A0A060VD11_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A060VD11, Species HUMAN (Homo sapiens, Human), Gene HLA-B, Length 362 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	37.4	Very low	43.7	Very low	241 Å²	241	139.5 Å²	139.5	100%	1.187	73%	0.726	S	S	*	*				0	108.8	0	-74.7	171.4	-178.1	0	0	109.2
2	R	32.5	Very low	43.8	Very low	237 Å²	237	138.7 Å²	138.7	89%	0.894	72%	0.722	S	S	*	*			trans	-147	92.4	158	-95.5	-173.8	179.1	167.2	-0.3	105.4	T4	R2-T4 PolarHBondContact O-N 3.19Å
3	V	37.3	Very low	43.8	Very low	147 Å²	147	135.6 Å²	135.6	89%	0.891	71%	0.706	S	S	*	*			trans	-72.5	108.1	170.6	178.3	0	0	0	0	105.5
4	T	43.6	Very low	43.6	Very low	128 Å²	128	130.2 Å²	130.2	79%	0.785	69%	0.686	S	S	*	*			trans	-81.3	112.7	171.2	30.4	0	0	0	0	106.8	R2	R2-T4 PolarHBondContact O-N 3.19Å
5	A	41.8	Very low	43.6	Very low	69 Å²	69	124.7 Å²	124.7	57%	0.57	67%	0.666	S	S	*	*			trans	-62.1	143	172.5	0	0	0	0	0	109.5	R7	A5-R7 PolarHBondContact O-N 3.15Å
6	P	47.4	Very low	43.6	Very low	81 Å²	81	119.9 Å²	119.9	53%	0.526	65%	0.649	S	S	.	*			trans	-62.6	132.5	-179.1	-15.3	28	0	0	0	110.4	T8 V9	P6-T8 PolarHBondContact O-N 2.65Å; P6-V9 HydrophobicContact CB-CG2 4.48Å; P6-V9 HydrophobicContact CG-CG2 4.4Å; P6-V9 PolarHBondContact O-N 3.36Å
7	R	48	Very low	43.4	Very low	222 Å²	222	119.2 Å²	119.2	84%	0.838	64%	0.644	S	S	*	*	H	α-helix	trans	-50.9	-25	179	-95.6	178.4	158	129.8	-6	114.2	A5 L11	A5-R7 PolarHBondContact O-N 3.15Å; R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 2.63Å
8	T	47.8	Very low	43.3	Very low	96 Å²	96	115.4 Å²	115.4	59%	0.589	63%	0.632	S	S	*	*	H	α-helix	trans	-70.9	-36.8	176.8	32.4	0	0	0	0	113.6	P6 L10 L11 L12	P6-T8 PolarHBondContact O-N 2.65Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L11 PolarHBondContact O-N 2.73Å; T8-L12 PolarHBondContact O-N 3.06Å
9	V	49.3	Very low	43.1	Very low	75 Å²	75	113.8 Å²	113.8	46%	0.455	62%	0.622	S	S	.	*	H	α-helix	trans	-69.2	-35.8	176.2	178.8	0	0	0	0	110.4	P6 L11 L13	P6-V9 HydrophobicContact CB-CG2 4.48Å; P6-V9 HydrophobicContact CG-CG2 4.4Å; P6-V9 PolarHBondContact O-N 3.36Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.98Å; V9-L13 VanDerWaalsContact O-N 3.12Å
10	L	45.7	Very low	43	Very low	119 Å²	119	111.9 Å²	111.9	62%	0.623	61%	0.614	S	S	*	*	H	α-helix	trans	-65.7	-37.6	176.5	-143.5	86	0	0	0	112	T8 S14	T8-L10 VanDerWaalsContact C-N 3.32Å; L10-S14 PolarHBondContact O-N 2.99Å; L10-S14 PolarHBondContact O-OG 2.87Å
11	L	49.7	Very low	42.8	Very low	119 Å²	119	114.3 Å²	114.3	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-70.4	-38	179.4	-76.1	166.8	0	0	0	113	R7 T8 V9 S14 A15	R7-L11 WeakPolarHBondContact O-CG 3.33Å; R7-L11 PolarHBondContact O-N 2.63Å; T8-L11 PolarHBondContact O-N 2.73Å; V9-L11 VanDerWaalsContact C-N 3.35Å; L11-S14 VanDerWaalsContact CA-OG 3.32Å; L11-S14 WeakPolarHBondContact CA-OG 3.11Å; L11-S14 PolarHBondContact O-N 3.26Å; L11-S14 PolarHBondContact O-OG 2.79Å; L11-A15 PolarHBondContact O-N 3.44Å
12	L	44.9	Very low	43.2	Very low	130 Å²	130	106.9 Å²	106.9	68%	0.681	59%	0.589	S	S	*	*	H	α-helix	trans	-69.3	-39.5	175.5	-72.6	167.3	0	0	0	111.8	T8 A15 A16	T8-L12 PolarHBondContact O-N 3.06Å; L12-A15 PolarHBondContact O-N 3.36Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.93Å
13	L	44.1	Very low	43.9	Very low	99 Å²	99	97.9 Å²	97.9	52%	0.518	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-38.3	173.1	-79.6	161	0	0	0	112.1	V9 A16 L17	V9-L13 HydrophobicContact CG1-CD1 4.01Å; V9-L13 WeakPolarHBondContact O-CG 3.46Å; V9-L13 PolarHBondContact O-N 2.98Å; V9-L13 VanDerWaalsContact O-N 3.12Å; L13-A16 PolarHBondContact O-N 3.07Å; L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.25Å
14	S	41.3	Very low	44.8	Very low	60 Å²	60	94.4 Å²	94.4	42%	0.42	54%	0.542	S	S	.	.	H	α-helix	trans	-73.1	-27.6	175.1	51.3	0	0	0	0	113.2	L10 L11 A18	L10-S14 PolarHBondContact O-N 2.99Å; L10-S14 PolarHBondContact O-OG 2.87Å; L11-S14 VanDerWaalsContact CA-OG 3.32Å; L11-S14 WeakPolarHBondContact CA-OG 3.11Å; L11-S14 PolarHBondContact O-N 3.26Å; L11-S14 PolarHBondContact O-OG 2.79Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.47Å
15	A	42.9	Very low	46.4	Very low	47 Å²	47	89.8 Å²	89.8	39%	0.388	52%	0.519	S	S	.	.	H	α-helix	trans	-70	-42.8	170.1	0	0	0	0	0	111.6	L11 L12 A18 L19	L11-A15 PolarHBondContact O-N 3.44Å; L12-A15 PolarHBondContact O-N 3.36Å; A15-A18 PolarHBondContact O-N 2.81Å; A15-L19 VanDerWaalsContact O-CD1 3.28Å; A15-L19 WeakPolarHBondContact O-CD1 3.33Å; A15-L19 PolarHBondContact O-N 3.41Å
16	A	44.2	Very low	48.8	Very low	48 Å²	48	88.8 Å²	88.8	40%	0.397	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-39.7	175.4	0	0	0	0	0	112.3	L12 L13 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.93Å; L13-A16 PolarHBondContact O-N 3.07Å; A16-L19 PolarHBondContact O-N 3.48Å; A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 VanDerWaalsContact O-N 3.15Å
17	L	40.5	Very low	51.1	Low	109 Å²	109	86.4 Å²	86.4	57%	0.571	49%	0.49	S	S	*	.	H	α-helix	trans	-68.5	-37.9	174.1	-77.9	161.8	0	0	0	112.3	L13 L19 T20 E21	L13-L17 VanDerWaalsContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 WeakPolarHBondContact O-CD1 3.33Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.25Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.87Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.94Å; L17-E21 PolarHBondContact O-N 2.92Å
