Å; D342-F344 PolarHBondContact O-N 3.27Å
345	N	94.1	Very high	95.8	Very high	38 Å²	38	23.2 Å²	23.2	20%	0.203	12%	0.116	C	C	.	.			trans	-79	142.2	-179	-66.7	-38.7	0	0	0	112.8	D63 S341 E343	D63-N345 PolarHBondContact OD1-OD1 2.95Å; D63-N345 VanDerWaalsContact OD1-OD1 3.08Å; S341-N345 PolarHBondContact N-O 3.15Å; S341-N345 PolarHBondContact OG-O 3.01Å; E343-N345 HydrophobicContact CG-CB 4.12Å; E343-N345 PolarHBondContact O-N 2.89Å
346	I	96.2	Very high	95.6	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.9	168.8	-60.4	160.9	0	0	0	107.6	S61 L62 V69 F72 S84 W94 L338 S339	S61-I346 CarbonylContact C-O 3.57Å; S61-I346 WeakPolarHBondContact CA-O 3.29Å; L62-I346 HydrophobicContact CB-CB 4.07Å; L62-I346 HydrophobicContact CB-CG2 4.42Å; L62-I346 HydrophobicContact CD1-CG2 4.14Å; L62-I346 PolarHBondContact N-O 3.48Å; L62-I346 PolarHBondContact O-N 3.34Å; V69-I346 HydrophobicContact CB-CG1 4.46Å; V69-I346 HydrophobicContact CG1-CG1 4.3Å; V69-I346 HydrophobicContact CG2-CD1 4.23Å; V69-I346 HydrophobicContact CG2-CG1 3.81Å; F72-I346 HydrophobicContact CE1-CB 4.47Å; F72-I346 HydrophobicContact CE1-CD1 3.8Å; F72-I346 HydrophobicContact CE1-CG1 3.79Å; F72-I346 HydrophobicContact CE1-CG2 3.89Å; F72-I346 HydrophobicContact CZ-CB 4.33Å; F72-I346 HydrophobicContact CZ-CD1 4.41Å; F72-I346 HydrophobicContact CZ-CG1 3.9Å; F72-I346 HydrophobicContact CZ-CG2 3.67Å; S84-I346 VanDerWaalsContact CB-CD1 3.44Å; S84-I346 WeakPolarHBondContact OG-CD1 3.42Å; W94-I346 HydrophobicContact CZ2-CD1 3.87Å; L338-I346 HydrophobicContact CD2-CG2 3.94Å; S339-I346 CarbonylContact O-C 3.45Å; S339-I346 WeakPolarHBondContact O-CA 3.24Å
347	R	96.7	Very high	95.3	Very high	8 Å²	8	28.3 Å²	28.3	3%	0.03	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.1	179.6	-64.1	-178.4	177.2	91.1	-2.5	111.3	F58 L338 S339 S341 E343 W349	F58-R347 HydrophobicContact CE2-CB 4.1Å; F58-R347 HydrophobicContact CE2-CG 4Å; L338-R347 CarbonylContact C-O 3.58Å; L338-R347 VanDerWaalsContact CA-O 3.31Å; L338-R347 WeakPolarHBondContact CA-O 3.12Å; S339-R347 PolarHBondContact N-O 3.4Å; S339-R347 PolarHBondContact O-N 3.08Å; S341-R347 PolarHBondContact OG-NH1 3.09Å; E343-R347 IonicContact OE1-CZ 2.72Å; E343-R347 VanDerWaalsContact OE1-CZ 3.29Å; E343-R347 IonicContact OE1-NH1 2.75Å; E343-R347 PolarHBondContact OE1-NH1 2.93Å; E343-R347 IonicContact OE1-NH2 2.98Å; E343-R347 PolarHBondContact OE1-NH2 3.14Å; E343-R347 IonicContact OE2-CZ 2.84Å; E343-R347 IonicContact OE2-NH1 2.83Å; E343-R347 IonicContact OE2-NH2 3.4Å; E343-R347 PolarHBondContact OE2-NH2 3.27Å; R347-W349 HydrophobicContact CB-CZ2 4.26Å
348	L	96.7	Very high	94.9	Very high	5 Å²	5	31 Å²	31	3%	0.026	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.8	175	-173	67.1	0	0	0	109.7	L59 C60 Y336 L338	L59-L348 WeakPolarHBondContact CB-O 3.44Å; L59-L348 HydrophobicContact CD2-CD2 3.74Å; L59-L348 HydrophobicContact CD2-CG 4.28Å; L59-L348 PolarHBondContact N-O 3.48Å; C60-L348 PolarHBondContact N-O 2.76Å; C60-L348 PolarHBondContact O-N 3.35Å; Y336-L348 HydrophobicContact CG-CD1 4.26Å; L338-L348 HydrophobicContact CD2-CB 4.16Å; L338-L348 HydrophobicContact CD2-CD1 3.51Å; L338-L348 HydrophobicContact CD2-CG 4.41Å; L338-L348 HydrophobicContact CG-CD1 3.95Å
349	W	97.7	Very high	94.8	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.015	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.8	-177.6	-52.4	87.9	0	0	0	109.6	P57 F58 I303 Y317 T319 M322 Y336 I337 S339 R347	P57-W349 HydrophobicContact CB-CE3 4.23Å; P57-W349 HydrophobicContact CG-CE3 4.33Å; P57-W349 HydrophobicContact CG-CZ3 4.46Å; P57-W349 CarbonylContact O-C 3.52Å; P57-W349 VanDerWaalsContact O-CA 3.32Å; P57-W349 WeakPolarHBondContact O-CA 3.36Å; F58-W349 HydrophobicContact CB-CE3 3.88Å; F58-W349 HydrophobicContact CB-CZ3 3.72Å; F58-W349 HydrophobicContact CD2-CD2 4.33Å; F58-W349 HydrophobicContact CD2-CE3 4.11Å; F58-W349 HydrophobicContact CD2-CH2 4.07Å; F58-W349 HydrophobicContact CD2-CZ2 4.23Å; F58-W349 AromaticContact CD2-CZ3 3.98Å; F58-W349 HydrophobicContact CD2-CZ3 3.98Å; F58-W349 HydrophobicContact CG-CZ3 4.31Å; I303-W349 HydrophobicContact CD1-CD2 4.49Å; I303-W349 HydrophobicContact CD1-CZ2 4.12Å; I303-W349 VanDerWaalsContact CD1-NE1 3.35Å; Y317-W349 HydrophobicContact CD2-CB 3.94Å; Y317-W349 HydrophobicContact CD2-CD2 4.02Å; Y317-W349 AromaticContact CD2-CE3 3.92Å; Y317-W349 HydrophobicContact CD2-CE3 3.92Å; Y317-W349 HydrophobicContact CD2-CG 4.05Å; Y317-W349 HydrophobicContact CE2-CB 3.95Å; Y317-W349 HydrophobicContact CG-CD2 4.41Å; Y317-W349 AromaticContact CG-CE3 3.96Å; Y317-W349 HydrophobicContact CG-CE3 3.96Å; Y317-W349 HydrophobicContact CG-CZ3 4.26Å; T319-W349 HydrophobicContact CG2-CH2 3.49Å; T319-W349 VanDerWaalsContact CG2-CH2 3.49Å; T319-W349 HydrophobicContact CG2-CZ2 4.22Å; T319-W349 HydrophobicContact CG2-CZ3 4.34Å; M322-W349 HydrophobicContact CE-CZ2 4.46Å; M322-W349 HydrophobicContact SD-CZ2 3.81Å; Y336-W349 CarbonylContact C-O 3.59Å; Y336-W349 WeakPolarHBondContact CA-O 3.42Å; Y336-W349 VanDerWaalsContact CB-O 3.29Å; Y336-W349 WeakPolarHBondContact CB-O 3.47Å; I337-W349 HydrophobicContact CB-CB 4.31Å; I337-W349 PolarHBondContact N-O 2.96Å; I337-W349 PolarHBondContact O-N 2.67Å; S339-W349 PolarHBondContact OG-NE1 3.04Å; R347-W349 HydrophobicContact CB-CZ2 4.26Å
350	K	97.5	Very high	94.7	Very high	30 Å²	30	40.5 Å²	40.5	13%	0.13	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	134.8	165	-63.4	179.9	179.4	-179.6	0	109.3	P57 Y317 Y336 T352 N355 L357	P57-K350 PolarHBondContact O-N 3.21Å; Y317-K350 VanDerWaalsContact CE2-O 3.24Å; Y317-K350 WeakPolarHBondContact CE2-O 3.45Å; Y317-K350 PolarHBondContact OH-O 2.75Å; Y336-K350 HydrophobicContact CD1-CG 4.36Å; Y336-K350 HydrophobicContact CE1-CG 4.31Å; K350-T352 VanDerWaalsContact C-N 3.34Å; K350-N355 PolarHBondContact NZ-O 3.06Å; K350-L357 HydrophobicContact CD-CD2 4.45Å
351	A	97.1	Very high	94.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	25%	0.246	C	C	.	.	S	Bend	trans	-58.7	-49.3	169.9	0	0	0	0	0	110	I305 R314 Y317 W330 N334 A335 I337	I305-A351 VanDerWaalsContact CD1-O 3.26Å; I305-A351 WeakPolarHBondContact CD1-O 3.27Å; R314-A351 PolarHBondContact NH2-O 2.76Å; Y317-A351 PolarHBondContact OH-O 3.02Å; Y317-A351 VanDerWaalsContact OH-O 3.12Å; W330-A351 HydrophobicContact CH2-CB 4.34Å; W330-A351 HydrophobicContact CZ2-CB 3.54Å; N334-A351 WeakPolarHBondContact O-CB 3.27Å; A335-A351 WeakPolarHBondContact O-CB 3.37Å; A335-A351 PolarHBondContact O-N 3.07Å; I337-A351 HydrophobicContact CD1-CB 4.27Å; I337-A351 HydrophobicContact CG1-CB 4.35Å
352	T	96.5	Very high	94.8	Very high	40 Å²	40	52.7 Å²	52.7	25%	0.245	28%	0.28	C	S	.	.	S	Bend	trans	-102.5	106.9	173.2	50.7	0	0	0	0	111	K350 W354 N355	K350-T352 VanDerWaalsContact C-N 3.34Å; T352-W354 VanDerWaalsContact C-N 3.34Å; T352-W354 PolarHBondContact O-N 2.86Å; T352-N355 WeakPolarHBondContact O-CB 3.43Å; T352-N355 PolarHBondContact O-N 3.38Å; T352-N355 VanDerWaalsContact O-N 3.16Å; T352-N355 WeakPolarHBondContact OG1-CB 3.43Å; T352-N355 PolarHBondContact OG1-ND2 3.32Å
