A0A090KKI4_HUMAN Loading...

HLA class I antigen

AlphaFold DB , UniProt , Accession A0A090KKI4, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 338 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	33.3	Very low	40.1	Very low	241 Å²	241	147 Å²	147	100%	1.187	75%	0.751	S	S	*	*				0	99	0	-71.2	160.9	91.3	0	0	108
2	R	32.6	Very low	40.4	Very low	254 Å²	254	146 Å²	146	96%	0.958	75%	0.747	S	S	*	*			trans	-93.1	108.8	170.4	-98.9	179.3	172.8	167.9	-2.4	106.2	M4	R2-M4 PolarHBondContact O-N 3.3Å
3	V	36.1	Very low	40.1	Very low	142 Å²	142	143.4 Å²	143.4	86%	0.861	74%	0.735	S	S	*	*			trans	-73.4	108	172.2	179.1	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 3.21Å
4	M	38.8	Very low	40.1	Very low	180 Å²	180	137.6 Å²	137.6	89%	0.887	71%	0.713	S	S	*	*			trans	-79.5	103	176.1	-155.3	165.5	68.4	0	0	106.7	R2	R2-M4 PolarHBondContact O-N 3.3Å
5	A	41.8	Very low	40.1	Very low	68 Å²	68	130.7 Å²	130.7	56%	0.562	69%	0.69	S	S	*	*			trans	-60.7	138.4	173.6	0	0	0	0	0	109.3	V3 R7	V3-A5 PolarHBondContact O-N 3.21Å; A5-R7 PolarHBondContact O-N 3.17Å; A5-R7 VanDerWaalsContact O-N 3.17Å
6	P	41.8	Very low	39.9	Very low	81 Å²	81	124.8 Å²	124.8	53%	0.526	67%	0.67	S	S	.	*			trans	-69.8	117.7	-175.9	21.4	-20.2	0	0	0	109.2	A8 L9	P6-A8 PolarHBondContact O-N 2.95Å; P6-L9 HydrophobicContact CG-CB 4.47Å; P6-L9 PolarHBondContact O-N 2.96Å
7	R	45.8	Very low	39.5	Very low	224 Å²	224	124.2 Å²	124.2	85%	0.845	67%	0.666	S	S	*	*	H	α-helix	trans	-51.3	-19	173.8	-99.4	176.5	165.1	170.4	-5.7	113.9	A5	A5-R7 PolarHBondContact O-N 3.17Å; A5-R7 VanDerWaalsContact O-N 3.17Å
8	A	45.6	Very low	39.3	Very low	66 Å²	66	120.4 Å²	120.4	55%	0.545	66%	0.655	S	S	.	*	H	α-helix	trans	-70.8	-29.9	174.8	0	0	0	0	0	113.7	P6	P6-A8 PolarHBondContact O-N 2.95Å
9	L	40.5	Very low	39.3	Very low	111 Å²	111	119.1 Å²	119.1	58%	0.581	65%	0.646	S	S	*	*	H	α-helix	trans	-75.6	-29.4	-178.6	-127.4	88.7	0	0	0	112.6	P6	P6-L9 HydrophobicContact CG-CB 4.47Å; P6-L9 PolarHBondContact O-N 2.96Å
10	L	39.5	Very low	39.2	Very low	123 Å²	123	118.1 Å²	118.1	64%	0.644	64%	0.644	S	S	*	*	H	α-helix	trans	-73.8	-30.6	179.2	-93.2	132.3	0	0	0	112.9	S14	L10-S14 PolarHBondContact O-N 3.23Å; L10-S14 PolarHBondContact O-OG 3.17Å
11	L	45.8	Very low	39.1	Very low	127 Å²	127	120.2 Å²	120.2	67%	0.665	65%	0.65	S	S	*	*	H	α-helix	trans	-73.4	-34.6	178.5	-78	164.3	0	0	0	112.8	S14 G15	L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-S14 PolarHBondContact O-OG 2.97Å; L11-G15 PolarHBondContact O-N 3.03Å; L11-G15 VanDerWaalsContact O-N 3.11Å
12	L	43.3	Very low	39.6	Very low	135 Å²	135	113.8 Å²	113.8	71%	0.707	62%	0.624	S	S	*	*	H	α-helix	trans	-68.2	-35.2	175.8	-76.6	162	0	0	0	112.1	G16	L12-G16 PolarHBondContact O-N 3.15Å; L12-G16 VanDerWaalsContact O-N 3.15Å
13	L	36.7	Very low	40.4	Very low	112 Å²	112	106.2 Å²	106.2	59%	0.586	60%	0.596	S	S	*	*	H	α-helix	trans	-73.2	-33.1	176.2	-75	162	0	0	0	112.5	L17	L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.26Å; L13-L17 PolarHBondContact O-N 3.11Å
14	S	39.8	Very low	41.3	Very low	62 Å²	62	101.7 Å²	101.7	43%	0.434	57%	0.573	S	S	.	*	H	α-helix	trans	-72.3	-33.5	174	46.5	0	0	0	0	113.4	L10 L11 A18	L10-S14 PolarHBondContact O-N 3.23Å; L10-S14 PolarHBondContact O-OG 3.17Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 2.87Å; L11-S14 PolarHBondContact O-OG 2.97Å; S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 2.61Å; S14-A18 VanDerWaalsContact O-N 3.15Å
15	G	40.6	Very low	42.9	Very low	35 Å²	35	96 Å²	96	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-66.8	-43.3	172.6	0	0	0	0	0	112.1	L11 L19	L11-G15 PolarHBondContact O-N 3.03Å; L11-G15 VanDerWaalsContact O-N 3.11Å; G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 VanDerWaalsContact O-CD1 3.28Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.08Å; G15-L19 VanDerWaalsContact O-N 3.07Å
16	G	35.8	Very low	45.2	Very low	36 Å²	36	96.2 Å²	96.2	37%	0.371	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-38.8	177	0	0	0	0	0	114.2	L12 L19 T20	L12-G16 PolarHBondContact O-N 3.15Å; L12-G16 VanDerWaalsContact O-N 3.15Å; G16-L19 PolarHBondContact O-N 2.94Å; G16-T20 PolarHBondContact O-N 2.87Å; G16-T20 PolarHBondContact O-OG1 3.03Å
17	L	33.3	Very low	47.8	Very low	115 Å²	115	93.9 Å²	93.9	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-70.3	-38	177.2	-79.6	162	0	0	0	112.5	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CD1 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.26Å; L13-L17 PolarHBondContact O-N 3.11Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.15Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.04Å; L17-E21 PolarHBondContact O-N 2.9Å
18	A	37.3	Very low	50.2	Low	56 Å²	56	84.4 Å²	84.4	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-66	-32.7	172.7	0	0	0	0	0	112.3	S14	S14-A18 WeakPolarHBondContact O-CB 3.34Å; S14-A18 PolarHBondContact O-N 2.61Å; S14-A18 VanDerWaalsContact O-N 3.15Å
19	L	38.2	Very low	52.8	Low	94 Å²	94	81.3 Å²	81.3	49%	0.492	47%	0.472	S	S	.	.	H	α-helix	trans	-73	-26.5	178.1	-82.7	160.7	0	0	0	113.9	G15 G16 L17 T22	G15-L19 WeakPolarHBondContact O-CB 3.5Å; G15-L19 VanDerWaalsContact O-CD1 3.28Å; G15-L19 WeakPolarHBondContact O-CD1 3.4Å; G15-L19 VanDerWaalsContact O-CG 3.26Å; G15-L19 WeakPolarHBondContact O-CG 3.4Å; G15-L19 PolarHBondContact O-N 3.08Å; G15-L19 VanDerWaalsContact O-N 3.07Å; G16-L19 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.3Å; L17-L19 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 2.97Å
20	T	37.2	Very low	55.5	Low	99 Å²	99	78.2 Å²	78.2	61%	0.607	45%	0.453	S	S	*	.	H	α-helix	trans	-85	-25.5	176.6	50	0	0	0	0	113.6	G16 L17 T22	G16-T20 PolarHBondContact O-N 2.87Å; G16-T20 PolarHBondContact O-OG1 3.03Å; L17-T20 PolarHBondContact O-N 3.44Å; L17-T20 PolarHBondContact O-OG1 3.04Å; T20-T22 VanDerWaalsContact C-N 3.35Å
21	E	37.7	Very low	58.4	Low	163 Å²	163	72.6 Å²	72.6	76%	0.762	42%	0.423	S	S	*	.	H	α-helix	trans	-73.5	-25.7	178	-106.5	179.9	172.2	0	0	112.8	L17 W23	L17-E21 PolarHBondContact O-N 2.9Å; E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.28Å
22	T	42.8	Very low	60.9	Low	106 Å²	106	70.6 Å²	70.6	65%	0.65	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.8	-177.8	47	0	0	0	0	114.8	L19 T20	L19-T22 PolarHBondContact O-OG1 2.97Å; T20-T22 VanDerWaalsContact C-N 3.35Å
23	W	51.2	Low	63.5	Low	95 Å²	95	64.3 Å²	64.3	36%	0.36	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	10.9	-176.5	-70.4	72.6	0	0	0	113.6	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.28Å; E21-W23 PolarHBondContact O-N 3.28Å; W23-C25 PolarHBondContact O-N 3.4Å; W23-C25 VanDerWaalsContact O-N 3.13Å; W23-H287 WeakPolarHBondContact CH2-O 3.36Å; W23-E288 HydrophobicContact CD2-CB 4.18Å; W23-E288 HydrophobicContact CE3-CB 3.53Å; W23-E288 HydrophobicContact CE3-CG 3.98Å; W23-E288 HydrophobicContact CH2-CB 4.04Å; W23-E288 HydrophobicContact CZ3-CB 3.52Å; W23-E288 HydrophobicContact CZ3-CG 4.15Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; W23-L290 WeakPolarHBondContact CH2-O 3.25Å; W23-L290 VanDerWaalsContact CZ3-O 3.31Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å
24	A	53.9	Low	66.5	Low	47 Å²	47	60.8 Å²	60.8	39%	0.388	36%	0.36	S	S	.	.	S	Bend	trans	-76.6	102.2	170	0	0	0	0	0	106.8	S26 P129	A24-S26 PolarHBondContact O-N 3.03Å; A24-P129 HydrophobicContact CB-CB 3.94Å; A24-P129 HydrophobicContact CB-CG 3.18Å
25	C	72.1	Confident	69.3	Low	62 Å²	62	58 Å²	58	42%	0.419	34%	0.34	S	S	.	.			trans	-50.8	100	-172.3	-57.7	0	0	0	0	111.5	W23 E288	W23-C25 PolarHBondContact O-N 3.4Å; W23-C25 VanDerWaalsContact O-N 3.13Å; C25-E288 PolarHBondContact SG-OE1 3.04Å
26	S	90.9	Very high	72.1	Confident	72 Å²	72	58.6 Å²	58.6	50%	0.503	34%	0.337	S	S	.	.			trans	-87.3	146.7	167.4	58	0	0	0	0	108.9	A24 L127	A24-S26 PolarHBondContact O-N 3.03Å; S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.43Å; S26-L127 WeakPolarHBondContact CB-O 3.24Å
27	H	95.4	Very high	75	Confident	31 Å²	31	57.8 Å²	57.8	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150	176.9	-68.2	-74.9	0	0	0	110.5	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.04Å; H27-D53 IonicContact CE1-OD2 3.66Å; H27-D53 IonicContact CG-OD2 3.04Å; H27-D53 IonicContact ND1-OD1 3.91Å; H27-D53 IonicContact ND1-OD2 2.8Å; H27-D53 PolarHBondContact ND1-OD2 2.86Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; H27-L127 PolarHBondContact N-O 3.47Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.3Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.05Å
28	S	97.6	Very high	78	Confident	25 Å²	25	55.7 Å²	55.7	18%	0.175	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.7	179.8	65.9	0	0	0	0	111.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; S28-D53 PolarHBondContact N-OD1 2.96Å; S28-D53 PolarHBondContact O-N 3.38Å; S28-D53 PolarHBondContact OG-OD1 2.94Å; S28-C125 WeakPolarHBondContact CA-O 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å
29	M	98.6	Very high	80.7	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.2	166.5	-175	170.5	62.4	0	0	108	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.08Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; M29-Y51 WeakPolarHBondContact CA-O 3.28Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 2.74Å; M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.35Å; M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.45Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.6	Very high	83.2	Confident	46 Å²	46	55.3 Å²	55.3	17%	0.174	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.1	-176.6	-57.1	-62.4	-178.2	75.8	4.8	110.8	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; R30-Y51 PolarHBondContact N-O 3.43Å; R30-Y51 PolarHBondContact O-N 3.48Å; R30-D126 IonicContact CZ-OD1 3.14Å; R30-D126 IonicContact NE-OD1 3.31Å; R30-D126 PolarHBondContact NE-OD1 3.45Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 IonicContact NH2-OD1 2.75Å; R30-D126 PolarHBondContact NH2-OD1 2.89Å; R30-D126 IonicContact NH2-OD2 2.76Å; R30-D126 PolarHBondContact NH2-OD2 3.49Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.45Å
31	Y	98.8	Very high	85.9	Confident	6 Å²	6	60.4 Å²	60.4	2%	0.024	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.4	169.7	-70.9	-94.1	0	0	0	109.2	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.08Å; M29-Y31 HydrophobicContact SD-CE2 4.09Å; Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.36Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.47Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; Y31-V58 HydrophobicContact CE1-CG2 3.93Å; Y31-M122 WeakPolarHBondContact O-CA 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.72Å; Y31-Y123 HydrophobicContact CD2-CE2 3.72Å; Y31-Y123 AromaticContact CD2-CZ 3.93Å; Y31-Y123 HydrophobicContact CE2-CE2 4.5Å; Y31-Y123 HydrophobicContact CG-CE1 4.22Å; Y31-Y123 AromaticContact CG-CE2 3.96Å; Y31-Y123 HydrophobicContact CG-CE2 3.96Å; Y31-Y123 AromaticContact CG-CZ 3.66Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.39Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å
32	F	98.9	Very high	88.5	Confident	85 Å²	85	55.3 Å²	55.3	37%	0.373	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	112.2	177.3	-56.8	-95	0	0	0	108.6	R30 S48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.49Å; R30-F32 HydrophobicContact CB-CE2 3.67Å; R30-F32 HydrophobicContact CB-CZ 3.95Å; F32-S48 WeakPolarHBondContact O-CA 3.48Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 3.13Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; F32-R121 WeakPolarHBondContact CA-O 3.4Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CZ-CG 4.06Å
33	D	98.8	Very high	91	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.011	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.1	175.2	-60.5	-25.3	0	0	0	109.3	F46 I47 S48 Q120 R121	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 4Å; D33-I47 CarbonylContact C-O 3.56Å; D33-I47 WeakPolarHBondContact CA-O 3.44Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.19Å; D33-Q120 VanDerWaalsContact O-CA 3.28Å; D33-Q120 WeakPolarHBondContact O-CA 3.33Å; D33-R121 HydrophobicContact CB-CB 4.18Å; D33-R121 PolarHBondContact N-O 3.42Å; D33-R121 PolarHBondContact O-N 3.49Å
34	T	98.9	Very high	93.2	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	118.7	176.7	-61.5	0	0	0	0	109.6	V36 F46 I47 T118 Q120	T34-V36 HydrophobicContact CG2-CG2 3.99Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.11Å; T34-T118 HydrophobicContact CG2-CG2 4.1Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å
35	A	98.8	Very high	95.3	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.4	173.9	0	0	0	0	0	110.3	R45 F46 D98 L102 T118 F119	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.28Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; A35-D98 HydrophobicContact CB-CB 3.64Å; A35-L102 HydrophobicContact CB-CD1 3.87Å; A35-T118 WeakPolarHBondContact O-CA 3.08Å; A35-F119 PolarHBondContact N-O 2.95Å; A35-F119 PolarHBondContact O-N 2.95Å
36	V	98.6	Very high	96.6	Very high	49 Å²	49	50.8 Å²	50.8	30%	0.297	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.9	-179	-174.7	0	0	0	0	109.7	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 3.99Å; V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.31Å; V36-R45 PolarHBondContact N-O 3.07Å; V36-R45 PolarHBondContact O-N 2.88Å; V36-H117 WeakPolarHBondContact CA-O 3.37Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å
37	S	98.1	Very high	96.9	Very high	18 Å²	18	49.8 Å²	49.8	13%	0.126	27%	0.272	C	S	.	.			trans	-70.6	143.9	174.4	74.7	0	0	0	0	110.6	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.32Å; S37-S116 PolarHBondContact O-OG 3.1Å; S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 2.99Å; S37-H117 PolarHBondContact OG-O 3.24Å
38	R	96.3	Very high	97.1	Very high	71 Å²	71	48.3 Å²	48.3	27%	0.268	27%	0.265	S	S	.	.			trans	-137.8	74.8	-178.8	53	174.8	176.1	-160.7	-10.3	111	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.35Å; R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.33Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 PolarHBondContact O-N 3.46Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.82Å; R38-E43 PolarHBondContact NH2-O 3.5Å; R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.38Å; R38-D63 PolarHBondContact NH1-OD1 2.8Å; R38-D63 IonicContact NH1-OD2 3.05Å; R38-D63 PolarHBondContact NH1-OD2 2.68Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.99Å
39	P	92.7	Very high	97.2	Very high	51 Å²	51	48.5 Å²	48.5	33%	0.331	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	132.9	-178.3	-27.6	35.6	0	0	0	112.2	R41 E113 G115	P39-R41 PolarHBondContact O-N 2.8Å; P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å
40	G	91.8	Very high	97.2	Very high	91 Å²	91	48.4 Å²	48.4	94%	0.938	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	0.4	-177.2	0	0	0	0	0	116.2	R38	R38-G40 PolarHBondContact O-N 3.35Å
41	R	93.4	Very high	97.2	Very high	206 Å²	206	49.6 Å²	49.6	78%	0.777	27%	0.27	S	S	*	.	S	Bend	trans	-123.4	24.1	-178.9	-57.7	-174.3	-178.6	-172.4	0.8	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.09Å; R38-R41 WeakPolarHBondContact CD-O 3.33Å; R38-R41 HydrophobicContact CG-CB 4.13Å; R38-R41 PolarHBondContact NE-O 3.38Å; R38-R41 PolarHBondContact O-N 3.46Å; P39-R41 PolarHBondContact O-N 2.8Å
42	G	92.2	Very high	97.1	Very high	56 Å²	56	49.3 Å²	49.3	58%	0.577	27%	0.268	S	S	*	.	S	Bend	trans	94.2	-158.9	178.5	0	0	0	0	0	113.7
43	E	94.9	Very high	97	Very high	95 Å²	95	46.6 Å²	46.6	44%	0.444	26%	0.258	S	S	.	.	S	Bend	trans	-71.7	154.7	-177	-63.9	-54.2	159.8	0	0	113	R38 R45 R99	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.82Å; R38-E43 PolarHBondContact NH2-O 3.5Å; E43-R45 PolarHBondContact O-N 2.83Å; E43-R99 VanDerWaalsContact CD-NE 3.32Å; E43-R99 IonicContact OE1-CZ 3.8Å; E43-R99 VanDerWaalsContact OE1-CZ 3.24Å; E43-R99 IonicContact OE1-NE 3.22Å; E43-R99 IonicContact OE1-NH1 3.14Å; E43-R99 IonicContact OE1-NH2 3.7Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 WeakPolarHBondContact OE2-CD 3.37Å; E43-R99 IonicContact OE2-CZ 2.76Å; E43-R99 IonicContact OE2-NE 3.66Å; E43-R99 PolarHBondContact OE2-NE 2.9Å; E43-R99 IonicContact OE2-NH1 2.75Å; E43-R99 IonicContact OE2-NH2 3.73Å; E43-R99 PolarHBondContact OE2-NH2 2.83Å
44	P	97.4	Very high	96.9	Very high	27 Å²	27	49.5 Å²	49.5	18%	0.175	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-51	133.1	172.5	-25.8	34.7	0	0	0	111.5	V36 R99 L102	V36-P44 CarbonylContact O-C 3.49Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.31Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.2Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.82Å
45	R	98.4	Very high	96.8	Very high	91 Å²	91	49 Å²	49	34%	0.343	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.8	173.7	-177.1	-178.6	-176.9	-176.8	-1.1	108.3	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.54Å; A35-R45 VanDerWaalsContact CA-O 3.28Å; A35-R45 WeakPolarHBondContact CA-O 3.28Å; V36-R45 PolarHBondContact N-O 3.07Å; V36-R45 PolarHBondContact O-N 2.88Å; E43-R45 PolarHBondContact O-N 2.83Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 3.63Å; R45-D61 IonicContact CZ-OD2 3.63Å; R45-D61 IonicContact NE-OD1 3.38Å; R45-D61 PolarHBondContact NE-OD1 2.86Å; R45-D61 IonicContact NE-OD2 2.72Å; R45-D61 IonicContact NH2-OD1 2.7Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.58Å; R45-D61 PolarHBondContact NH2-OD2 2.82Å; R45-S62 WeakPolarHBondContact CA-OG 3.4Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 2.6Å
46	F	98.8	Very high	96.7	Very high	3 Å²	3	51.5 Å²	51.5	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.6	176.8	176.1	-92.1	0	0	0	110.1	D33 T34 A35 F60 S62 Y91 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.8Å; D33-F46 HydrophobicContact CB-CZ 4Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; A35-F46 HydrophobicContact CB-CD2 4.29Å; F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 2.78Å; F46-S62 PolarHBondContact O-OG 2.04Å; F46-Y91 HydrophobicContact CE1-CD1 4.49Å; F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.89Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.76Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.56Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.32Å; F46-D98 VanDerWaalsContact CE2-OD2 3.22Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.26Å
47	I	98.8	Very high	96.7	Very high	50 Å²	50	49.1 Å²	49.1	26%	0.256	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134.2	174.8	-59	173.3	0	0	0	107.5	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.56Å; D33-I47 WeakPolarHBondContact CA-O 3.44Å; T34-I47 PolarHBondContact N-O 3.36Å; T34-I47 PolarHBondContact O-N 3.11Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å
48	S	98.8	Very high	96.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.7	171	-176.2	0	0	0	0	109.6	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.48Å; D33-S48 WeakPolarHBondContact OD1-CB 3.34Å; D33-S48 PolarHBondContact OD1-OG 3.19Å; S48-R59 CarbonylContact O-C 3.51Å; S48-R59 WeakPolarHBondContact O-CA 3.49Å; S48-F60 PolarHBondContact N-O 2.92Å; S48-F60 PolarHBondContact O-N 3.4Å; S48-Y91 VanDerWaalsContact OG-CE1 3.24Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.47Å
49	V	98.9	Very high	96.8	Very high	29 Å²	29	48.9 Å²	48.9	18%	0.176	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.2	173.4	-63.3	0	0	0	0	110	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 CarbonylContact C-O 3.56Å; Y31-V49 WeakPolarHBondContact CA-O 3.36Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.29Å; F32-V49 PolarHBondContact N-O 3.17Å; F32-V49 PolarHBondContact O-N 3.13Å; I47-V49 HydrophobicContact CG2-CG1 4.38Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.25Å
50	G	98.7	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	138.4	177.4	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.57Å; R30-G50 WeakPolarHBondContact O-CA 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.05Å; G50-V58 PolarHBondContact N-O 3.21Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.36Å
51	Y	98.6	Very high	97.5	Very high	70 Å²	70	43.1 Å²	43.1	28%	0.275	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.5	178.6	-76.7	-102.4	0	0	0	110.6	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.28Å; R30-Y51 PolarHBondContact N-O 3.43Å; R30-Y51 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.15Å; V49-Y51 HydrophobicContact CB-CE2 4.15Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.87Å; Y51-T55 WeakPolarHBondContact CA-O 2.96Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.26Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.3	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.6	156.1	177	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.38Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 2.93Å; V52-T55 PolarHBondContact N-O 2.82Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.2Å; V52-F57 HydrophobicContact CG2-CD1 4.04Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CG1-CG 4.5Å
53	D	95.9	Very high	98	Very high	28 Å²	28	35.7 Å²	35.7	15%	0.15	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-127.6	-166.9	-52.9	-40.8	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.25Å; H27-D53 WeakPolarHBondContact CA-OD1 3.04Å; H27-D53 IonicContact CE1-OD2 3.66Å; H27-D53 IonicContact CG-OD2 3.04Å; H27-D53 IonicContact ND1-OD1 3.91Å; H27-D53 IonicContact ND1-OD2 2.8Å; H27-D53 PolarHBondContact ND1-OD2 2.86Å; S28-D53 PolarHBondContact N-OD1 2.96Å; S28-D53 PolarHBondContact O-N 3.38Å; S28-D53 PolarHBondContact OG-OD1 2.94Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.38Å