18	A	40.1	Very low	53.5	Low	50 Å²	50	77 Å²	77	41%	0.413	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-37.1	173.8	0	0	0	0	0	111.8	S14 A15 T20 E21 T22	S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.47Å; A15-A18 PolarHBondContact O-N 2.81Å; A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 PolarHBondContact O-N 3.02Å; A18-E21 PolarHBondContact O-N 3.06Å; A18-T22 VanDerWaalsContact O-CG2 3.32Å; A18-T22 WeakPolarHBondContact O-CG2 3.49Å; A18-T22 PolarHBondContact O-N 2.79Å; A18-T22 VanDerWaalsContact O-N 3.16Å; A18-T22 PolarHBondContact O-OG1 3.41Å
19	L	40.2	Very low	55.9	Low	86 Å²	86	72.4 Å²	72.4	45%	0.45	43%	0.43	S	S	.	.	H	α-helix	trans	-64.6	-33.5	171.5	-97	110.3	0	0	0	112.5	A15 A16 L17 T22 W23	A15-L19 VanDerWaalsContact O-CD1 3.28Å; A15-L19 WeakPolarHBondContact O-CD1 3.33Å; A15-L19 PolarHBondContact O-N 3.41Å; A16-L19 PolarHBondContact O-N 3.48Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 2.87Å; L19-T22 PolarHBondContact O-OG1 2.93Å; L19-W23 PolarHBondContact O-NE1 3.03Å
20	T	40.8	Very low	58.3	Low	75 Å²	75	71.1 Å²	71.1	46%	0.46	42%	0.417	S	S	.	.	H	α-helix	trans	-74.4	-30.3	176.5	55.4	0	0	0	0	113.6	A16 L17 A18	A16-T20 PolarHBondContact O-N 3.35Å; A16-T20 VanDerWaalsContact O-N 3.15Å; L17-T20 WeakPolarHBondContact CA-OG1 3.49Å; L17-T20 PolarHBondContact O-N 3.35Å; L17-T20 VanDerWaalsContact O-N 3.13Å; L17-T20 PolarHBondContact O-OG1 2.94Å; A18-T20 VanDerWaalsContact C-N 3.32Å; A18-T20 PolarHBondContact O-N 3.02Å
21	E	39.5	Very low	60.8	Low	163 Å²	163	65.9 Å²	65.9	76%	0.762	39%	0.389	S	S	*	.	H	α-helix	trans	-80.2	-25.2	177.8	-84.8	-172.5	158.6	0	0	113.4	L17 A18 W23	L17-E21 PolarHBondContact O-N 2.92Å; A18-E21 PolarHBondContact O-N 3.06Å; E21-W23 PolarHBondContact O-N 3.4Å
22	T	45.3	Very low	63.1	Low	84 Å²	84	64.2 Å²	64.2	52%	0.515	38%	0.377	S	S	.	.	H	α-helix	trans	-77.9	-17.5	-177.5	50.1	0	0	0	0	114.5	A18 L19	A18-T22 VanDerWaalsContact O-CG2 3.32Å; A18-T22 WeakPolarHBondContact O-CG2 3.49Å; A18-T22 PolarHBondContact O-N 2.79Å; A18-T22 VanDerWaalsContact O-N 3.16Å; A18-T22 PolarHBondContact O-OG1 3.41Å; L19-T22 PolarHBondContact O-OG1 2.93Å
23	W	47.2	Very low	65.7	Low	49 Å²	49	58.1 Å²	58.1	19%	0.186	35%	0.345	C	S	.	.	H	α-helix	trans	-86.4	-34.5	-172.2	-74.6	43.9	0	0	0	113.4	L19 E21 G25 E236 E288	L19-W23 PolarHBondContact O-NE1 3.03Å; E21-W23 PolarHBondContact O-N 3.4Å; W23-G25 PolarHBondContact O-N 3.44Å; W23-E236 HydrophobicContact CE3-CG 4.29Å; W23-E236 HydrophobicContact CH2-CB 4.02Å; W23-E236 HydrophobicContact CH2-CG 3.27Å; W23-E236 HydrophobicContact CZ2-CG 3.42Å; W23-E236 VanDerWaalsContact CZ2-CG 3.42Å; W23-E236 HydrophobicContact CZ3-CB 3.97Å; W23-E236 HydrophobicContact CZ3-CG 3.69Å; W23-E236 WeakPolarHBondContact CZ3-O 3.2Å; W23-E288 HydrophobicContact CB-CB 4.23Å; W23-E288 HydrophobicContact CE3-CB 4Å; W23-E288 HydrophobicContact CE3-CG 4.39Å
24	A	56.4	Low	68.3	Low	73 Å²	73	55.1 Å²	55.1	60%	0.603	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	100.1	-176	0	0	0	0	0	111.6
25	G	77.1	Confident	71	Confident	31 Å²	31	52.3 Å²	52.3	32%	0.32	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	12.2	162.7	0	0	0	0	0	116.8	W23 P129	W23-G25 PolarHBondContact O-N 3.44Å; G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å
26	S	91.8	Very high	73.7	Confident	48 Å²	48	53.2 Å²	53.2	34%	0.336	31%	0.308	S	S	.	.			trans	-84.2	143.7	165.3	-58.7	0	0	0	0	109.9	L127	S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.16Å; S26-L127 WeakPolarHBondContact CB-O 3.39Å
27	H	96.5	Very high	76.2	Confident	32 Å²	32	51.7 Å²	51.7	15%	0.148	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	155	-178.8	-68.6	-75.9	0	0	0	111.1	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.19Å; H27-D53 IonicContact CE1-OD2 3.44Å; H27-D53 IonicContact CG-OD2 2.78Å; H27-D53 IonicContact ND1-OD1 3.68Å; H27-D53 IonicContact ND1-OD2 3.95Å; H27-D53 PolarHBondContact ND1-OD2 3.26Å; H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.15Å; H27-L127 PolarHBondContact N-O 3.31Å; H27-L127 PolarHBondContact O-N 3.25Å; H27-L192 HydrophobicContact CB-CD1 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	98	Very high	78.9	Confident	23 Å²	23	50.1 Å²	50.1	16%	0.161	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.1	179.5	66.8	0	0	0	0	112.1	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; S28-D53 PolarHBondContact N-OD1 2.98Å; S28-D53 PolarHBondContact O-N 2.87Å; S28-C125 WeakPolarHBondContact CA-O 3.32Å; S28-D126 WeakPolarHBondContact CB-OD1 3.32Å
29	M	98.7	Very high	81.4	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	122.4	167.4	-175.4	171.4	62.1	0	0	108.2	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; M29-Y51 CarbonylContact C-O 3.6Å; M29-Y51 WeakPolarHBondContact CA-O 3.42Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.29Å; M29-C125 PolarHBondContact N-O 2.84Å; M29-C125 PolarHBondContact O-N 2.6Å; M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 VanDerWaalsContact CE-O 3.27Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.41Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.46Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å
30	R	98.7	Very high	83.9	Confident	48 Å²	48	50.5 Å²	50.5	18%	0.181	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.8	-175.9	-56.5	-63.5	-177.6	75.1	1.3	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; R30-Y51 PolarHBondContact N-O 3.45Å; R30-Y51 PolarHBondContact O-N 3.05Å; R30-D126 IonicContact CZ-OD1 3.43Å; R30-D126 IonicContact NE-OD1 2.79Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.61Å; R30-D126 PolarHBondContact NH2-OD1 3.35Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.16Å; R30-Y137 PolarHBondContact NH2-OH 3.25Å