353	A	96.6	Very high	95	Very high	2 Å²	2	60.9 Å²	60.9	2%	0.017	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.4	-170.1	0	0	0	0	0	115.4	A55 K56 P57 E315 Y317	A55-A353 HydrophobicContact CB-CB 3.93Å; K56-A353 CarbonylContact C-O 3.33Å; K56-A353 PolarHBondContact N-O 3.48Å; K56-A353 VanDerWaalsContact N-O 3.12Å; P57-A353 HydrophobicContact CB-CB 3.8Å; P57-A353 HydrophobicContact CG-CB 4.27Å; E315-A353 WeakPolarHBondContact OE1-CB 3.18Å; Y317-A353 HydrophobicContact CE1-CB 4.23Å; Y317-A353 PolarHBondContact OH-N 2.99Å
354	W	95.1	Very high	95.2	Very high	52 Å²	52	62 Å²	62	20%	0.197	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.9	-175.4	62.8	-94.5	0	0	0	113.7	E51 F54 T352 K356 L368	E51-W354 HydrophobicContact CG-CB 3.67Å; E51-W354 HydrophobicContact CG-CD2 4.02Å; E51-W354 HydrophobicContact CG-CG 3.37Å; F54-W354 WeakPolarHBondContact O-CA 3.33Å; T352-W354 VanDerWaalsContact C-N 3.34Å; T352-W354 PolarHBondContact O-N 2.86Å; W354-K356 PolarHBondContact O-N 3.36Å; W354-L368 HydrophobicContact CZ3-CD1 4.16Å; W354-L368 HydrophobicContact CZ3-CD2 3.83Å; W354-L368 HydrophobicContact CZ3-CG 4.46Å
355	N	93.2	Very high	95.4	Very high	53 Å²	53	65.7 Å²	65.7	28%	0.283	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-72.6	131.6	-171.1	-162.8	9.7	0	0	0	110.8	K350 T352 K360	K350-N355 PolarHBondContact NZ-O 3.06Å; T352-N355 WeakPolarHBondContact O-CB 3.43Å; T352-N355 PolarHBondContact O-N 3.38Å; T352-N355 VanDerWaalsContact O-N 3.16Å; T352-N355 WeakPolarHBondContact OG1-CB 3.43Å; T352-N355 PolarHBondContact OG1-ND2 3.32Å; N355-K360 PolarHBondContact OD1-NZ 2.96Å
356	K	91.5	Very high	95.5	Very high	118 Å²	118	67 Å²	67	51%	0.513	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-76.1	139.3	177.2	-175.6	178.2	168.1	-170	0	109.8	W354 E364	W354-K356 PolarHBondContact O-N 3.36Å; K356-E364 WeakPolarHBondContact CD-OE1 3.44Å; K356-E364 IonicContact NZ-OE1 3.25Å; K356-E364 PolarHBondContact NZ-OE1 2.93Å; K356-E364 IonicContact NZ-OE2 2.9Å
357	L	89.6	Confident	95.6	Very high	79 Å²	79	69.6 Å²	69.6	41%	0.414	35%	0.353	S	S	.	.	S	Bend	trans	-79.7	148.4	176	-59.9	179	0	0	0	110.3	L59 Y336 K350	L59-L357 HydrophobicContact CD1-CD1 3.8Å; Y336-L357 HydrophobicContact CE1-CD2 3.98Å; Y336-L357 VanDerWaalsContact OH-CD2 3.3Å; Y336-L357 WeakPolarHBondContact OH-CD2 3.37Å; K350-L357 HydrophobicContact CD-CD2 4.45Å
358	G	90.6	Very high	95.5	Very high	56 Å²	56	71.7 Å²	71.7	58%	0.577	37%	0.365	S	S	*	.	S	Bend	trans	90.6	175.1	177.8	0	0	0	0	0	114.6
359	P	94.2	Very high	95.5	Very high	135 Å²	135	75.4 Å²	75.4	88%	0.877	38%	0.384	S	S	*	.			trans	-67	143.9	-179.6	28.5	-34.2	0	0	0	111
360	K	94.8	Very high	95.5	Very high	67 Å²	67	80 Å²	80	29%	0.291	40%	0.402	S	S	.	.			trans	-109.8	141.8	178.3	-61.8	176.8	-173.8	171.8	0	109.7	N355 E364 L368	N355-K360 PolarHBondContact OD1-NZ 2.96Å; K360-E364 HydrophobicContact CB-CG 4.47Å; K360-L368 HydrophobicContact CD-CD1 3.76Å
361	T	97.1	Very high	95.5	Very high	92 Å²	92	79.7 Å²	79.7	56%	0.564	41%	0.405	S	S	*	.			trans	-65.5	155	171.3	64.6	0	0	0	0	110.4	R363 E364 R365	T361-R363 VanDerWaalsContact C-N 3.26Å; T361-R363 PolarHBondContact O-N 3.42Å; T361-E364 PolarHBondContact O-N 3.43Å; T361-E364 VanDerWaalsContact O-N 3.13Å; T361-E364 VanDerWaalsContact OG1-CB 3.31Å; T361-E364 WeakPolarHBondContact OG1-CB 3.43Å; T361-E364 PolarHBondContact OG1-N 2.99Å; T361-R365 PolarHBondContact O-N 3.21Å
362	F	97.8	Very high	95.4	Very high	164 Å²	164	84 Å²	84	72%	0.719	43%	0.425	S	S	*	.	H	α-helix	trans	-54.3	-42.5	179	177.6	-105.8	0	0	0	112.5	R365 N366	F362-R365 PolarHBondContact O-N 3.47Å; F362-N366 WeakPolarHBondContact CE1-ND2 3.4Å; F362-N366 WeakPolarHBondContact CE2-ND2 3.38Å; F362-N366 WeakPolarHBondContact CZ-ND2 3.42Å; F362-N366 WeakPolarHBondContact O-CB 3.31Å; F362-N366 VanDerWaalsContact O-CG 3.3Å; F362-N366 PolarHBondContact O-N 3.15Å
363	R	97.2	Very high	95.5	Very high	217 Å²	217	88.3 Å²	88.3	82%	0.819	44%	0.441	S	S	*	.	H	α-helix	trans	-64.2	-43.4	178	-172.2	177.7	179.6	178.5	-0.5	112.3	T361 A367	T361-R363 VanDerWaalsContact C-N 3.26Å; T361-R363 PolarHBondContact O-N 3.42Å; R363-A367 WeakPolarHBondContact O-CB 3.33Å; R363-A367 PolarHBondContact O-N 2.72Å
364	E	96.2	Very high	95.6	Very high	58 Å²	58	88.6 Å²	88.6	27%	0.271	44%	0.442	S	S	.	.	H	α-helix	trans	-65.2	-44.3	177	-175.7	178.2	-171.2	0	0	111.1	K356 K360 T361 N366 A367 L368	K356-E364 WeakPolarHBondContact CD-OE1 3.44Å; K356-E364 IonicContact NZ-OE1 3.25Å; K356-E364 PolarHBondContact NZ-OE1 2.93Å; K356-E364 IonicContact NZ-OE2 2.9Å; K360-E364 HydrophobicContact CB-CG 4.47Å; T361-E364 PolarHBondContact O-N 3.43Å; T361-E364 VanDerWaalsContact O-N 3.13Å; T361-E364 VanDerWaalsContact OG1-CB 3.31Å; T361-E364 WeakPolarHBondContact OG1-CB 3.43Å; T361-E364 PolarHBondContact OG1-N 2.99Å; E364-N366 PolarHBondContact O-N 3.12Å; E364-A367 PolarHBondContact O-N 2.96Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.73Å
365	R	96.3	Very high	95.7	Very high	159 Å²	159	87.6 Å²	87.6	60%	0.6	44%	0.439	S	S	*	.	H	α-helix	trans	-58.3	-48.8	175.5	-176.6	178.4	178.7	170	-0.7	111.4	T361 F362 A367 L368 L369	T361-R365 PolarHBondContact O-N 3.21Å; F362-R365 PolarHBondContact O-N 3.47Å; R365-A367 VanDerWaalsContact C-N 3.34Å; R365-A367 PolarHBondContact O-N 2.87Å; R365-L368 PolarHBondContact O-N 3.23Å; R365-L369 HydrophobicContact CG-CD1 4.16Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 3.32Å
366	N	97.8	Very high	95.8	Very high	64 Å²	64	91 Å²	91	34%	0.342	45%	0.453	S	S	.	.	H	α-helix	trans	-65	-37.5	179.4	-71.2	-8.9	0	0	0	112.5	F362 E364 L368 L369 Y370	F362-N366 WeakPolarHBondContact CE1-ND2 3.4Å; F362-N366 WeakPolarHBondContact CE2-ND2 3.38Å; F362-N366 WeakPolarHBondContact CZ-ND2 3.42Å; F362-N366 WeakPolarHBondContact O-CB 3.31Å; F362-N366 VanDerWaalsContact O-CG 3.3Å; F362-N366 PolarHBondContact O-N 3.15Å; E364-N366 PolarHBondContact O-N 3.12Å; N366-L368 VanDerWaalsContact C-N 3.33Å; N366-L368 PolarHBondContact O-N 2.86Å; N366-L369 PolarHBondContact O-N 2.71Å; N366-Y370 VanDerWaalsContact O-CB 3.26Å; N366-Y370 WeakPolarHBondContact O-CB 3.29Å; N366-Y370 PolarHBondContact O-N 2.91Å
367	A	96.7	Very high	96.1	Very high	58 Å²	58	91.4 Å²	91.4	48%	0.479	46%	0.455	S	S	.	.	H	α-helix	trans	-62.4	-41.5	175.3	0	0	0	0	0	111.7	R363 E364 R365 A371	R363-A367 WeakPolarHBondContact O-CB 3.33Å; R363-A367 PolarHBondContact O-N 2.72Å; E364-A367 PolarHBondContact O-N 2.96Å; R365-A367 VanDerWaalsContact C-N 3.34Å; R365-A367 PolarHBondContact O-N 2.87Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 3.04Å; A367-A371 PolarHBondContact O-N 3.44Å