54	D	95.8	Very high	98.1	Very high	63 Å²	63	32.8 Å²	32.8	34%	0.337	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	12.2	178.6	-60.1	-55.2	0	0	0	114	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.93Å; D54-Y233 HydrophobicContact CB-CE2 4.09Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.18Å; D54-A235 PolarHBondContact OD2-N 3.23Å; D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å
55	T	97	Very high	98	Very high	28 Å²	28	37 Å²	37	17%	0.172	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.2	-177.2	-62.7	0	0	0	0	112.3	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 2.96Å; Y51-T55 VanDerWaalsContact CD1-C 3.44Å; V52-T55 PolarHBondContact N-O 2.82Å; V52-T55 WeakPolarHBondContact O-CB 3.41Å; V52-T55 PolarHBondContact O-N 3.2Å; D53-T55 VanDerWaalsContact C-N 3.31Å; D53-T55 PolarHBondContact O-N 3.38Å; T55-F57 PolarHBondContact O-N 3.49Å; T55-A73 HydrophobicContact CG2-CB 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å
56	Q	97.9	Very high	97.9	Very high	55 Å²	55	36.4 Å²	36.4	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.5	172.8	-165.7	180	3.9	0	0	110.4	V49 G50 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.26Å; G50-Q56 WeakPolarHBondContact O-CA 3.37Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.26Å; Y51-Q56 HydrophobicContact CD2-CG 4.35Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.06Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 3.16Å; Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.53Å
57	F	98.3	Very high	97.9	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-22.9	179.6	76.2	-82.8	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.31Å; Y31-F57 HydrophobicContact CE1-CZ 4.14Å; Y31-F57 HydrophobicContact CE2-CZ 4.47Å; Y31-F57 AromaticContact CZ-CZ 3.77Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.32Å; G50-F57 PolarHBondContact O-N 3.05Å; V52-F57 HydrophobicContact CG2-CD1 4.04Å; V52-F57 HydrophobicContact CG2-CE1 4.07Å; T55-F57 PolarHBondContact O-N 3.49Å; F57-R72 PolarHBondContact O-N 2.81Å; F57-A73 HydrophobicContact CB-CB 4.07Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 AromaticContact CD2-CZ3 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 3.96Å; F57-W75 AromaticContact CG-CH2 3.35Å; F57-W75 HydrophobicContact CG-CH2 3.35Å; F57-W75 HydrophobicContact CG-CZ2 4.04Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.24Å; F57-V76 WeakPolarHBondContact O-CG1 3.36Å; F57-Y195 HydrophobicContact CD2-CE2 4.37Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å
58	V	98.4	Very high	97.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	153.5	176.7	-73.4	0	0	0	0	112.5	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.93Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; G50-V58 PolarHBondContact N-O 3.21Å; G50-V58 VanDerWaalsContact N-O 3.07Å; G50-V58 PolarHBondContact O-N 3.36Å; Q56-V58 PolarHBondContact NE2-O 3.16Å; V58-E70 WeakPolarHBondContact CA-O 3.31Å; V58-W84 HydrophobicContact CG1-CH2 3.91Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.37Å
59	R	98.5	Very high	97.8	Very high	84 Å²	84	43 Å²	43	32%	0.317	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.2	170.2	178.6	173.3	169	175.1	-3	110.9	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.51Å; S48-R59 WeakPolarHBondContact O-CA 3.49Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.25Å; R59-D61 IonicContact NH2-OD2 2.92Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.09Å; R59-E70 PolarHBondContact N-O 2.95Å; R59-E70 PolarHBondContact O-N 3.29Å; R59-R72 HydrophobicContact CB-CG 3.93Å
60	F	98.8	Very high	97.7	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	142.5	164.6	178.3	-86.1	0	0	0	109.4	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.68Å; F46-F60 HydrophobicContact CD1-CD1 3.68Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CD1 3.89Å; F46-F60 HydrophobicContact CE1-CE1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.46Å; S48-F60 PolarHBondContact N-O 2.92Å; S48-F60 PolarHBondContact O-N 3.4Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.01Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.33Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.71Å; F60-Y91 HydrophobicContact CG-CG 3.71Å; F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.7	Very high	97.7	Very high	16 Å²	16	46.7 Å²	46.7	9%	0.086	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	119.6	176	-164.1	-26.7	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 3.63Å; R45-D61 IonicContact CZ-OD2 3.63Å; R45-D61 IonicContact NE-OD1 3.38Å; R45-D61 PolarHBondContact NE-OD1 2.86Å; R45-D61 IonicContact NE-OD2 2.72Å; R45-D61 IonicContact NH2-OD1 2.7Å; R45-D61 PolarHBondContact NH2-OD1 2.95Å; R45-D61 IonicContact NH2-OD2 3.58Å; R45-D61 PolarHBondContact NH2-OD2 2.82Å; R59-D61 IonicContact NH2-OD2 2.92Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.09Å; D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 3.31Å; D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.19Å; D61-A64 PolarHBondContact O-N 2.98Å
62	S	98.4	Very high	97.6	Very high	35 Å²	35	48.7 Å²	48.7	25%	0.245	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-22.3	-178.5	68.5	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.4Å; F46-S62 PolarHBondContact N-OG 2.79Å; F46-S62 PolarHBondContact O-N 2.78Å; F46-S62 PolarHBondContact O-OG 2.04Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-P67 WeakPolarHBondContact O-CG 3.16Å
63	D	97.6	Very high	97.5	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.5	-179.9	-78.5	4	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.49Å; R38-D63 IonicContact CZ-OD2 3.24Å; R38-D63 IonicContact NH1-OD1 3.38Å; R38-D63 PolarHBondContact NH1-OD1 2.8Å; R38-D63 IonicContact NH1-OD2 3.05Å; R38-D63 PolarHBondContact NH1-OD2 2.68Å; R38-D63 IonicContact NH2-OD1 2.75Å; R38-D63 PolarHBondContact NH2-OD1 2.91Å; R38-D63 IonicContact NH2-OD2 2.99Å; R45-D63 VanDerWaalsContact CD-OD2 3.28Å; R45-D63 WeakPolarHBondContact CD-OD2 3.37Å; R45-D63 HydrophobicContact CG-CB 4.4Å; R45-D63 IonicContact NE-OD2 2.6Å; D61-D63 PolarHBondContact O-N 3.38Å; D61-D63 PolarHBondContact OD1-N 3.31Å
64	A	97.3	Very high	97.6	Very high	34 Å²	34	52.4 Å²	52.4	28%	0.281	29%	0.294	S	S	.	.	S	Bend	trans	-61.6	149	172.9	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.46Å; D61-A64 WeakPolarHBondContact O-CB 3.19Å; D61-A64 PolarHBondContact O-N 2.98Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.15Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 2.93Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.36Å
65	A	96.8	Very high	97.6	Very high	117 Å²	117	50 Å²	50	97%	0.967	28%	0.28	S	S	*	.	S	Bend	trans	-58.6	-30.8	179.3	0	0	0	0	0	113.1
66	S	96.3	Very high	97.6	Very high	78 Å²	78	48.7 Å²	48.7	55%	0.545	27%	0.272	S	S	.	.	S	Bend	trans	-134.8	89.2	171.6	-169.7	0	0	0	0	108.9	A64 R68	A64-S66 PolarHBondContact O-N 2.91Å; A64-S66 VanDerWaalsContact O-N 3.15Å; S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	97.1	Very high	97.5	Very high	36 Å²	36	51.8 Å²	51.8	23%	0.234	29%	0.286	C	S	.	.			trans	-64.5	112.4	-175	-24.1	35.3	0	0	0	112	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.68Å; S62-P67 WeakPolarHBondContact O-CG 3.16Å; A64-P67 VanDerWaalsContact O-CD 3.22Å; A64-P67 WeakPolarHBondContact O-CD 2.93Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.36Å; P67-K92 VanDerWaalsContact O-CE 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.34Å; P67-K92 PolarHBondContact O-NZ 3.45Å
68	R	97.9	Very high	97.3	Very high	149 Å²	149	57.8 Å²	57.8	56%	0.562	31%	0.314	S	S	*	.			trans	-147.1	159.4	177.8	62.6	-174	168.8	179.8	-2.3	110.5	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.41Å; R68-E70 PolarHBondContact O-N 2.8Å; R68-T88 HydrophobicContact CB-CG2 4.21Å
69	G	97.6	Very high	97.3	Very high	6 Å²	6	58.3 Å²	58.3	6%	0.062	32%	0.317	C	S	.	.			trans	-64.4	130.1	168.6	0	0	0	0	0	109.7	T88	G69-T88 PolarHBondContact N-OG1 3.12Å
70	E	97.9	Very high	97.2	Very high	59 Å²	59	56.1 Å²	56.1	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.8	-179.1	-64.1	178.3	160.5	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.31Å; R59-E70 PolarHBondContact N-O 2.95Å; R59-E70 PolarHBondContact O-N 3.29Å; R68-E70 HydrophobicContact CG-CG 4.41Å; R68-E70 PolarHBondContact O-N 2.8Å; E70-R72 IonicContact OE2-CZ 2.84Å; E70-R72 IonicContact OE2-NH2 3.36Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å
71	P	98	Very high	97.1	Very high	48 Å²	48	60.6 Å²	60.6	31%	0.312	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	144.3	172.9	28.6	-33.6	0	0	0	110.8	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.78Å; P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å
72	R	97.6	Very high	97	Very high	112 Å²	112	67.8 Å²	67.8	42%	0.423	38%	0.382	S	S	.	.			trans	-126.4	-1.7	175	-60.5	-64.3	172.2	177	-3	113.1	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.49Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.34Å; Q56-R72 CarbonylContact O-C 3.53Å; F57-R72 PolarHBondContact O-N 2.81Å; R59-R72 HydrophobicContact CB-CG 3.93Å; E70-R72 IonicContact OE2-CZ 2.84Å; E70-R72 IonicContact OE2-NH2 3.36Å; E70-R72 PolarHBondContact OE2-NH2 2.94Å
73	A	96.4	Very high	97	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.033	37%	0.372	C	S	.	.	S	Bend	trans	-136.8	142.8	173.3	0	0	0	0	0	111.1	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.49Å; F57-A73 HydrophobicContact CB-CB 4.07Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.13Å; A73-V76 WeakPolarHBondContact O-CG1 3.38Å; A73-V76 PolarHBondContact O-N 2.84Å
74	P	96.3	Very high	97	Very high	102 Å²	102	64.9 Å²	64.9	66%	0.662	36%	0.361	S	S	*	.	H	α-helix	trans	-58.5	-33.9	-177.7	-27.1	35.1	0	0	0	114.3	V76 E77	P74-V76 VanDerWaalsContact C-N 3.25Å; P74-V76 PolarHBondContact O-N 3.07Å; P74-E77 WeakPolarHBondContact O-CB 2.86Å; P74-E77 PolarHBondContact O-N 3.18Å
75	W	96.1	Very high	97	Very high	13 Å²	13	68.4 Å²	68.4	5%	0.049	38%	0.375	C	S	.	.	H	α-helix	trans	-72.3	-14	-176.4	53.9	-107.9	0	0	0	114.2	V52 F57 A73 Q78 Y195 N198 L203	V52-W75 HydrophobicContact CB-CH2 4.42Å; V52-W75 HydrophobicContact CB-CZ2 4.45Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; F57-W75 HydrophobicContact CB-CH2 3.11Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 3.91Å; F57-W75 AromaticContact CD1-CH2 3.98Å; F57-W75 HydrophobicContact CD1-CH2 3.98Å; F57-W75 AromaticContact CD2-CH2 3.71Å; F57-W75 HydrophobicContact CD2-CH2 3.71Å; F57-W75 AromaticContact CD2-CZ3 3.96Å; F57-W75 HydrophobicContact CD2-CZ3 3.96Å; F57-W75 AromaticContact CG-CH2 3.35Å; F57-W75 HydrophobicContact CG-CH2 3.35Å; F57-W75 HydrophobicContact CG-CZ2 4.04Å; F57-W75 HydrophobicContact CG-CZ3 4.07Å; A73-W75 VanDerWaalsContact C-N 3.26Å; A73-W75 HydrophobicContact CB-CD2 4.14Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4.02Å; A73-W75 PolarHBondContact O-N 3.13Å; W75-Q78 WeakPolarHBondContact O-CG 3.35Å; W75-Q78 PolarHBondContact O-NE2 2.67Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; W75-N198 HydrophobicContact CB-CB 4.42Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å
76	V	97.3	Very high	97.1	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-94.7	-16.6	172.6	71.2	0	0	0	0	112.1	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.37Å; F57-V76 HydrophobicContact CD2-CB 4.35Å; F57-V76 HydrophobicContact CD2-CG1 4.49Å; F57-V76 HydrophobicContact CD2-CG2 4.08Å; F57-V76 VanDerWaalsContact O-CG1 3.24Å; F57-V76 WeakPolarHBondContact O-CG1 3.36Å; P71-V76 HydrophobicContact CB-CG1 3.78Å; A73-V76 WeakPolarHBondContact O-CG1 3.38Å; A73-V76 PolarHBondContact O-N 2.84Å; P74-V76 VanDerWaalsContact C-N 3.25Å; P74-V76 PolarHBondContact O-N 3.07Å; V76-Q78 PolarHBondContact O-N 2.85Å; V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.35Å; V76-E79 WeakPolarHBondContact O-CG 3.24Å; V76-E79 PolarHBondContact O-N 2.98Å; V76-Y83 HydrophobicContact CG2-CE1 4.12Å; V76-W84 HydrophobicContact CG1-CH2 4.1Å; V76-W84 HydrophobicContact CG1-CZ2 4.34Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.1Å; V76-Y195 HydrophobicContact CG2-CE1 4.45Å
77	E	95.9	Very high	97.2	Very high	120 Å²	120	64.7 Å²	64.7	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-62.7	-25.4	179.9	-66.6	179.7	-175.6	0	0	112.9	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.71Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 2.86Å; P74-E77 PolarHBondContact O-N 3.18Å; E77-E79 PolarHBondContact O-N 3.4Å
78	Q	95.1	Very high	97.2	Very high	125 Å²	125	63.5 Å²	63.5	58%	0.584	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-10.9	175.6	66	179.9	10.5	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.35Å; W75-Q78 PolarHBondContact O-NE2 2.67Å; V76-Q78 PolarHBondContact O-N 2.85Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.78Å; Q78-N198 PolarHBondContact NE2-OD1 2.95Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å
79	E	97	Very high	97.2	Very high	12 Å²	12	61.3 Å²	61.3	6%	0.056	31%	0.312	C	S	.	.	S	Bend	trans	-66	135.9	174.7	-65.9	-60.9	157.4	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.91Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.35Å; V76-E79 WeakPolarHBondContact O-CG 3.24Å; V76-E79 PolarHBondContact O-N 2.98Å; E77-E79 PolarHBondContact O-N 3.4Å; E79-Y83 HydrophobicContact CB-CD1 3.53Å; E79-Y83 HydrophobicContact CB-CD2 4.5Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; E79-W84 PolarHBondContact O-NE1 2.88Å; E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.95Å; E79-R194 IonicContact OE1-NE 3.97Å; E79-R194 PolarHBondContact OE1-NE 2.92Å; E79-R194 IonicContact OE1-NH2 3.01Å; E79-R194 PolarHBondContact OE1-NH2 3.22Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 3.62Å; E79-R194 IonicContact OE2-NE 3.98Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å
80	G	96.1	Very high	97.2	Very high	37 Å²	37	64.3 Å²	64.3	38%	0.381	32%	0.324	S	S	.	.			trans	-70.9	170	-174.4	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.02Å; G80-Y83 WeakPolarHBondContact O-CB 3.12Å; G80-Y83 PolarHBondContact O-N 2.85Å; G80-W84 PolarHBondContact O-N 2.91Å
81	P	97.1	Very high	97.3	Very high	98 Å²	98	61.8 Å²	61.8	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-57.7	-35.6	-178.5	22.6	-33.4	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.13Å; P81-W84 PolarHBondContact O-N 2.71Å; P81-W84 VanDerWaalsContact O-N 3.16Å; P81-D85 WeakPolarHBondContact O-CB 3.28Å; P81-D85 PolarHBondContact O-N 2.81Å
82	E	97.6	Very high	97.3	Very high	167 Å²	167	63.6 Å²	63.6	78%	0.78	32%	0.315	S	S	*	.	H	α-helix	trans	-60.3	-35.2	177.9	-63.3	-178.9	179.3	0	0	113	G80 R86	G80-E82 VanDerWaalsContact C-N 3.25Å; G80-E82 PolarHBondContact O-N 3.02Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 3.24Å
83	Y	97.6	Very high	97.3	Very high	7 Å²	7	66 Å²	66	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-52.8	174.3	169.3	-92.6	0	0	0	110	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.12Å; E79-Y83 HydrophobicContact CB-CD1 3.53Å; E79-Y83 HydrophobicContact CB-CD2 4.5Å; E79-Y83 HydrophobicContact CB-CE1 4.14Å; E79-Y83 HydrophobicContact CB-CG 3.75Å; E79-Y83 HydrophobicContact CG-CD1 4.07Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.17Å; G80-Y83 WeakPolarHBondContact O-CB 3.12Å; G80-Y83 PolarHBondContact O-N 2.85Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.13Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.29Å; Y83-R86 PolarHBondContact O-N 2.69Å; Y83-E87 HydrophobicContact CD1-CG 4.35Å; Y83-E87 HydrophobicContact CD2-CG 4.11Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 2.86Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.18Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å
84	W	98.1	Very high	97.4	Very high	39 Å²	39	67.7 Å²	67.7	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-38.4	-177.5	-66.5	111.4	0	0	0	113	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.91Å; V58-W84 HydrophobicContact CG1-CZ3 3.84Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.81Å; P71-W84 HydrophobicContact CG-CH2 4.25Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å; V76-W84 HydrophobicContact CG1-CH2 4.1Å; V76-W84 HydrophobicContact CG1-CZ2 4.34Å; V76-W84 HydrophobicContact CG2-CH2 3.95Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.1Å; E79-W84 PolarHBondContact O-NE1 2.88Å; G80-W84 PolarHBondContact O-N 2.91Å; P81-W84 PolarHBondContact O-N 2.71Å; P81-W84 VanDerWaalsContact O-N 3.16Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.83Å; W84-T88 PolarHBondContact O-OG1 2.88Å
85	D	98.1	Very high	97.5	Very high	107 Å²	107	64 Å²	64	57%	0.572	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-47.3	174.7	-75	-22.2	0	0	0	110.8	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.28Å; P81-D85 PolarHBondContact O-N 2.81Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 3.29Å; D85-T88 PolarHBondContact O-N 3.16Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.08Å; D85-Q89 PolarHBondContact O-N 2.96Å
86	R	97.6	Very high	97.6	Very high	107 Å²	107	69.4 Å²	69.4	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-62.3	-47.7	178.7	-175.9	-178.5	66	-146.4	-6	112.1	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.19Å; E82-R86 PolarHBondContact O-N 3.24Å; Y83-R86 PolarHBondContact O-N 2.69Å; R86-Q89 PolarHBondContact O-N 3.13Å; R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 3.41Å
87	E	97.8	Very high	97.6	Very high	10 Å²	10	71.5 Å²	71.5	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-41.6	178.9	-64.2	-43.6	117.3	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.35Å; Y83-E87 HydrophobicContact CD2-CG 4.11Å; Y83-E87 HydrophobicContact CE1-CG 3.97Å; Y83-E87 HydrophobicContact CE2-CG 3.69Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.36Å; Y83-E87 PolarHBondContact O-N 2.86Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.96Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 3.12Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 2.78Å; E87-K90 PolarHBondContact OE1-NZ 3.42Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 3.26Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 3.29Å
88	T	98.5	Very high	97.8	Very high	11 Å²	11	65.9 Å²	65.9	7%	0.067	33%	0.326	C	S	.	.	H	α-helix	trans	-56.9	-43.5	173.6	-64.1	0	0	0	0	112.2	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.21Å; G69-T88 PolarHBondContact N-OG1 3.12Å; W84-T88 WeakPolarHBondContact O-CB 3.41Å; W84-T88 PolarHBondContact O-N 2.83Å; W84-T88 PolarHBondContact O-OG1 2.88Å; D85-T88 PolarHBondContact O-N 3.16Å; T88-Y91 PolarHBondContact O-N 3.46Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.49Å
89	Q	98.3	Very high	97.9	Very high	103 Å²	103	63.1 Å²	63.1	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-69	-32.6	177	-67.1	-57.9	-27.2	0	0	112.8	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.08Å; D85-Q89 PolarHBondContact O-N 2.96Å; R86-Q89 PolarHBondContact O-N 3.13Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 2.96Å; Q89-R93 WeakPolarHBondContact O-CB 3.45Å; Q89-R93 WeakPolarHBondContact O-CG 3.33Å; Q89-R93 PolarHBondContact O-N 3.39Å; Q89-R93 PolarHBondContact O-NE 3.35Å
90	K	97.7	Very high	97.9	Very high	69 Å²	69	66 Å²	66	30%	0.3	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-49.8	171.7	-72.6	173.3	179.6	171.9	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.34Å; R86-K90 PolarHBondContact O-N 3.41Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 3.12Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 IonicContact OE1-NZ 2.78Å; E87-K90 PolarHBondContact OE1-NZ 3.42Å; E87-K90 WeakPolarHBondContact OE2-CD 3.46Å; E87-K90 IonicContact OE2-NZ 3.26Å; E87-K90 PolarHBondContact OE2-NZ 2.94Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.38Å; K90-R93 PolarHBondContact O-N 3.09Å; K90-R93 VanDerWaalsContact O-N 3.14Å; K90-Q94 PolarHBondContact O-N 3.3Å
91	Y	98.6	Very high	98	Very high	7 Å²	7	66 Å²	66	3%	0.027	32%	0.323	C	S	.	.	H	α-helix	trans	-58.7	-42.8	177.9	-61.4	-51	0	0	0	112.4	F46 S48 V58 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.49Å; S48-Y91 VanDerWaalsContact OG-CE1 3.24Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.47Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.37Å; F60-Y91 HydrophobicContact CB-CD1 4.16Å; F60-Y91 HydrophobicContact CB-CD2 3.58Å; F60-Y91 HydrophobicContact CB-CE2 4.01Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.33Å; F60-Y91 AromaticContact CD2-CD2 3.64Å; F60-Y91 HydrophobicContact CD2-CD2 3.64Å; F60-Y91 AromaticContact CD2-CG 3.88Å; F60-Y91 HydrophobicContact CD2-CG 3.88Å; F60-Y91 AromaticContact CG-CD2 3.78Å; F60-Y91 HydrophobicContact CG-CD2 3.78Å; F60-Y91 AromaticContact CG-CG 3.71Å; F60-Y91 HydrophobicContact CG-CG 3.71Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.48Å; E87-Y91 PolarHBondContact O-N 3.29Å; T88-Y91 PolarHBondContact O-N 3.46Å; Y91-R93 PolarHBondContact O-N 2.91Å; Y91-Q94 PolarHBondContact O-N 3.37Å; Y91-A95 WeakPolarHBondContact O-CB 3.27Å; Y91-A95 PolarHBondContact O-N 2.84Å
92	K	98.4	Very high	98.1	Very high	85 Å²	85	61.7 Å²	61.7	37%	0.37	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-38.6	176.9	-73.5	177.7	179.1	176.4	0	112.9	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.36Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 VanDerWaalsContact O-CE 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.34Å; P67-K92 PolarHBondContact O-NZ 3.45Å; T88-K92 HydrophobicContact CG2-CD 4.2Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 3.49Å; K90-K92 VanDerWaalsContact C-N 3.33Å; K90-K92 PolarHBondContact O-N 3.38Å; K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.36Å; K92-Q96 PolarHBondContact O-N 2.88Å