31	Y	98.8	Very high	86.4	Confident	8 Å²	8	56.8 Å²	56.8	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.6	169.3	-70.9	-88.5	0	0	0	109.8	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.27Å; M29-Y31 HydrophobicContact CG-CE2 4.14Å; M29-Y31 HydrophobicContact SD-CE2 4.08Å; Y31-V49 WeakPolarHBondContact CA-O 3.35Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; Y31-V58 HydrophobicContact CE1-CG2 3.9Å; Y31-M122 WeakPolarHBondContact O-CA 3.47Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.28Å; Y31-Y123 HydrophobicContact CG-CE2 4.32Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.24Å; Y31-Y123 PolarHBondContact O-N 3.42Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32	F	98.9	Very high	88.9	Confident	84 Å²	84	51.9 Å²	51.9	37%	0.368	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.6	178.4	-58.6	-94.4	0	0	0	109	R30 T48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.45Å; R30-F32 HydrophobicContact CB-CE2 3.62Å; R30-F32 HydrophobicContact CB-CZ 3.94Å; F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.34Å; F32-V49 PolarHBondContact O-N 3.02Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.36Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.72Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 3.97Å
33	H	98.8	Very high	91.3	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.3	178.2	-61.3	-178.1	0	0	0	109.1	F46 T48 Y98 Q120 R121 Y123	H33-F46 HydrophobicContact CB-CE2 3.93Å; H33-F46 HydrophobicContact CB-CZ 4.17Å; H33-T48 WeakPolarHBondContact CD2-CB 3.41Å; H33-T48 PolarHBondContact CD2-OG1 2.89Å; H33-T48 PolarHBondContact NE2-OG1 3.32Å; H33-T48 VanDerWaalsContact NE2-OG1 3.09Å; H33-Y98 HydrophobicContact CB-CE1 3.86Å; H33-Y98 AromaticContact ND1-CE2 3.92Å; H33-Y98 AromaticContact ND1-CZ 3.56Å; H33-Y98 PolarHBondContact ND1-OH 2.96Å; H33-Q120 CarbonylContact O-C 3.54Å; H33-Q120 VanDerWaalsContact O-CA 3.23Å; H33-Q120 WeakPolarHBondContact O-CA 3.3Å; H33-R121 HydrophobicContact CB-CB 4.17Å; H33-R121 PolarHBondContact N-O 2.72Å; H33-R121 PolarHBondContact O-N 3.05Å; H33-Y123 AromaticContact CE1-CE1 3.48Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.48Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.33Å; H33-Y123 AromaticContact NE2-CE1 3.55Å
34	T	98.8	Very high	93.6	Very high	37 Å²	37	50.4 Å²	50.4	23%	0.227	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	120.5	175.1	-56.8	0	0	0	0	109.1	M36 F46 I47 T118 Q120	T34-M36 HydrophobicContact CG2-CG 3.97Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; T34-I47 PolarHBondContact N-O 3.48Å; T34-I47 PolarHBondContact O-N 2.87Å; T34-T118 HydrophobicContact CG2-CG2 4Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å
35	A	98.6	Very high	95.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.008	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	127	170.5	0	0	0	0	0	109.8	R45 F46 Y98 L102 T118 W119	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.41Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; A35-Y98 HydrophobicContact CB-CD1 3.89Å; A35-Y98 HydrophobicContact CB-CG 4.22Å; A35-L102 HydrophobicContact CB-CD1 3.97Å; A35-T118 CarbonylContact O-C 3.54Å; A35-T118 WeakPolarHBondContact O-CA 3.28Å; A35-W119 HydrophobicContact CB-CB 4.4Å; A35-W119 PolarHBondContact N-O 3.37Å; A35-W119 PolarHBondContact O-N 3.21Å
36	M	98.4	Very high	96.7	Very high	65 Å²	65	49.2 Å²	49.2	32%	0.32	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	114.6	-178.4	-62.8	169.9	-65.3	0	0	109.1	T34 P44 R45 I47 T118	T34-M36 HydrophobicContact CG2-CG 3.97Å; T34-M36 HydrophobicContact CG2-SD 4.31Å; M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.24Å; M36-R45 HydrophobicContact CE-CB 4.38Å; M36-R45 HydrophobicContact CE-CG 4.44Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 3.5Å; M36-I47 HydrophobicContact CE-CD1 4.2Å; M36-T118 HydrophobicContact CG-CG2 4.09Å
37	S	97.8	Very high	97	Very high	16 Å²	16	48.6 Å²	48.6	11%	0.112	26%	0.263	C	S	.	.			trans	-68.7	150.1	170.4	55.6	0	0	0	0	110.6	S116 H117	S37-S116 PolarHBondContact O-OG 3.15Å; S37-H117 PolarHBondContact N-O 3.4Å; S37-H117 WeakPolarHBondContact OG-CA 3.33Å; S37-H117 PolarHBondContact OG-N 3.49Å; S37-H117 PolarHBondContact OG-O 2.97Å
38	R	95.9	Very high	97.1	Very high	76 Å²	76	47.1 Å²	47.1	29%	0.287	26%	0.256	S	S	.	.			trans	-144.2	72.2	-178.4	51.8	174.2	175.3	-160.1	-10.2	110.5	G40 R41 E43 D63	R38-G40 PolarHBondContact O-N 3.44Å; R38-R41 HydrophobicContact CB-CB 4.16Å; R38-R41 WeakPolarHBondContact CD-O 3.44Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.88Å; R38-R41 PolarHBondContact O-N 3.44Å; R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.49Å; R38-D63 IonicContact CZ-OD1 3.71Å; R38-D63 IonicContact CZ-OD2 3.79Å; R38-D63 IonicContact NH1-OD1 2.95Å; R38-D63 PolarHBondContact NH1-OD1 2.96Å; R38-D63 IonicContact NH1-OD2 3.94Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.67Å; R38-D63 PolarHBondContact NH2-OD1 2.81Å; R38-D63 IonicContact NH2-OD2 3.74Å
39	P	93	Very high	97.1	Very high	55 Å²	55	47.5 Å²	47.5	36%	0.357	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	131.8	-175.3	-27.1	34.8	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.27Å; P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.18Å; P39-E113 WeakPolarHBondContact CG-O 3.32Å; P39-G115 WeakPolarHBondContact CG-O 3.46Å