368	L	95.5	Very high	96.5	Very high	52 Å²	52	88.4 Å²	88.4	27%	0.272	44%	0.438	S	S	.	.	H	α-helix	trans	-66.9	-45.1	175.8	-69.9	178.8	0	0	0	112.5	W354 K360 E364 R365 N366 Y370 A371 E372	W354-L368 HydrophobicContact CZ3-CD1 4.16Å; W354-L368 HydrophobicContact CZ3-CD2 3.83Å; W354-L368 HydrophobicContact CZ3-CG 4.46Å; K360-L368 HydrophobicContact CD-CD1 3.76Å; E364-L368 WeakPolarHBondContact O-CG 3.3Å; E364-L368 PolarHBondContact O-N 2.73Å; R365-L368 PolarHBondContact O-N 3.23Å; N366-L368 VanDerWaalsContact C-N 3.33Å; N366-L368 PolarHBondContact O-N 2.86Å; L368-Y370 VanDerWaalsContact C-N 3.33Å; L368-Y370 PolarHBondContact O-N 2.71Å; L368-A371 WeakPolarHBondContact O-CB 3.38Å; L368-A371 PolarHBondContact O-N 3.38Å; L368-E372 WeakPolarHBondContact O-CB 3.37Å; L368-E372 PolarHBondContact O-N 2.99Å
369	L	96.6	Very high	96.8	Very high	83 Å²	83	88.1 Å²	88.1	44%	0.435	43%	0.43	S	S	.	.	H	α-helix	trans	-61.5	-42.8	177.2	-70.9	173.7	0	0	0	111.6	R365 N366 E372 K373	R365-L369 HydrophobicContact CG-CD1 4.16Å; R365-L369 WeakPolarHBondContact O-CG 3.47Å; R365-L369 PolarHBondContact O-N 3.32Å; N366-L369 PolarHBondContact O-N 2.71Å; L369-E372 PolarHBondContact O-N 3.46Å; L369-K373 PolarHBondContact O-N 2.84Å
370	Y	97.7	Very high	96.9	Very high	100 Å²	100	84.7 Å²	84.7	39%	0.392	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-44.7	175.2	176.1	-116.5	0	0	0	111.7	R43 N366 L368 E372 K373 L374	R43-Y370 PolarHBondContact NH1-OH 3.39Å; N366-Y370 VanDerWaalsContact O-CB 3.26Å; N366-Y370 WeakPolarHBondContact O-CB 3.29Å; N366-Y370 PolarHBondContact O-N 2.91Å; L368-Y370 VanDerWaalsContact C-N 3.33Å; L368-Y370 PolarHBondContact O-N 2.71Å; Y370-E372 VanDerWaalsContact C-N 3.33Å; Y370-E372 PolarHBondContact O-N 2.94Å; Y370-K373 PolarHBondContact O-N 3.33Å; Y370-L374 HydrophobicContact CD1-CD1 4.02Å; Y370-L374 HydrophobicContact CD2-CG 4.4Å; Y370-L374 HydrophobicContact CE1-CD1 3.45Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.45Å; Y370-L374 HydrophobicContact CE1-CG 4.29Å; Y370-L374 HydrophobicContact CE2-CD1 4.02Å; Y370-L374 HydrophobicContact CE2-CD2 4.33Å; Y370-L374 HydrophobicContact CE2-CG 3.98Å; Y370-L374 VanDerWaalsContact CZ-CD1 3.45Å; Y370-L374 WeakPolarHBondContact O-CB 3.21Å; Y370-L374 WeakPolarHBondContact O-CG 3.4Å; Y370-L374 PolarHBondContact O-N 3.35Å
371	A	97.4	Very high	97	Very high	24 Å²	24	86 Å²	86	20%	0.198	42%	0.419	C	S	.	.	H	α-helix	trans	-61.2	-41.5	175.7	0	0	0	0	0	111.8	A47 A367 L368 L374 K375	A47-A371 HydrophobicContact CB-CB 3.83Å; A367-A371 VanDerWaalsContact O-CB 3.28Å; A367-A371 WeakPolarHBondContact O-CB 3.04Å; A367-A371 PolarHBondContact O-N 3.44Å; L368-A371 WeakPolarHBondContact O-CB 3.38Å; L368-A371 PolarHBondContact O-N 3.38Å; A371-L374 PolarHBondContact O-N 3.16Å; A371-K375 VanDerWaalsContact O-CG 3.28Å; A371-K375 WeakPolarHBondContact O-CG 3.47Å; A371-K375 PolarHBondContact O-N 2.8Å
372	E	96	Very high	97.1	Very high	91 Å²	91	86.4 Å²	86.4	43%	0.425	42%	0.423	S	S	.	.	H	α-helix	trans	-62.2	-46.8	176.7	-169.6	162.9	-147	0	0	112.2	L368 L369 Y370 L374 K375 E376	L368-E372 WeakPolarHBondContact O-CB 3.37Å; L368-E372 PolarHBondContact O-N 2.99Å; L369-E372 PolarHBondContact O-N 3.46Å; Y370-E372 VanDerWaalsContact C-N 3.33Å; Y370-E372 PolarHBondContact O-N 2.94Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 3.22Å; E372-K375 WeakPolarHBondContact O-CB 3.44Å; E372-K375 PolarHBondContact O-N 2.79Å; E372-E376 PolarHBondContact O-N 2.93Å
373	K	98.1	Very high	97	Very high	131 Å²	131	82.9 Å²	82.9	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-64.1	-37.1	176	-72.9	-72.8	159	-159.3	0	113.1	L369 Y370 E376 K377	L369-K373 PolarHBondContact O-N 2.84Å; Y370-K373 PolarHBondContact O-N 3.33Å; K373-E376 IonicContact NZ-OE2 3.2Å; K373-E376 PolarHBondContact NZ-OE2 2.9Å; K373-E376 PolarHBondContact O-N 2.98Å; K373-K377 WeakPolarHBondContact O-CB 3.49Å; K373-K377 PolarHBondContact O-N 3.47Å
374	L	97.5	Very high	97.1	Very high	8 Å²	8	72.7 Å²	72.7	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-64.9	-43.6	172.9	-79.6	-179.4	0	0	0	112.1	E40 R43 A44 Y370 A371 E372 E376 K377 Y378	E40-L374 HydrophobicContact CB-CD2 3.84Å; E40-L374 HydrophobicContact CG-CD2 3.98Å; R43-L374 HydrophobicContact CB-CD1 3.61Å; A44-L374 HydrophobicContact CB-CB 4.01Å; Y370-L374 HydrophobicContact CD1-CD1 4.02Å; Y370-L374 HydrophobicContact CD2-CG 4.4Å; Y370-L374 HydrophobicContact CE1-CD1 3.45Å; Y370-L374 VanDerWaalsContact CE1-CD1 3.45Å; Y370-L374 HydrophobicContact CE1-CG 4.29Å; Y370-L374 HydrophobicContact CE2-CD1 4.02Å; Y370-L374 HydrophobicContact CE2-CD2 4.33Å; Y370-L374 HydrophobicContact CE2-CG 3.98Å; Y370-L374 VanDerWaalsContact CZ-CD1 3.45Å; Y370-L374 WeakPolarHBondContact O-CB 3.21Å; Y370-L374 WeakPolarHBondContact O-CG 3.4Å; Y370-L374 PolarHBondContact O-N 3.35Å; A371-L374 PolarHBondContact O-N 3.16Å; E372-L374 VanDerWaalsContact C-N 3.35Å; E372-L374 PolarHBondContact O-N 3.22Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.72Å; L374-K377 PolarHBondContact O-N 2.78Å; L374-Y378 HydrophobicContact CD2-CD2 4.31Å; L374-Y378 HydrophobicContact CD2-CE2 3.99Å; L374-Y378 WeakPolarHBondContact O-CD2 3.3Å; L374-Y378 PolarHBondContact O-N 2.76Å
375	K	97	Very high	97.1	Very high	31 Å²	31	75.5 Å²	75.5	14%	0.135	38%	0.379	C	S	.	.	H	α-helix	trans	-59.9	-41.9	175.8	-71.6	-178.5	-59.4	179.5	0	111.4	A47 V48 E51 A371 E372 A379	A47-K375 HydrophobicContact CB-CD 4.13Å; A47-K375 HydrophobicContact CB-CG 3.95Å; V48-K375 HydrophobicContact CG2-CB 4.41Å; V48-K375 HydrophobicContact CG2-CD 3.78Å; V48-K375 HydrophobicContact CG2-CG 3.63Å; E51-K375 VanDerWaalsContact OE2-CD 3.3Å; E51-K375 WeakPolarHBondContact OE2-CD 3.44Å; E51-K375 WeakPolarHBondContact OE2-CE 3.41Å; E51-K375 IonicContact OE2-NZ 2.98Å; E51-K375 PolarHBondContact OE2-NZ 3.01Å; A371-K375 VanDerWaalsContact O-CG 3.28Å; A371-K375 WeakPolarHBondContact O-CG 3.47Å; A371-K375 PolarHBondContact O-N 2.8Å; E372-K375 WeakPolarHBondContact O-CB 3.44Å; E372-K375 PolarHBondContact O-N 2.79Å; K375-A379 VanDerWaalsContact O-CA 3.32Å; K375-A379 WeakPolarHBondContact O-CA 3.43Å; K375-A379 VanDerWaalsContact O-CB 3.32Å; K375-A379 WeakPolarHBondContact O-CB 3.35Å; K375-A379 PolarHBondContact O-N 2.98Å
376	E	96.6	Very high	97.2	Very high	123 Å²	123	76.1 Å²	76.1	58%	0.575	38%	0.381	S	S	*	.	H	α-helix	trans	-61.5	-52.4	176.1	-172.7	-179.2	-175.3	0	0	111.2	E372 K373 L374 Y378 A379	E372-E376 PolarHBondContact O-N 2.93Å; K373-E376 IonicContact NZ-OE2 3.2Å; K373-E376 PolarHBondContact NZ-OE2 2.9Å; K373-E376 PolarHBondContact O-N 2.98Å; L374-E376 VanDerWaalsContact C-N 3.29Å; L374-E376 PolarHBondContact O-N 2.72Å; E376-Y378 VanDerWaalsContact C-N 3.31Å; E376-Y378 PolarHBondContact O-N 3.09Å; E376-A379 WeakPolarHBondContact O-CB 3.46Å; E376-A379 PolarHBondContact O-N 3.48Å
377	K	97.7	Very high	97.2	Very high	128 Å²	128	74.9 Å²	74.9	56%	0.557	37%	0.374	S	S	*	.	H	α-helix	trans	-57.2	-41.2	179.4	-177.5	178.3	175.5	-174.5	0	112.8	E40 K373 L374	E40-K377 IonicContact OE2-NZ 3.71Å; E40-K377 PolarHBondContact OE2-NZ 3.37Å; K373-K377 WeakPolarHBondContact O-CB 3.49Å; K373-K377 PolarHBondContact O-N 3.47Å; L374-K377 PolarHBondContact O-N 2.78Å