93	R	98.3	Very high	98.1	Very high	164 Å²	164	59.8 Å²	59.8	62%	0.619	28%	0.28	S	S	*	.	H	α-helix	trans	-68.2	-41.2	174.5	-75.2	-174.1	-67.8	175.8	0.7	111.8	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.45Å; Q89-R93 WeakPolarHBondContact O-CG 3.33Å; Q89-R93 PolarHBondContact O-N 3.39Å; Q89-R93 PolarHBondContact O-NE 3.35Å; K90-R93 PolarHBondContact O-N 3.09Å; K90-R93 VanDerWaalsContact O-N 3.14Å; Y91-R93 PolarHBondContact O-N 2.91Å; R93-Q96 WeakPolarHBondContact O-CB 3.49Å; R93-Q96 PolarHBondContact O-N 3.38Å; R93-A97 PolarHBondContact O-N 2.85Å
94	Q	98.4	Very high	98.1	Very high	39 Å²	39	62.7 Å²	62.7	18%	0.182	30%	0.296	C	S	.	.	H	α-helix	trans	-64.1	-44.3	176.4	-169.8	62.3	49.9	0	0	111.5	F46 K90 Y91 Q96 A97 D98	F46-Q94 HydrophobicContact CE2-CB 4.22Å; F46-Q94 HydrophobicContact CE2-CG 3.74Å; F46-Q94 HydrophobicContact CZ-CB 3.89Å; F46-Q94 HydrophobicContact CZ-CG 3.73Å; K90-Q94 PolarHBondContact O-N 3.3Å; Y91-Q94 PolarHBondContact O-N 3.37Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.19Å; Q94-A97 WeakPolarHBondContact O-CB 3.37Å; Q94-A97 PolarHBondContact O-N 3.13Å; Q94-D98 PolarHBondContact NE2-OD1 3.26Å; Q94-D98 PolarHBondContact O-N 2.79Å
95	A	98.4	Very high	98.1	Very high	24 Å²	24	61 Å²	61	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-39	175.4	0	0	0	0	0	112.7	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.76Å; F46-A95 HydrophobicContact CD2-CB 4.1Å; F46-A95 HydrophobicContact CE1-CB 4.43Å; F46-A95 HydrophobicContact CG-CB 3.56Å; Y91-A95 WeakPolarHBondContact O-CB 3.27Å; Y91-A95 PolarHBondContact O-N 2.84Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.12Å; A95-R99 VanDerWaalsContact O-N 3.08Å
96	Q	98.1	Very high	98	Very high	126 Å²	126	59 Å²	59	59%	0.589	27%	0.274	S	S	*	.	H	α-helix	trans	-66.7	-43.2	174.2	-71.2	-103.4	-17.6	0	0	111.9	K92 R93 Q94 R99 V100	K92-Q96 VanDerWaalsContact O-CG 3.31Å; K92-Q96 WeakPolarHBondContact O-CG 3.36Å; K92-Q96 PolarHBondContact O-N 2.88Å; R93-Q96 WeakPolarHBondContact O-CB 3.49Å; R93-Q96 PolarHBondContact O-N 3.38Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 3.19Å; Q96-R99 WeakPolarHBondContact O-CB 3.24Å; Q96-R99 PolarHBondContact O-N 2.75Å; Q96-V100 PolarHBondContact O-N 2.89Å
97	A	97.9	Very high	98	Very high	45 Å²	45	56 Å²	56	37%	0.372	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-47.7	176.8	0	0	0	0	0	111.2	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 2.85Å; Q94-A97 WeakPolarHBondContact O-CB 3.37Å; Q94-A97 PolarHBondContact O-N 3.13Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3Å; A97-V100 WeakPolarHBondContact O-CA 3.32Å; A97-V100 WeakPolarHBondContact O-CB 3.34Å; A97-V100 PolarHBondContact O-N 3.05Å; A97-S101 PolarHBondContact O-N 3.42Å; A97-S101 PolarHBondContact O-OG 3.05Å
98	D	98.3	Very high	98	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-35	-179.5	-73.3	2	0	0	0	112.4	A35 F46 Q94 V100 S101 L102 F119	A35-D98 HydrophobicContact CB-CB 3.64Å; F46-D98 HydrophobicContact CD2-CB 4.5Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.32Å; F46-D98 VanDerWaalsContact CE2-OD2 3.22Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.26Å; Q94-D98 PolarHBondContact NE2-OD1 3.26Å; Q94-D98 PolarHBondContact O-N 2.79Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 2.88Å; D98-S101 PolarHBondContact O-N 3.29Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.17Å; D98-L102 PolarHBondContact O-N 3.33Å; D98-F119 HydrophobicContact CB-CD1 4.26Å
99	R	97.9	Very high	98	Very high	67 Å²	67	61 Å²	61	25%	0.253	30%	0.295	S	S	.	.	H	α-helix	trans	-58.7	-41.9	171	177	-172.3	-177.2	-160.4	0.3	111.8	E43 P44 A95 Q96 A97 R103	E43-R99 VanDerWaalsContact CD-NE 3.32Å; E43-R99 IonicContact OE1-CZ 3.8Å; E43-R99 VanDerWaalsContact OE1-CZ 3.24Å; E43-R99 IonicContact OE1-NE 3.22Å; E43-R99 IonicContact OE1-NH1 3.14Å; E43-R99 IonicContact OE1-NH2 3.7Å; E43-R99 PolarHBondContact OE1-NH2 2.89Å; E43-R99 WeakPolarHBondContact OE2-CD 3.37Å; E43-R99 IonicContact OE2-CZ 2.76Å; E43-R99 IonicContact OE2-NE 3.66Å; E43-R99 PolarHBondContact OE2-NE 2.9Å; E43-R99 IonicContact OE2-NH1 2.75Å; E43-R99 IonicContact OE2-NH2 3.73Å; E43-R99 PolarHBondContact OE2-NH2 2.83Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.2Å; A95-R99 WeakPolarHBondContact O-CB 3.36Å; A95-R99 PolarHBondContact O-N 3.12Å; A95-R99 VanDerWaalsContact O-N 3.08Å; Q96-R99 WeakPolarHBondContact O-CB 3.24Å; Q96-R99 PolarHBondContact O-N 2.75Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 3Å; R99-R103 PolarHBondContact O-N 3.4Å
100	V	97.8	Very high	97.9	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-70.5	-42.6	176.4	175.3	0	0	0	0	110.3	Q96 A97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.89Å; A97-V100 WeakPolarHBondContact O-CA 3.32Å; A97-V100 WeakPolarHBondContact O-CB 3.34Å; A97-V100 PolarHBondContact O-N 3.05Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 2.88Å; V100-L102 PolarHBondContact O-N 2.83Å; V100-R103 PolarHBondContact O-N 3.21Å; V100-N104 PolarHBondContact O-N 3.04Å
101	S	98.2	Very high	97.9	Very high	36 Å²	36	63 Å²	63	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-57.5	-47.1	176.2	-61.8	0	0	0	0	111.8	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 3.42Å; A97-S101 PolarHBondContact O-OG 3.05Å; D98-S101 PolarHBondContact O-N 3.29Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.88Å; S101-N104 PolarHBondContact O-N 2.67Å; S101-N104 VanDerWaalsContact O-N 3.1Å; S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.32Å; S101-L105 PolarHBondContact O-N 3.11Å
102	L	98.4	Very high	97.7	Very high	8 Å²	8	66 Å²	66	4%	0.042	33%	0.333	C	S	.	.	H	α-helix	trans	-56.2	-39.7	176.5	-78.7	167.1	0	0	0	112.7	A35 P44 D98 V100 R106 H117 F119 Y142	A35-L102 HydrophobicContact CB-CD1 3.87Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.82Å; D98-L102 WeakPolarHBondContact O-CB 3.49Å; D98-L102 WeakPolarHBondContact O-CG 3.17Å; D98-L102 PolarHBondContact O-N 3.33Å; V100-L102 PolarHBondContact O-N 2.83Å; L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.19Å; L102-F119 HydrophobicContact CD2-CB 3.66Å; L102-F119 HydrophobicContact CG-CB 4.02Å; L102-Y142 HydrophobicContact CD2-CE2 4.07Å
103	R	96.8	Very high	97.4	Very high	126 Å²	126	68.1 Å²	68.1	48%	0.475	34%	0.343	S	S	.	.	H	α-helix	trans	-69	-42.5	176.1	-65.5	179	-164.2	172.8	-1.5	112.2	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.4Å; V100-R103 PolarHBondContact O-N 3.21Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.88Å; R103-G107 PolarHBondContact O-N 2.99Å
104	N	97.7	Very high	97.1	Very high	68 Å²	68	67 Å²	67	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-47	178.8	-70.5	-21.9	0	0	0	111.1	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.04Å; S101-N104 PolarHBondContact O-N 2.67Å; S101-N104 VanDerWaalsContact O-N 3.1Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.36Å; N104-G107 PolarHBondContact O-N 3.2Å; N104-G107 VanDerWaalsContact O-N 3.1Å; N104-Y108 HydrophobicContact CB-CE2 4.3Å; N104-Y108 WeakPolarHBondContact O-CD1 3.19Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.08Å
105	L	98.2	Very high	96.9	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-47.9	179.6	-69.6	166.7	0	0	0	111.1	S101 G107 Y108 Y109 F119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.49Å; S101-L105 VanDerWaalsContact O-CG 3.23Å; S101-L105 WeakPolarHBondContact O-CG 3.32Å; S101-L105 PolarHBondContact O-N 3.11Å; L105-G107 PolarHBondContact O-N 3.49Å; L105-Y108 PolarHBondContact O-N 2.83Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 3.39Å; L105-F119 HydrophobicContact CD1-CD2 3.43Å; L105-F119 VanDerWaalsContact CD1-CD2 3.43Å; L105-F119 HydrophobicContact CD1-CE2 3.65Å; L105-F119 HydrophobicContact CD1-CG 4.07Å; L105-F119 HydrophobicContact CD1-CZ 4.44Å; L105-Y142 HydrophobicContact CB-CD1 4.32Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.25Å
106	R	97.2	Very high	96.8	Very high	65 Å²	65	68.7 Å²	68.7	25%	0.245	37%	0.368	C	S	.	.	H	α-helix	trans	-52.6	-42.2	173.7	-173	-172.3	66.1	174.8	10.6	112	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.33Å; L102-R106 PolarHBondContact O-N 2.92Å; L102-R106 VanDerWaalsContact O-N 3.13Å; R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.85Å; R106-Q111 PolarHBondContact O-N 2.85Å; R106-E113 IonicContact CZ-OE1 3.53Å; R106-E113 IonicContact NH1-OE1 3.99Å; R106-E113 PolarHBondContact NH1-OE1 2.82Å; R106-E113 IonicContact NH2-OE1 4Å; R106-E113 PolarHBondContact NH2-OE1 3.49Å
107	G	97.3	Very high	96.9	Very high	44 Å²	44	63.5 Å²	63.5	45%	0.454	34%	0.344	S	S	.	.	H	α-helix	trans	-66.3	-44.5	175	0	0	0	0	0	113.4	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.99Å; N104-G107 CarbonylContact O-C 3.59Å; N104-G107 WeakPolarHBondContact O-CA 3.36Å; N104-G107 PolarHBondContact O-N 3.2Å; N104-G107 VanDerWaalsContact O-N 3.1Å; L105-G107 PolarHBondContact O-N 3.49Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.19Å; G107-N110 PolarHBondContact O-N 3.15Å
108	Y	98	Very high	96.9	Very high	59 Å²	59	63.1 Å²	63.1	23%	0.231	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-34.8	179.4	-62.2	-15.7	0	0	0	112.7	N104 L105 I166 K170	N104-Y108 HydrophobicContact CB-CE2 4.3Å; N104-Y108 WeakPolarHBondContact O-CD1 3.19Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 3.08Å; L105-Y108 PolarHBondContact O-N 2.83Å; Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.21Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; Y108-K170 PolarHBondContact OH-NZ 3.38Å
109	Y	98	Very high	96.9	Very high	67 Å²	67	63.5 Å²	63.5	26%	0.263	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.3	178.5	-68.6	-71.8	0	0	0	113.9	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 3.5Å; L105-Y109 PolarHBondContact O-N 3.39Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.19Å; Y109-Q111 PolarHBondContact O-N 2.63Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.05Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å
110	N	96.9	Very high	97	Very high	152 Å²	152	63.8 Å²	63.8	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.2	-177.9	-57.2	-58.1	0	0	0	113.4	R106 G107	R106-N110 PolarHBondContact O-N 3.48Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 3.15Å
111	Q	97.3	Very high	97	Very high	61 Å²	61	61.9 Å²	61.9	29%	0.285	33%	0.328	S	S	.	.			trans	-88.7	154.1	-176.3	-70.5	165.1	-36.5	0	0	112.1	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.85Å; R106-Q111 PolarHBondContact O-N 2.85Å; Y109-Q111 PolarHBondContact O-N 2.63Å; Q111-H117 PolarHBondContact NE2-CE1 2.75Å; Q111-H117 PolarHBondContact OE1-CE1 2.88Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.3Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; Q111-D143 PolarHBondContact NE2-OD2 2.95Å
112	S	94.9	Very high	97	Very high	72 Å²	72	61.3 Å²	61.3	50%	0.503	32%	0.321	S	S	.	.			trans	-64.4	151.1	178.1	176.4	0	0	0	0	112.4	D114	S112-D114 VanDerWaalsContact C-N 3.25Å; S112-D114 PolarHBondContact O-N 3.4Å; S112-D114 PolarHBondContact OG-N 3.2Å
113	E	91.7	Very high	97.1	Very high	128 Å²	128	62.4 Å²	62.4	60%	0.598	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-21.9	173.6	-56.7	-150.7	126	0	0	113.7	P39 R106 G115	P39-E113 VanDerWaalsContact CB-O 3.3Å; P39-E113 WeakPolarHBondContact CB-O 3.35Å; P39-E113 WeakPolarHBondContact CG-O 3.44Å; R106-E113 IonicContact CZ-OE1 3.53Å; R106-E113 IonicContact NH1-OE1 3.99Å; R106-E113 PolarHBondContact NH1-OE1 2.82Å; R106-E113 IonicContact NH2-OE1 4Å; R106-E113 PolarHBondContact NH2-OE1 3.49Å; E113-G115 VanDerWaalsContact C-N 3.29Å
114	D	92.1	Very high	97.1	Very high	142 Å²	142	56.4 Å²	56.4	76%	0.759	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.8	-178.2	-59.6	-39.1	0	0	0	112.7	S112	S112-D114 VanDerWaalsContact C-N 3.25Å; S112-D114 PolarHBondContact O-N 3.4Å; S112-D114 PolarHBondContact OG-N 3.2Å
115	G	93.6	Very high	97.2	Very high	24 Å²	24	53.1 Å²	53.1	25%	0.247	29%	0.285	C	S	.	.			trans	-75.6	132.3	178.9	0	0	0	0	0	112.9	P39 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.24Å; P39-G115 WeakPolarHBondContact CG-O 3.4Å; E113-G115 VanDerWaalsContact C-N 3.29Å; G115-H117 PolarHBondContact O-CD2 3.19Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å
116	S	97.5	Very high	97.2	Very high	74 Å²	74	54 Å²	54	52%	0.517	29%	0.29	S	S	.	.			trans	-81	134.3	164.3	-178.9	0	0	0	0	109.1	S37	S37-S116 WeakPolarHBondContact O-CB 3.32Å; S37-S116 PolarHBondContact O-OG 3.1Å
117	H	98.4	Very high	97.2	Very high	16 Å²	16	51.1 Å²	51.1	7%	0.074	28%	0.279	C	S	.	.			trans	-132.4	150.4	-176.3	-64.9	-73.6	0	0	0	110.4	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.37Å; S37-H117 PolarHBondContact N-O 3.35Å; S37-H117 PolarHBondContact OG-N 2.99Å; S37-H117 PolarHBondContact OG-O 3.24Å; L102-H117 HydrophobicContact CD2-CB 4.19Å; Q111-H117 PolarHBondContact NE2-CE1 2.75Å; Q111-H117 PolarHBondContact OE1-CE1 2.88Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.3Å; G115-H117 PolarHBondContact O-CD2 3.19Å; G115-H117 VanDerWaalsContact O-CD2 3.22Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.09Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 2.99Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 3.04Å; H117-D143 IonicContact CG-OD1 3.4Å; H117-D143 IonicContact CG-OD2 3.7Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 IonicContact ND1-OD2 2.59Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å
118	T	98.8	Very high	97	Very high	38 Å²	38	49.5 Å²	49.5	23%	0.233	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.5	-177.3	-58	0	0	0	0	110.2	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.1Å; A35-T118 WeakPolarHBondContact O-CA 3.08Å; V36-T118 HydrophobicContact CG2-CG2 4.23Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.28Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; T118-D143 PolarHBondContact N-OD1 2.96Å; T118-D143 PolarHBondContact O-N 3.47Å
119	F	98.8	Very high	96.5	Very high	8 Å²	8	51 Å²	51	4%	0.035	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128	173	-173.9	-120.9	0	0	0	109	A35 D98 L102 L105 F140 A141 Y142 Y147	A35-F119 PolarHBondContact N-O 2.95Å; A35-F119 PolarHBondContact O-N 2.95Å; D98-F119 HydrophobicContact CB-CD1 4.26Å; L102-F119 HydrophobicContact CD2-CB 3.66Å; L102-F119 HydrophobicContact CG-CB 4.02Å; L105-F119 HydrophobicContact CD1-CD2 3.43Å; L105-F119 VanDerWaalsContact CD1-CD2 3.43Å; L105-F119 HydrophobicContact CD1-CE2 3.65Å; L105-F119 HydrophobicContact CD1-CG 4.07Å; L105-F119 HydrophobicContact CD1-CZ 4.44Å; F119-F140 AromaticContact CE1-CD1 3.87Å; F119-F140 HydrophobicContact CE1-CD1 3.87Å; F119-F140 HydrophobicContact CE1-CE1 4.3Å; F119-F140 HydrophobicContact CE2-CB 4Å; F119-F140 HydrophobicContact CE2-CD1 4.06Å; F119-F140 HydrophobicContact CE2-CG 4.44Å; F119-F140 HydrophobicContact CZ-CB 4.12Å; F119-F140 AromaticContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CE1 4.05Å; F119-F140 HydrophobicContact CZ-CG 4.06Å; F119-A141 WeakPolarHBondContact CD2-O 3.44Å; F119-Y142 HydrophobicContact CB-CD2 4.43Å; F119-Y142 HydrophobicContact CD2-CD2 4.31Å; F119-Y147 HydrophobicContact CE2-CD1 4.39Å
120	Q	98.8	Very high	96.1	Very high	73 Å²	73	52.7 Å²	52.7	34%	0.341	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.3	-175	-60.7	175.3	-89.7	0	0	109.7	D33 T34 T118 F140 A141	D33-Q120 VanDerWaalsContact O-CA 3.28Å; D33-Q120 WeakPolarHBondContact O-CA 3.33Å; T34-Q120 HydrophobicContact CG2-CG 4.14Å; T118-Q120 HydrophobicContact CG2-CG 3.84Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 WeakPolarHBondContact O-CA 3.38Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.03Å; Q120-A141 PolarHBondContact O-N 3.28Å
121	R	98.7	Very high	95.7	Very high	35 Å²	35	46.4 Å²	46.4	13%	0.132	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.5	172.1	-174.7	-170	-171.5	-174.3	3.2	109	F32 D33 Y123 D138 Q139 F140 D180	F32-R121 WeakPolarHBondContact CA-O 3.4Å; D33-R121 HydrophobicContact CB-CB 4.18Å; D33-R121 PolarHBondContact N-O 3.42Å; D33-R121 PolarHBondContact O-N 3.49Å; R121-Y123 HydrophobicContact CG-CD1 4.06Å; R121-D138 IonicContact CZ-OD1 3.67Å; R121-D138 IonicContact CZ-OD2 3.09Å; R121-D138 IonicContact NE-OD1 3.81Å; R121-D138 PolarHBondContact NE-OD1 3.01Å; R121-D138 IonicContact NE-OD2 2.67Å; R121-D138 VanDerWaalsContact NH2-CG 3.32Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 3.01Å; R121-D138 IonicContact NH2-OD2 3.34Å; R121-D138 PolarHBondContact NH2-OD2 3.45Å; R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 WeakPolarHBondContact CA-O 3.35Å; R121-F140 HydrophobicContact CB-CD1 3.75Å; R121-F140 HydrophobicContact CB-CE1 3.79Å; R121-F140 VanDerWaalsContact CD-CE1 3.42Å; R121-F140 HydrophobicContact CG-CD1 3.72Å; R121-F140 HydrophobicContact CG-CE1 3.39Å; R121-F140 HydrophobicContact CG-CE2 4.41Å; R121-F140 HydrophobicContact CG-CG 4.4Å; R121-F140 HydrophobicContact CG-CZ 3.77Å; R121-D180 IonicContact NH2-OD1 3.67Å
122	M	98.8	Very high	95.5	Very high	23 Å²	23	51.7 Å²	51.7	11%	0.113	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	164.8	-175.5	-78.2	-74	0	0	108.4	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.44Å; F32-M122 HydrophobicContact CD1-CB 4.03Å; F32-M122 HydrophobicContact CD1-CG 3.67Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.41Å; F32-M122 VanDerWaalsContact CE1-CG 3.41Å; F32-M122 HydrophobicContact CZ-CG 4.06Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; M122-D138 WeakPolarHBondContact O-CA 3.42Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-CD 3.4Å; M122-Q139 HydrophobicContact CE-CG 3.84Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 3.05Å
123	Y	98.8	Very high	95.6	Very high	31 Å²	31	50.8 Å²	50.8	12%	0.122	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	155.3	175.6	68	-82.5	0	0	0	110.9	Y31 R121 Y137 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.39Å; Y31-Y123 AromaticContact CD2-CE2 3.72Å; Y31-Y123 HydrophobicContact CD2-CE2 3.72Å; Y31-Y123 AromaticContact CD2-CZ 3.93Å; Y31-Y123 HydrophobicContact CE2-CE2 4.5Å; Y31-Y123 HydrophobicContact CG-CE1 4.22Å; Y31-Y123 AromaticContact CG-CE2 3.96Å; Y31-Y123 HydrophobicContact CG-CE2 3.96Å; Y31-Y123 AromaticContact CG-CZ 3.66Å; Y31-Y123 PolarHBondContact N-O 2.94Å; Y31-Y123 PolarHBondContact O-N 3.39Å; Y31-Y123 VanDerWaalsContact O-N 3.12Å; R121-Y123 HydrophobicContact CG-CD1 4.06Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 WeakPolarHBondContact CB-O 3.47Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 4Å; Y123-Y183 HydrophobicContact CE2-CE1 4Å
124	G	98.6	Very high	95.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.7	-175.9	-177.2	0	0	0	0	0	114.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.37Å; G124-G136 CarbonylContact O-C 3.52Å; G124-G136 WeakPolarHBondContact O-CA 3.36Å; G124-Y137 PolarHBondContact N-O 3.01Å; G124-Y137 PolarHBondContact O-N 3.2Å; G124-L184 WeakPolarHBondContact O-CD2 3.25Å
125	C	98.6	Very high	96	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.4	-175.7	54.9	0	0	0	0	111.4	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.44Å; M29-C125 PolarHBondContact N-O 3.38Å; M29-C125 PolarHBondContact O-N 2.74Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 2.81Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3Å
126	D	98	Very high	96.2	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	172.9	-61.5	-5.1	0	0	0	108.7	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.44Å; S28-D126 WeakPolarHBondContact CB-OD1 3.43Å; R30-D126 IonicContact CZ-OD1 3.14Å; R30-D126 IonicContact NE-OD1 3.31Å; R30-D126 PolarHBondContact NE-OD1 3.45Å; R30-D126 VanDerWaalsContact NE-OD1 3.12Å; R30-D126 IonicContact NH2-OD1 2.75Å; R30-D126 PolarHBondContact NH2-OD1 2.89Å; R30-D126 IonicContact NH2-OD2 2.76Å; R30-D126 PolarHBondContact NH2-OD2 3.49Å; D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.46Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.46Å; D126-R135 PolarHBondContact O-N 3.37Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 2.95Å
127	L	96.8	Very high	96.3	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.1	173.8	-57.9	-177.3	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.26Å; S26-L127 WeakPolarHBondContact CA-O 3.43Å; S26-L127 WeakPolarHBondContact CB-O 3.24Å; H27-L127 PolarHBondContact N-O 3.47Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 3.3Å; L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L127-L192 HydrophobicContact CB-CD2 4.47Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	93.3	Very high	96.3	Very high	10 Å²	10	45 Å²	45	10%	0.103	22%	0.224	C	C	.	.			trans	-69.5	174.7	165.6	0	0	0	0	0	112	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.34Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.5Å; G128-R132 PolarHBondContact N-O 2.95Å
129	P	88.6	Confident	96.3	Very high	89 Å²	89	46.7 Å²	46.7	58%	0.578	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.7	179.5	-17.9	28.3	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.94Å; A24-P129 HydrophobicContact CB-CG 3.18Å; P129-G131 PolarHBondContact O-N 2.9Å
130	D	88.5	Confident	96.3	Very high	103 Å²	103	48 Å²	48	55%	0.551	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	2.9	174.3	70.5	-13.7	0	0	0	112.9	G128 R132	G128-D130 PolarHBondContact O-N 3.34Å; D130-R132 PolarHBondContact O-N 3.36Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.46Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-NE 3.61Å; D130-R132 IonicContact OD2-NH1 3.13Å