40	G	92	Very high	97.1	Very high	89 Å²	89	47.5 Å²	47.5	92%	0.918	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	2.1	-177.3	0	0	0	0	0	115.9	R38	R38-G40 PolarHBondContact O-N 3.44Å
41	R	94.1	Very high	97.1	Very high	208 Å²	208	48.7 Å²	48.7	79%	0.785	26%	0.262	S	S	*	.	S	Bend	trans	-124	25.5	179.5	-58.5	-174.2	-178.9	-176.7	0.9	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.16Å; R38-R41 WeakPolarHBondContact CD-O 3.44Å; R38-R41 HydrophobicContact CG-CB 4.24Å; R38-R41 PolarHBondContact NE-O 2.88Å; R38-R41 PolarHBondContact O-N 3.44Å; P39-R41 PolarHBondContact O-N 3.27Å
42	G	92.1	Very high	97.1	Very high	59 Å²	59	48.3 Å²	48.3	61%	0.608	26%	0.261	S	S	*	.	S	Bend	trans	95.4	-165.7	179.7	0	0	0	0	0	113.8
43	E	95.1	Very high	97	Very high	82 Å²	82	45.7 Å²	45.7	38%	0.383	25%	0.251	S	S	.	.	S	Bend	trans	-70.3	155.4	-178	-70.4	-65.4	161.5	0	0	112.4	R38 R45 R99 R103	R38-E43 VanDerWaalsContact CZ-O 3.28Å; R38-E43 PolarHBondContact NE-O 2.92Å; R38-E43 PolarHBondContact NH2-O 3.49Å; E43-R45 PolarHBondContact O-N 3.43Å; E43-R99 VanDerWaalsContact CB-NH2 3.33Å; E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.72Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.49Å; E43-R99 IonicContact OE2-NH1 3.87Å; E43-R99 IonicContact OE2-NH2 2.9Å; E43-R103 IonicContact OE1-NH2 3.57Å; E43-R103 IonicContact OE2-NH2 3.81Å
44	P	97.1	Very high	97	Very high	20 Å²	20	48.5 Å²	48.5	13%	0.13	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-52.5	135.1	175.4	-26.2	34.9	0	0	0	112.3	M36 R99 L102	M36-P44 CarbonylContact O-C 3.52Å; M36-P44 WeakPolarHBondContact O-CA 3.49Å; M36-P44 WeakPolarHBondContact O-CB 3.24Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.15Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.88Å
45	R	98.2	Very high	96.9	Very high	77 Å²	77	47.4 Å²	47.4	29%	0.291	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	131.3	173.9	-176.1	-179.1	-174.8	177.1	-1.3	109	A35 M36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.41Å; M36-R45 HydrophobicContact CE-CB 4.38Å; M36-R45 HydrophobicContact CE-CG 4.44Å; M36-R45 PolarHBondContact N-O 2.91Å; M36-R45 PolarHBondContact O-N 3.5Å; E43-R45 PolarHBondContact O-N 3.43Å; R45-I47 HydrophobicContact CG-CG1 4.28Å; R45-D61 IonicContact CZ-OD1 2.94Å; R45-D61 IonicContact CZ-OD2 3.61Å; R45-D61 IonicContact NE-OD1 3Å; R45-D61 PolarHBondContact NE-OD1 3.18Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 2.91Å; R45-D61 PolarHBondContact NH2-OD1 3.2Å; R45-D61 IonicContact NH2-OD2 2.65Å; R45-D61 PolarHBondContact NH2-OD2 2.66Å; R45-S62 WeakPolarHBondContact CA-OG 3.25Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.19Å
46	F	98.6	Very high	96.9	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	175.7	178.7	-101.7	0	0	0	110.4	H33 T34 A35 T48 F60 S62 N94 T95 Y98	H33-F46 HydrophobicContact CB-CE2 3.93Å; H33-F46 HydrophobicContact CB-CZ 4.17Å; T34-F46 WeakPolarHBondContact O-CA 3.33Å; A35-F46 HydrophobicContact CB-CD2 4.17Å; F46-T48 HydrophobicContact CE1-CG2 3.62Å; F46-T48 HydrophobicContact CZ-CG2 4.11Å; F46-F60 AromaticContact CD1-CD1 3.93Å; F46-F60 HydrophobicContact CD1-CD1 3.93Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; F46-S62 PolarHBondContact N-OG 3.42Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 3.37Å; F46-N94 HydrophobicContact CE1-CB 4.03Å; F46-N94 HydrophobicContact CE2-CB 4.27Å; F46-N94 HydrophobicContact CZ-CB 3.64Å; F46-T95 HydrophobicContact CB-CG2 3.92Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.33Å; F46-Y98 HydrophobicContact CD2-CD1 4.43Å; F46-Y98 HydrophobicContact CD2-CG 4.17Å; F46-Y98 HydrophobicContact CE2-CD1 4.09Å; F46-Y98 AromaticContact CE2-CD2 3.96Å; F46-Y98 HydrophobicContact CE2-CD2 3.96Å; F46-Y98 HydrophobicContact CE2-CE1 4.31Å; F46-Y98 HydrophobicContact CE2-CE2 4.18Å; F46-Y98 AromaticContact CE2-CG 3.9Å; F46-Y98 HydrophobicContact CE2-CG 3.9Å
47	I	98.8	Very high	96.9	Very high	36 Å²	36	46.6 Å²	46.6	19%	0.185	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	133.9	175	-56.4	175	0	0	0	107.7	T34 M36 R45 F60	T34-I47 PolarHBondContact N-O 3.48Å; T34-I47 PolarHBondContact O-N 2.87Å; M36-I47 HydrophobicContact CE-CD1 4.2Å; R45-I47 HydrophobicContact CG-CG1 4.28Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å
48	T	98.8	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	137.6	168.9	168.4	0	0	0	0	110.1	F32 H33 F46 R59 F60	F32-T48 VanDerWaalsContact O-CA 3.26Å; F32-T48 WeakPolarHBondContact O-CA 3.34Å; H33-T48 WeakPolarHBondContact CD2-CB 3.41Å; H33-T48 PolarHBondContact CD2-OG1 2.89Å; H33-T48 PolarHBondContact NE2-OG1 3.32Å; H33-T48 VanDerWaalsContact NE2-OG1 3.09Å; F46-T48 HydrophobicContact CE1-CG2 3.62Å; F46-T48 HydrophobicContact CZ-CG2 4.11Å; T48-R59 CarbonylContact O-C 3.51Å; T48-R59 WeakPolarHBondContact O-CA 3.45Å; T48-F60 HydrophobicContact CG2-CB 3.62Å; T48-F60 HydrophobicContact CG2-CD1 4.27Å; T48-F60 HydrophobicContact CG2-CG 4.29Å; T48-F60 PolarHBondContact N-O 3.36Å; T48-F60 PolarHBondContact O-N 3.02Å
49	V	98.9	Very high	97.1	Very high	32 Å²	32	46.2 Å²	46.2	19%	0.194	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.6	174.8	-67.8	0	0	0	0	109.7	Y31 F32 Y51 L56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.35Å; F32-V49 HydrophobicContact CB-CG2 3.9Å; F32-V49 HydrophobicContact CD2-CG2 4.34Å; F32-V49 PolarHBondContact N-O 3.34Å; F32-V49 PolarHBondContact O-N 3.02Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; V49-V58 WeakPolarHBondContact CA-O 3.41Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.17Å