378	Y	97.9	Very high	97.2	Very high	16 Å²	16	73.9 Å²	73.9	6%	0.063	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	12.4	-176.4	-67.3	-87	0	0	0	113.9	S37 E40 Y41 A44 L374 E376 A380 F381	S37-Y378 PolarHBondContact O-OH 3.28Å; E40-Y378 HydrophobicContact CB-CE2 3.74Å; E40-Y378 WeakPolarHBondContact CB-OH 3.28Å; E40-Y378 PolarHBondContact OE2-OH 3.26Å; Y41-Y378 AromaticContact CD2-CD1 3.92Å; Y41-Y378 HydrophobicContact CD2-CD1 3.92Å; Y41-Y378 HydrophobicContact CD2-CE1 4.43Å; A44-Y378 HydrophobicContact CB-CD2 3.92Å; A44-Y378 HydrophobicContact CB-CG 4.16Å; L374-Y378 HydrophobicContact CD2-CD2 4.31Å; L374-Y378 HydrophobicContact CD2-CE2 3.99Å; L374-Y378 WeakPolarHBondContact O-CD2 3.3Å; L374-Y378 PolarHBondContact O-N 2.76Å; E376-Y378 VanDerWaalsContact C-N 3.31Å; E376-Y378 PolarHBondContact O-N 3.09Å; Y378-A380 PolarHBondContact O-N 3.01Å; Y378-A380 VanDerWaalsContact O-N 3.09Å; Y378-F381 AromaticContact CD1-CD2 3.7Å; Y378-F381 HydrophobicContact CD1-CD2 3.7Å; Y378-F381 AromaticContact CD1-CE2 3.43Å; Y378-F381 HydrophobicContact CD1-CE2 3.43Å; Y378-F381 VanDerWaalsContact CD1-CE2 3.43Å; Y378-F381 HydrophobicContact CD1-CZ 4.1Å; Y378-F381 HydrophobicContact CE1-CE2 4.09Å; Y378-F381 HydrophobicContact CE1-CZ 4.4Å; Y378-F381 HydrophobicContact CG-CD2 4.34Å; Y378-F381 HydrophobicContact CG-CE2 4.37Å; Y378-F381 WeakPolarHBondContact O-CD2 3.31Å; Y378-F381 PolarHBondContact O-N 3.03Å; Y378-F381 VanDerWaalsContact O-N 3.08Å
379	A	96.2	Very high	97.1	Very high	50 Å²	50	78.6 Å²	78.6	41%	0.413	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.1	-175.9	0	0	0	0	0	113.6	K375 E376 F381 R385	K375-A379 VanDerWaalsContact O-CA 3.32Å; K375-A379 WeakPolarHBondContact O-CA 3.43Å; K375-A379 VanDerWaalsContact O-CB 3.32Å; K375-A379 WeakPolarHBondContact O-CB 3.35Å; K375-A379 PolarHBondContact O-N 2.98Å; E376-A379 WeakPolarHBondContact O-CB 3.46Å; E376-A379 PolarHBondContact O-N 3.48Å; A379-F381 VanDerWaalsContact C-N 3.32Å; A379-F381 PolarHBondContact O-N 3.23Å; A379-R385 WeakPolarHBondContact O-CB 3.5Å
380	A	96.9	Very high	97.1	Very high	62 Å²	62	81 Å²	81	51%	0.512	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.7	-179.3	0	0	0	0	0	113.2	Y378 R385	Y378-A380 PolarHBondContact O-N 3.01Å; Y378-A380 VanDerWaalsContact O-N 3.09Å; A380-R385 VanDerWaalsContact CA-NH2 3.34Å; A380-R385 VanDerWaalsContact O-CZ 3.27Å; A380-R385 PolarHBondContact O-NE 2.79Å; A380-R385 PolarHBondContact O-NH2 3.38Å
381	F	97.8	Very high	96.9	Very high	95 Å²	95	79 Å²	79	42%	0.417	39%	0.385	S	S	.	.	S	Bend	trans	-69	137.7	-175.4	-75.6	-98.2	0	0	0	111.6	Y41 Y378 A379 E383 I384 R385	Y41-F381 HydrophobicContact CD2-CD1 4.33Å; Y41-F381 HydrophobicContact CD2-CG 4.31Å; Y41-F381 HydrophobicContact CE2-CB 3.89Å; Y41-F381 AromaticContact CE2-CD1 3.95Å; Y41-F381 HydrophobicContact CE2-CD1 3.95Å; Y41-F381 AromaticContact CE2-CG 3.92Å; Y41-F381 HydrophobicContact CE2-CG 3.92Å; Y378-F381 AromaticContact CD1-CD2 3.7Å; Y378-F381 HydrophobicContact CD1-CD2 3.7Å; Y378-F381 AromaticContact CD1-CE2 3.43Å; Y378-F381 HydrophobicContact CD1-CE2 3.43Å; Y378-F381 VanDerWaalsContact CD1-CE2 3.43Å; Y378-F381 HydrophobicContact CD1-CZ 4.1Å; Y378-F381 HydrophobicContact CE1-CE2 4.09Å; Y378-F381 HydrophobicContact CE1-CZ 4.4Å; Y378-F381 HydrophobicContact CG-CD2 4.34Å; Y378-F381 HydrophobicContact CG-CE2 4.37Å; Y378-F381 WeakPolarHBondContact O-CD2 3.31Å; Y378-F381 PolarHBondContact O-N 3.03Å; Y378-F381 VanDerWaalsContact O-N 3.08Å; A379-F381 VanDerWaalsContact C-N 3.32Å; A379-F381 PolarHBondContact O-N 3.23Å; F381-E383 PolarHBondContact O-N 3.45Å; F381-I384 HydrophobicContact CB-CB 4.44Å; F381-I384 HydrophobicContact CB-CD1 4.34Å; F381-I384 PolarHBondContact O-N 3.02Å; F381-R385 WeakPolarHBondContact O-CB 3.15Å; F381-R385 PolarHBondContact O-N 3.33Å
382	P	97.6	Very high	96.8	Very high	101 Å²	101	85.4 Å²	85.4	66%	0.656	41%	0.41	S	S	*	.	H	α-helix	trans	-56.5	-44.9	-170.5	-27.1	34.3	0	0	0	114.5	R386	P382-R386 WeakPolarHBondContact O-CB 3.39Å; P382-R386 PolarHBondContact O-N 2.88Å
383	E	97.4	Very high	96.8	Very high	90 Å²	90	83.1 Å²	83.1	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-65.8	-48.9	-178.8	-61.4	-170.4	143	0	0	111.9	Y41 L45 F381 R386 I387	Y41-E383 PolarHBondContact OH-OE2 3.42Å; L45-E383 HydrophobicContact CD1-CB 4.4Å; F381-E383 PolarHBondContact O-N 3.45Å; E383-R386 PolarHBondContact O-N 3.35Å; E383-I387 VanDerWaalsContact O-CG1 3.29Å; E383-I387 WeakPolarHBondContact O-CG1 3.32Å; E383-I387 PolarHBondContact O-N 3.05Å
384	I	97.7	Very high	96.7	Very high	2 Å²	2	78.1 Å²	78.1	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-60.6	-48.6	178.3	-66.6	178	0	0	0	109.5	Y41 A44 L45 V48 F381 R386 I387 A388	Y41-I384 HydrophobicContact CD2-CD1 3.78Å; Y41-I384 HydrophobicContact CE2-CD1 3.5Å; Y41-I384 VanDerWaalsContact CE2-CD1 3.5Å; Y41-I384 HydrophobicContact CE2-CG1 4.05Å; A44-I384 HydrophobicContact CB-CD1 3.93Å; L45-I384 HydrophobicContact CB-CG1 4.33Å; L45-I384 HydrophobicContact CD1-CG1 4Å; V48-I384 HydrophobicContact CG2-CG2 3.7Å; F381-I384 HydrophobicContact CB-CB 4.44Å; F381-I384 HydrophobicContact CB-CD1 4.34Å; F381-I384 PolarHBondContact O-N 3.02Å; I384-R386 PolarHBondContact O-N 2.95Å; I384-I387 PolarHBondContact O-N 3.48Å; I384-A388 WeakPolarHBondContact O-CB 3.48Å; I384-A388 PolarHBondContact O-N 2.96Å
385	R	97.3	Very high	96.7	Very high	117 Å²	117	85.8 Å²	85.8	44%	0.442	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-43.7	178.3	-167	-170.6	-61	-167.6	-1	111.9	A379 A380 F381 K389	A379-R385 WeakPolarHBondContact O-CB 3.5Å; A380-R385 VanDerWaalsContact CA-NH2 3.34Å; A380-R385 VanDerWaalsContact O-CZ 3.27Å; A380-R385 PolarHBondContact O-NE 2.79Å; A380-R385 PolarHBondContact O-NH2 3.38Å; F381-R385 WeakPolarHBondContact O-CB 3.15Å; F381-R385 PolarHBondContact O-N 3.33Å; R385-K389 HydrophobicContact CG-CD 4.17Å; R385-K389 WeakPolarHBondContact O-CB 3.47Å; R385-K389 VanDerWaalsContact O-CG 3.31Å; R385-K389 WeakPolarHBondContact O-CG 3.5Å; R385-K389 PolarHBondContact O-N 3.34Å
386	R	97.7	Very high	96.6	Very high	173 Å²	173	89.1 Å²	89.1	65%	0.653	43%	0.431	S	S	*	.	H	α-helix	trans	-62.3	-49.2	178.7	-178.5	-177.8	65.7	179.7	-2.4	111	P382 E383 I384 H390	P382-R386 WeakPolarHBondContact O-CB 3.39Å; P382-R386 PolarHBondContact O-N 2.88Å; E383-R386 PolarHBondContact O-N 3.35Å; I384-R386 PolarHBondContact O-N 2.95Å; R386-H390 WeakPolarHBondContact O-CB 3.4Å; R386-H390 PolarHBondContact O-N 3.46Å
387	I	97.6	Very high	96.7	Very high	38 Å²	38	83.3 Å²	83.3	20%	0.195	40%	0.404	C	S	.	.	H	α-helix	trans	-67.6	-42.3	-179.3	-59.8	166.4	0	0	0	110.5	L45 V48 K49 R52 E383 I384 K389 H390	L45-I387 HydrophobicContact CD1-CD1 3.69Å; V48-I387 HydrophobicContact CG1-CB 3.9Å; V48-I387 HydrophobicContact CG1-CG2 3.66Å; K49-I387 HydrophobicContact CG-CD1 4.17Å; K49-I387 HydrophobicContact CG-CG2 4.49Å; R52-I387 HydrophobicContact CG-CG2 3.91Å; E383-I387 VanDerWaalsContact O-CG1 3.29Å; E383-I387 WeakPolarHBondContact O-CG1 3.32Å; E383-I387 PolarHBondContact O-N 3.05Å; I384-I387 PolarHBondContact O-N 3.48Å; I387-K389 VanDerWaalsContact C-N 3.34Å; I387-K389 PolarHBondContact O-N 2.7Å; I387-H390 PolarHBondContact O-N 3.41Å