131	G	88.4	Confident	96.3	Very high	20 Å²	20	45.2 Å²	45.2	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	72.4	10.5	-178.8	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.5Å; P129-G131 PolarHBondContact O-N 2.9Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.05Å; G131-R193 PolarHBondContact O-NH2 3.13Å
132	R	93.7	Very high	96.3	Very high	173 Å²	173	44.1 Å²	44.1	65%	0.653	22%	0.22	S	C	*	.	S	Bend	trans	-89.4	156	177.6	-62.2	-173.4	-177.5	163.2	-2.6	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.55Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; G128-R132 PolarHBondContact N-O 2.95Å; D130-R132 PolarHBondContact O-N 3.36Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 PolarHBondContact OD1-N 3.32Å; D130-R132 WeakPolarHBondContact OD2-CD 3.46Å; D130-R132 WeakPolarHBondContact OD2-CG 3.45Å; D130-R132 IonicContact OD2-NE 3.61Å; D130-R132 IonicContact OD2-NH1 3.13Å; R132-L134 PolarHBondContact O-N 2.94Å; R132-L134 VanDerWaalsContact O-N 3.13Å
133	L	96.8	Very high	96.2	Very high	53 Å²	53	46 Å²	46	28%	0.277	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	118.9	175	-176.1	73.3	0	0	0	109.6	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; L133-L154 HydrophobicContact CD2-CD1 4.23Å; L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 3.96Å
134	L	96.2	Very high	96.2	Very high	123 Å²	123	47.4 Å²	47.4	64%	0.644	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	-46.1	170.5	-178.7	63.3	0	0	0	110.1	D126 R132	D126-L134 HydrophobicContact CB-CB 4.39Å; D126-L134 PolarHBondContact O-N 3.46Å; R132-L134 PolarHBondContact O-N 2.94Å; R132-L134 VanDerWaalsContact O-N 3.13Å
135	R	96.6	Very high	96.2	Very high	93 Å²	93	55 Å²	55	35%	0.351	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	145.5	-177.2	-172.7	161.7	169	147.2	11.9	112.1	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.54Å; C125-R135 WeakPolarHBondContact CA-O 3.49Å; D126-R135 HydrophobicContact CB-CB 4.45Å; D126-R135 PolarHBondContact N-O 3.46Å; D126-R135 PolarHBondContact O-N 3.37Å; L133-R135 WeakPolarHBondContact CD1-O 3.3Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 3.31Å; R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 3.66Å; R135-E152 PolarHBondContact NH1-OE1 2.76Å; R135-E152 IonicContact NH1-OE2 2.73Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.31Å; R135-E152 PolarHBondContact NH2-OE1 2.85Å
136	G	98.1	Very high	96.2	Very high	5 Å²	5	61 Å²	61	5%	0.052	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	153.1	170.6	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.52Å; G124-G136 WeakPolarHBondContact O-CA 3.36Å
137	Y	98.3	Very high	96.2	Very high	37 Å²	37	60.2 Å²	60.2	15%	0.145	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	138.1	-177.8	-57.4	-95.2	0	0	0	110.3	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.31Å; R30-Y137 PolarHBondContact NH2-OH 3.45Å; M122-Y137 HydrophobicContact CE-CD1 4.03Å; M122-Y137 HydrophobicContact CE-CG 4.15Å; M122-Y137 HydrophobicContact SD-CG 4.48Å; Y123-Y137 WeakPolarHBondContact CA-O 3.49Å; Y123-Y137 WeakPolarHBondContact CB-O 3.47Å; G124-Y137 PolarHBondContact N-O 3.01Å; G124-Y137 PolarHBondContact O-N 3.2Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 2.95Å; R135-Y137 HydrophobicContact CB-CE2 4.04Å; R135-Y137 VanDerWaalsContact CD-CZ 3.46Å; R135-Y137 WeakPolarHBondContact CD-OH 3.33Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-Y137 PolarHBondContact NE-OH 3.31Å
138	D	98.6	Very high	96.3	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	107.3	158.8	-169.9	11.8	0	0	0	108.8	R121 M122 F140 L150	R121-D138 IonicContact CZ-OD1 3.67Å; R121-D138 IonicContact CZ-OD2 3.09Å; R121-D138 IonicContact NE-OD1 3.81Å; R121-D138 PolarHBondContact NE-OD1 3.01Å; R121-D138 IonicContact NE-OD2 2.67Å; R121-D138 VanDerWaalsContact NH2-CG 3.32Å; R121-D138 IonicContact NH2-OD1 2.71Å; R121-D138 PolarHBondContact NH2-OD1 3.01Å; R121-D138 IonicContact NH2-OD2 3.34Å; R121-D138 PolarHBondContact NH2-OD2 3.45Å; M122-D138 WeakPolarHBondContact O-CA 3.42Å; D138-F140 WeakPolarHBondContact OD1-CE2 3.41Å; D138-L150 HydrophobicContact CB-CB 4.11Å; D138-L150 HydrophobicContact CB-CD2 4.26Å; D138-L150 WeakPolarHBondContact O-CB 3.3Å; D138-L150 PolarHBondContact O-N 3.36Å
139	Q	98.6	Very high	96.6	Very high	74 Å²	74	61.3 Å²	61.3	35%	0.346	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.2	-172.8	60.9	-174.4	71.4	0	0	111.6	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.54Å; R121-Q139 WeakPolarHBondContact CA-O 3.35Å; M122-Q139 HydrophobicContact CB-CG 4.08Å; M122-Q139 VanDerWaalsContact CE-CD 3.4Å; M122-Q139 HydrophobicContact CE-CG 3.84Å; M122-Q139 PolarHBondContact N-O 3.38Å; M122-Q139 PolarHBondContact O-N 3.05Å; Q139-A149 HydrophobicContact CB-CB 3.84Å
140	F	98.8	Very high	97.1	Very high	34 Å²	34	57.8 Å²	57.8	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.9	-174	-58	-98.2	0	0	0	110.9	F119 Q120 R121 D138 Y147 I148 W157	F119-F140 AromaticContact CE1-CD1 3.87Å; F119-F140 HydrophobicContact CE1-CD1 3.87Å; F119-F140 HydrophobicContact CE1-CE1 4.3Å; F119-F140 HydrophobicContact CE2-CB 4Å; F119-F140 HydrophobicContact CE2-CD1 4.06Å; F119-F140 HydrophobicContact CE2-CG 4.44Å; F119-F140 HydrophobicContact CZ-CB 4.12Å; F119-F140 AromaticContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CD1 3.33Å; F119-F140 HydrophobicContact CZ-CE1 4.05Å; F119-F140 HydrophobicContact CZ-CG 4.06Å; Q120-F140 CarbonylContact O-C 3.59Å; Q120-F140 WeakPolarHBondContact O-CA 3.38Å; R121-F140 HydrophobicContact CB-CD1 3.75Å; R121-F140 HydrophobicContact CB-CE1 3.79Å; R121-F140 VanDerWaalsContact CD-CE1 3.42Å; R121-F140 HydrophobicContact CG-CD1 3.72Å; R121-F140 HydrophobicContact CG-CE1 3.39Å; R121-F140 HydrophobicContact CG-CE2 4.41Å; R121-F140 HydrophobicContact CG-CG 4.4Å; R121-F140 HydrophobicContact CG-CZ 3.77Å; D138-F140 WeakPolarHBondContact OD1-CE2 3.41Å; F140-Y147 HydrophobicContact CB-CD1 4.4Å; F140-Y147 WeakPolarHBondContact O-CB 3.03Å; F140-Y147 PolarHBondContact O-N 2.88Å; F140-I148 HydrophobicContact CB-CG2 4.12Å; F140-I148 HydrophobicContact CD2-CG2 3.78Å; F140-I148 HydrophobicContact CG-CG2 4.26Å; F140-I148 PolarHBondContact N-O 2.7Å; F140-I148 PolarHBondContact O-N 3.39Å; F140-W157 HydrophobicContact CE2-CZ3 4.38Å
141	A	98.9	Very high	97.6	Very high	16 Å²	16	55 Å²	55	13%	0.132	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.8	172.9	0	0	0	0	0	110.7	F119 Q120 K145	F119-A141 WeakPolarHBondContact CD2-O 3.44Å; Q120-A141 HydrophobicContact CB-CB 4.39Å; Q120-A141 PolarHBondContact N-O 3.03Å; Q120-A141 PolarHBondContact O-N 3.28Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.28Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	60.5 Å²	60.5	4%	0.043	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.2	176.4	-174.7	-121	0	0	0	110	L102 L105 Y109 Q111 H117 T118 F119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.07Å; L105-Y142 HydrophobicContact CB-CD1 4.32Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 3.96Å; L105-Y142 HydrophobicContact CB-CE2 3.83Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.56Å; L105-Y142 HydrophobicContact CD1-CE2 3.91Å; L105-Y142 HydrophobicContact CD1-CG 3.98Å; L105-Y142 HydrophobicContact CG-CD2 4.39Å; L105-Y142 HydrophobicContact CG-CE2 4.48Å; Y109-Y142 AromaticContact CD2-CD1 3.76Å; Y109-Y142 HydrophobicContact CD2-CD1 3.76Å; Y109-Y142 AromaticContact CD2-CE1 3.52Å; Y109-Y142 HydrophobicContact CD2-CE1 3.52Å; Y109-Y142 AromaticContact CE2-CD1 3.54Å; Y109-Y142 HydrophobicContact CE2-CD1 3.54Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 3.46Å; H117-Y142 HydrophobicContact CB-CE2 3.8Å; H117-Y142 WeakPolarHBondContact CB-OH 3.09Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.89Å; H117-Y142 PolarHBondContact ND1-OH 2.99Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.28Å; T118-Y142 VanDerWaalsContact O-CD2 3.24Å; T118-Y142 WeakPolarHBondContact O-CD2 3.42Å; F119-Y142 HydrophobicContact CB-CD2 4.43Å; F119-Y142 HydrophobicContact CD2-CD2 4.31Å; Y142-G144 PolarHBondContact O-N 2.94Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 3.31Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.4	Very high	98.2	Very high	63 Å²	63	56 Å²	56	34%	0.337	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	40.3	-174.8	-65.8	-22.3	0	0	0	113.3	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.95Å; H117-D143 WeakPolarHBondContact CA-OD1 3.36Å; H117-D143 WeakPolarHBondContact CB-OD1 3.43Å; H117-D143 IonicContact CE1-OD2 3.04Å; H117-D143 IonicContact CG-OD1 3.4Å; H117-D143 IonicContact CG-OD2 3.7Å; H117-D143 IonicContact ND1-OD1 3.65Å; H117-D143 IonicContact ND1-OD2 2.59Å; H117-D143 PolarHBondContact ND1-OD2 3.36Å; T118-D143 PolarHBondContact N-OD1 2.96Å; T118-D143 PolarHBondContact O-N 3.47Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.88Å
144	G	97.6	Very high	98.2	Very high	60 Å²	60	53.9 Å²	53.9	62%	0.619	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	9	177.4	0	0	0	0	0	115.3	Y142	Y142-G144 PolarHBondContact O-N 2.94Å
145	K	98.6	Very high	98.3	Very high	159 Å²	159	55.7 Å²	55.7	69%	0.691	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.5	176.4	-63	178.6	-177.5	176.8	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.35Å; A141-K145 VanDerWaalsContact CB-O 3.28Å; A141-K145 WeakPolarHBondContact CB-O 3.34Å; Y142-K145 PolarHBondContact N-O 3.3Å; Y142-K145 PolarHBondContact O-N 3.31Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 2.94Å
146	D	98.7	Very high	98.4	Very high	128 Å²	128	53.2 Å²	53.2	68%	0.684	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.6	134.8	173.6	-66.4	-30.3	0	0	0	110.5	A160	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.34Å
147	Y	98.8	Very high	98.4	Very high	6 Å²	6	53.5 Å²	53.5	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-63	-178.9	178.5	-112.9	0	0	0	110.6	L105 Y109 F119 F140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.33Å; L105-Y147 HydrophobicContact CD2-CD2 4.1Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.45Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.45Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.25Å; Y109-Y147 HydrophobicContact CE2-CD2 4.47Å; Y109-Y147 HydrophobicContact CE2-CE2 4.18Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.05Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.38Å; F119-Y147 HydrophobicContact CE2-CD1 4.39Å; F140-Y147 HydrophobicContact CB-CD1 4.4Å; F140-Y147 WeakPolarHBondContact O-CB 3.03Å; F140-Y147 PolarHBondContact O-N 2.88Å; K145-Y147 PolarHBondContact O-N 2.94Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.75Å; Y147-A163 PolarHBondContact OH-O 2.83Å; Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.36Å; Y147-A164 WeakPolarHBondContact O-CB 3.27Å; Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.4Å; Y147-T167 PolarHBondContact OH-OG1 2.84Å
148	I	98.8	Very high	98.4	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	142.7	178.1	-163.3	169.8	0	0	0	110.3	F140 W157 T158 T167 Q168 L171	F140-I148 HydrophobicContact CB-CG2 4.12Å; F140-I148 HydrophobicContact CD2-CG2 3.78Å; F140-I148 HydrophobicContact CG-CG2 4.26Å; F140-I148 PolarHBondContact N-O 2.7Å; F140-I148 PolarHBondContact O-N 3.39Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; I148-T158 WeakPolarHBondContact CA-O 3.14Å; I148-T158 WeakPolarHBondContact CG1-O 3.16Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; I148-Q168 HydrophobicContact CD1-CB 3.82Å; I148-L171 HydrophobicContact CD1-CD1 3.89Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	56.5 Å²	56.5	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.4	179.4	0	0	0	0	0	111.8	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.84Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.06Å
150	L	98.8	Very high	98.4	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.4	168	-175.4	66.9	0	0	0	108.6	D138 L154 W157 A177 D180 L184	D138-L150 HydrophobicContact CB-CB 4.11Å; D138-L150 HydrophobicContact CB-CD2 4.26Å; D138-L150 WeakPolarHBondContact O-CB 3.3Å; D138-L150 PolarHBondContact O-N 3.36Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.75Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.44Å; L150-W157 HydrophobicContact CD1-CH2 4.16Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.43Å; L150-A177 HydrophobicContact CD1-CB 3.86Å; L150-D180 HydrophobicContact CD2-CB 4.09Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å
151	N	98.6	Very high	98.4	Very high	45 Å²	45	56.8 Å²	56.8	24%	0.241	32%	0.316	C	S	.	.			trans	-72.6	163.2	-179.4	-68	-29.2	0	0	0	111.3	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 3.26Å; N151-L154 WeakPolarHBondContact O-CA 3.48Å; N151-L154 PolarHBondContact O-N 2.04Å; N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.18Å; N151-S156 PolarHBondContact N-O 2.75Å; N151-S156 PolarHBondContact ND2-O 3.27Å; N151-S156 PolarHBondContact ND2-OG 2.9Å; N151-T158 PolarHBondContact ND2-OG1 3.01Å; N151-T158 WeakPolarHBondContact OD1-CB 3.34Å; N151-T158 PolarHBondContact OD1-OG1 3.22Å
152	E	97.6	Very high	98.4	Very high	135 Å²	135	61.3 Å²	61.3	63%	0.631	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.2	179.7	-65.7	179.5	-167.8	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.48Å; R135-E152 IonicContact CZ-OE1 3.46Å; R135-E152 VanDerWaalsContact NH1-CD 3.28Å; R135-E152 IonicContact NH1-OE1 3.66Å; R135-E152 PolarHBondContact NH1-OE1 2.76Å; R135-E152 IonicContact NH1-OE2 2.73Å; R135-E152 VanDerWaalsContact NH2-CG 3.33Å; R135-E152 IonicContact NH2-OE1 3.31Å; R135-E152 PolarHBondContact NH2-OE1 2.85Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.6	Very high	98.3	Very high	79 Å²	79	61 Å²	61	42%	0.422	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-8.4	174.8	70.8	3.3	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 3.26Å; D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 2.74Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.89Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.29Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
154	L	98.1	Very high	98.4	Very high	9 Å²	9	58 Å²	58	5%	0.047	33%	0.326	C	S	.	.	S	Bend	trans	53.3	29.8	-175.4	-53.6	-178.6	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.23Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.31Å; N151-L154 WeakPolarHBondContact O-CA 3.48Å; N151-L154 PolarHBondContact O-N 2.04Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; L154-E185 HydrophobicContact CD1-CG 4.21Å
155	R	97.8	Very high	98.4	Very high	161 Å²	161	58.7 Å²	58.7	61%	0.608	31%	0.313	S	S	*	.	S	Bend	trans	-136.9	-32.4	-173.7	-70.9	169.9	-176	-89	14.4	112.9	D153	D153-R155 VanDerWaalsContact O-CG 3.32Å; D153-R155 WeakPolarHBondContact O-CG 3.48Å; D153-R155 PolarHBondContact O-N 2.74Å; D153-R155 PolarHBondContact OD1-N 3.45Å
156	S	98	Very high	98.4	Very high	41 Å²	41	54 Å²	54	29%	0.287	30%	0.295	S	S	.	.			trans	-115.7	161.7	-177.4	63.2	0	0	0	0	111.6	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.34Å; N151-S156 WeakPolarHBondContact CB-OG 3.18Å; N151-S156 PolarHBondContact N-O 2.75Å; N151-S156 PolarHBondContact ND2-O 3.27Å; N151-S156 PolarHBondContact ND2-OG 2.9Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.89Å; D153-S156 PolarHBondContact OD1-OG 3.4Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.29Å; D153-S156 PolarHBondContact OD2-OG 2.83Å
157	W	98.7	Very high	98.4	Very high	11 Å²	11	49.3 Å²	49.3	4%	0.042	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.7	-178	-61.5	87.8	0	0	0	110.7	F140 I148 A149 L150 Q168 L171 A176 A177 D180	F140-W157 HydrophobicContact CE2-CZ3 4.38Å; I148-W157 HydrophobicContact CD1-CB 4.22Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CG1-CB 4.29Å; I148-W157 HydrophobicContact CG1-CE3 4.06Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.47Å; L150-W157 HydrophobicContact CB-CE3 4.05Å; L150-W157 HydrophobicContact CB-CH2 4.06Å; L150-W157 HydrophobicContact CB-CZ3 3.75Å; L150-W157 HydrophobicContact CD1-CD2 4.18Å; L150-W157 HydrophobicContact CD1-CE3 4.44Å; L150-W157 HydrophobicContact CD1-CH2 4.16Å; L150-W157 HydrophobicContact CD1-CZ2 3.88Å; L150-W157 HydrophobicContact CD1-CZ3 4.43Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.04Å; W157-L171 HydrophobicContact CD2-CD1 3.84Å; W157-L171 HydrophobicContact CE3-CD1 3.95Å; W157-L171 HydrophobicContact CH2-CD1 4.02Å; W157-L171 HydrophobicContact CZ2-CB 4.48Å; W157-L171 HydrophobicContact CZ2-CD1 3.89Å; W157-L171 HydrophobicContact CZ3-CD1 4.04Å; W157-A176 HydrophobicContact CZ2-CB 4.33Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.23Å
158	T	98.7	Very high	98.4	Very high	80 Å²	80	51 Å²	51	49%	0.491	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.9	167.8	-66.2	0	0	0	0	109.2	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.14Å; I148-T158 WeakPolarHBondContact CG1-O 3.16Å; A149-T158 PolarHBondContact N-O 2.82Å; A149-T158 PolarHBondContact O-N 3.06Å; N151-T158 PolarHBondContact ND2-OG1 3.01Å; N151-T158 WeakPolarHBondContact OD1-CB 3.34Å; N151-T158 PolarHBondContact OD1-OG1 3.22Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	58 Å²	58	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.1	176.7	0	0	0	0	0	110.7	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.7Å; A159-Q165 HydrophobicContact CB-CG 3.99Å; A159-Q168 HydrophobicContact CB-CB 4.39Å
160	A	98.5	Very high	98.3	Very high	60 Å²	60	61.8 Å²	61.8	50%	0.496	32%	0.316	S	S	.	.	S	Bend	trans	-74.4	-31.4	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.48Å; D146-A160 WeakPolarHBondContact O-CB 3.34Å; Y147-A160 WeakPolarHBondContact O-CB 3.41Å; Y147-A160 PolarHBondContact O-N 2.75Å
161	D	98.4	Very high	98.3	Very high	55 Å²	55	63 Å²	63	29%	0.294	32%	0.322	S	S	.	.	S	Bend	trans	-151.1	-175.8	-178.2	68.3	28	0	0	0	113.4	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.23Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.5Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.25Å; Y109-D161 VanDerWaalsContact OH-OD1 3.14Å; Y109-D161 PolarHBondContact OH-OD2 2.82Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 3.32Å; D161-A164 WeakPolarHBondContact O-CB 3.29Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.86Å
162	T	98.3	Very high	98.3	Very high	110 Å²	110	65.5 Å²	65.5	68%	0.675	33%	0.332	S	S	*	.	H	α-helix	trans	-64.5	-29.4	-179.4	59.5	0	0	0	0	114.2
163	A	98.1	Very high	98.3	Very high	5 Å²	5	63.2 Å²	63.2	4%	0.041	34%	0.337	C	S	.	.	H	α-helix	trans	-74.1	-38.6	175.1	0	0	0	0	0	110.6	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.17Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.61Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.45Å; Y147-A163 PolarHBondContact OH-O 2.83Å; D161-A163 VanDerWaalsContact C-N 3.31Å; D161-A163 PolarHBondContact O-N 3.12Å; D161-A163 WeakPolarHBondContact OD1-CA 3.45Å; D161-A163 WeakPolarHBondContact OD1-CB 3.46Å; D161-A163 PolarHBondContact OD1-N 3.32Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.84Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 3.33Å
164	A	98.5	Very high	98.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-63.4	-34.8	172.3	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.81Å; Y147-A164 VanDerWaalsContact CE2-CA 3.44Å; Y147-A164 HydrophobicContact CE2-CB 3.61Å; Y147-A164 HydrophobicContact CG-CB 4.36Å; Y147-A164 WeakPolarHBondContact O-CB 3.27Å; A159-A164 HydrophobicContact CB-CB 3.7Å; D161-A164 WeakPolarHBondContact O-CB 3.29Å; D161-A164 PolarHBondContact O-N 3.02Å; D161-A164 PolarHBondContact OD1-N 2.93Å; A164-I166 PolarHBondContact O-N 2.9Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 2.99Å; A164-Q168 PolarHBondContact O-N 2.94Å
165	Q	98.7	Very high	98.3	Very high	75 Å²	75	70 Å²	70	35%	0.35	37%	0.37	S	S	.	.	H	α-helix	trans	-60.8	-28.3	174.4	-72.5	173.7	8.4	0	0	113.1	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.99Å; D161-Q165 WeakPolarHBondContact O-CG 3.37Å; D161-Q165 PolarHBondContact O-N 2.86Å; A163-Q165 VanDerWaalsContact C-N 3.32Å; A163-Q165 PolarHBondContact O-N 2.84Å; Q165-R169 WeakPolarHBondContact O-CG 3.48Å; Q165-R169 PolarHBondContact O-N 3.42Å; Q165-R169 VanDerWaalsContact O-N 3.17Å
166	I	98.4	Very high	98.3	Very high	60 Å²	60	62.9 Å²	62.9	31%	0.308	35%	0.346	S	S	.	.	H	α-helix	trans	-64.8	-44.9	173.8	-58.8	171.4	0	0	0	109.7	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.13Å; Y108-I166 HydrophobicContact CE1-CD1 4.48Å; Y108-I166 HydrophobicContact CE1-CG2 4.21Å; Y108-I166 HydrophobicContact CE2-CB 4.32Å; Y108-I166 HydrophobicContact CE2-CG2 4.05Å; Y108-I166 HydrophobicContact CG-CD1 4.18Å; A163-I166 WeakPolarHBondContact O-CB 3.36Å; A163-I166 PolarHBondContact O-N 3.33Å; A164-I166 PolarHBondContact O-N 2.9Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.39Å
167	T	98.3	Very high	98.3	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.178	34%	0.336	C	S	.	.	H	α-helix	trans	-67.5	-43.2	176.9	-66.6	0	0	0	0	111.4	Y147 I148 A164 R169 K170 L171	Y147-T167 HydrophobicContact CE1-CG2 4.17Å; Y147-T167 WeakPolarHBondContact OH-CB 3.4Å; Y147-T167 PolarHBondContact OH-OG1 2.84Å; I148-T167 HydrophobicContact CD1-CG2 4.26Å; A164-T167 WeakPolarHBondContact O-CB 3.46Å; A164-T167 PolarHBondContact O-N 2.99Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3Å; T167-K170 WeakPolarHBondContact O-CA 3.35Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 3.01Å; T167-L171 HydrophobicContact CG2-CD1 3.95Å; T167-L171 HydrophobicContact CG2-CG 4.1Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.25Å