50	G	98.8	Very high	97.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.6	175.5	0	0	0	0	0	110.5	R30 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.33Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.23Å; G50-V58 PolarHBondContact N-O 3.26Å; G50-V58 PolarHBondContact O-N 3.31Å
51	Y	98.8	Very high	97.6	Very high	73 Å²	73	40.3 Å²	40.3	29%	0.286	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.8	176.7	-77.7	-101.7	0	0	0	110.4	M29 R30 F32 V49 T55 L56	M29-Y51 CarbonylContact C-O 3.6Å; M29-Y51 WeakPolarHBondContact CA-O 3.42Å; R30-Y51 PolarHBondContact N-O 3.45Å; R30-Y51 PolarHBondContact O-N 3.05Å; F32-Y51 HydrophobicContact CD2-CD2 4.16Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.12Å; V49-Y51 HydrophobicContact CG2-CD2 4.35Å; V49-Y51 HydrophobicContact CG2-CE2 3.86Å; Y51-T55 WeakPolarHBondContact CA-O 3.5Å; Y51-T55 VanDerWaalsContact CD1-C 3.45Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å
52	V	98.5	Very high	97.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.5	156.5	176.8	0	0	0	0	106.1	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.58Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.34Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 3Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.47Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53	D	97	Very high	98.1	Very high	29 Å²	29	32 Å²	32	16%	0.155	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-124.9	-165.6	-52.5	-38.8	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.23Å; H27-D53 WeakPolarHBondContact CA-OD1 3.19Å; H27-D53 IonicContact CE1-OD2 3.44Å; H27-D53 IonicContact CG-OD2 2.78Å; H27-D53 IonicContact ND1-OD1 3.68Å; H27-D53 IonicContact ND1-OD2 3.95Å; H27-D53 PolarHBondContact ND1-OD2 3.26Å; S28-D53 PolarHBondContact N-OD1 2.98Å; S28-D53 PolarHBondContact O-N 2.87Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54	D	97.1	Very high	98.2	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.332	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	12.1	178	-61.7	-55.4	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3Å; D54-Y233 HydrophobicContact CB-CE2 3.98Å; D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.03Å; D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.77Å
55	T	97.6	Very high	98.2	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.086	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	112.6	-177.4	-58.3	0	0	0	0	111.8	Y51 V52 D53 F57 L203 Y233 R263	Y51-T55 WeakPolarHBondContact CA-O 3.5Å; Y51-T55 VanDerWaalsContact CD1-C 3.45Å; V52-T55 PolarHBondContact N-O 3.28Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.47Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.87Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.48Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; T55-R263 PolarHBondContact OG1-NE 2.95Å
56	L	98.2	Very high	98.1	Very high	48 Å²	48	35.9 Å²	35.9	25%	0.251	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	125	172.1	178.2	70	0	0	0	109.9	V49 Y51 R72	V49-L56 HydrophobicContact CB-CD1 3.71Å; V49-L56 HydrophobicContact CG1-CD1 4.01Å; Y51-L56 HydrophobicContact CD1-CB 4.18Å; Y51-L56 VanDerWaalsContact CD1-N 3.32Å; Y51-L56 HydrophobicContact CD2-CD1 4.06Å; Y51-L56 HydrophobicContact CE1-CB 3.63Å; Y51-L56 HydrophobicContact CE1-CD1 4.44Å; Y51-L56 HydrophobicContact CE2-CB 4.27Å; Y51-L56 HydrophobicContact CE2-CD1 3.5Å; Y51-L56 VanDerWaalsContact CE2-CD1 3.5Å; Y51-L56 HydrophobicContact CE2-CG 4.46Å; L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.91Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.07Å; L56-R72 CarbonylContact O-C 3.55Å
57	F	98.4	Very high	98	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-24.2	-179.3	77.9	-83.6	0	0	0	114.6	M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.3Å; Y31-F57 HydrophobicContact CE1-CZ 4.05Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.42Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.23Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.01Å; T55-F57 PolarHBondContact O-N 2.87Å; F57-R72 PolarHBondContact O-N 3.37Å; F57-A73 HydrophobicContact CB-CB 4.06Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.02Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å
58	V	98.7	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.5	175.7	-71.7	0	0	0	0	112.9	Y31 V49 G50 K69 E70 I76 W84	Y31-V58 HydrophobicContact CE1-CG2 3.9Å; V49-V58 WeakPolarHBondContact CA-O 3.41Å; G50-V58 PolarHBondContact N-O 3.26Å; G50-V58 PolarHBondContact O-N 3.31Å; V58-K69 HydrophobicContact CB-CD 3.98Å; V58-K69 HydrophobicContact CB-CG 4.13Å; V58-K69 HydrophobicContact CG1-CG 4.25Å; V58-K69 HydrophobicContact CG2-CD 4.27Å; V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.22Å; V58-I76 HydrophobicContact CG1-CG1 4.28Å; V58-W84 HydrophobicContact CG1-CH2 4.08Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å
59	R	98.6	Very high	98	Very high	85 Å²	85	43.6 Å²	43.6	32%	0.321	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.5	173.8	177	176.4	172.2	152.8	-0.4	111	T48 V49 D61 K69 E70 R72	T48-R59 CarbonylContact O-C 3.51Å; T48-R59 WeakPolarHBondContact O-CA 3.45Å; V49-R59 HydrophobicContact CG1-CB 4.32Å; V49-R59 HydrophobicContact CG1-CG 4.17Å; R59-D61 IonicContact CZ-OD2 3.39Å; R59-D61 IonicContact NH2-OD2 3.65Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å; R59-K69 WeakPolarHBondContact O-CA 3.34Å; R59-E70 PolarHBondContact N-O 3.26Å; R59-E70 PolarHBondContact O-N 2.88Å; R59-R72 HydrophobicContact CB-CG 3.98Å