388	A	96	Very high	96.6	Very high	36 Å²	36	83.8 Å²	83.8	30%	0.298	40%	0.403	S	S	.	.	H	α-helix	trans	-63	-38.8	179.7	0	0	0	0	0	112.5	V48 I384 R391	V48-A388 HydrophobicContact CG1-CB 3.88Å; I384-A388 WeakPolarHBondContact O-CB 3.48Å; I384-A388 PolarHBondContact O-N 2.96Å; A388-R391 PolarHBondContact O-NH1 2.84Å; A388-R391 PolarHBondContact O-NH2 2.88Å
389	K	94.3	Very high	96.6	Very high	152 Å²	152	86.9 Å²	86.9	66%	0.661	42%	0.42	S	S	*	.	H	α-helix	trans	-81	-21	178.7	-71.3	-174	177.8	-169.6	0	114.3	R385 I387 R391	R385-K389 HydrophobicContact CG-CD 4.17Å; R385-K389 WeakPolarHBondContact O-CB 3.47Å; R385-K389 VanDerWaalsContact O-CG 3.31Å; R385-K389 WeakPolarHBondContact O-CG 3.5Å; R385-K389 PolarHBondContact O-N 3.34Å; I387-K389 VanDerWaalsContact C-N 3.34Å; I387-K389 PolarHBondContact O-N 2.7Å; K389-R391 PolarHBondContact O-N 3.29Å
390	H	95.9	Very high	96.7	Very high	133 Å²	133	85.9 Å²	85.9	62%	0.616	41%	0.412	S	S	*	.			trans	-64.5	124	-176.2	-178.9	-93.1	0	0	0	111.4	R386 I387	R386-H390 WeakPolarHBondContact O-CB 3.4Å; R386-H390 PolarHBondContact O-N 3.46Å; I387-H390 PolarHBondContact O-N 3.41Å
391	R	94.7	Very high	96.7	Very high	58 Å²	58	86.8 Å²	86.8	22%	0.219	41%	0.405	C	S	.	.			trans	-135.6	138.7	171.7	-64.2	-66.5	179.8	-77.1	-10.3	108.2	R52 R314 I316 A388 K389 L393	R52-R391 VanDerWaalsContact CZ-NH1 3.33Å; R52-R391 VanDerWaalsContact CZ-NH2 3.32Å; R52-R391 VanDerWaalsContact NH1-NH1 3.18Å; R52-R391 VanDerWaalsContact NH2-NH2 3.18Å; R314-R391 PolarHBondContact O-NH2 3.44Å; I316-R391 HydrophobicContact CG2-CB 3.95Å; I316-R391 HydrophobicContact CG2-CG 4.12Å; A388-R391 PolarHBondContact O-NH1 2.84Å; A388-R391 PolarHBondContact O-NH2 2.88Å; K389-R391 PolarHBondContact O-N 3.29Å; R391-L393 PolarHBondContact O-N 2.83Å
392	Q	94.5	Very high	96.6	Very high	159 Å²	159	88.8 Å²	88.8	74%	0.743	41%	0.413	S	S	*	.			trans	-74	124.4	171.2	-173.8	175.6	8	0	0	108.5	H318	H318-Q392 PolarHBondContact NE2-O 3.4Å
393	L	95.7	Very high	96.6	Very high	42 Å²	42	89.6 Å²	89.6	22%	0.22	41%	0.408	C	S	.	.			trans	-108.9	147.4	177.1	-64.6	175.8	0	0	0	109.9	I316 R391 Y398	I316-L393 HydrophobicContact CD1-CD2 3.48Å; I316-L393 VanDerWaalsContact CD1-CD2 3.48Å; I316-L393 HydrophobicContact CG2-CD2 3.83Å; R391-L393 PolarHBondContact O-N 2.83Å; L393-Y398 HydrophobicContact CD1-CD2 4.36Å
394	P	96.7	Very high	96.6	Very high	26 Å²	26	87 Å²	87	17%	0.169	40%	0.397	C	S	.	.			trans	-57.2	145.9	166.1	-20.1	31.4	0	0	0	110.6	H318 H396 V397 Y398	H318-P394 HydrophobicContact CB-CG 4.09Å; H318-P394 WeakPolarHBondContact ND1-CG 3.28Å; P394-H396 VanDerWaalsContact C-N 3.28Å; P394-H396 WeakPolarHBondContact CB-CE1 3.41Å; P394-H396 PolarHBondContact O-N 3.14Å; P394-V397 HydrophobicContact CB-CB 4.48Å; P394-V397 HydrophobicContact CB-CG2 4.11Å; P394-V397 HydrophobicContact CG-CG2 4.02Å; P394-V397 PolarHBondContact O-N 3.44Å; P394-V397 VanDerWaalsContact O-N 3.15Å; P394-Y398 PolarHBondContact O-N 3.29Å
395	K	96.7	Very high	96.5	Very high	169 Å²	169	94.8 Å²	94.8	74%	0.735	43%	0.426	S	S	*	.	H	α-helix	trans	-55	-42.2	-177.2	-172.7	176.7	179.7	-178.9	0	112.6	Y398 N399	K395-Y398 PolarHBondContact O-N 2.86Å; K395-N399 WeakPolarHBondContact O-CB 3.5Å; K395-N399 VanDerWaalsContact O-CG 3.23Å; K395-N399 PolarHBondContact O-N 3.5Å
396	H	96.2	Very high	96.6	Very high	102 Å²	102	92.8 Å²	92.8	47%	0.472	43%	0.427	S	S	.	.	H	α-helix	trans	-64.1	-46.3	179.1	64.8	-86.9	0	0	0	112	P394 Y398 N399 A400	P394-H396 VanDerWaalsContact C-N 3.28Å; P394-H396 WeakPolarHBondContact CB-CE1 3.41Å; P394-H396 PolarHBondContact O-N 3.14Å; H396-Y398 PolarHBondContact O-N 3.44Å; H396-N399 PolarHBondContact O-N 3.22Å; H396-A400 WeakPolarHBondContact O-CB 3.37Å; H396-A400 PolarHBondContact O-N 3.32Å
397	V	97.1	Very high	96.5	Very high	1 Å²	1	87.8 Å²	87.8	1%	0.006	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-42	176	-177.3	0	0	0	0	111.2	V279 T302 P394 K401	V279-V397 HydrophobicContact CG2-CG1 3.99Å; T302-V397 HydrophobicContact CG2-CG2 3.96Å; P394-V397 HydrophobicContact CB-CB 4.48Å; P394-V397 HydrophobicContact CB-CG2 4.11Å; P394-V397 HydrophobicContact CG-CG2 4.02Å; P394-V397 PolarHBondContact O-N 3.44Å; P394-V397 VanDerWaalsContact O-N 3.15Å; V397-K401 WeakPolarHBondContact O-CB 3.26Å; V397-K401 PolarHBondContact O-N 3.48Å
398	Y	96.8	Very high	96.3	Very high	138 Å²	138	90.4 Å²	90.4	54%	0.541	42%	0.42	S	S	.	.	H	α-helix	trans	-62.4	-47.4	178.7	179.4	-95.7	0	0	0	112	L393 P394 K395 H396 K401 K402	L393-Y398 HydrophobicContact CD1-CD2 4.36Å; P394-Y398 PolarHBondContact O-N 3.29Å; K395-Y398 PolarHBondContact O-N 2.86Å; H396-Y398 PolarHBondContact O-N 3.44Å; Y398-K401 PolarHBondContact O-N 3.41Å; Y398-K402 PolarHBondContact O-N 2.91Å
399	N	98	Very high	96.4	Very high	80 Å²	80	92.7 Å²	92.7	43%	0.428	42%	0.424	S	S	.	.	H	α-helix	trans	-64.1	-48.6	179.7	-72.6	-6.7	0	0	0	111.4	K395 H396 K401 K402 E403	K395-N399 WeakPolarHBondContact O-CB 3.5Å; K395-N399 VanDerWaalsContact O-CG 3.23Å; K395-N399 PolarHBondContact O-N 3.5Å; H396-N399 PolarHBondContact O-N 3.22Å; N399-K401 VanDerWaalsContact C-N 3.32Å; N399-K401 PolarHBondContact O-N 2.95Å; N399-K402 WeakPolarHBondContact O-CB 3.43Å; N399-K402 PolarHBondContact O-N 3.04Å; N399-K402 VanDerWaalsContact O-N 3.07Å; N399-E403 PolarHBondContact O-N 2.96Å
400	A	97.8	Very high	96.5	Very high	29 Å²	29	88 Å²	88	24%	0.24	41%	0.41	C	S	.	.	H	α-helix	trans	-69.6	-29.4	-179.4	0	0	0	0	0	112.1	V279 H396 E403 L404	V279-A400 HydrophobicContact CG1-CB 3.22Å; H396-A400 WeakPolarHBondContact O-CB 3.37Å; H396-A400 PolarHBondContact O-N 3.32Å; A400-E403 PolarHBondContact O-N 3.42Å; A400-L404 WeakPolarHBondContact O-CB 3.47Å; A400-L404 WeakPolarHBondContact O-CG 3.48Å; A400-L404 PolarHBondContact O-N 2.58Å
401	K	96.6	Very high	96.5	Very high	82 Å²	82	90.4 Å²	90.4	36%	0.357	41%	0.414	S	S	.	.	H	α-helix	trans	-62.3	-42.1	167.1	-177.5	169.8	-171.9	154.6	0	112.2	D277 V279 V397 Y398 N399 R405	D277-K401 IonicContact OD1-NZ 3.78Å; D277-K401 PolarHBondContact OD1-NZ 3.46Å; V279-K401 HydrophobicContact CG2-CB 4.02Å; V397-K401 WeakPolarHBondContact O-CB 3.26Å; V397-K401 PolarHBondContact O-N 3.48Å; Y398-K401 PolarHBondContact O-N 3.41Å; N399-K401 VanDerWaalsContact C-N 3.32Å; N399-K401 PolarHBondContact O-N 2.95Å; K401-R405 WeakPolarHBondContact O-CB 3.45Å; K401-R405 PolarHBondContact O-N 3.08Å
402	K	97.1	Very high	96.4	Very high	136 Å²	136	92.6 Å²	92.6	59%	0.591	43%	0.425	S	S	*	.	H	α-helix	trans	-63.4	-43.6	176.8	-174.6	-178	177.5	-175.9	0	110.7	Y398 N399 R405 T406	Y398-K402 PolarHBondContact O-N 2.91Å; N399-K402 WeakPolarHBondContact O-CB 3.43Å; N399-K402 PolarHBondContact O-N 3.04Å; N399-K402 VanDerWaalsContact O-N 3.07Å; K402-R405 WeakPolarHBondContact O-CB 3.3Å; K402-R405 PolarHBondContact O-N 2.61Å; K402-T406 PolarHBondContact O-N 3.32Å