168	Q	98.7	Very high	98.3	Very high	42 Å²	42	66.4 Å²	66.4	20%	0.196	36%	0.36	C	S	.	.	H	α-helix	trans	-50.8	-51.8	175.3	177.3	174.2	13.6	0	0	111.9	I148 W157 A159 A164 K170 L171 E172	I148-Q168 HydrophobicContact CD1-CB 3.82Å; W157-Q168 HydrophobicContact CB-CG 4.2Å; W157-Q168 PolarHBondContact O-NE2 3.04Å; A159-Q168 HydrophobicContact CB-CB 4.39Å; A164-Q168 PolarHBondContact O-N 2.94Å; Q168-K170 PolarHBondContact O-N 3.47Å; Q168-L171 PolarHBondContact O-N 2.92Å; Q168-L171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.36Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3Å; Q168-E172 PolarHBondContact NE2-OE1 2.89Å; Q168-E172 WeakPolarHBondContact O-CB 3.42Å; Q168-E172 WeakPolarHBondContact O-CG 3.49Å; Q168-E172 PolarHBondContact O-N 3.33Å
169	R	98.6	Very high	98.2	Very high	152 Å²	152	69.2 Å²	69.2	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-59.2	-35.3	179	-68.5	171.4	-166.5	139.1	7.9	112.5	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.48Å; Q165-R169 PolarHBondContact O-N 3.42Å; Q165-R169 VanDerWaalsContact O-N 3.17Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3Å; R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.39Å
170	K	98.1	Very high	98.1	Very high	111 Å²	111	69.6 Å²	69.6	48%	0.483	37%	0.366	S	S	.	.	H	α-helix	trans	-70	-43.7	176.5	-69.5	176.9	174.4	-172.6	0	111.8	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.38Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.39Å; T167-K170 WeakPolarHBondContact O-CA 3.35Å; T167-K170 WeakPolarHBondContact O-CB 3.39Å; T167-K170 PolarHBondContact O-N 3.01Å; Q168-K170 PolarHBondContact O-N 3.47Å; K170-A173 PolarHBondContact O-N 2.85Å; K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.87Å
171	L	98.1	Very high	98.1	Very high	40 Å²	40	69.9 Å²	69.9	21%	0.209	36%	0.355	C	S	.	.	H	α-helix	trans	-64.1	-42.6	177.6	-66.3	177.2	0	0	0	111.2	I148 W157 T167 Q168 A174 R175 A176	I148-L171 HydrophobicContact CD1-CD1 3.89Å; W157-L171 HydrophobicContact CD2-CD1 3.84Å; W157-L171 HydrophobicContact CE3-CD1 3.95Å; W157-L171 HydrophobicContact CH2-CD1 4.02Å; W157-L171 HydrophobicContact CZ2-CB 4.48Å; W157-L171 HydrophobicContact CZ2-CD1 3.89Å; W157-L171 HydrophobicContact CZ3-CD1 4.04Å; T167-L171 HydrophobicContact CG2-CD1 3.95Å; T167-L171 HydrophobicContact CG2-CG 4.1Å; T167-L171 WeakPolarHBondContact O-CG 3.39Å; T167-L171 PolarHBondContact O-N 3.25Å; Q168-L171 PolarHBondContact O-N 2.92Å; Q168-L171 VanDerWaalsContact O-N 3.13Å; L171-A174 CarbonylContact O-C 3.55Å; L171-A174 PolarHBondContact O-N 2.61Å; L171-R175 PolarHBondContact O-N 3.43Å; L171-A176 HydrophobicContact CB-CB 4.01Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.4Å; L171-A176 PolarHBondContact O-N 3.34Å
172	E	98.3	Very high	98.1	Very high	98 Å²	98	70.4 Å²	70.4	46%	0.458	37%	0.366	S	S	.	.	H	α-helix	trans	-63.5	-46.9	175.7	-72.1	170.5	177.1	0	0	111.6	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.36Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3Å; Q168-E172 PolarHBondContact NE2-OE1 2.89Å; Q168-E172 WeakPolarHBondContact O-CB 3.42Å; Q168-E172 WeakPolarHBondContact O-CG 3.49Å; Q168-E172 PolarHBondContact O-N 3.33Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.14Å; E172-R175 PolarHBondContact O-N 3.05Å; E172-R175 VanDerWaalsContact O-N 3.08Å
173	A	98.3	Very high	98.1	Very high	87 Å²	87	67.8 Å²	67.8	72%	0.719	35%	0.345	S	S	*	.	H	α-helix	trans	-62	-35.3	176.7	0	0	0	0	0	112.7	R169 K170 R175	R169-A173 VanDerWaalsContact O-CB 3.26Å; R169-A173 WeakPolarHBondContact O-CB 3.33Å; R169-A173 PolarHBondContact O-N 3.39Å; K170-A173 PolarHBondContact O-N 2.85Å; A173-R175 VanDerWaalsContact C-N 3.33Å
174	A	97.7	Very high	98.1	Very high	69 Å²	69	67.7 Å²	67.7	57%	0.57	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-4.6	176.8	0	0	0	0	0	113.9	K170 L171 E172 A176	K170-A174 VanDerWaalsContact O-CB 3.28Å; K170-A174 WeakPolarHBondContact O-CB 3.47Å; K170-A174 PolarHBondContact O-N 2.87Å; L171-A174 CarbonylContact O-C 3.55Å; L171-A174 PolarHBondContact O-N 2.61Å; E172-A174 VanDerWaalsContact C-N 3.27Å; E172-A174 PolarHBondContact O-N 3.14Å; A174-A176 PolarHBondContact O-N 3.41Å
175	R	97.6	Very high	98.1	Very high	160 Å²	160	71.9 Å²	71.9	60%	0.604	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	38.6	-172.5	-56	-177.5	176.2	-162	1.8	113.4	L171 E172 A173 A177 E178	L171-R175 PolarHBondContact O-N 3.43Å; E172-R175 PolarHBondContact O-N 3.05Å; E172-R175 VanDerWaalsContact O-N 3.08Å; A173-R175 VanDerWaalsContact C-N 3.33Å; R175-A177 PolarHBondContact O-N 3.38Å; R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 3.52Å; R175-E178 WeakPolarHBondContact O-CB 3.07Å; R175-E178 PolarHBondContact O-N 3.35Å
176	A	97.5	Very high	98.1	Very high	12 Å²	12	69.5 Å²	69.5	10%	0.099	36%	0.358	C	S	.	.	H	α-helix	trans	-56.4	-38.3	-175.8	0	0	0	0	0	112.8	W157 L171 A174 E178 Q179 D180	W157-A176 HydrophobicContact CZ2-CB 4.33Å; L171-A176 HydrophobicContact CB-CB 4.01Å; L171-A176 HydrophobicContact CD2-CB 3.64Å; L171-A176 HydrophobicContact CG-CB 4.4Å; L171-A176 PolarHBondContact O-N 3.34Å; A174-A176 PolarHBondContact O-N 3.41Å; A176-E178 PolarHBondContact O-N 3.18Å; A176-E178 VanDerWaalsContact O-N 3.13Å; A176-Q179 WeakPolarHBondContact O-CB 3.28Å; A176-Q179 PolarHBondContact O-N 3.47Å; A176-D180 PolarHBondContact O-N 3.48Å; A176-D180 VanDerWaalsContact O-N 3.08Å
177	A	98.2	Very high	98.1	Very high	9 Å²	9	69 Å²	69	7%	0.074	36%	0.358	C	S	.	.	H	α-helix	trans	-57.8	-29.9	178.4	0	0	0	0	0	113.5	L150 W157 R175 Q179 R181	L150-A177 HydrophobicContact CD1-CB 3.86Å; W157-A177 HydrophobicContact CZ2-CB 4.35Å; R175-A177 PolarHBondContact O-N 3.38Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.37Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 3.47Å
178	E	98.1	Very high	98.1	Very high	117 Å²	117	67.6 Å²	67.6	55%	0.547	35%	0.349	S	S	.	.	H	α-helix	trans	-66.1	-36.7	176	-64.6	179.4	-177.7	0	0	111.5	R175 A176 A182	R175-E178 HydrophobicContact CB-CG 4.25Å; R175-E178 IonicContact NH1-OE1 3.52Å; R175-E178 WeakPolarHBondContact O-CB 3.07Å; R175-E178 PolarHBondContact O-N 3.35Å; A176-E178 PolarHBondContact O-N 3.18Å; A176-E178 VanDerWaalsContact O-N 3.13Å; E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.93Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	96.8	Very high	98	Very high	140 Å²	140	65.9 Å²	65.9	65%	0.654	34%	0.342	S	S	*	.	H	α-helix	trans	-73.6	-46	178	-61.4	-179.7	-0.7	0	0	111.2	A176 A177 R181 A182 Y183	A176-Q179 WeakPolarHBondContact O-CB 3.28Å; A176-Q179 PolarHBondContact O-N 3.47Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.37Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.23Å; Q179-A182 PolarHBondContact O-N 2.87Å; Q179-Y183 PolarHBondContact O-N 2.99Å
180	D	97.6	Very high	98	Very high	30 Å²	30	64.6 Å²	64.6	16%	0.16	34%	0.342	C	S	.	.	H	α-helix	trans	-62.5	-43.8	178.1	-62.4	-38.7	0	0	0	110.3	R121 L150 W157 A176 A182 Y183 L184	R121-D180 IonicContact NH2-OD1 3.67Å; L150-D180 HydrophobicContact CD2-CB 4.09Å; W157-D180 WeakPolarHBondContact CH2-OD2 3.23Å; A176-D180 PolarHBondContact O-N 3.48Å; A176-D180 VanDerWaalsContact O-N 3.08Å; D180-A182 PolarHBondContact O-N 3.17Å; D180-Y183 PolarHBondContact O-N 3.41Å; D180-L184 WeakPolarHBondContact O-CB 3.4Å; D180-L184 WeakPolarHBondContact O-CG 3.15Å; D180-L184 PolarHBondContact O-N 2.88Å
181	R	98.3	Very high	98	Very high	67 Å²	67	61.4 Å²	61.4	25%	0.253	33%	0.327	S	S	.	.	H	α-helix	trans	-60	-44.8	174.3	-175.3	173.7	179.7	-132.2	-11.8	112.6	L154 A177 Q179 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.05Å; L154-R181 HydrophobicContact CB-CG 3.83Å; L154-R181 HydrophobicContact CD1-CG 4.16Å; A177-R181 WeakPolarHBondContact O-CB 3.38Å; A177-R181 PolarHBondContact O-N 3.47Å; Q179-R181 VanDerWaalsContact C-N 3.33Å; Q179-R181 PolarHBondContact O-N 3.23Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3Å; R181-L184 PolarHBondContact O-N 3.01Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 3.89Å; R181-E185 IonicContact CZ-OE2 3.55Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 3.87Å; R181-E185 PolarHBondContact NE-OE1 3.31Å; R181-E185 IonicContact NE-OE2 2.79Å; R181-E185 PolarHBondContact NE-OE2 3.39Å; R181-E185 IonicContact NH2-OE1 2.97Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 IonicContact NH2-OE2 2.61Å; R181-E185 PolarHBondContact NH2-OE2 3.06Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 3.23Å
182	A	98.4	Very high	98	Very high	65 Å²	65	59.5 Å²	59.5	54%	0.537	32%	0.317	S	S	.	.	H	α-helix	trans	-61.9	-38	177.9	0	0	0	0	0	112.2	E178 Q179 D180 G186	E178-A182 WeakPolarHBondContact O-CB 3.41Å; E178-A182 PolarHBondContact O-N 2.93Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 2.87Å; D180-A182 PolarHBondContact O-N 3.17Å; A182-G186 PolarHBondContact O-N 3.04Å
183	Y	98.2	Very high	98	Very high	56 Å²	56	60.5 Å²	60.5	22%	0.22	32%	0.317	C	S	.	.	I	π-helix	trans	-66.3	-48.8	172.8	170.8	-96.3	0	0	0	111.7	Y123 Q179 D180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 4Å; Y123-Y183 HydrophobicContact CE2-CE1 4Å; Q179-Y183 PolarHBondContact O-N 2.99Å; D180-Y183 PolarHBondContact O-N 3.41Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 2.77Å; Y183-T187 HydrophobicContact CD2-CG2 3.83Å; Y183-T187 HydrophobicContact CE2-CG2 3.67Å; Y183-T187 PolarHBondContact O-N 2.82Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 PolarHBondContact O-N 3.09Å
184	L	98.6	Very high	97.9	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.016	30%	0.304	C	S	.	.	I	π-helix	trans	-67.9	-41	-174.7	-70.2	171.5	0	0	0	112.8	G124 L150 L154 D180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.25Å; L150-L184 HydrophobicContact CD2-CD1 3.94Å; L154-L184 HydrophobicContact CD2-CD1 3.93Å; D180-L184 WeakPolarHBondContact O-CB 3.4Å; D180-L184 WeakPolarHBondContact O-CG 3.15Å; D180-L184 PolarHBondContact O-N 2.88Å; R181-L184 PolarHBondContact O-N 3.01Å; L184-V189 WeakPolarHBondContact O-CG2 3.2Å
185	E	98.1	Very high	97.9	Very high	88 Å²	88	58.9 Å²	58.9	41%	0.411	28%	0.277	S	S	.	.	I	π-helix	trans	-79	-24.5	178.2	-68.1	-177.2	166.1	0	0	113.2	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.4Å; L133-E185 HydrophobicContact CD2-CG 3.7Å; L154-E185 HydrophobicContact CD1-CG 4.21Å; R181-E185 HydrophobicContact CG-CG 4.05Å; R181-E185 IonicContact CZ-OE1 3.89Å; R181-E185 IonicContact CZ-OE2 3.55Å; R181-E185 VanDerWaalsContact NE-CD 3.29Å; R181-E185 IonicContact NE-OE1 3.87Å; R181-E185 PolarHBondContact NE-OE1 3.31Å; R181-E185 IonicContact NE-OE2 2.79Å; R181-E185 PolarHBondContact NE-OE2 3.39Å; R181-E185 IonicContact NH2-OE1 2.97Å; R181-E185 PolarHBondContact NH2-OE1 3.44Å; R181-E185 IonicContact NH2-OE2 2.61Å; R181-E185 PolarHBondContact NH2-OE2 3.06Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 3.23Å
186	G	97.9	Very high	97.8	Very high	24 Å²	24	52 Å²	52	25%	0.247	25%	0.252	C	S	.	.	I	π-helix	trans	-109.8	-84.9	-177	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.04Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 2.77Å; G186-C188 PolarHBondContact O-N 3.34Å; G186-V189 PolarHBondContact O-N 3.17Å; G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.08Å
187	T	97.9	Very high	97.8	Very high	50 Å²	50	57.1 Å²	57.1	31%	0.307	27%	0.274	S	S	.	.	I	π-helix	trans	-56.8	-46	-170.6	-59	0	0	0	0	112.3	Y183 V189 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.83Å; Y183-T187 HydrophobicContact CE2-CG2 3.67Å; Y183-T187 PolarHBondContact O-N 2.82Å; T187-V189 PolarHBondContact O-N 3.25Å; T187-E190 PolarHBondContact O-N 3.45Å; T187-W191 PolarHBondContact O-N 3.05Å
188	C	98.4	Very high	97.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-59.8	-48.8	-179	-172	0	0	0	0	111.4	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.16Å; M29-C188 WeakPolarHBondContact CE-O 3.46Å; M29-C188 WeakPolarHBondContact CE-SG 3.35Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 2.81Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 PolarHBondContact O-N 3.09Å; G186-C188 PolarHBondContact O-N 3.34Å; C188-E190 PolarHBondContact O-N 3.48Å; C188-W191 PolarHBondContact O-N 3.01Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.84Å
189	V	98.3	Very high	97.6	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-60.7	-45.8	178.4	174.3	0	0	0	0	111.6	L127 L133 L184 G186 T187 R193	L127-V189 HydrophobicContact CD2-CB 4.19Å; L127-V189 HydrophobicContact CD2-CG1 3.79Å; L127-V189 HydrophobicContact CD2-CG2 3.84Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 3.96Å; L184-V189 WeakPolarHBondContact O-CG2 3.2Å; G186-V189 PolarHBondContact O-N 3.17Å; T187-V189 PolarHBondContact O-N 3.25Å; V189-R193 WeakPolarHBondContact O-CG 3.18Å; V189-R193 PolarHBondContact O-N 2.84Å
190	E	98.1	Very high	97.4	Very high	126 Å²	126	52.2 Å²	52.2	59%	0.589	25%	0.25	S	C	*	.	H	α-helix	trans	-62	-45.7	179.8	-73.1	175.5	178.3	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.47Å; G186-E190 PolarHBondContact O-N 3.08Å; T187-E190 PolarHBondContact O-N 3.45Å; C188-E190 PolarHBondContact O-N 3.48Å; E190-R194 PolarHBondContact O-N 2.89Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98.1	Very high	97.1	Very high	44 Å²	44	60.1 Å²	60.1	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-69.2	-41.2	179.2	-81.9	98.4	0	0	0	112.4	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.07Å; M29-W191 HydrophobicContact SD-CB 4.45Å; Y83-W191 AromaticContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CH2 3.5Å; Y83-W191 HydrophobicContact CD2-CZ2 4.24Å; Y83-W191 AromaticContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CD2-CZ3 3.71Å; Y83-W191 HydrophobicContact CE2-CE3 4.18Å; Y83-W191 AromaticContact CE2-CH2 3.89Å; Y83-W191 HydrophobicContact CE2-CH2 3.89Å; Y83-W191 AromaticContact CE2-CZ3 3.67Å; Y83-W191 HydrophobicContact CE2-CZ3 3.67Å; T187-W191 PolarHBondContact O-N 3.05Å; C188-W191 PolarHBondContact O-N 3.01Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.23Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 2.94Å; W191-Y195 HydrophobicContact CB-CE2 4.09Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.5Å; W191-Y195 HydrophobicContact CE3-CE1 3.5Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.5Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.48Å
192	L	98.3	Very high	96.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.9	-45.1	175.8	175	50.4	0	0	0	111.2	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.29Å; M29-L192 HydrophobicContact SD-CB 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CB-CD2 4.47Å; L127-L192 HydrophobicContact CD1-CB 4.24Å; L127-L192 HydrophobicContact CD1-CD2 3.68Å; L127-L192 HydrophobicContact CD1-CG 3.73Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.22Å; C188-L192 WeakPolarHBondContact O-CB 3.3Å; C188-L192 PolarHBondContact O-N 2.84Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.32Å; L192-Y195 PolarHBondContact O-N 3.08Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.18Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.81Å
193	R	97	Very high	96.5	Very high	119 Å²	119	56.2 Å²	56.2	45%	0.449	26%	0.26	S	S	.	.	H	α-helix	trans	-59.1	-43.3	174.2	-71.4	176.9	-172.2	149.7	-0.8	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.29Å; G131-R193 PolarHBondContact O-NE 3.05Å; G131-R193 PolarHBondContact O-NH2 3.13Å; V189-R193 WeakPolarHBondContact O-CG 3.18Å; V189-R193 PolarHBondContact O-N 2.84Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.23Å; R193-L196 PolarHBondContact O-N 3.31Å; R193-E197 PolarHBondContact O-N 3.42Å
194	R	97.3	Very high	96.1	Very high	121 Å²	121	57.8 Å²	57.8	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-61.3	-44.7	176.5	178.2	179	175.3	120.9	-4.4	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.95Å; E79-R194 IonicContact OE1-NE 3.97Å; E79-R194 PolarHBondContact OE1-NE 2.92Å; E79-R194 IonicContact OE1-NH2 3.01Å; E79-R194 PolarHBondContact OE1-NH2 3.22Å; E79-R194 VanDerWaalsContact OE1-NH2 3.14Å; E79-R194 IonicContact OE2-CZ 3.62Å; E79-R194 IonicContact OE2-NE 3.98Å; E79-R194 IonicContact OE2-NH2 2.67Å; E79-R194 PolarHBondContact OE2-NH2 2.94Å; E190-R194 PolarHBondContact O-N 2.89Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.42Å; W191-R194 PolarHBondContact O-N 2.94Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.32Å; R194-E197 PolarHBondContact O-N 2.94Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 2.92Å; R194-N198 PolarHBondContact O-OD1 3.01Å
195	Y	97.6	Very high	95.8	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-39.6	178.6	-62.2	-30.3	0	0	0	112.5	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.69Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 3.93Å; V52-Y195 HydrophobicContact CG2-CG 4.44Å; F57-Y195 HydrophobicContact CD2-CE2 4.37Å; F57-Y195 HydrophobicContact CE2-CD2 4.22Å; F57-Y195 AromaticContact CE2-CE2 3.55Å; F57-Y195 HydrophobicContact CE2-CE2 3.55Å; F57-Y195 AromaticContact CE2-CZ 3.77Å; F57-Y195 HydrophobicContact CZ-CD2 4.26Å; F57-Y195 AromaticContact CZ-CE2 3.7Å; F57-Y195 HydrophobicContact CZ-CE2 3.7Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.46Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.07Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.24Å; W75-Y195 HydrophobicContact CZ3-CE1 4.28Å; W75-Y195 AromaticContact CZ3-CG 3.54Å; W75-Y195 HydrophobicContact CZ3-CG 3.54Å; V76-Y195 HydrophobicContact CG2-CE1 4.45Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.37Å; Y83-Y195 PolarHBondContact OH-OH 2.86Å; W191-Y195 HydrophobicContact CB-CE2 4.09Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.5Å; W191-Y195 HydrophobicContact CE3-CE1 3.5Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.5Å; W191-Y195 HydrophobicContact CE3-CE2 4.27Å; W191-Y195 AromaticContact CE3-CZ 3.4Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.4Å; W191-Y195 AromaticContact CZ3-CE1 3.89Å; W191-Y195 HydrophobicContact CZ3-CE1 3.89Å; W191-Y195 VanDerWaalsContact O-CD2 3.3Å; W191-Y195 WeakPolarHBondContact O-CD2 3.45Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 3.48Å; L192-Y195 PolarHBondContact O-N 3.08Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.44Å; Y195-N198 PolarHBondContact O-N 3.35Å; Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 3.08Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å
196	L	96.1	Very high	95.6	Very high	14 Å²	14	59.2 Å²	59.2	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-62.1	-36.5	174.5	-71.4	169.9	0	0	0	112.3	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.98Å; H27-L196 HydrophobicContact CB-CG 4.4Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.05Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.37Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.47Å; L192-L196 WeakPolarHBondContact O-CB 3.18Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.48Å; L192-L196 PolarHBondContact O-N 2.81Å; R193-L196 PolarHBondContact O-N 3.31Å; L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.5Å; L196-K200 PolarHBondContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.12Å
197	E	95.9	Very high	95.4	Very high	120 Å²	120	61.2 Å²	61.2	56%	0.561	28%	0.282	S	S	*	.	H	α-helix	trans	-71.9	-48	175	-172	57.5	-147.6	0	0	111.3	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.42Å; R194-E197 PolarHBondContact O-N 2.94Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.44Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.01Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.44Å
198	N	96.8	Very high	95.4	Very high	53 Å²	53	62 Å²	62	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-42.3	178.3	-71.2	-8	0	0	0	112.4	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.42Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 2.78Å; Q78-N198 PolarHBondContact NE2-OD1 2.95Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.13Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å; R194-N198 WeakPolarHBondContact O-CB 3.48Å; R194-N198 PolarHBondContact O-N 2.92Å; R194-N198 PolarHBondContact O-OD1 3.01Å; Y195-N198 PolarHBondContact O-N 3.35Å
199	G	95.6	Very high	95.4	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.01	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	16.6	-176.9	0	0	0	0	0	113.7	Y195 E197 K201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.34Å; Y195-G199 PolarHBondContact O-N 3.08Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 3.01Å; G199-K201 PolarHBondContact O-N 2.91Å; G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.36Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 3.45Å; G199-L203 PolarHBondContact O-N 2.89Å
200	K	93.5	Very high	95.4	Very high	109 Å²	109	69.7 Å²	69.7	47%	0.474	32%	0.322	S	S	.	.	H	α-helix	trans	-48.6	-41.8	-171.2	-176.2	170.8	-171.3	168.5	0	114.6	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.45Å; L196-K200 WeakPolarHBondContact O-CB 3.5Å; L196-K200 PolarHBondContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 3.44Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.73Å; K200-Q204 WeakPolarHBondContact O-CB 3.26Å; K200-Q204 PolarHBondContact O-N 2.76Å
201	K	91.3	Very high	95.3	Very high	197 Å²	197	65.7 Å²	65.7	86%	0.857	31%	0.306	S	S	*	.	H	α-helix	trans	-67.7	-23.4	179.5	-68.5	-178.6	176.5	177.6	0	114	G199	G199-K201 PolarHBondContact O-N 2.91Å