60	F	98.8	Very high	97.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144	162.2	171.3	-78.6	0	0	0	109.2	F46 I47 T48 P67 R68 K69 S91 K92	F46-F60 AromaticContact CD1-CD1 3.93Å; F46-F60 HydrophobicContact CD1-CD1 3.93Å; F46-F60 AromaticContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CD1-CE1 3.93Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.4Å; T48-F60 HydrophobicContact CG2-CB 3.62Å; T48-F60 HydrophobicContact CG2-CD1 4.27Å; T48-F60 HydrophobicContact CG2-CG 4.29Å; T48-F60 PolarHBondContact N-O 3.36Å; T48-F60 PolarHBondContact O-N 3.02Å; F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.33Å; F60-K69 HydrophobicContact CB-CD 4.14Å; F60-S91 VanDerWaalsContact CD2-CB 3.41Å; F60-K92 HydrophobicContact CE2-CG 4.27Å; F60-K92 HydrophobicContact CZ-CG 4.22Å
61	D	98.7	Very high	97.9	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.091	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	119.6	178.5	-162.3	-28.9	0	0	0	109.2	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.94Å; R45-D61 IonicContact CZ-OD2 3.61Å; R45-D61 IonicContact NE-OD1 3Å; R45-D61 PolarHBondContact NE-OD1 3.18Å; R45-D61 IonicContact NE-OD2 3.74Å; R45-D61 IonicContact NH2-OD1 2.91Å; R45-D61 PolarHBondContact NH2-OD1 3.2Å; R45-D61 IonicContact NH2-OD2 2.65Å; R45-D61 PolarHBondContact NH2-OD2 2.66Å; R59-D61 IonicContact CZ-OD2 3.39Å; R59-D61 IonicContact NH2-OD2 3.65Å; R59-D61 PolarHBondContact NH2-OD2 2.87Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.05Å; D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3Å
62	S	98.3	Very high	97.9	Very high	27 Å²	27	50 Å²	50	19%	0.189	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-20.2	-178	68.4	0	0	0	0	113.4	R45 F46	R45-S62 WeakPolarHBondContact CA-OG 3.25Å; F46-S62 PolarHBondContact N-OG 3.42Å; F46-S62 PolarHBondContact O-N 3.41Å; F46-S62 PolarHBondContact O-OG 3.37Å
63	D	97.5	Very high	97.8	Very high	65 Å²	65	50.1 Å²	50.1	35%	0.348	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	179.7	-79.2	6.3	0	0	0	112.9	R38 R45 D61	R38-D63 IonicContact CZ-OD1 3.71Å; R38-D63 IonicContact CZ-OD2 3.79Å; R38-D63 IonicContact NH1-OD1 2.95Å; R38-D63 PolarHBondContact NH1-OD1 2.96Å; R38-D63 IonicContact NH1-OD2 3.94Å; R38-D63 PolarHBondContact NH1-OD2 2.93Å; R38-D63 IonicContact NH2-OD1 3.67Å; R38-D63 PolarHBondContact NH2-OD1 2.81Å; R38-D63 IonicContact NH2-OD2 3.74Å; R45-D63 VanDerWaalsContact CD-OD2 3.24Å; R45-D63 WeakPolarHBondContact CD-OD2 3.5Å; R45-D63 HydrophobicContact CG-CB 4.37Å; R45-D63 IonicContact NE-OD2 3.19Å; D61-D63 PolarHBondContact O-N 3.19Å; D61-D63 PolarHBondContact OD1-N 3.05Å
64	A	97.1	Very high	97.8	Very high	35 Å²	35	53.7 Å²	53.7	29%	0.289	29%	0.288	S	S	.	.	S	Bend	trans	-63.4	149	173.9	0	0	0	0	0	110.8	D61 S66 P67	D61-A64 WeakPolarHBondContact O-CB 3.45Å; D61-A64 PolarHBondContact O-N 3Å; A64-S66 PolarHBondContact O-N 2.84Å; A64-S66 VanDerWaalsContact O-N 3.16Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å
65	T	96.1	Very high	97.8	Very high	156 Å²	156	51.7 Å²	51.7	96%	0.957	28%	0.275	S	S	*	.	S	Bend	trans	-57	-33.3	179.1	-50.3	0	0	0	0	112.7
66	S	96.2	Very high	97.8	Very high	71 Å²	71	51 Å²	51	50%	0.497	27%	0.271	S	S	.	.	S	Bend	trans	-134.2	86.2	173.8	-175	0	0	0	0	108.5	A64 R68	A64-S66 PolarHBondContact O-N 2.84Å; A64-S66 VanDerWaalsContact O-N 3.16Å; S66-R68 PolarHBondContact O-N 2.9Å; S66-R68 VanDerWaalsContact O-N 3.08Å
67	P	97.3	Very high	97.8	Very high	41 Å²	41	54.8 Å²	54.8	27%	0.266	29%	0.287	S	S	.	.			trans	-62.2	112.9	-174.5	-24	35	0	0	0	111.8	F60 A64	F60-P67 HydrophobicContact CE2-CB 3.73Å; F60-P67 HydrophobicContact CZ-CB 3.64Å; A64-P67 WeakPolarHBondContact O-CD 3.46Å; A64-P67 VanDerWaalsContact O-CG 3.26Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å
68	R	98.2	Very high	97.7	Very high	147 Å²	147	60.5 Å²	60.5	56%	0.555	31%	0.314	S	S	*	.			trans	-140.4	158.3	177.2	-65.7	-171.4	178.4	-158.5	-4	110.2	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.47Å; F60-R68 WeakPolarHBondContact CD2-O 3.33Å; S66-R68 PolarHBondContact O-N 2.9Å; S66-R68 VanDerWaalsContact O-N 3.08Å; R68-E70 PolarHBondContact O-N 2.89Å; R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.23Å
69	K	98.6	Very high	97.6	Very high	11 Å²	11	61 Å²	61	5%	0.048	32%	0.317	C	S	.	.			trans	-72.6	123.7	168.1	-168.3	78.4	83.7	-177.7	0	107.6	V58 R59 F60 W84 E87 T88 S91	V58-K69 HydrophobicContact CB-CD 3.98Å; V58-K69 HydrophobicContact CB-CG 4.13Å; V58-K69 HydrophobicContact CG1-CG 4.25Å; V58-K69 HydrophobicContact CG2-CD 4.27Å; R59-K69 WeakPolarHBondContact O-CA 3.34Å; F60-K69 HydrophobicContact CB-CD 4.14Å; K69-W84 HydrophobicContact CB-CE3 4.3Å; K69-W84 HydrophobicContact CG-CE3 4.31Å; K69-W84 HydrophobicContact CG-CZ3 4.11Å; K69-E87 HydrophobicContact CB-CB 4.01Å; K69-E87 HydrophobicContact CG-CB 3.96Å; K69-T88 PolarHBondContact N-OG1 3.09Å; K69-S91 WeakPolarHBondContact CE-OG 3.18Å; K69-S91 PolarHBondContact NZ-OG 2.88Å
70	E	98.4	Very high	97.6	Very high	68 Å²	68	58.5 Å²	58.5	32%	0.318	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.2	-174.8	-64.9	173.9	163.7	0	0	110.5	V58 R59 R68 R72	V58-E70 VanDerWaalsContact CA-O 3.31Å; V58-E70 WeakPolarHBondContact CA-O 3.22Å; R59-E70 PolarHBondContact N-O 3.26Å; R59-E70 PolarHBondContact O-N 2.88Å; R68-E70 PolarHBondContact O-N 2.89Å; E70-R72 IonicContact OE2-CZ 3.91Å; E70-R72 IonicContact OE2-NH2 2.77Å; E70-R72 PolarHBondContact OE2-NH2 2.87Å