403	E	97.5	Very high	96.5	Very high	119 Å²	119	92.8 Å²	92.8	56%	0.556	42%	0.419	S	S	*	.	H	α-helix	trans	-63.4	-47.2	176.2	-173.3	-179.1	175.4	0	0	112.5	N399 A400 R405 T406 I407	N399-E403 PolarHBondContact O-N 2.96Å; A400-E403 PolarHBondContact O-N 3.42Å; E403-R405 PolarHBondContact O-N 2.78Å; E403-T406 PolarHBondContact O-N 3.04Å; E403-T406 VanDerWaalsContact O-N 3.12Å; E403-T406 PolarHBondContact O-OG1 3.36Å; E403-I407 HydrophobicContact CG-CD1 3.98Å; E403-I407 WeakPolarHBondContact O-CG1 3.35Å; E403-I407 PolarHBondContact O-N 2.89Å
404	L	96.4	Very high	96.5	Very high	34 Å²	34	97.9 Å²	97.9	18%	0.178	44%	0.439	C	S	.	.	H	α-helix	trans	-59.6	-35.9	175.5	-76	174.5	0	0	0	112.2	Y258 V279 A400 R408	Y258-L404 HydrophobicContact CD2-CD1 4.03Å; Y258-L404 HydrophobicContact CD2-CD2 4.16Å; Y258-L404 HydrophobicContact CE2-CD1 4.41Å; Y258-L404 HydrophobicContact CE2-CD2 3.99Å; V279-L404 HydrophobicContact CB-CD1 4.12Å; V279-L404 HydrophobicContact CG1-CD1 3.84Å; V279-L404 HydrophobicContact CG2-CD1 4.35Å; A400-L404 WeakPolarHBondContact O-CB 3.47Å; A400-L404 WeakPolarHBondContact O-CG 3.48Å; A400-L404 PolarHBondContact O-N 2.58Å; L404-R408 WeakPolarHBondContact O-CB 3.02Å; L404-R408 VanDerWaalsContact O-CG 3.27Å; L404-R408 WeakPolarHBondContact O-CG 3.06Å; L404-R408 PolarHBondContact O-N 2.92Å
405	R	96.3	Very high	96.3	Very high	166 Å²	166	98.7 Å²	98.7	63%	0.626	44%	0.441	S	S	*	.	H	α-helix	trans	-64.7	-46.5	175.1	-177.5	178.5	173.6	-178.6	-1.3	111.6	K401 K402 E403 I407 R408 E409	K401-R405 WeakPolarHBondContact O-CB 3.45Å; K401-R405 PolarHBondContact O-N 3.08Å; K402-R405 WeakPolarHBondContact O-CB 3.3Å; K402-R405 PolarHBondContact O-N 2.61Å; E403-R405 PolarHBondContact O-N 2.78Å; R405-I407 VanDerWaalsContact C-N 3.34Å; R405-I407 PolarHBondContact O-N 3.44Å; R405-R408 PolarHBondContact O-N 2.93Å; R405-E409 HydrophobicContact CG-CG 4.48Å; R405-E409 WeakPolarHBondContact CG-OE1 3.37Å; R405-E409 IonicContact CZ-OE1 3.07Å; R405-E409 IonicContact NE-OE1 3.69Å; R405-E409 PolarHBondContact NE-OE1 3.25Å; R405-E409 IonicContact NH2-OE1 3.29Å; R405-E409 PolarHBondContact NH2-OE1 2.95Å; R405-E409 WeakPolarHBondContact O-CB 3.38Å; R405-E409 WeakPolarHBondContact O-CG 3.41Å; R405-E409 PolarHBondContact O-N 3.47Å
406	T	98	Very high	96.1	Very high	75 Å²	75	93.1 Å²	93.1	46%	0.46	42%	0.423	S	S	.	.	H	α-helix	trans	-64.6	-39.2	178.2	56.8	0	0	0	0	111.5	K402 E403 E409 S410	K402-T406 PolarHBondContact O-N 3.32Å; E403-T406 PolarHBondContact O-N 3.04Å; E403-T406 VanDerWaalsContact O-N 3.12Å; E403-T406 PolarHBondContact O-OG1 3.36Å; T406-E409 PolarHBondContact O-N 2.99Å; T406-S410 VanDerWaalsContact O-CB 3.28Å; T406-S410 WeakPolarHBondContact O-CB 3.31Å; T406-S410 PolarHBondContact O-N 2.96Å
407	I	96.6	Very high	96	Very high	68 Å²	68	91.7 Å²	91.7	35%	0.349	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-46.9	174.2	-67.3	168.1	0	0	0	110.9	E403 R405 S410 R411	E403-I407 HydrophobicContact CG-CD1 3.98Å; E403-I407 WeakPolarHBondContact O-CG1 3.35Å; E403-I407 PolarHBondContact O-N 2.89Å; R405-I407 VanDerWaalsContact C-N 3.34Å; R405-I407 PolarHBondContact O-N 3.44Å; I407-S410 PolarHBondContact O-N 3.43Å; I407-R411 PolarHBondContact O-N 3.02Å
408	R	94.2	Very high	95.8	Very high	93 Å²	93	98.5 Å²	98.5	35%	0.351	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-45.1	178.6	-76	176.4	-174.5	-176.6	-0.7	111.8	N259 L404 R405 S410 R411 K412	N259-R408 PolarHBondContact OD1-NH2 3.47Å; L404-R408 WeakPolarHBondContact O-CB 3.02Å; L404-R408 VanDerWaalsContact O-CG 3.27Å; L404-R408 WeakPolarHBondContact O-CG 3.06Å; L404-R408 PolarHBondContact O-N 2.92Å; R405-R408 PolarHBondContact O-N 2.93Å; R408-S410 VanDerWaalsContact C-N 3.34Å; R408-R411 PolarHBondContact O-N 3.5Å; R408-K412 WeakPolarHBondContact O-CB 3.15Å; R408-K412 WeakPolarHBondContact O-CG 3.48Å; R408-K412 PolarHBondContact O-N 3.09Å
409	E	96.6	Very high	95.5	Very high	85 Å²	85	94.4 Å²	94.4	40%	0.397	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.2	-72.8	173.3	-174.3	0	0	111.5	R405 T406 K412 R413	R405-E409 HydrophobicContact CG-CG 4.48Å; R405-E409 WeakPolarHBondContact CG-OE1 3.37Å; R405-E409 IonicContact CZ-OE1 3.07Å; R405-E409 IonicContact NE-OE1 3.69Å; R405-E409 PolarHBondContact NE-OE1 3.25Å; R405-E409 IonicContact NH2-OE1 3.29Å; R405-E409 PolarHBondContact NH2-OE1 2.95Å; R405-E409 WeakPolarHBondContact O-CB 3.38Å; R405-E409 WeakPolarHBondContact O-CG 3.41Å; R405-E409 PolarHBondContact O-N 3.47Å; T406-E409 PolarHBondContact O-N 2.99Å; E409-K412 PolarHBondContact O-N 3.46Å; E409-R413 WeakPolarHBondContact O-CB 3.38Å; E409-R413 PolarHBondContact O-N 3.3Å
410	S	97.7	Very high	95.2	Very high	52 Å²	52	97 Å²	97	36%	0.364	44%	0.443	S	S	.	.	H	α-helix	trans	-63.4	-47.5	174.3	-179.9	0	0	0	0	112.3	T406 I407 R408 K412 R413 K414	T406-S410 VanDerWaalsContact O-CB 3.28Å; T406-S410 WeakPolarHBondContact O-CB 3.31Å; T406-S410 PolarHBondContact O-N 2.96Å; I407-S410 PolarHBondContact O-N 3.43Å; R408-S410 VanDerWaalsContact C-N 3.34Å; S410-K412 PolarHBondContact O-N 3.25Å; S410-R413 PolarHBondContact O-N 2.99Å; S410-K414 WeakPolarHBondContact O-CG 3.42Å; S410-K414 PolarHBondContact O-N 3.48Å
411	R	94.8	Very high	95	Very high	184 Å²	184	103.4 Å²	103.4	69%	0.694	47%	0.467	S	S	*	.	H	α-helix	trans	-59.3	-46.1	175.3	-81.3	-172.5	-174.4	178.4	2.9	111.9	I407 R408 R413 K414 E415	I407-R411 PolarHBondContact O-N 3.02Å; R408-R411 PolarHBondContact O-N 3.5Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 2.71Å; R411-K414 PolarHBondContact O-N 3.47Å; R411-E415 WeakPolarHBondContact O-CB 3.27Å; R411-E415 PolarHBondContact O-N 2.95Å
412	K	93.1	Very high	94.9	Very high	104 Å²	104	100.8 Å²	100.8	45%	0.452	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-43.8	176.9	-74.7	-179	-178.3	-164.6	0	111.5	R408 E409 S410 E415 C416 E432	R408-K412 WeakPolarHBondContact O-CB 3.15Å; R408-K412 WeakPolarHBondContact O-CG 3.48Å; R408-K412 PolarHBondContact O-N 3.09Å; E409-K412 PolarHBondContact O-N 3.46Å; S410-K412 PolarHBondContact O-N 3.25Å; K412-E415 PolarHBondContact O-N 3.42Å; K412-C416 WeakPolarHBondContact O-CB 3.46Å; K412-C416 PolarHBondContact O-N 2.92Å; K412-C416 PolarHBondContact O-SG 2.97Å; K412-E432 WeakPolarHBondContact CE-OE1 3.41Å; K412-E432 IonicContact NZ-OE1 3.67Å; K412-E432 PolarHBondContact NZ-OE1 2.76Å
413	R	96	Very high	94.7	Very high	164 Å²	164	102.6 Å²	102.6	62%	0.619	47%	0.467	S	S	*	.	H	α-helix	trans	-62	-46.7	176.8	-167.6	-174.8	-53	178	3.3	112.1	E409 S410 R411 E415 C416 N417	E409-R413 WeakPolarHBondContact O-CB 3.38Å; E409-R413 PolarHBondContact O-N 3.3Å; S410-R413 PolarHBondContact O-N 2.99Å; R411-R413 VanDerWaalsContact C-N 3.32Å; R411-R413 PolarHBondContact O-N 2.71Å; R413-E415 VanDerWaalsContact C-N 3.32Å; R413-E415 PolarHBondContact O-N 2.88Å; R413-C416 PolarHBondContact O-N 3.3Å; R413-N417 WeakPolarHBondContact O-CB 3.38Å; R413-N417 VanDerWaalsContact O-CG 3.28Å; R413-N417 PolarHBondContact O-N 3.09Å; R413-N417 PolarHBondContact O-OD1 2.84Å