202	T	90.8	Very high	95.2	Very high	46 Å²	46	67.4 Å²	67.4	28%	0.282	32%	0.316	S	S	.	.	H	α-helix	trans	-104.9	-42.4	-175.3	4.8	0	0	0	0	112	G199 K200 R205	G199-T202 CarbonylContact O-C 3.6Å; G199-T202 WeakPolarHBondContact O-CA 3.36Å; G199-T202 PolarHBondContact O-N 2.88Å; G199-T202 PolarHBondContact O-OG1 3.45Å; K200-T202 VanDerWaalsContact C-N 3.26Å; K200-T202 PolarHBondContact O-N 2.73Å; T202-R205 WeakPolarHBondContact O-CD 3.4Å; T202-R205 WeakPolarHBondContact O-CG 3.28Å; T202-R205 PolarHBondContact O-NE 3.31Å
203	L	92.3	Very high	95.2	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-89.4	-29.4	-173	-61.2	172	0	0	0	113.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.26Å; V52-L203 HydrophobicContact CB-CD2 4.14Å; V52-L203 HydrophobicContact CG1-CD1 3.88Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; V52-L203 HydrophobicContact CG1-CG 4.5Å; T55-L203 HydrophobicContact CG2-CD2 4.1Å; W75-L203 HydrophobicContact CD2-CD1 4.44Å; W75-L203 HydrophobicContact CH2-CD1 4.41Å; W75-L203 HydrophobicContact CZ2-CD1 3.85Å; W75-L203 HydrophobicContact CZ2-CD2 4.13Å; W75-L203 HydrophobicContact CZ2-CG 4.42Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.13Å; L196-L203 HydrophobicContact CD2-CD1 4.33Å; G199-L203 PolarHBondContact O-N 2.89Å
204	Q	90.3	Very high	95.2	Very high	89 Å²	89	64.5 Å²	64.5	42%	0.416	31%	0.312	S	S	.	.	S	Bend	trans	-103.1	29.5	178.7	-58.1	177.1	34.9	0	0	111.6	L196 K200	L196-Q204 HydrophobicContact CD2-CG 4.49Å; L196-Q204 PolarHBondContact O-NE2 3.12Å; K200-Q204 WeakPolarHBondContact O-CB 3.26Å; K200-Q204 PolarHBondContact O-N 2.76Å
205	R	91.6	Very high	95.1	Very high	81 Å²	81	61.4 Å²	61.4	31%	0.306	30%	0.302	S	S	.	.			trans	-103.5	148.2	172.6	80.1	-171.6	177.4	-157.3	1.8	108.8	T202 E207 Y233	T202-R205 WeakPolarHBondContact O-CD 3.4Å; T202-R205 WeakPolarHBondContact O-CG 3.28Å; T202-R205 PolarHBondContact O-NE 3.31Å; R205-E207 HydrophobicContact CG-CG 4.43Å; R205-E207 IonicContact CZ-OE1 3.84Å; R205-E207 IonicContact NE-OE1 2.72Å; R205-E207 PolarHBondContact NE-OE1 2.99Å; R205-E207 IonicContact NH1-OE1 3.4Å; R205-E207 IonicContact NH2-OE1 3.47Å; R205-E207 PolarHBondContact NH2-OE1 3.4Å; R205-Y233 HydrophobicContact CG-CD1 4.03Å; R205-Y233 HydrophobicContact CG-CE1 4.37Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; R205-Y233 WeakPolarHBondContact O-CE1 3.47Å
206	A	93.8	Very high	95	Very high	40 Å²	40	65.1 Å²	65.1	33%	0.331	32%	0.319	S	S	.	.			trans	-119.5	121.1	164.5	0	0	0	0	0	108.2	Y233 E288	A206-Y233 CarbonylContact C-O 3.6Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; A206-E288 HydrophobicContact CB-CG 3.99Å
207	E	95.6	Very high	94.9	Very high	66 Å²	66	69.1 Å²	69.1	31%	0.308	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-100.5	114.1	175.8	-67.7	-173.5	-121.7	0	0	108.3	R205 F232 Y233 H287	R205-E207 HydrophobicContact CG-CG 4.43Å; R205-E207 IonicContact CZ-OE1 3.84Å; R205-E207 IonicContact NE-OE1 2.72Å; R205-E207 PolarHBondContact NE-OE1 2.99Å; R205-E207 IonicContact NH1-OE1 3.4Å; R205-E207 IonicContact NH2-OE1 3.47Å; R205-E207 PolarHBondContact NH2-OE1 3.4Å; E207-F232 WeakPolarHBondContact O-CA 3.33Å; E207-F232 WeakPolarHBondContact O-CB 3.47Å; E207-Y233 PolarHBondContact N-O 2.62Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 3.36Å
208	P	97	Very high	94.6	Very high	67 Å²	67	68.4 Å²	68.4	44%	0.435	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-67.8	148.1	-179.2	25.3	-32.5	0	0	0	111.6	L290	P208-L290 HydrophobicContact CB-CD2 3.9Å
209	P	97.8	Very high	94.4	Very high	11 Å²	11	68.5 Å²	68.5	7%	0.071	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-65.8	138	178.3	26.5	-33.9	0	0	0	112.1	T211 A229 F232 I237 M285 H287 L290	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-M285 HydrophobicContact CB-SD 3.88Å; P209-M285 HydrophobicContact CG-CG 4.47Å; P209-M285 HydrophobicContact CG-SD 3.38Å; P209-M285 WeakPolarHBondContact CG-SD 3.5Å; P209-H287 HydrophobicContact CG-CB 4.28Å; P209-L290 HydrophobicContact CG-CD1 4.17Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.41Å
210	K	97.9	Very high	94.1	Very high	155 Å²	155	75.8 Å²	75.8	67%	0.674	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.1	161.5	-65.4	171.6	-173.5	165.9	0	108.1	L230	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.13Å
211	T	97.3	Very high	94.1	Very high	42 Å²	42	77.5 Å²	77.5	26%	0.258	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	144.6	-169.8	62.2	0	0	0	0	113.2	P209 W228 M285 L294 L296	P209-T211 HydrophobicContact CB-CG2 4Å; P209-T211 HydrophobicContact CG-CG2 4.1Å; T211-W228 VanDerWaalsContact CA-O 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.35Å; T211-M285 WeakPolarHBondContact CG2-SD 3.42Å; T211-L294 HydrophobicContact CG2-CD1 4.26Å; T211-L296 VanDerWaalsContact CB-CD1 3.5Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å
212	H	96.1	Very high	94.3	Very high	80 Å²	80	72.7 Å²	72.7	37%	0.37	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	158.1	168.6	61.4	-72.2	0	0	0	110.5	W228	H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.61Å; H212-W228 PolarHBondContact N-O 3.37Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.68Å; H212-W228 PolarHBondContact O-N 2.83Å
213	V	97.8	Very high	94.6	Very high	25 Å²	25	70.5 Å²	70.5	15%	0.152	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.4	174.7	-178	0	0	0	0	109	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; V213-C227 HydrophobicContact CG2-CB 4.47Å; V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.37Å; V213-W241 HydrophobicContact CG2-CH2 4.44Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.6	Very high	94.8	Very high	33 Å²	33	71.1 Å²	71.1	20%	0.202	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.7	176	53	0	0	0	0	110.3	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 3.23Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; T214-L225 WeakPolarHBondContact O-CA 3.37Å; T214-R226 PolarHBondContact N-O 2.89Å; T214-R226 PolarHBondContact O-N 2.83Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.45Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; T214-W228 PolarHBondContact OG1-NE1 3.01Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å
215	H	96	Very high	95.2	Very high	56 Å²	56	66.9 Å²	66.9	26%	0.259	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.7	179.7	168.8	-91.9	0	0	0	109.6	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.22Å; H215-T224 WeakPolarHBondContact CA-O 3.32Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.18Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.82Å; H215-W298 AromaticContact CG-CZ2 3.86Å
216	H	94.6	Very high	95.5	Very high	79 Å²	79	65.5 Å²	65.5	37%	0.366	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	105.7	-179.3	-57.9	84.2	0	0	0	109.1	T214 L218 A223 T224 R226	T214-H216 PolarHBondContact OG1-CE1 3.23Å; T214-H216 VanDerWaalsContact OG1-CE1 3.29Å; H216-L218 PolarHBondContact O-N 3.33Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.37Å; H216-T224 PolarHBondContact N-O 3.2Å; H216-T224 PolarHBondContact O-N 3.21Å; H216-R226 PolarHBondContact CE1-NH1 3.07Å
217	P	93.7	Very high	95.7	Very high	98 Å²	98	63.6 Å²	63.6	64%	0.636	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	130.6	173.7	-19.4	29.8	0	0	0	110.8
218	L	91.1	Very high	95.8	Very high	104 Å²	104	62.8 Å²	62.8	55%	0.545	32%	0.323	S	S	.	.			trans	-101	-40.2	173.1	-65.1	177.8	0	0	0	110.9	H216 E222 T224 V272	H216-L218 PolarHBondContact O-N 3.33Å; L218-E222 PolarHBondContact N-O 3.03Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; L218-V272 HydrophobicContact CD1-CG1 4.22Å; L218-V272 HydrophobicContact CD1-CG2 4.25Å
219	S	92.1	Very high	95.9	Very high	56 Å²	56	59.6 Å²	59.6	39%	0.392	30%	0.302	S	S	.	.	S	Bend	trans	-151.7	-177.2	177	70.9	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; S219-E222 PolarHBondContact N-O 3.23Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.85Å
220	D	89.3	Confident	95.9	Very high	153 Å²	153	61.6 Å²	61.6	82%	0.818	31%	0.312	S	S	*	.	S	Bend	trans	-66.6	-9.5	172.1	-65.6	-21.7	0	0	0	113.3
221	H	93.4	Very high	95.9	Very high	146 Å²	146	55.1 Å²	55.1	68%	0.676	29%	0.29	S	S	*	.	S	Bend	trans	-116	-17.4	-175	-56.3	-41.7	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.86Å; S219-H221 VanDerWaalsContact OG-N 3.16Å; H221-P274 CarbonylContact O-C 3.56Å; H221-P274 WeakPolarHBondContact O-CA 3.18Å; H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 2.86Å
222	E	95.7	Very high	95.9	Very high	95 Å²	95	53.1 Å²	53.1	44%	0.444	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.6	-171.1	-66.4	-178.7	167	0	0	112.2	L218 S219 V272 V273 S275	L218-E222 PolarHBondContact N-O 3.03Å; S219-E222 PolarHBondContact N-O 3.23Å; S219-E222 VanDerWaalsContact N-O 3.07Å; S219-E222 VanDerWaalsContact O-O 3.13Å; S219-E222 PolarHBondContact OG-N 2.85Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; E222-V273 WeakPolarHBondContact CA-O 3.38Å; E222-S275 PolarHBondContact N-OG 2.9Å
223	A	96.1	Very high	96	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.5	171.8	0	0	0	0	0	110.8	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.22Å; H216-A223 CarbonylContact O-C 3.58Å; H216-A223 WeakPolarHBondContact O-CA 3.37Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å; A223-V273 PolarHBondContact N-O 3.14Å; A223-V273 PolarHBondContact O-N 2.72Å
224	T	97.6	Very high	95.8	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.098	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.7	169.4	-55.2	0	0	0	0	109.8	H215 H216 L218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.32Å; H216-T224 PolarHBondContact N-O 3.2Å; H216-T224 PolarHBondContact O-N 3.21Å; L218-T224 WeakPolarHBondContact CD1-OG1 3.49Å; T224-A270 HydrophobicContact CG2-CB 3.88Å; T224-V271 WeakPolarHBondContact CA-O 3.44Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	127.9	163.2	-62.9	-175.8	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.42Å; V213-L225 HydrophobicContact CG1-CD2 4.48Å; T214-L225 WeakPolarHBondContact O-CA 3.37Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.82Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.11Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.38Å; L225-V271 PolarHBondContact O-N 2.67Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.3	Very high	95.8	Very high	52 Å²	52	52.6 Å²	52.6	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118	176.2	-179.6	-175.5	-61.9	120.8	2.6	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.58Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; T214-R226 PolarHBondContact N-O 2.89Å; T214-R226 PolarHBondContact O-N 2.83Å; T214-R226 WeakPolarHBondContact OG1-CB 3.48Å; T214-R226 PolarHBondContact OG1-O 3.45Å; T214-R226 VanDerWaalsContact OG1-O 3.13Å; H216-R226 PolarHBondContact CE1-NH1 3.07Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.36Å; R226-A270 HydrophobicContact CB-CB 3.98Å; R226-A270 HydrophobicContact CG-CB 4.11Å
227	C	98.2	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	123.3	176.8	-175.5	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.47Å; C227-W241 HydrophobicContact CB-CH2 4.41Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.4Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; C227-A269 PolarHBondContact N-O 2.8Å; C227-A269 PolarHBondContact O-N 3.19Å; C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.14Å
228	W	98.4	Very high	96	Very high	49 Å²	49	47.5 Å²	47.5	19%	0.186	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	139.2	-177.9	-69.4	89.4	0	0	0	111.2	T211 H212 T214 R226 L230 W268	T211-W228 VanDerWaalsContact CA-O 3.24Å; T211-W228 WeakPolarHBondContact CA-O 3.48Å; H212-W228 AromaticContact CD2-CD1 3.92Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.39Å; H212-W228 AromaticContact CE1-CD1 3.84Å; H212-W228 AromaticContact CE1-CG 3.61Å; H212-W228 PolarHBondContact N-O 3.37Å; H212-W228 AromaticContact NE2-CD1 3.45Å; H212-W228 AromaticContact NE2-CG 3.68Å; H212-W228 PolarHBondContact O-N 2.83Å; T214-W228 PolarHBondContact OG1-NE1 3.01Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å; R226-W228 HydrophobicContact CG-CZ2 4.4Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.4	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	121.1	163.3	0	0	0	0	0	108	P209 F232 I237 L239 Q266 K267 M285	P209-A229 HydrophobicContact CB-CB 3.87Å; A229-F232 HydrophobicContact CB-CD1 3.92Å; A229-F232 HydrophobicContact CB-CE1 3.65Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; A229-L239 HydrophobicContact CB-CD1 4.23Å; A229-L239 HydrophobicContact CB-CD2 4.3Å; A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.25Å; A229-Q266 WeakPolarHBondContact O-CA 3.24Å; A229-K267 PolarHBondContact N-O 3.36Å; A229-K267 PolarHBondContact O-N 3.18Å; A229-K267 VanDerWaalsContact O-O 3.1Å; A229-M285 HydrophobicContact CB-CE 3.69Å; A229-M285 HydrophobicContact CB-SD 3.92Å
230	L	98.3	Very high	96.6	Very high	53 Å²	53	42.1 Å²	42.1	28%	0.277	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.5	-176.5	-59	178	0	0	0	111.2	K210 W228 F232 Q266	K210-L230 HydrophobicContact CB-CB 4.47Å; K210-L230 PolarHBondContact N-O 2.79Å; K210-L230 PolarHBondContact O-N 3.13Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-F232 PolarHBondContact O-N 3.36Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å
231	G	97.7	Very high	97	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.8	31.7	168.4	0	0	0	0	0	114	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.42Å; G231-F265 PolarHBondContact N-O 2.81Å
232	F	97.6	Very high	97.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	157	179.8	60.1	-90.2	0	0	0	112.5	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.33Å; E207-F232 WeakPolarHBondContact O-CB 3.47Å; P209-F232 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CD1 3.92Å; P209-F232 HydrophobicContact CB-CG 4.19Å; A229-F232 HydrophobicContact CB-CD1 3.92Å; A229-F232 HydrophobicContact CB-CE1 3.65Å; A229-F232 WeakPolarHBondContact O-CE1 3.22Å; L230-F232 PolarHBondContact O-N 3.36Å; F232-P234 WeakPolarHBondContact CD2-O 3.1Å; F232-I237 HydrophobicContact CD1-CD1 4Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.05Å; F232-I237 HydrophobicContact CE1-CD1 3.89Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.92Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.34Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.82Å; F232-F265 PolarHBondContact O-N 2.92Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å
233	Y	96.3	Very high	97.3	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.012	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-152.4	136.9	173.6	177.4	-85.9	0	0	0	109.2	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.09Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 HydrophobicContact CG-CD1 4.03Å; R205-Y233 HydrophobicContact CG-CE1 4.37Å; R205-Y233 VanDerWaalsContact O-CD1 3.29Å; R205-Y233 WeakPolarHBondContact O-CD1 3.44Å; R205-Y233 WeakPolarHBondContact O-CE1 3.47Å; A206-Y233 CarbonylContact C-O 3.6Å; A206-Y233 WeakPolarHBondContact CA-O 3.49Å; E207-Y233 PolarHBondContact N-O 2.62Å; E207-Y233 PolarHBondContact O-N 2.85Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.13Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; Y233-H287 PolarHBondContact O-CE1 3.29Å
234	P	95.3	Very high	97.3	Very high	17 Å²	17	33.7 Å²	33.7	11%	0.11	17%	0.172	C	C	.	.	S	Bend	cis	-72	-179.6	2	31	-36.7	0	0	0	113.2	D54 F232 E236 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.33Å; F232-P234 WeakPolarHBondContact CD2-O 3.1Å; P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.43Å; P234-H287 PolarHBondContact O-NE2 3.48Å; P234-E288 WeakPolarHBondContact CG-OE2 3.28Å
235	A	96.4	Very high	97	Very high	15 Å²	15	35.4 Å²	35.4	12%	0.124	19%	0.193	C	C	.	.	S	Bend	trans	-71	-25.4	-175.4	0	0	0	0	0	113.7	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.18Å; D54-A235 PolarHBondContact OD2-N 3.23Å; A235-I237 PolarHBondContact O-N 2.88Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.72Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.72Å
236	E	95.6	Very high	96.9	Very high	147 Å²	147	41.9 Å²	41.9	69%	0.687	22%	0.223	S	C	*	.			trans	-64.5	116.6	179.7	-172.2	58.1	-144.5	0	0	110.2	P234 H287	P234-E236 VanDerWaalsContact C-N 3.33Å; P234-E236 PolarHBondContact O-N 3.43Å; E236-H287 PolarHBondContact O-CD2 3.01Å
237	I	96.1	Very high	96.8	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.051	24%	0.238	C	C	.	.			trans	-152.2	139.1	-178.6	-166.2	169.5	0	0	0	109.5	P209 A229 F232 A235 L239 K267 M285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.23Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.67Å; F232-I237 HydrophobicContact CD1-CD1 4Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 4.05Å; F232-I237 HydrophobicContact CE1-CD1 3.89Å; F232-I237 HydrophobicContact CE1-CG2 4.45Å; F232-I237 HydrophobicContact CE2-CB 3.78Å; F232-I237 HydrophobicContact CE2-CD1 3.98Å; F232-I237 HydrophobicContact CE2-CG1 4.47Å; F232-I237 HydrophobicContact CE2-CG2 3.57Å; F232-I237 HydrophobicContact CG-CD1 4.08Å; F232-I237 HydrophobicContact CZ-CB 4.16Å; F232-I237 HydrophobicContact CZ-CD1 3.92Å; F232-I237 HydrophobicContact CZ-CG2 3.53Å; A235-I237 PolarHBondContact O-N 2.88Å; I237-L239 HydrophobicContact CB-CD1 4.4Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.56Å; I237-L239 HydrophobicContact CG2-CD1 4.05Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; I237-M285 HydrophobicContact CD1-CG 4.15Å; I237-M285 HydrophobicContact CD1-SD 4.04Å; I237-M285 HydrophobicContact CG1-CG 4.38Å; I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; I237-H287 HydrophobicContact CD1-CB 4.15Å; I237-H287 HydrophobicContact CG1-CB 3.98Å
238	T	96.8	Very high	96.7	Very high	60 Å²	60	45 Å²	45	37%	0.368	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.4	174.4	-63.3	0	0	0	0	110.3	T240 M285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.16Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.34Å; T238-Q286 PolarHBondContact N-O 2.85Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.3	Very high	96.3	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.7	174	-86	66	0	0	0	108.9	A229 I237 L254 K267 A269 H284 M285	A229-L239 HydrophobicContact CB-CD1 4.23Å; A229-L239 HydrophobicContact CB-CD2 4.3Å; I237-L239 HydrophobicContact CB-CD1 4.4Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.56Å; I237-L239 HydrophobicContact CG2-CD1 4.05Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.46Å; L239-A269 HydrophobicContact CB-CB 4.12Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; L239-H284 WeakPolarHBondContact CA-O 3.41Å; L239-M285 HydrophobicContact CD1-CE 4.12Å; L239-M285 HydrophobicContact CD1-CG 4.05Å; L239-M285 HydrophobicContact CD1-SD 4.46Å; L239-M285 HydrophobicContact CD2-CE 4.26Å; L239-M285 HydrophobicContact CG-CE 3.99Å
240	T	97.4	Very high	96	Very high	41 Å²	41	56.7 Å²	56.7	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.4	175.5	57.6	0	0	0	0	111.2	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.16Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 2.88Å
241	W	98.2	Very high	95.6	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.8	168.4	-82.7	105	0	0	0	109.9	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.91Å; V213-W241 HydrophobicContact CG1-CZ2 4.37Å; V213-W241 HydrophobicContact CG2-CH2 4.44Å; L225-W241 HydrophobicContact CB-CH2 3.71Å; L225-W241 HydrophobicContact CB-CZ2 3.82Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.11Å; L225-W241 HydrophobicContact CD1-CZ3 4.25Å; C227-W241 HydrophobicContact CB-CH2 4.41Å; C227-W241 HydrophobicContact CB-CZ2 3.61Å; W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.1Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.54Å; W241-V271 HydrophobicContact CB-CB 4.49Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; W241-T282 WeakPolarHBondContact CA-O 3.33Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å
242	Q	97.9	Very high	95.5	Very high	40 Å²	40	59.8 Å²	59.8	19%	0.187	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	172.2	-69.5	-171.6	-2	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.49Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-T282 PolarHBondContact O-OG1 3.36Å; Q242-H284 PolarHBondContact OE1-NE2 3.28Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å
243	R	97.4	Very high	95.5	Very high	80 Å²	80	65.2 Å²	65.2	30%	0.302	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117.1	168.3	-168.7	-177.4	94.1	-177.7	-0.9	109	G245 E246 Q248 R280 Y281	R243-G245 PolarHBondContact O-N 3.18Å; R243-G245 VanDerWaalsContact O-N 3.08Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 3Å; R243-Q248 HydrophobicContact CB-CG 4Å; R243-R280 WeakPolarHBondContact CA-O 3.05Å; R243-R280 HydrophobicContact CG-CB 4.27Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 VanDerWaalsContact CD-OH 3.25Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.28Å; R243-Y281 HydrophobicContact CG-CE1 4Å; R243-Y281 HydrophobicContact CG-CE2 3.92Å; R243-Y281 HydrophobicContact CG-CG 4.49Å
244	D	95.3	Very high	95.6	Very high	97 Å²	97	69 Å²	69	52%	0.519	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	31.6	-175.2	-46.1	-61.5	0	0	0	113.9	R280	D244-R280 PolarHBondContact N-O 3.31Å; D244-R280 WeakPolarHBondContact OD1-CB 3.44Å; D244-R280 IonicContact OD1-CZ 3.35Å; D244-R280 IonicContact OD1-NE 3.12Å; D244-R280 PolarHBondContact OD1-NE 2.98Å; D244-R280 IonicContact OD1-NH2 2.75Å; D244-R280 IonicContact OD2-CZ 3.27Å; D244-R280 IonicContact OD2-NE 2.9Å; D244-R280 PolarHBondContact OD2-NE 3.07Å; D244-R280 IonicContact OD2-NH2 3.95Å; D244-R280 PolarHBondContact OD2-NH2 3.25Å