71	P	98.4	Very high	97.5	Very high	48 Å²	48	62.8 Å²	62.8	31%	0.312	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	146.5	171.6	28.9	-33.9	0	0	0	111	I76 E77 W84	P71-I76 HydrophobicContact CB-CG2 3.68Å; P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72	R	97.9	Very high	97.5	Very high	123 Å²	123	69.6 Å²	69.6	46%	0.464	38%	0.376	S	S	.	.			trans	-131.8	0.3	175	-61.9	-64.7	172.5	-175.5	-0.5	113.3	L56 F57 R59 E70	L56-R72 HydrophobicContact CD2-CB 3.92Å; L56-R72 HydrophobicContact CD2-CG 3.91Å; L56-R72 HydrophobicContact CG-CB 3.76Å; L56-R72 HydrophobicContact CG-CG 4.07Å; L56-R72 CarbonylContact O-C 3.55Å; F57-R72 PolarHBondContact O-N 3.37Å; R59-R72 HydrophobicContact CB-CG 3.98Å; E70-R72 IonicContact OE2-CZ 3.91Å; E70-R72 IonicContact OE2-NH2 2.77Å; E70-R72 PolarHBondContact OE2-NH2 2.87Å
73	A	96.9	Very high	97.5	Very high	4 Å²	4	68.9 Å²	68.9	3%	0.033	37%	0.369	C	S	.	.	S	Bend	trans	-136.1	144.6	172.8	0	0	0	0	0	110.5	F57 W75 I76	F57-A73 HydrophobicContact CB-CB 4.06Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 2.76Å; A73-I76 WeakPolarHBondContact O-CG2 3.29Å; A73-I76 PolarHBondContact O-N 2.7Å
74	P	97.1	Very high	97.5	Very high	104 Å²	104	67.7 Å²	67.7	68%	0.675	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-59.2	-37.6	-177.1	-26.2	34.8	0	0	0	113.8	I76 E77	P74-I76 PolarHBondContact O-N 2.74Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.8Å; P74-E77 VanDerWaalsContact O-N 3.13Å
75	W	97	Very high	97.6	Very high	20 Å²	20	70.6 Å²	70.6	8%	0.076	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-70.1	-14.4	-175.7	53.3	-106.3	0	0	0	114.3	V52 F57 A73 Q78 Y195 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.46Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.41Å; F57-W75 HydrophobicContact CB-CH2 3.16Å; F57-W75 HydrophobicContact CB-CZ2 3.33Å; F57-W75 HydrophobicContact CB-CZ3 4.02Å; F57-W75 HydrophobicContact CD1-CH2 4.05Å; F57-W75 AromaticContact CD2-CH2 3.67Å; F57-W75 HydrophobicContact CD2-CH2 3.67Å; F57-W75 AromaticContact CD2-CZ3 3.97Å; F57-W75 HydrophobicContact CD2-CZ3 3.97Å; F57-W75 AromaticContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CH2 3.39Å; F57-W75 HydrophobicContact CG-CZ2 4.05Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.18Å; A73-W75 HydrophobicContact CB-CG 4.39Å; A73-W75 HydrophobicContact CB-CZ2 3.99Å; A73-W75 PolarHBondContact O-N 2.76Å; W75-Q78 WeakPolarHBondContact O-CG 3.27Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; W75-Y195 HydrophobicContact CE3-CD1 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.66Å; W75-Y195 HydrophobicContact CZ3-CG 3.66Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å
76	I	98.1	Very high	97.7	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-89.5	-19.6	173.9	-163.4	71.5	0	0	0	111.8	F57 V58 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-I76 HydrophobicContact CD2-CB 4.37Å; F57-I76 HydrophobicContact CD2-CD1 3.98Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.24Å; F57-I76 VanDerWaalsContact O-CG2 3.3Å; F57-I76 WeakPolarHBondContact O-CG2 3.17Å; V58-I76 HydrophobicContact CG1-CG1 4.28Å; P71-I76 HydrophobicContact CB-CG2 3.68Å; A73-I76 WeakPolarHBondContact O-CG2 3.29Å; A73-I76 PolarHBondContact O-N 2.7Å; P74-I76 PolarHBondContact O-N 2.74Å; I76-Q78 PolarHBondContact O-N 2.64Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.26Å; I76-E79 PolarHBondContact O-N 3.18Å; I76-Y83 HydrophobicContact CD1-CE1 4.18Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 4.05Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.33Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å
77	E	97.2	Very high	97.8	Very high	126 Å²	126	66 Å²	66	59%	0.589	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.9	-176.8	-65.2	-180	-172.3	0	0	113.2	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.78Å; P71-E77 HydrophobicContact CG-CG 4.06Å; P74-E77 WeakPolarHBondContact O-CB 3.47Å; P74-E77 PolarHBondContact O-N 2.8Å; P74-E77 VanDerWaalsContact O-N 3.13Å; E77-E79 PolarHBondContact O-N 3.03Å
78	Q	96.1	Very high	97.9	Very high	120 Å²	120	64.4 Å²	64.4	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.5	175.6	69.4	-173.3	-31.1	0	0	114.2	W75 I76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.27Å; W75-Q78 PolarHBondContact O-NE2 2.75Å; I76-Q78 PolarHBondContact O-N 2.64Å; I76-Q78 VanDerWaalsContact O-N 3.15Å; Q78-N198 PolarHBondContact NE2-ND2 2.94Å
79	E	97.8	Very high	97.9	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.056	31%	0.311	C	S	.	.	S	Bend	trans	-65	138.8	175.8	-65.6	-62	166.5	0	0	110.9	I76 E77 Y83 W84 R194 N198	I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.19Å; I76-E79 WeakPolarHBondContact O-CB 3.31Å; I76-E79 WeakPolarHBondContact O-CG 3.26Å; I76-E79 PolarHBondContact O-N 3.18Å; E77-E79 PolarHBondContact O-N 3.03Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 3.45Å; E79-R194 IonicContact OE1-CZ 3.49Å; E79-R194 IonicContact OE1-NE 2.71Å; E79-R194 PolarHBondContact OE1-NE 3.05Å; E79-R194 IonicContact OE1-NH2 3.31Å; E79-R194 PolarHBondContact OE1-NH2 2.9Å; E79-R194 IonicContact OE2-CZ 3.52Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 2.75Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E79-N198 PolarHBondContact OE1-ND2 3.4Å
80	G	97.4	Very high	97.9	Very high	31 Å²	31	64.9 Å²	64.9	32%	0.32	33%	0.326	S	S	.	.			trans	-69.6	168.1	-175.5	0	0	0	0	0	114.1	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.94Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.43Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.93Å