414	K	96	Very high	94.3	Very high	148 Å²	148	103 Å²	103	64%	0.643	48%	0.48	S	S	*	.	H	α-helix	trans	-59.8	-42.4	176.8	-71.8	-178.2	-179	-172.2	0	111.9	S410 R411 N417 R418	S410-K414 WeakPolarHBondContact O-CG 3.42Å; S410-K414 PolarHBondContact O-N 3.48Å; R411-K414 PolarHBondContact O-N 3.47Å; K414-N417 PolarHBondContact O-N 2.94Å; K414-R418 WeakPolarHBondContact O-CB 3.39Å; K414-R418 PolarHBondContact O-N 3.26Å
415	E	92.1	Very high	93.8	Very high	43 Å²	43	104.6 Å²	104.6	20%	0.201	50%	0.504	C	S	.	.	H	α-helix	trans	-64.9	-45.4	177.1	-170.5	177.9	179.1	0	0	111.8	R411 K412 R413 N417 R418 I419 K435	R411-E415 WeakPolarHBondContact O-CB 3.27Å; R411-E415 PolarHBondContact O-N 2.95Å; K412-E415 PolarHBondContact O-N 3.42Å; R413-E415 VanDerWaalsContact C-N 3.32Å; R413-E415 PolarHBondContact O-N 2.88Å; E415-N417 PolarHBondContact O-N 3.42Å; E415-R418 PolarHBondContact O-N 3.01Å; E415-I419 HydrophobicContact CG-CD1 4.29Å; E415-I419 WeakPolarHBondContact O-CG1 3.42Å; E415-I419 PolarHBondContact O-N 2.98Å; E415-K435 IonicContact OE1-NZ 3.37Å; E415-K435 PolarHBondContact OE1-NZ 3.25Å; E415-K435 IonicContact OE2-NZ 2.73Å; E415-K435 PolarHBondContact OE2-NZ 2.72Å
416	C	92.5	Very high	93.5	Very high	52 Å²	52	100.2 Å²	100.2	35%	0.351	50%	0.499	S	S	.	.	H	α-helix	trans	-60.4	-45	175	-70.1	0	0	0	0	112.2	K412 R413 R418 I419 M420	K412-C416 WeakPolarHBondContact O-CB 3.46Å; K412-C416 PolarHBondContact O-N 2.92Å; K412-C416 PolarHBondContact O-SG 2.97Å; R413-C416 PolarHBondContact O-N 3.3Å; C416-R418 VanDerWaalsContact C-N 3.34Å; C416-R418 PolarHBondContact O-N 2.93Å; C416-I419 PolarHBondContact O-N 3.34Å; C416-M420 HydrophobicContact CB-CE 3.97Å; C416-M420 WeakPolarHBondContact O-CG 3.39Å; C416-M420 PolarHBondContact O-N 3.16Å
417	N	94.7	Very high	92.9	Very high	72 Å²	72	99.2 Å²	99.2	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-42.5	177.6	-71.3	5.5	0	0	0	111.1	R413 K414 E415 I419 M420 H421	R413-N417 WeakPolarHBondContact O-CB 3.38Å; R413-N417 VanDerWaalsContact O-CG 3.28Å; R413-N417 PolarHBondContact O-N 3.09Å; R413-N417 PolarHBondContact O-OD1 2.84Å; K414-N417 PolarHBondContact O-N 2.94Å; E415-N417 PolarHBondContact O-N 3.42Å; N417-I419 VanDerWaalsContact C-N 3.31Å; N417-I419 PolarHBondContact O-N 2.9Å; N417-M420 PolarHBondContact O-N 2.84Å; N417-H421 PolarHBondContact O-CD2 3.42Å; N417-H421 PolarHBondContact O-N 3.45Å
418	R	93.9	Very high	92.4	Very high	145 Å²	145	102.4 Å²	102.4	55%	0.547	51%	0.508	S	S	.	.	H	α-helix	trans	-60.3	-41.6	176.9	-170.2	-178.6	62.1	-161	0.2	111.6	K414 E415 C416 S422 I427	K414-R418 WeakPolarHBondContact O-CB 3.39Å; K414-R418 PolarHBondContact O-N 3.26Å; E415-R418 PolarHBondContact O-N 3.01Å; C416-R418 VanDerWaalsContact C-N 3.34Å; C416-R418 PolarHBondContact O-N 2.93Å; R418-S422 WeakPolarHBondContact O-CB 3.16Å; R418-S422 PolarHBondContact O-N 2.8Å; R418-S422 VanDerWaalsContact O-N 3.13Å; R418-S422 PolarHBondContact O-OG 3.19Å; R418-I427 HydrophobicContact CG-CD1 3.63Å
419	I	90.7	Very high	92	Very high	52 Å²	52	107.8 Å²	107.8	27%	0.267	53%	0.528	S	S	.	.	H	α-helix	trans	-64.9	-48.3	175.8	-66.5	164.4	0	0	0	110.4	E415 C416 N417 H421 S422 I427 R429	E415-I419 HydrophobicContact CG-CD1 4.29Å; E415-I419 WeakPolarHBondContact O-CG1 3.42Å; E415-I419 PolarHBondContact O-N 2.98Å; C416-I419 PolarHBondContact O-N 3.34Å; N417-I419 VanDerWaalsContact C-N 3.31Å; N417-I419 PolarHBondContact O-N 2.9Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 2.88Å; I419-S422 PolarHBondContact O-N 3.12Å; I419-S422 PolarHBondContact O-OG 3.08Å; I419-I427 HydrophobicContact CG1-CB 4.3Å; I419-I427 HydrophobicContact CG1-CG2 3.83Å; I419-R429 HydrophobicContact CD1-CB 4.39Å
420	M	91.5	Very high	91.6	Very high	135 Å²	135	107 Å²	107	67%	0.665	53%	0.528	S	S	*	.	H	α-helix	trans	-63.4	-35.6	-177.7	-75.4	-170.1	-102.9	0	0	113.8	C416 N417	C416-M420 HydrophobicContact CB-CE 3.97Å; C416-M420 WeakPolarHBondContact O-CG 3.39Å; C416-M420 PolarHBondContact O-N 3.16Å; N417-M420 PolarHBondContact O-N 2.84Å
421	H	93.9	Very high	91.2	Very high	162 Å²	162	108 Å²	108	75%	0.75	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	2	-179.9	-62.6	-62.5	0	0	0	113.8	N417 I419	N417-H421 PolarHBondContact O-CD2 3.42Å; N417-H421 PolarHBondContact O-N 3.45Å; I419-H421 VanDerWaalsContact C-N 3.34Å; I419-H421 PolarHBondContact O-N 2.88Å
422	S	93.9	Very high	90.8	Very high	28 Å²	28	104.3 Å²	104.3	20%	0.196	53%	0.525	C	S	.	.	S	Bend	trans	-91.6	156.9	172.7	67.3	0	0	0	0	111	R418 I419 S426	R418-S422 WeakPolarHBondContact O-CB 3.16Å; R418-S422 PolarHBondContact O-N 2.8Å; R418-S422 VanDerWaalsContact O-N 3.13Å; R418-S422 PolarHBondContact O-OG 3.19Å; I419-S422 PolarHBondContact O-N 3.12Å; I419-S422 PolarHBondContact O-OG 3.08Å; S422-S426 WeakPolarHBondContact CB-OG 3.43Å; S422-S426 PolarHBondContact OG-OG 2.99Å
423	K	93.1	Very high	90.6	Very high	174 Å²	174	104.7 Å²	104.7	76%	0.757	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-52.7	132.8	173.7	-172.9	177.8	-179.4	179.4	0	109.3	G425 S426	K423-G425 PolarHBondContact O-N 2.97Å; K423-S426 WeakPolarHBondContact O-CB 3.49Å; K423-S426 PolarHBondContact O-N 2.9Å; K423-S426 PolarHBondContact O-OG 3.49Å
424	P	88.9	Confident	90.3	Very high	128 Å²	128	101.4 Å²	101.4	83%	0.831	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	127.4	-179.8	-27.9	33.7	0	0	0	111.6	S426	P424-S426 PolarHBondContact O-N 3.37Å
425	G	85.7	Confident	90	Very high	66 Å²	66	98 Å²	98	68%	0.68	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-7.9	180	0	0	0	0	0	116.3	K423	K423-G425 PolarHBondContact O-N 2.97Å
426	S	89.6	Confident	90	Very high	75 Å²	75	97.9 Å²	97.9	52%	0.524	50%	0.498	S	S	.	.	S	Bend	trans	-73.1	-34.3	179.4	62.2	0	0	0	0	113.6	S422 K423 P424	S422-S426 WeakPolarHBondContact CB-OG 3.43Å; S422-S426 PolarHBondContact OG-OG 2.99Å; K423-S426 WeakPolarHBondContact O-CB 3.49Å; K423-S426 PolarHBondContact O-N 2.9Å; K423-S426 PolarHBondContact O-OG 3.49Å; P424-S426 PolarHBondContact O-N 3.37Å
427	I	86.5	Confident	90.1	Very high	53 Å²	53	96.3 Å²	96.3	27%	0.272	49%	0.486	S	S	.	.	S	Bend	trans	-118.4	109.9	179.4	-55.9	177.5	0	0	0	109	R418 I419	R418-I427 HydrophobicContact CG-CD1 3.63Å; I419-I427 HydrophobicContact CG1-CB 4.3Å; I419-I427 HydrophobicContact CG1-CG2 3.83Å
428	L	85.3	Confident	89.9	Confident	136 Å²	136	97.3 Å²	97.3	71%	0.712	49%	0.491	S	S	*	.			trans	-83.4	141.8	177.1	-61.5	176.5	0	0	0	111.2	V430	L428-V430 PolarHBondContact O-N 3.08Å
429	R	86.1	Confident	89.8	Confident	206 Å²	206	97.1 Å²	97.1	78%	0.777	49%	0.49	S	S	*	.			trans	-76.9	105.6	175.2	-172.5	175.8	-178.9	173.3	-0.4	109.6	I419	I419-R429 HydrophobicContact CD1-CB 4.39Å