245	G	91.9	Very high	95.7	Very high	51 Å²	51	69.7 Å²	69.7	53%	0.526	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-0.1	-177.4	0	0	0	0	0	115.8	R243	R243-G245 PolarHBondContact O-N 3.18Å; R243-G245 VanDerWaalsContact O-N 3.08Å
246	E	96	Very high	95.7	Very high	136 Å²	136	76.6 Å²	76.6	64%	0.636	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.1	176	-64	-175.6	168.4	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.44Å; R243-E246 PolarHBondContact N-O 2.82Å; R243-E246 PolarHBondContact O-N 3Å; E246-Q248 PolarHBondContact O-NE2 2.83Å
247	D	95.8	Very high	95.8	Very high	95 Å²	95	71.7 Å²	71.7	51%	0.508	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	133.9	179.2	-70.4	-25.8	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.49Å; Q242-D247 PolarHBondContact NE2-OD1 2.77Å
248	Q	95.9	Very high	95.9	Very high	23 Å²	23	75.9 Å²	75.9	11%	0.107	39%	0.394	C	S	.	.			trans	-105.1	37	-178	-57.2	-60.6	-70.3	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.26Å; W241-Q248 PolarHBondContact O-N 3.1Å; R243-Q248 HydrophobicContact CB-CG 4Å; E246-Q248 PolarHBondContact O-NE2 2.83Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.82Å; Q248-D251 PolarHBondContact O-N 2.85Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.27Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å
249	T	91.2	Very high	95.9	Very high	104 Å²	104	77.5 Å²	77.5	64%	0.638	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-37.3	-169.6	-47.2	0	0	0	0	113.9
250	Q	91.4	Very high	95.9	Very high	190 Å²	190	79.6 Å²	79.6	89%	0.888	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-31	-178.5	-65.9	-174.9	6.9	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.82Å
251	D	90.1	Very high	95.7	Very high	114 Å²	114	81.3 Å²	81.3	61%	0.61	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.8	-177.7	-58	-49.7	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.85Å
252	T	96.3	Very high	95.5	Very high	24 Å²	24	86.7 Å²	86.7	15%	0.147	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121	180	-63.9	0	0	0	0	110.6	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.27Å; Q248-T252 PolarHBondContact O-OG1 2.87Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.01Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å
253	E	97.4	Very high	95.2	Very high	114 Å²	114	86.8 Å²	86.8	53%	0.533	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	104.9	162.9	-174.1	-174.1	-171	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; E253-A269 CarbonylContact O-C 3.47Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.3Å; E253-A270 PolarHBondContact O-N 3.47Å
254	L	97.3	Very high	95.2	Very high	84 Å²	84	83.4 Å²	83.4	44%	0.44	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.8	176.6	-174.3	67.5	0	0	0	109.6	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.4Å; T252-L254 PolarHBondContact O-N 3.01Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
255	V	97.3	Very high	95.3	Very high	31 Å²	31	80 Å²	80	19%	0.188	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-86.1	153.6	175.2	-62.6	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.47Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.28Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.92Å; V255-W268 HydrophobicContact CG1-CE3 4.19Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 3.15Å
256	E	97.1	Very high	95.6	Very high	160 Å²	160	79.7 Å²	79.7	75%	0.748	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-57.9	146.9	168.5	-67.1	-56	154	0	0	111.8	R258	E256-R258 PolarHBondContact O-N 3.2Å
257	T	98	Very high	95.8	Very high	44 Å²	44	74 Å²	74	27%	0.27	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-66.5	130.5	174.2	-57	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.13Å; F232-T257 HydrophobicContact CZ-CG2 3.94Å; A235-T257 HydrophobicContact CB-CG2 4.25Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.24Å; T257-K267 PolarHBondContact OG1-NZ 2.94Å
258	R	97.6	Very high	95.9	Very high	97 Å²	97	70.7 Å²	70.7	37%	0.366	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.5	-175	68.2	-170.7	-175.9	-160.6	-1.7	111.8	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.2Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; R258-Q266 HydrophobicContact CG-CG 3.54Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.23Å; R258-Q266 PolarHBondContact O-N 3.2Å
259	P	97.4	Very high	96	Very high	95 Å²	95	69.6 Å²	69.6	62%	0.617	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	144	178.7	28.5	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.31Å
260	A	96.8	Very high	96.3	Very high	50 Å²	50	64.7 Å²	64.7	41%	0.413	36%	0.363	S	S	.	.			trans	-87.1	-17	173.1	0	0	0	0	0	112.9	T264	A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 2.96Å
261	G	93.7	Very high	96.6	Very high	77 Å²	77	55.8 Å²	55.8	79%	0.794	32%	0.321	S	S	*	.	S	Bend	trans	96.1	-6.7	178.9	0	0	0	0	0	114.9
262	D	93.4	Very high	97	Very high	115 Å²	115	53.8 Å²	53.8	62%	0.615	31%	0.313	S	S	*	.	S	Bend	trans	-105.6	10.4	176.4	60.9	1.3	0	0	0	113.2	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
263	G	92.1	Very high	97	Very high	42 Å²	42	52.7 Å²	52.7	43%	0.433	31%	0.306	S	S	.	.	S	Bend	trans	90.9	0.6	-174.3	0	0	0	0	0	114.3	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.13Å
264	T	96.9	Very high	97	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.049	29%	0.294	C	S	.	.			trans	-105.9	173.4	173.1	72.8	0	0	0	0	112.3	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.42Å; F232-T264 CarbonylContact O-C 3.56Å; F232-T264 WeakPolarHBondContact O-CA 3.34Å; A260-T264 WeakPolarHBondContact CB-O 3.39Å; A260-T264 PolarHBondContact N-O 2.96Å; D262-T264 WeakPolarHBondContact OD1-CB 3.41Å; D262-T264 PolarHBondContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.26Å
265	F	98.3	Very high	96.8	Very high	27 Å²	27	47.9 Å²	47.9	12%	0.118	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163.6	-177.3	-63.7	-86	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.78Å; D54-F265 HydrophobicContact CB-CZ 3.69Å; G231-F265 PolarHBondContact N-O 2.81Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.96Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.43Å; F232-F265 HydrophobicContact CE2-CB 3.5Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.66Å; F232-F265 PolarHBondContact N-O 2.82Å; F232-F265 PolarHBondContact O-N 2.92Å; Y233-F265 HydrophobicContact CD2-CD2 4.45Å; Y233-F265 AromaticContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CD2-CE2 3.99Å; Y233-F265 HydrophobicContact CE2-CE2 4.47Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.71Å; A235-F265 HydrophobicContact CB-CE1 3.72Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.76Å; A235-F265 HydrophobicContact CB-CZ 3.72Å; T257-F265 HydrophobicContact CG2-CB 3.8Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.45Å; P259-F265 HydrophobicContact CB-CE1 4.31Å
266	Q	98.3	Very high	96.5	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	145.9	173.6	47.3	170.9	-27.5	0	0	110.1	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.53Å; A229-Q266 VanDerWaalsContact O-CA 3.25Å; A229-Q266 WeakPolarHBondContact O-CA 3.24Å; L230-Q266 HydrophobicContact CD2-CB 3.59Å; R258-Q266 HydrophobicContact CG-CG 3.54Å; R258-Q266 PolarHBondContact N-O 3.1Å; R258-Q266 WeakPolarHBondContact O-CG 3.23Å; R258-Q266 PolarHBondContact O-N 3.2Å
267	K	98.6	Very high	96.4	Very high	16 Å²	16	45 Å²	45	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.1	176.7	-161.1	-176.3	-172.4	69.4	0	108.9	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.36Å; A229-K267 PolarHBondContact O-N 3.18Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.61Å; L239-K267 HydrophobicContact CD1-CD 4.26Å; L239-K267 HydrophobicContact CD2-CB 4.46Å; L254-K267 HydrophobicContact CD1-CD 4.44Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 VanDerWaalsContact O-CE 3.28Å; V255-K267 WeakPolarHBondContact O-CE 3.47Å; V255-K267 WeakPolarHBondContact O-CG 3.45Å; V255-K267 PolarHBondContact O-NZ 3.28Å; T257-K267 WeakPolarHBondContact OG1-CD 3.24Å; T257-K267 PolarHBondContact OG1-NZ 2.94Å
268	W	98.3	Very high	96.2	Very high	25 Å²	25	43.7 Å²	43.7	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.7	169.5	58.7	-98.9	0	0	0	111.4	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.01Å; R226-W268 HydrophobicContact CG-CD2 4.08Å; R226-W268 HydrophobicContact CG-CE3 3.86Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.56Å; C227-W268 WeakPolarHBondContact O-CA 3.4Å; C227-W268 WeakPolarHBondContact O-CB 3.4Å; W228-W268 HydrophobicContact CD2-CB 4Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.91Å; W228-W268 AromaticContact CE3-CD1 3.84Å; W228-W268 HydrophobicContact CE3-CG 4.17Å; W228-W268 HydrophobicContact CG-CB 4.41Å; W228-W268 AromaticContact CH2-CD1 3.72Å; W228-W268 HydrophobicContact CH2-CG 4.34Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.39Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.43Å; V255-W268 HydrophobicContact CB-CD2 4.48Å; V255-W268 HydrophobicContact CB-CZ2 4.4Å; V255-W268 HydrophobicContact CG1-CD2 3.92Å; V255-W268 HydrophobicContact CG1-CE3 4.19Å; V255-W268 HydrophobicContact CG1-CH2 3.52Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.75Å; V255-W268 HydrophobicContact CG2-CZ2 4.41Å; V255-W268 WeakPolarHBondContact CG2-O 3.2Å; V255-W268 PolarHBondContact N-O 3.15Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
269	A	98.3	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.7	173.5	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.36Å; C227-A269 PolarHBondContact N-O 2.8Å; C227-A269 PolarHBondContact O-N 3.19Å; L239-A269 HydrophobicContact CB-CB 4.12Å; L239-A269 HydrophobicContact CD2-CB 4.28Å; W241-A269 VanDerWaalsContact NE1-C 3.34Å; W241-A269 PolarHBondContact NE1-O 2.54Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.47Å; E253-A269 WeakPolarHBondContact O-CA 3.31Å; L254-A269 HydrophobicContact CD1-CB 3.68Å
270	A	98.1	Very high	96	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145	179.2	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.88Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.39Å; R226-A270 HydrophobicContact CB-CB 3.98Å; R226-A270 HydrophobicContact CG-CB 4.11Å; T252-A270 CarbonylContact C-O 3.56Å; T252-A270 WeakPolarHBondContact CA-O 3.46Å; E253-A270 HydrophobicContact CB-CB 4.4Å; E253-A270 PolarHBondContact N-O 3.3Å; E253-A270 PolarHBondContact O-N 3.47Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.6Å
271	V	98.1	Very high	96.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	141.5	176.4	63.1	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.44Å; L225-V271 HydrophobicContact CB-CG1 4.25Å; L225-V271 PolarHBondContact N-O 3.38Å; L225-V271 PolarHBondContact O-N 2.67Å; W241-V271 HydrophobicContact CB-CB 4.49Å; W241-V271 HydrophobicContact CB-CG1 4.35Å; W241-V271 HydrophobicContact CD2-CB 4.46Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 4Å; W241-V271 HydrophobicContact CG-CB 4.12Å; W241-V271 HydrophobicContact CG-CG1 3.76Å; W241-V271 HydrophobicContact CZ2-CG1 4.34Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.32Å; V271-Y281 HydrophobicContact CG2-CE1 4Å
272	V	97.8	Very high	96.3	Very high	71 Å²	71	40.4 Å²	40.4	43%	0.43	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	127.5	171.4	-179.4	0	0	0	0	108.2	L218 E222 A223	L218-V272 HydrophobicContact CD1-CG1 4.22Å; L218-V272 HydrophobicContact CD1-CG2 4.25Å; E222-V272 HydrophobicContact CB-CG1 4.13Å; E222-V272 HydrophobicContact CG-CG1 4.37Å; A223-V272 WeakPolarHBondContact O-CA 3.4Å
273	V	96.9	Very high	96.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	145.1	-175.7	-51.8	0	0	0	0	110.5	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.38Å; A223-V273 PolarHBondContact N-O 3.14Å; A223-V273 PolarHBondContact O-N 2.72Å; L225-V273 HydrophobicContact CD1-CG1 4Å; L225-V273 HydrophobicContact CD1-CG2 4.08Å; L225-V273 HydrophobicContact CG-CG1 4.14Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CG1-CG1 3.78Å; V271-V273 HydrophobicContact CG2-CG1 4.42Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å
274	P	96.6	Very high	96.7	Very high	44 Å²	44	34.9 Å²	34.9	29%	0.286	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	139	170.2	-19.6	32	0	0	0	111.1	H221 G276 Q277	H221-P274 CarbonylContact O-C 3.56Å; H221-P274 WeakPolarHBondContact O-CA 3.18Å; P274-G276 PolarHBondContact O-N 3.44Å; P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.16Å; P274-Q277 WeakPolarHBondContact O-CB 3.24Å; P274-Q277 PolarHBondContact O-N 3.34Å
275	S	92.6	Very high	96.7	Very high	53 Å²	53	34.5 Å²	34.5	37%	0.371	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	132.3	176.8	-61.9	0	0	0	0	111.3	H221 E222 Q277 E278	H221-S275 PolarHBondContact O-N 3.04Å; H221-S275 PolarHBondContact O-OG 2.86Å; E222-S275 PolarHBondContact N-OG 2.9Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å
276	G	91.4	Very high	96.7	Very high	69 Å²	69	37.4 Å²	37.4	71%	0.711	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	-2.8	-176.3	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.44Å; G276-E278 WeakPolarHBondContact CA-OE2 3.46Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.18Å
277	Q	95.2	Very high	96.5	Very high	61 Å²	61	35.5 Å²	35.5	29%	0.285	20%	0.195	S	C	.	.			trans	-105.7	6.2	175.2	-60.2	-167.6	41.5	0	0	113.2	P274 S275 Q279 R280 Y281	P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.16Å; P274-Q277 WeakPolarHBondContact O-CB 3.24Å; P274-Q277 PolarHBondContact O-N 3.34Å; S275-Q277 VanDerWaalsContact C-N 3.32Å; Q277-Q279 PolarHBondContact O-N 3.2Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q277-R280 WeakPolarHBondContact O-CB 3.24Å; Q277-R280 PolarHBondContact O-N 3.29Å; Q277-Y281 HydrophobicContact CB-CE2 4.45Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.45Å
278	E	94.8	Very high	96.2	Very high	18 Å²	18	38.1 Å²	38.1	8%	0.084	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-56.9	-35.6	-172.9	-58.4	80.3	-177	0	0	112.3	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.47Å; L225-E278 HydrophobicContact CD2-CG 4.3Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.42Å; G276-E278 WeakPolarHBondContact CA-OE2 3.46Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 3.01Å; G276-E278 PolarHBondContact N-OE2 3.18Å; E278-R280 PolarHBondContact O-N 2.75Å; E278-Y281 PolarHBondContact O-N 3.2Å; E278-Y281 VanDerWaalsContact O-N 3.11Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.37Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	94.6	Very high	95.9	Very high	111 Å²	111	38 Å²	38	52%	0.519	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-69.9	-15.7	-179.9	-62.1	-57.4	-44.9	0	0	114.1	Q277 Y281 W298	Q277-Q279 PolarHBondContact O-N 3.2Å; Q277-Q279 VanDerWaalsContact O-N 3.13Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 3.46Å
280	R	96.5	Very high	95.8	Very high	103 Å²	103	38.9 Å²	38.9	39%	0.389	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-78.9	-14.4	173.8	-62.8	175.4	68.2	-179.4	9.5	112.2	R243 D244 Q277 E278	R243-R280 WeakPolarHBondContact CA-O 3.05Å; R243-R280 HydrophobicContact CG-CB 4.27Å; D244-R280 PolarHBondContact N-O 3.31Å; D244-R280 WeakPolarHBondContact OD1-CB 3.44Å; D244-R280 IonicContact OD1-CZ 3.35Å; D244-R280 IonicContact OD1-NE 3.12Å; D244-R280 PolarHBondContact OD1-NE 2.98Å; D244-R280 IonicContact OD1-NH2 2.75Å; D244-R280 IonicContact OD2-CZ 3.27Å; D244-R280 IonicContact OD2-NE 2.9Å; D244-R280 PolarHBondContact OD2-NE 3.07Å; D244-R280 IonicContact OD2-NH2 3.95Å; D244-R280 PolarHBondContact OD2-NH2 3.25Å; Q277-R280 WeakPolarHBondContact O-CB 3.24Å; Q277-R280 PolarHBondContact O-N 3.29Å; E278-R280 PolarHBondContact O-N 2.75Å
281	Y	97.5	Very high	95.4	Very high	8 Å²	8	48.4 Å²	48.4	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.6	-178.3	-69.4	-100.4	0	0	0	110.5	Q242 R243 Q248 V271 V273 Q277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.28Å; Q242-Y281 WeakPolarHBondContact O-CA 3.38Å; R243-Y281 HydrophobicContact CB-CD1 4.12Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 VanDerWaalsContact CD-OH 3.25Å; R243-Y281 WeakPolarHBondContact CD-OH 3.37Å; R243-Y281 HydrophobicContact CG-CD1 4.34Å; R243-Y281 HydrophobicContact CG-CD2 4.28Å; R243-Y281 HydrophobicContact CG-CE1 4Å; R243-Y281 HydrophobicContact CG-CE2 3.92Å; R243-Y281 HydrophobicContact CG-CG 4.49Å; Q248-Y281 HydrophobicContact CG-CE1 4.33Å; V271-Y281 HydrophobicContact CG1-CD1 3.99Å; V271-Y281 HydrophobicContact CG1-CE1 4.43Å; V271-Y281 HydrophobicContact CG2-CD1 4.32Å; V271-Y281 HydrophobicContact CG2-CE1 4Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.71Å; V273-Y281 HydrophobicContact CG1-CD1 3.68Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.66Å; V273-Y281 HydrophobicContact CG1-CE2 3.58Å; V273-Y281 HydrophobicContact CG1-CG 3.62Å; Q277-Y281 HydrophobicContact CB-CE2 4.45Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.45Å; E278-Y281 PolarHBondContact O-N 3.2Å; E278-Y281 VanDerWaalsContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.8	Very high	95.2	Very high	27 Å²	27	55.6 Å²	55.6	17%	0.166	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.6	179.8	43.8	0	0	0	0	109.5	W241 Q242 H284 T295 L296 S297	W241-T282 WeakPolarHBondContact CA-O 3.33Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.85Å; Q242-T282 PolarHBondContact O-N 3.2Å; Q242-T282 PolarHBondContact O-OG1 3.36Å; T282-H284 PolarHBondContact OG1-NE2 2.88Å; T282-T295 HydrophobicContact CG2-CG2 3.98Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; T282-S297 WeakPolarHBondContact CG2-OG 3.43Å
283	C	98	Very high	95	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	173.3	173.4	0	0	0	0	108.8	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.53Å; C227-C283 WeakPolarHBondContact CB-SG 3.22Å; C227-C283 WeakPolarHBondContact SG-CB 3.47Å; C227-C283 CovalentContact SG-SG 2.04Å; C227-C283 PolarHBondContact SG-SG 3.14Å; T240-C283 CarbonylContact O-C 3.58Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; W241-C283 HydrophobicContact CD2-CB 4.16Å; W241-C283 HydrophobicContact CE3-CB 4.07Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.09Å; W241-C283 HydrophobicContact CZ3-CB 3.98Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.24Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.27Å; C283-L296 PolarHBondContact O-N 3.03Å
284	H	97.4	Very high	94.9	Very high	42 Å²	42	58.4 Å²	58.4	19%	0.194	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	134.3	175.2	-67.9	-99.2	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.41Å; T240-H284 PolarHBondContact N-O 3.01Å; T240-H284 PolarHBondContact O-N 2.88Å; Q242-H284 PolarHBondContact OE1-NE2 3.28Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.1Å; T282-H284 PolarHBondContact OG1-NE2 2.88Å; H284-L294 CarbonylContact C-O 3.5Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; H284-T295 PolarHBondContact CE1-OG1 2.77Å; H284-T295 PolarHBondContact ND1-OG1 2.77Å
285	M	96.7	Very high	95	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.6	-175.5	-172.9	176.3	-57.5	0	0	111.6	P209 T211 A229 I237 T238 L239 L290 P293 L294 L296	P209-M285 HydrophobicContact CB-SD 3.88Å; P209-M285 HydrophobicContact CG-CG 4.47Å; P209-M285 HydrophobicContact CG-SD 3.38Å; P209-M285 WeakPolarHBondContact CG-SD 3.5Å; T211-M285 HydrophobicContact CG2-CE 3.5Å; T211-M285 HydrophobicContact CG2-SD 3.35Å; T211-M285 WeakPolarHBondContact CG2-SD 3.42Å; A229-M285 HydrophobicContact CB-CE 3.69Å; A229-M285 HydrophobicContact CB-SD 3.92Å; I237-M285 HydrophobicContact CD1-CG 4.15Å; I237-M285 HydrophobicContact CD1-SD 4.04Å; I237-M285 HydrophobicContact CG1-CG 4.38Å; T238-M285 VanDerWaalsContact O-CA 3.31Å; T238-M285 WeakPolarHBondContact O-CA 3.34Å; L239-M285 HydrophobicContact CD1-CE 4.12Å; L239-M285 HydrophobicContact CD1-CG 4.05Å; L239-M285 HydrophobicContact CD1-SD 4.46Å; L239-M285 HydrophobicContact CD2-CE 4.26Å; L239-M285 HydrophobicContact CG-CE 3.99Å; M285-L290 HydrophobicContact CG-CD1 4.37Å; M285-P293 CarbonylContact O-C 3.58Å; M285-P293 VanDerWaalsContact O-CA 3.32Å; M285-P293 WeakPolarHBondContact O-CA 3.42Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.02Å; M285-L294 PolarHBondContact O-N 2.89Å; M285-L296 HydrophobicContact CE-CD1 4.27Å
286	Q	96.5	Very high	95.1	Very high	87 Å²	87	59.2 Å²	59.2	41%	0.407	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.8	175.7	-57.7	-179.7	11.8	0	0	109.4	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.46Å; T238-Q286 PolarHBondContact N-O 2.85Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287	H	95.4	Very high	95.3	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.019	30%	0.296	C	S	.	.			trans	-161.1	136.1	-177.3	-178.8	-99	0	0	0	111.5	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.36Å; E207-H287 PolarHBondContact O-CE1 3.36Å; P209-H287 HydrophobicContact CG-CB 4.28Å; F232-H287 AromaticContact CD2-CD2 3.79Å; F232-H287 AromaticContact CD2-NE2 3.65Å; Y233-H287 PolarHBondContact O-CE1 3.29Å; P234-H287 PolarHBondContact O-NE2 3.48Å; E236-H287 PolarHBondContact O-CD2 3.01Å; I237-H287 HydrophobicContact CD1-CB 4.15Å; I237-H287 HydrophobicContact CG1-CB 3.98Å; H287-G289 PolarHBondContact CE1-N 3.05Å; H287-G289 PolarHBondContact ND1-N 2.82Å; H287-G289 PolarHBondContact O-N 3.08Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.36Å; H287-L290 PolarHBondContact O-N 3.26Å
288	E	92.3	Very high	95.2	Very high	71 Å²	71	57.6 Å²	57.6	33%	0.332	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-5.9	-58	157.1	173.9	-130.2	-147.5	0	0	118.7	W23 C25 A206 P234 L290	W23-E288 HydrophobicContact CD2-CB 4.18Å; W23-E288 HydrophobicContact CE3-CB 3.53Å; W23-E288 HydrophobicContact CE3-CG 3.98Å; W23-E288 HydrophobicContact CH2-CB 4.04Å; W23-E288 HydrophobicContact CZ3-CB 3.52Å; W23-E288 HydrophobicContact CZ3-CG 4.15Å; W23-E288 WeakPolarHBondContact CZ3-O 3.44Å; C25-E288 PolarHBondContact SG-OE1 3.04Å; A206-E288 HydrophobicContact CB-CG 3.99Å; P234-E288 WeakPolarHBondContact CG-OE2 3.28Å; E288-L290 VanDerWaalsContact C-N 3.34Å
289	G	92.7	Very high	94.9	Very high	23 Å²	23	64.7 Å²	64.7	24%	0.237	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.9	-170.7	0	0	0	0	0	114.2	H287	H287-G289 PolarHBondContact CE1-N 3.05Å; H287-G289 PolarHBondContact ND1-N 2.82Å; H287-G289 PolarHBondContact O-N 3.08Å
290	L	94.3	Very high	94.2	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.099	32%	0.323	C	S	.	.			trans	-92.8	133.1	-175.9	-63.2	173.8	0	0	0	110.9	W23 P208 P209 M285 H287 E288 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.25Å; W23-L290 VanDerWaalsContact CZ3-O 3.31Å; W23-L290 WeakPolarHBondContact CZ3-O 3.44Å; P208-L290 HydrophobicContact CB-CD2 3.9Å; P209-L290 HydrophobicContact CG-CD1 4.17Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.41Å; M285-L290 HydrophobicContact CG-CD1 4.37Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.36Å; H287-L290 PolarHBondContact O-N 3.26Å; E288-L290 VanDerWaalsContact C-N 3.34Å; L290-E292 VanDerWaalsContact C-N 3.31Å; L290-L294 HydrophobicContact CD1-CB 4.49Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.55Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.41Å
291	Q	91.5	Very high	92.6	Very high	202 Å²	202	63.1 Å²	63.1	94%	0.944	34%	0.339	S	S	*	.	S	Bend	trans	-67.6	-35.7	174.8	-68.1	-177.9	-8.2	0	0	112
292	E	92.6	Very high	90.2	Very high	153 Å²	153	68.1 Å²	68.1	72%	0.715	38%	0.375	S	S	*	.	S	Bend	trans	-140.6	152.2	176.7	-65.3	-176.8	176.6	0	0	109	L290 L294	L290-E292 VanDerWaalsContact C-N 3.31Å; E292-L294 PolarHBondContact O-N 3.09Å
293	P	94.4	Very high	87.6	Confident	72 Å²	72	74.5 Å²	74.5	47%	0.468	40%	0.403	S	S	.	.			trans	-52.5	135.3	172.4	-27.1	35.9	0	0	0	112	M285 Q286	M285-P293 CarbonylContact O-C 3.58Å; M285-P293 VanDerWaalsContact O-CA 3.32Å; M285-P293 WeakPolarHBondContact O-CA 3.42Å; Q286-P293 HydrophobicContact CG-CB 4.04Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294	L	95.2	Very high	85	Confident	60 Å²	60	79.6 Å²	79.6	31%	0.314	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	142.3	177	-67.7	177.5	0	0	0	110.6	T211 H284 M285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.26Å; H284-L294 CarbonylContact C-O 3.5Å; H284-L294 WeakPolarHBondContact CA-O 3.47Å; M285-L294 HydrophobicContact CB-CB 4.34Å; M285-L294 PolarHBondContact N-O 3.02Å; M285-L294 PolarHBondContact O-N 2.89Å; L290-L294 HydrophobicContact CD1-CB 4.49Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.9Å; L290-L294 HydrophobicContact CD2-CD1 3.55Å; L290-L294 HydrophobicContact CD2-CG 3.93Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; E292-L294 PolarHBondContact O-N 3.09Å
295	T	96.8	Very high	82.8	Confident	79 Å²	79	83.9 Å²	83.9	49%	0.485	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.4	170	-55.3	0	0	0	0	108.3	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.98Å; C283-T295 CarbonylContact O-C 3.6Å; C283-T295 WeakPolarHBondContact O-CA 3.24Å; H284-T295 PolarHBondContact CE1-OG1 2.77Å; H284-T295 PolarHBondContact ND1-OG1 2.77Å
296	L	96.1	Very high	80.7	Confident	35 Å²	35	88.9 Å²	88.9	18%	0.183	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.4	-173.3	-61.3	161.4	0	0	0	110.1	T211 V213 T282 C283 M285	T211-L296 VanDerWaalsContact CB-CD1 3.5Å; T211-L296 HydrophobicContact CG2-CD1 4.06Å; V213-L296 HydrophobicContact CG2-CB 3.92Å; T282-L296 CarbonylContact C-O 3.59Å; T282-L296 WeakPolarHBondContact CA-O 3.37Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 3.27Å; C283-L296 PolarHBondContact O-N 3.03Å; M285-L296 HydrophobicContact CE-CD1 4.27Å
297	S	94.4	Very high	78.8	Confident	48 Å²	48	88.9 Å²	88.9	34%	0.336	50%	0.499	S	S	.	.			trans	-108.2	160.4	168.9	-63.6	0	0	0	0	109.9	T282 E299	T282-S297 WeakPolarHBondContact CG2-OG 3.43Å; S297-E299 PolarHBondContact O-N 3.19Å
298	W	94.7	Very high	77.1	Confident	47 Å²	47	94.4 Å²	94.4	18%	0.178	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-71	123.1	170	169.7	60.7	0	0	0	110.4	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.18Å; H215-W298 HydrophobicContact CB-CG 4.2Å; H215-W298 HydrophobicContact CB-CZ2 4.07Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.82Å; H215-W298 AromaticContact CG-CZ2 3.86Å; L225-W298 HydrophobicContact CD1-CB 4.36Å; L225-W298 HydrophobicContact CD2-CB 3.83Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.36Å; E278-W298 HydrophobicContact CB-CE3 3.37Å; E278-W298 HydrophobicContact CB-CZ3 3.78Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 3.46Å; W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 4.02Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4Å
299	E	87.5	Confident	75.6	Confident	167 Å²	167	98.9 Å²	98.9	78%	0.78	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-99.9	121.5	169.7	-70.8	-177	174.8	0	0	109.6	S297 S301	S297-E299 PolarHBondContact O-N 3.19Å; E299-S301 PolarHBondContact O-N 3.42Å
300	P	79.8	Confident	74.4	Confident	79 Å²	79	100 Å²	100	51%	0.513	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-59.1	128.9	171.3	-18.3	29	0	0	0	109.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.37Å; W298-P300 HydrophobicContact CH2-CB 4.16Å; W298-P300 HydrophobicContact CH2-CG 3.86Å; W298-P300 HydrophobicContact CZ2-CB 4.02Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4Å; P300-S302 PolarHBondContact O-N 2.82Å
301	S	62.9	Low	73.4	Confident	102 Å²	102	103.5 Å²	103.5	71%	0.713	58%	0.579	S	S	*	*			trans	-57.5	112.3	-179.3	70.6	0	0	0	0	109.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.42Å; S301-Q303 PolarHBondContact O-N 3.46Å
302	S	48.1	Very low	72.6	Confident	113 Å²	113	98.1 Å²	98.1	79%	0.79	56%	0.56	S	S	*	*			trans	-77.1	64.2	167	62.3	0	0	0	0	108.7	P300 P304	P300-S302 PolarHBondContact O-N 2.82Å; S302-P304 WeakPolarHBondContact O-CD 3.37Å
303	Q	43.4	Very low	71.9	Confident	161 Å²	161	93.5 Å²	93.5	75%	0.752	55%	0.548	S	S	*	.			trans	-75.1	109.2	155	-80.5	-168.8	-16.1	0	0	105.3	S301 T305	S301-Q303 PolarHBondContact O-N 3.46Å; Q303-T305 PolarHBondContact O-N 2.87Å
304	P	42.4	Very low	71.3	Confident	107 Å²	107	91.8 Å²	91.8	70%	0.695	54%	0.543	S	S	*	.			trans	-59.4	115.5	165.8	24.9	-30.1	0	0	0	105.4	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.37Å; P304-I306 PolarHBondContact O-N 3.41Å
305	T	50.3	Low	70.8	Confident	133 Å²	133	93.8 Å²	93.8	82%	0.816	55%	0.554	S	S	*	*			trans	-62.5	85.4	161.6	-32.8	0	0	0	0	104.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.87Å; T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.23Å
306	I	54.4	Low	70.2	Confident	104 Å²	104	92.6 Å²	92.6	53%	0.533	55%	0.552	S	S	.	*			trans	-51.7	119.6	167.8	-63.8	172.6	0	0	0	103.2	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.41Å; I306-I308 HydrophobicContact CB-CG1 4.37Å; I306-I308 HydrophobicContact CG2-CG1 4.16Å; I306-I308 WeakPolarHBondContact O-CG1 3.45Å; I306-I308 PolarHBondContact O-N 2.83Å; I306-I311 HydrophobicContact CG2-CD1 3.89Å
307	P	55.2	Low	69.7	Low	88 Å²	88	95 Å²	95	57%	0.571	57%	0.568	S	S	*	*			trans	-75	75	-177.2	30.4	-32.8	0	0	0	106.9	T305 M309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.27Å; T305-P307 WeakPolarHBondContact O-CD 3.23Å; P307-M309 PolarHBondContact O-N 2.86Å; P307-M309 VanDerWaalsContact O-N 3.12Å; P307-G310 WeakPolarHBondContact O-CA 3.16Å; P307-G310 PolarHBondContact O-N 2.64Å; P307-I311 PolarHBondContact O-N 3.44Å; P307-I311 VanDerWaalsContact O-N 3.13Å
308	I	60.4	Low	69.3	Low	120 Å²	120	98.3 Å²	98.3	62%	0.615	58%	0.581	S	S	*	*	H	α-helix	trans	-53.9	-36	-179.4	-64.3	172.9	0	0	0	108.7	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.37Å; I306-I308 HydrophobicContact CG2-CG1 4.16Å; I306-I308 WeakPolarHBondContact O-CG1 3.45Å; I306-I308 PolarHBondContact O-N 2.83Å; I308-G310 PolarHBondContact O-N 3.22Å; I308-I311 PolarHBondContact O-N 3.19Å; I308-V312 HydrophobicContact CG2-CG2 4.42Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.3Å
309	M	59.4	Low	68.9	Low	165 Å²	165	100.5 Å²	100.5	81%	0.813	60%	0.599	S	S	*	*	H	α-helix	trans	-64.9	-36.4	175.3	-165.6	169.3	57.4	0	0	113.7	P307 A313	P307-M309 PolarHBondContact O-N 2.86Å; P307-M309 VanDerWaalsContact O-N 3.12Å; M309-A313 WeakPolarHBondContact O-CB 3.31Å; M309-A313 PolarHBondContact O-N 3.05Å
310	G	67.5	Low	68.7	Low	46 Å²	46	96.6 Å²	96.6	47%	0.474	59%	0.587	S	S	.	*	H	α-helix	trans	-71.3	-37	176.8	0	0	0	0	0	112.8	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.16Å; P307-G310 PolarHBondContact O-N 2.64Å; I308-G310 PolarHBondContact O-N 3.22Å; G310-G314 PolarHBondContact O-N 3.06Å
311	I	74.2	Confident	69	Low	92 Å²	92	97.9 Å²	97.9	47%	0.472	59%	0.589	S	S	.	*	H	α-helix	trans	-68.5	-43.5	176	-62.9	171.2	0	0	0	110.6	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.89Å; P307-I311 PolarHBondContact O-N 3.44Å; P307-I311 VanDerWaalsContact O-N 3.13Å; I308-I311 PolarHBondContact O-N 3.19Å; I311-G314 PolarHBondContact O-N 2.87Å; I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 WeakPolarHBondContact O-CG 3.31Å; I311-L315 PolarHBondContact O-N 3.29Å
312	V	75.9	Confident	70	Confident	90 Å²	90	96.2 Å²	96.2	55%	0.545	58%	0.581	S	S	.	*	H	α-helix	trans	-64.6	-43.9	177.3	172.4	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.42Å; I308-V312 VanDerWaalsContact O-CG2 3.24Å; I308-V312 WeakPolarHBondContact O-CG2 3.49Å; I308-V312 PolarHBondContact O-N 3.3Å; V312-L315 PolarHBondContact O-N 3.21Å; V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 3.06Å
313	A	76.1	Confident	71.7	Confident	56 Å²	56	94.8 Å²	94.8	46%	0.463	57%	0.567	S	S	.	*	H	α-helix	trans	-62.7	-43.5	175.7	0	0	0	0	0	112	M309 A316 V317	M309-A313 WeakPolarHBondContact O-CB 3.31Å; M309-A313 PolarHBondContact O-N 3.05Å; A313-A316 PolarHBondContact O-N 3.2Å; A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 3.45Å; A313-V317 VanDerWaalsContact O-N 3.12Å
314	G	82.1	Confident	73.6	Confident	35 Å²	35	91.9 Å²	91.9	36%	0.361	56%	0.557	S	S	.	*	H	α-helix	trans	-62.5	-42.8	177.2	0	0	0	0	0	113.3	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.06Å; I311-G314 PolarHBondContact O-N 2.87Å; G314-V317 PolarHBondContact O-N 2.99Å; G314-L318 PolarHBondContact O-N 2.94Å; G314-L318 VanDerWaalsContact O-N 3.09Å
315	L	86.1	Confident	75.4	Confident	102 Å²	102	88.4 Å²	88.4	53%	0.534	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-41.1	176.3	-79.3	166.3	0	0	0	112.2	I311 V312 V317 L318 V319	I311-L315 HydrophobicContact CG2-CD1 3.97Å; I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 WeakPolarHBondContact O-CG 3.31Å; I311-L315 PolarHBondContact O-N 3.29Å; V312-L315 PolarHBondContact O-N 3.21Å; L315-V317 VanDerWaalsContact C-N 3.33Å; L315-V317 PolarHBondContact O-N 2.7Å; L315-L318 PolarHBondContact O-N 3.08Å; L315-V319 WeakPolarHBondContact O-CG2 3.37Å; L315-V319 PolarHBondContact O-N 2.97Å
316	A	83.1	Confident	76.8	Confident	55 Å²	55	85 Å²	85	46%	0.455	53%	0.526	S	S	.	.	H	α-helix	trans	-61	-42.9	176.8	0	0	0	0	0	111.7	V312 A313 V319 V320	V312-A316 WeakPolarHBondContact O-CB 3.36Å; V312-A316 PolarHBondContact O-N 3.06Å; A313-A316 PolarHBondContact O-N 3.2Å; A316-V319 PolarHBondContact O-N 3.4Å; A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.4Å
317	V	85.5	Confident	78.1	Confident	86 Å²	86	83.4 Å²	83.4	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-42.9	176.9	172.7	0	0	0	0	111.5	A313 G314 L315 V319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.38Å; A313-V317 PolarHBondContact O-N 3.45Å; A313-V317 VanDerWaalsContact O-N 3.12Å; G314-V317 PolarHBondContact O-N 2.99Å; L315-V317 VanDerWaalsContact C-N 3.33Å; L315-V317 PolarHBondContact O-N 2.7Å; V317-V319 PolarHBondContact O-N 2.91Å; V317-V320 PolarHBondContact O-N 3.47Å; V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.36Å; V317-L321 PolarHBondContact O-N 3.44Å
318	L	85.8	Confident	79.2	Confident	116 Å²	116	82.7 Å²	82.7	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-61.5	-41.8	177.2	-84.9	164.4	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 2.94Å; G314-L318 VanDerWaalsContact O-N 3.09Å; L315-L318 PolarHBondContact O-N 3.08Å; L318-L321 PolarHBondContact O-N 3.07Å; L318-A322 WeakPolarHBondContact O-CB 3.45Å; L318-A322 PolarHBondContact O-N 2.83Å
319	V	85.9	Confident	79.8	Confident	93 Å²	93	81.1 Å²	81.1	56%	0.564	51%	0.511	S	S	*	.	H	α-helix	trans	-63.8	-44.7	176.3	172.4	0	0	0	0	110.8	L315 A316 V317 L321 A322 V323	L315-V319 WeakPolarHBondContact O-CG2 3.37Å; L315-V319 PolarHBondContact O-N 2.97Å; A316-V319 PolarHBondContact O-N 3.4Å; V317-V319 PolarHBondContact O-N 2.91Å; V319-L321 PolarHBondContact O-N 3.04Å; V319-A322 PolarHBondContact O-N 3.3Å; V319-V323 HydrophobicContact CG1-CG2 4.46Å; V319-V323 VanDerWaalsContact O-CG2 3.28Å; V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.33Å
320	V	85.3	Confident	80.5	Confident	85 Å²	85	76 Å²	76	52%	0.515	50%	0.495	S	S	.	.	H	α-helix	trans	-61.2	-44.4	177.5	171.7	0	0	0	0	111.3	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.43Å; A316-V320 PolarHBondContact O-N 3.4Å; V317-V320 PolarHBondContact O-N 3.47Å; V320-A322 PolarHBondContact O-N 2.99Å; V320-V323 PolarHBondContact O-N 2.67Å; V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.28Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 3.27Å
321	L	85.1	Confident	80.6	Confident	107 Å²	107	79.5 Å²	79.5	56%	0.56	50%	0.5	S	S	*	.	H	α-helix	trans	-64	-39.9	177.3	-72.4	172.1	0	0	0	112.3	V317 L318 V319 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.95Å; V317-L321 HydrophobicContact CG1-CG 4.39Å; V317-L321 WeakPolarHBondContact O-CG 3.36Å; V317-L321 PolarHBondContact O-N 3.44Å; L318-L321 PolarHBondContact O-N 3.07Å; V319-L321 PolarHBondContact O-N 3.04Å; L321-L324 PolarHBondContact O-N 2.93Å; L321-G325 PolarHBondContact O-N 3.48Å
322	A	84.2	Confident	80.5	Confident	66 Å²	66	81.4 Å²	81.4	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-42.6	176.5	0	0	0	0	0	111.9	L318 V319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.45Å; L318-A322 PolarHBondContact O-N 2.83Å; V319-A322 PolarHBondContact O-N 3.3Å; V320-A322 PolarHBondContact O-N 2.99Å; A322-G325 PolarHBondContact O-N 3.45Å; A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.23Å
323	V	84.1	Confident	79.9	Confident	83 Å²	83	81 Å²	81	50%	0.503	51%	0.509	S	S	.	.	H	α-helix	trans	-63.9	-46.5	176.6	173.7	0	0	0	0	110.6	V319 V320 G325 A326 V327	V319-V323 HydrophobicContact CG1-CG2 4.46Å; V319-V323 VanDerWaalsContact O-CG2 3.28Å; V319-V323 WeakPolarHBondContact O-CG2 3.49Å; V319-V323 PolarHBondContact O-N 3.33Å; V320-V323 PolarHBondContact O-N 2.67Å; V323-G325 PolarHBondContact O-N 3.17Å; V323-A326 PolarHBondContact O-N 2.89Å; V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.14Å; V323-V327 PolarHBondContact O-N 3.27Å
324	L	81.9	Confident	79.2	Confident	100 Å²	100	88.1 Å²	88.1	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-61.3	-43.2	176.6	-71.8	171.3	0	0	0	111.7	V320 L321 A326 V327 V328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.46Å; V320-L324 WeakPolarHBondContact O-CB 3.28Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 3.27Å; L321-L324 PolarHBondContact O-N 2.93Å; L324-A326 PolarHBondContact O-N 2.88Å; L324-V327 PolarHBondContact O-N 2.71Å; L324-V328 WeakPolarHBondContact O-CG2 3.11Å; L324-V328 PolarHBondContact O-N 3.4Å
325	G	81.8	Confident	78.1	Confident	35 Å²	35	97 Å²	97	36%	0.361	55%	0.546	S	S	.	.	H	α-helix	trans	-60	-43.8	175.5	0	0	0	0	0	112.9	L321 A322 V323 V328 T329	L321-G325 PolarHBondContact O-N 3.48Å; A322-G325 PolarHBondContact O-N 3.45Å; V323-G325 PolarHBondContact O-N 3.17Å; G325-V328 PolarHBondContact O-N 3.41Å; G325-T329 WeakPolarHBondContact O-CB 3.3Å; G325-T329 PolarHBondContact O-N 3.04Å; G325-T329 PolarHBondContact O-OG1 2.72Å
326	A	79.8	Confident	76.5	Confident	61 Å²	61	101.3 Å²	101.3	50%	0.504	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-41.8	176	0	0	0	0	0	112.3	A322 V323 L324 T329 A330	A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.23Å; V323-A326 PolarHBondContact O-N 2.89Å; L324-A326 PolarHBondContact O-N 2.88Å; A326-T329 PolarHBondContact O-N 2.59Å; A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.21Å
327	V	79.9	Confident	75.1	Confident	71 Å²	71	103.4 Å²	103.4	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-45.1	176.9	171.5	0	0	0	0	111.2	V323 L324 T329 A330 M331	V323-V327 VanDerWaalsContact O-CG2 3.3Å; V323-V327 WeakPolarHBondContact O-CG2 3.14Å; V323-V327 PolarHBondContact O-N 3.27Å; L324-V327 PolarHBondContact O-N 2.71Å; V327-T329 VanDerWaalsContact C-N 3.32Å; V327-T329 PolarHBondContact O-N 3.33Å; V327-A330 PolarHBondContact O-N 3.19Å; V327-M331 HydrophobicContact CG1-CE 4.27Å; V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 WeakPolarHBondContact O-CB 3.25Å; V327-M331 WeakPolarHBondContact O-CG 3.22Å; V327-M331 PolarHBondContact O-N 2.7Å
328	V	78.9	Confident	73.4	Confident	73 Å²	73	106.9 Å²	106.9	44%	0.442	60%	0.6	S	S	.	*	H	α-helix	trans	-61.9	-42.8	177.2	171.3	0	0	0	0	110.7	L324 G325 M331 M332	L324-V328 WeakPolarHBondContact O-CG2 3.11Å; L324-V328 PolarHBondContact O-N 3.4Å; G325-V328 PolarHBondContact O-N 3.41Å; V328-M331 PolarHBondContact O-N 3.38Å; V328-M332 HydrophobicContact CG1-CG 4.45Å; V328-M332 HydrophobicContact CG1-SD 4.2Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3.22Å
329	T	73.8	Confident	72.8	Confident	87 Å²	87	106.5 Å²	106.5	53%	0.534	60%	0.6	S	S	.	*	H	α-helix	trans	-65.6	-42.4	178.8	-51.4	0	0	0	0	111.1	G325 A326 V327 M331 M332 C333	G325-T329 WeakPolarHBondContact O-CB 3.3Å; G325-T329 PolarHBondContact O-N 3.04Å; G325-T329 PolarHBondContact O-OG1 2.72Å; A326-T329 PolarHBondContact O-N 2.59Å; V327-T329 VanDerWaalsContact C-N 3.32Å; V327-T329 PolarHBondContact O-N 3.33Å; T329-M331 PolarHBondContact O-N 2.95Å; T329-M332 PolarHBondContact O-N 3.02Å; T329-C333 WeakPolarHBondContact O-CB 3.46Å; T329-C333 PolarHBondContact O-N 2.73Å; T329-C333 PolarHBondContact O-SG 3.05Å; T329-C333 VanDerWaalsContact O-SG 3.35Å
330	A	72.7	Confident	72.1	Confident	57 Å²	57	107.2 Å²	107.2	47%	0.471	60%	0.602	S	S	.	*	H	α-helix	trans	-63.2	-40.2	174.6	0	0	0	0	0	112.5	A326 V327 C333 R334	A326-A330 WeakPolarHBondContact O-CB 3.37Å; A326-A330 PolarHBondContact O-N 3.21Å; V327-A330 PolarHBondContact O-N 3.19Å; A330-C333 PolarHBondContact O-N 2.87Å; A330-R334 PolarHBondContact O-N 2.6Å
331	M	71.4	Confident	71.4	Confident	119 Å²	119	108.4 Å²	108.4	59%	0.586	61%	0.607	S	S	*	*	H	α-helix	trans	-66.8	-41.3	175.4	-73.6	-158	-63.2	0	0	112.1	V327 V328 T329 R334 R335	V327-M331 HydrophobicContact CG1-CE 4.27Å; V327-M331 HydrophobicContact CG1-CG 4.48Å; V327-M331 WeakPolarHBondContact O-CB 3.25Å; V327-M331 WeakPolarHBondContact O-CG 3.22Å; V327-M331 PolarHBondContact O-N 2.7Å; V328-M331 PolarHBondContact O-N 3.38Å; T329-M331 PolarHBondContact O-N 2.95Å; M331-R334 PolarHBondContact O-N 2.75Å; M331-R335 WeakPolarHBondContact O-CB 3.28Å; M331-R335 PolarHBondContact O-N 3.38Å
332	M	71.2	Confident	70.6	Confident	132 Å²	132	108.5 Å²	108.5	65%	0.65	61%	0.61	S	S	*	*	H	α-helix	trans	-65.6	-39.4	175.4	-71.6	-174.6	75.1	0	0	111.9	V328 T329 R335 K336	V328-M332 HydrophobicContact CG1-CG 4.45Å; V328-M332 HydrophobicContact CG1-SD 4.2Å; V328-M332 WeakPolarHBondContact O-CG 3.41Å; V328-M332 PolarHBondContact O-N 3.22Å; T329-M332 PolarHBondContact O-N 3.02Å; M332-R335 PolarHBondContact O-N 2.91Å; M332-K336 PolarHBondContact O-N 3.34Å
333	C	63.9	Low	69.7	Low	83 Å²	83	111.1 Å²	111.1	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-63.6	-40.7	173.3	-74.6	0	0	0	0	112	T329 A330 K336 S337	T329-C333 WeakPolarHBondContact O-CB 3.46Å; T329-C333 PolarHBondContact O-N 2.73Å; T329-C333 PolarHBondContact O-SG 3.05Å; T329-C333 VanDerWaalsContact O-SG 3.35Å; A330-C333 PolarHBondContact O-N 2.87Å; C333-K336 PolarHBondContact O-N 3.16Å; C333-S337 PolarHBondContact O-N 3.4Å; C333-S337 PolarHBondContact O-OG 3.09Å
334	R	60.8	Low	68.8	Low	204 Å²	204	113 Å²	113	77%	0.77	62%	0.621	S	S	*	*	H	α-helix	trans	-67	-32.1	174.4	-82.7	-172.6	169.8	-179.1	-2	113.7	A330 M331 K336 S337	A330-R334 PolarHBondContact O-N 2.6Å; M331-R334 PolarHBondContact O-N 2.75Å; R334-K336 VanDerWaalsContact C-N 3.29Å; R334-S337 PolarHBondContact O-OG 3.15Å
335	R	57.9	Low	67.8	Low	222 Å²	222	113.9 Å²	113.9	84%	0.838	63%	0.628	S	S	*	*	H	α-helix	trans	-76.2	-17.5	178.1	-135.3	179.6	-175	178.9	1	113.3	M331 M332	M331-R335 WeakPolarHBondContact O-CB 3.28Å; M331-R335 PolarHBondContact O-N 3.38Å; M332-R335 PolarHBondContact O-N 2.91Å
336	K	54.5	Low	66.7	Low	193 Å²	193	120 Å²	120	84%	0.839	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	-8.7	178.9	-137.4	175.8	-174.3	-179.5	0	113	M332 C333 R334	M332-K336 PolarHBondContact O-N 3.34Å; C333-K336 PolarHBondContact O-N 3.16Å; R334-K336 VanDerWaalsContact C-N 3.29Å
337	S	52.9	Low	65.7	Low	99 Å²	99	124.9 Å²	124.9	69%	0.692	66%	0.66	S	S	*	*			trans	-113.1	12.9	179.6	49.4	0	0	0	0	114	C333 R334	C333-S337 PolarHBondContact O-N 3.4Å; C333-S337 PolarHBondContact O-OG 3.09Å; R334-S337 PolarHBondContact O-OG 3.15Å
338	S	49.9	Very low	64.4	Low	159 Å²	159	129.8 Å²	129.8	100%	1.112	68%	0.681	S	S	*	*			trans	-119.8	0	166.6	-178.3	0	0	0	0	110.1

Retrieved 338 of 338 residues in 118.2 ms (Link to these results)

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