430	V	87.8	Confident	89.8	Confident	67 Å²	67	97.7 Å²	97.7	41%	0.406	49%	0.492	S	S	.	.			trans	-76.5	128.4	174.9	-175.4	0	0	0	0	109.5	L428 K434 K435	L428-V430 PolarHBondContact O-N 3.08Å; V430-K434 HydrophobicContact CG1-CB 3.8Å; V430-K435 HydrophobicContact CB-CG 4.22Å; V430-K435 HydrophobicContact CG1-CG 3.88Å; V430-K435 WeakPolarHBondContact O-CE 3.39Å
431	P	89.5	Confident	89.7	Confident	73 Å²	73	93.4 Å²	93.4	47%	0.474	47%	0.47	S	S	.	.			trans	-57.1	143.2	172.9	-22.3	32.1	0	0	0	111.4	R433 K434 K435	P431-R433 PolarHBondContact O-N 3Å; P431-R433 VanDerWaalsContact O-N 3.07Å; P431-K434 PolarHBondContact O-N 3.04Å; P431-K435 PolarHBondContact O-N 3.33Å
432	E	86.8	Confident	89.2	Confident	108 Å²	108	93.2 Å²	93.2	51%	0.505	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34.4	-179	-77.5	-175	168.4	0	0	112.8	K412 K434 K435 H436	K412-E432 WeakPolarHBondContact CE-OE1 3.41Å; K412-E432 IonicContact NZ-OE1 3.67Å; K412-E432 PolarHBondContact NZ-OE1 2.76Å; E432-K434 PolarHBondContact O-N 3.13Å; E432-K435 PolarHBondContact O-N 3.37Å; E432-H436 PolarHBondContact O-CD2 3.2Å
433	R	88.9	Confident	88.9	Confident	112 Å²	112	96.5 Å²	96.5	42%	0.423	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-61.5	-41.5	178.9	-62.2	178.6	-175.4	-176.2	-0.3	112.8	P271 F272 V274 P431 K435	P271-R433 WeakPolarHBondContact CD-O 3.31Å; P271-R433 HydrophobicContact CG-CB 4.34Å; P271-R433 WeakPolarHBondContact CG-O 3.25Å; P271-R433 WeakPolarHBondContact O-CD 3.16Å; F272-R433 PolarHBondContact O-NH1 3.35Å; V274-R433 HydrophobicContact CG2-CG 4.15Å; P431-R433 PolarHBondContact O-N 3Å; P431-R433 VanDerWaalsContact O-N 3.07Å; R433-K435 VanDerWaalsContact C-N 3.34Å; R433-K435 PolarHBondContact O-N 3.04Å
434	K	90	Very high	88.7	Confident	95 Å²	95	92.4 Å²	92.4	41%	0.413	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-76.8	-18.5	-178.1	-66.4	-165.2	173.2	-171.2	0	113.7	E270 V430 P431 E432 H436	E270-K434 HydrophobicContact CB-CG 3.87Å; E270-K434 WeakPolarHBondContact OE1-CE 3.5Å; E270-K434 WeakPolarHBondContact OE2-CE 3.36Å; E270-K434 WeakPolarHBondContact OE2-CG 3.3Å; V430-K434 HydrophobicContact CG1-CB 3.8Å; P431-K434 PolarHBondContact O-N 3.04Å; E432-K434 PolarHBondContact O-N 3.13Å; K434-H436 PolarHBondContact O-N 2.98Å
435	K	89.9	Confident	88.7	Confident	76 Å²	76	90.4 Å²	90.4	33%	0.33	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-66	-22.1	-174.9	-70.4	-174.9	177	-176.6	0	114	T235 E415 V430 P431 E432 R433	T235-K435 WeakPolarHBondContact CG2-O 3.28Å; E415-K435 IonicContact OE1-NZ 3.37Å; E415-K435 PolarHBondContact OE1-NZ 3.25Å; E415-K435 IonicContact OE2-NZ 2.73Å; E415-K435 PolarHBondContact OE2-NZ 2.72Å; V430-K435 HydrophobicContact CB-CG 4.22Å; V430-K435 HydrophobicContact CG1-CG 3.88Å; V430-K435 WeakPolarHBondContact O-CE 3.39Å; P431-K435 PolarHBondContact O-N 3.33Å; E432-K435 PolarHBondContact O-N 3.37Å; R433-K435 VanDerWaalsContact C-N 3.34Å; R433-K435 PolarHBondContact O-N 3.04Å
436	H	91.7	Very high	88.9	Confident	41 Å²	41	91.8 Å²	91.8	19%	0.19	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-96.9	-14	-171.3	-60.8	-75.5	0	0	0	113.6	M234 T235 D257 Y261 E432 K434	M234-H436 CarbonylContact C-O 3.21Å; M234-H436 WeakPolarHBondContact CA-O 3.44Å; M234-H436 HydrophobicContact CE-CB 4.05Å; T235-H436 PolarHBondContact N-O 2.8Å; D257-H436 IonicContact OD2-CE1 2.68Å; D257-H436 IonicContact OD2-ND1 3.54Å; D257-H436 PolarHBondContact OD2-ND1 3.11Å; Y261-H436 HydrophobicContact CE1-CB 3.9Å; Y261-H436 AromaticContact CE1-CD2 3.65Å; Y261-H436 AromaticContact CE1-CG 3.72Å; Y261-H436 AromaticContact CZ-CD2 3.92Å; Y261-H436 AromaticContact CZ-CG 3.65Å; Y261-H436 AromaticContact CZ-ND1 3.91Å; Y261-H436 PolarHBondContact OH-CD2 3.47Å; Y261-H436 PolarHBondContact OH-CE1 3.16Å; Y261-H436 PolarHBondContact OH-ND1 3Å; Y261-H436 PolarHBondContact OH-NE2 3.13Å; E432-H436 PolarHBondContact O-CD2 3.2Å; K434-H436 PolarHBondContact O-N 2.98Å
437	V	93.1	Very high	88.8	Confident	18 Å²	18	92.9 Å²	92.9	11%	0.109	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.1	174.9	-179.4	0	0	0	0	107.8	V232 F263	V232-V437 HydrophobicContact CG1-CG1 3.78Å; V232-V437 HydrophobicContact CG1-CG2 4.44Å; F263-V437 HydrophobicContact CE1-CG2 3.94Å; F263-V437 HydrophobicContact CZ-CG2 4.02Å
438	I	92.1	Very high	89	Confident	93 Å²	93	95.5 Å²	95.5	48%	0.477	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-55.3	179.2	-63.6	177.9	0	0	0	109.8	I233 M234 T235	I233-I438 HydrophobicContact CG2-CD1 4.37Å; I233-I438 WeakPolarHBondContact O-CB 3.45Å; I233-I438 PolarHBondContact O-N 3.25Å; M234-I438 WeakPolarHBondContact O-CD1 3.29Å; T235-I438 HydrophobicContact CG2-CD1 4.39Å; T235-I438 HydrophobicContact CG2-CG1 4.01Å
439	R	91.2	Very high	89.3	Confident	141 Å²	141	92.6 Å²	92.6	53%	0.532	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.3	-179.8	68.5	-178.1	-167.7	-161.5	0.7	111.3	I233 E441	I233-R439 HydrophobicContact CB-CG 4.19Å; I233-R439 HydrophobicContact CD1-CG 4.01Å; I233-R439 VanDerWaalsContact CD1-NE 3.35Å; I233-R439 HydrophobicContact CG1-CG 4.18Å; I233-R439 PolarHBondContact N-O 2.9Å; R439-E441 IonicContact CZ-OE1 3.41Å; R439-E441 IonicContact NE-OE1 2.73Å; R439-E441 PolarHBondContact NE-OE1 3.05Å; R439-E441 IonicContact NH2-OE1 3.6Å; R439-E441 PolarHBondContact NH2-OE1 2.68Å
440	E	90.4	Very high	89.5	Confident	64 Å²	64	83.9 Å²	83.9	30%	0.299	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.9	170.8	-177.8	174.8	179.1	0	0	107.3	R230 K231 L268 S269	R230-E440 IonicContact NE-OE1 3.98Å; K231-E440 CarbonylContact O-C 3.59Å; K231-E440 WeakPolarHBondContact O-CA 3.19Å; L268-E440 HydrophobicContact CB-CG 4.42Å; S269-E440 WeakPolarHBondContact CA-OE2 3.26Å; S269-E440 PolarHBondContact N-OE2 3.25Å
441	E	89.8	Confident	89.7	Confident	45 Å²	45	85.3 Å²	85.3	21%	0.21	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.5	173.3	-69.7	168.3	-155.9	0	0	107	W191 K231 R439	W191-E441 HydrophobicContact CZ2-CB 4.3Å; W191-E441 PolarHBondContact NE1-OE2 2.65Å; K231-E441 HydrophobicContact CB-CB 4.19Å; K231-E441 PolarHBondContact N-O 3.27Å; K231-E441 PolarHBondContact O-N 3.3Å; R439-E441 IonicContact CZ-OE1 3.41Å; R439-E441 IonicContact NE-OE1 2.73Å; R439-E441 PolarHBondContact NE-OE1 3.05Å; R439-E441 IonicContact NH2-OE1 3.6Å; R439-E441 PolarHBondContact NH2-OE1 2.68Å
442	E	82.5	Confident	89.7	Confident	158 Å²	158	86.5 Å²	86.5	74%	0.738	38%	0.384	S	S	*	.			trans	-100.2	0	173.8	-57.9	-159	173.1	0	0	111	R230	R230-E442 IonicContact CZ-OE1 2.86Å; R230-E442 IonicContact CZ-OE2 3.8Å; R230-E442 VanDerWaalsContact CZ-OE2 3.25Å; R230-E442 IonicContact NE-OE1 3.65Å; R230-E442 IonicContact NH1-OE1 3.63Å; R230-E442 PolarHBondContact NH1-OE1 3.23Å; R230-E442 IonicContact NH1-OE2 2.69Å; R230-E442 PolarHBondContact NH1-OE2 3.22Å; R230-E442 IonicContact NH2-OE1 3.21Å; R230-E442 PolarHBondContact NH2-OE1 3.08Å; R230-E442 IonicContact NH2-OE2 3.43Å; R230-E442 PolarHBondContact NH2-OE2 3.48Å

Retrieved 442 of 442 residues in 439.6 ms (Link to these results)

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