81	P	97.8	Very high	97.9	Very high	92 Å²	92	61.7 Å²	61.7	60%	0.597	31%	0.31	S	S	*	.	H	α-helix	trans	-57.6	-34	-179	23.4	-33.7	0	0	0	113.1	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.94Å; P81-W84 PolarHBondContact O-N 3.38Å; P81-W84 VanDerWaalsContact O-N 3.15Å; P81-D85 WeakPolarHBondContact O-CB 3.49Å; P81-D85 PolarHBondContact O-N 2.94Å
82	E	98	Very high	97.8	Very high	161 Å²	161	63.4 Å²	63.4	75%	0.752	31%	0.313	S	S	*	.	H	α-helix	trans	-60.6	-36.9	178.6	-64.7	143.6	-179.7	0	0	112.5	G80 R86	G80-E82 PolarHBondContact O-N 2.94Å; E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 2.9Å
83	Y	98.2	Very high	97.9	Very high	12 Å²	12	61.4 Å²	61.4	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-64.7	-50.9	174.1	170.9	-94.5	0	0	0	110.2	I76 E79 G80 P81 D85 R86 E87 W191 Y195	I76-Y83 HydrophobicContact CD1-CE1 4.18Å; I76-Y83 HydrophobicContact CG1-CE1 4.19Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.82Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CE1 4.24Å; E79-Y83 HydrophobicContact CG-CG 4.2Å; G80-Y83 WeakPolarHBondContact O-CB 3.43Å; G80-Y83 PolarHBondContact O-N 3.43Å; G80-Y83 VanDerWaalsContact O-N 3.09Å; P81-Y83 VanDerWaalsContact C-N 3.29Å; P81-Y83 PolarHBondContact O-N 2.94Å; Y83-D85 PolarHBondContact O-N 2.96Å; Y83-R86 PolarHBondContact O-N 3.29Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.03Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.35Å; Y83-E87 WeakPolarHBondContact O-CB 3.46Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.42Å; Y83-E87 PolarHBondContact O-N 3.38Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.15Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CE3 4.48Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.39Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.04Å
84	W	98.5	Very high	97.9	Very high	39 Å²	39	62.5 Å²	62.5	15%	0.148	32%	0.32	C	S	.	.	H	α-helix	trans	-63.7	-39.9	-177.7	-65	113.4	0	0	0	113.2	V58 K69 P71 I76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 4.08Å; V58-W84 HydrophobicContact CG1-CZ3 3.92Å; K69-W84 HydrophobicContact CB-CE3 4.3Å; K69-W84 HydrophobicContact CG-CE3 4.31Å; K69-W84 HydrophobicContact CG-CZ3 4.11Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.96Å; P71-W84 HydrophobicContact CB-CZ3 4.46Å; P71-W84 HydrophobicContact CG-CH2 4.22Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; I76-W84 HydrophobicContact CB-CH2 4.47Å; I76-W84 HydrophobicContact CG1-CH2 3.76Å; I76-W84 HydrophobicContact CG1-CZ2 4.05Å; I76-W84 HydrophobicContact CG2-CH2 4.02Å; I76-W84 HydrophobicContact CG2-CZ2 4.41Å; I76-W84 WeakPolarHBondContact O-CZ2 3.33Å; E79-W84 HydrophobicContact CB-CZ2 4.49Å; E79-W84 PolarHBondContact O-NE1 3.45Å; G80-W84 VanDerWaalsContact O-CD1 3.26Å; G80-W84 PolarHBondContact O-N 2.93Å; P81-W84 PolarHBondContact O-N 3.38Å; P81-W84 VanDerWaalsContact O-N 3.15Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 2.76Å; W84-T88 PolarHBondContact O-OG1 3.49Å
85	D	98.4	Very high	97.9	Very high	96 Å²	96	58.2 Å²	58.2	51%	0.513	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-46.4	176.1	-73.3	-20.8	0	0	0	110.6	P81 Y83 T88 E89	P81-D85 WeakPolarHBondContact O-CB 3.49Å; P81-D85 PolarHBondContact O-N 2.94Å; Y83-D85 PolarHBondContact O-N 2.96Å; D85-T88 PolarHBondContact O-N 2.94Å; D85-E89 WeakPolarHBondContact O-CG 3.25Å; D85-E89 PolarHBondContact O-N 3.3Å
86	R	98.2	Very high	98	Very high	113 Å²	113	62.1 Å²	62.1	43%	0.426	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-50.5	177	-170.2	-172.7	78.3	-171.6	1.4	112	E82 Y83 T88 E89 I90	E82-R86 VanDerWaalsContact O-CB 3.24Å; E82-R86 WeakPolarHBondContact O-CB 3.44Å; E82-R86 PolarHBondContact O-N 2.9Å; Y83-R86 PolarHBondContact O-N 3.29Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 2.91Å; R86-E89 PolarHBondContact O-N 2.94Å; R86-I90 HydrophobicContact CG-CD1 4Å; R86-I90 VanDerWaalsContact O-CG1 3.3Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.83Å
87	E	98.4	Very high	97.9	Very high	18 Å²	18	65 Å²	65	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-66.9	-29.8	-178.5	-66.6	-50.8	129.2	0	0	112.5	K69 Y83 S91	K69-E87 HydrophobicContact CB-CB 4.01Å; K69-E87 HydrophobicContact CG-CB 3.96Å; Y83-E87 HydrophobicContact CD1-CG 4.33Å; Y83-E87 HydrophobicContact CD2-CG 4.03Å; Y83-E87 HydrophobicContact CE1-CG 4.01Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.35Å; Y83-E87 WeakPolarHBondContact O-CB 3.46Å; Y83-E87 VanDerWaalsContact O-CG 3.31Å; Y83-E87 WeakPolarHBondContact O-CG 3.42Å; Y83-E87 PolarHBondContact O-N 3.38Å; E87-S91 WeakPolarHBondContact O-CB 3.37Å; E87-S91 PolarHBondContact O-N 3.22Å; E87-S91 VanDerWaalsContact O-N 3.08Å; E87-S91 PolarHBondContact O-OG 2.86Å
88	T	98.6	Very high	97.9	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.049	30%	0.302	C	S	.	.	H	α-helix	trans	-67.4	-48.8	172.1	-66.9	0	0	0	0	111.2	R68 K69 W84 D85 R86 I90 S91 K92	R68-T88 HydrophobicContact CB-CG2 4.35Å; R68-T88 HydrophobicContact CG-CG2 4.23Å; K69-T88 PolarHBondContact N-OG1 3.09Å; W84-T88 WeakPolarHBondContact O-CB 3.23Å; W84-T88 PolarHBondContact O-N 2.76Å; W84-T88 PolarHBondContact O-OG1 3.49Å; D85-T88 PolarHBondContact O-N 2.94Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 2.91Å; T88-I90 PolarHBondContact O-N 3.37Å; T88-S91 WeakPolarHBondContact O-CB 3.33Å; T88-S91 PolarHBondContact O-N 2.79Å; T88-S91 VanDerWaalsContact O-N 3.11Å; T88-K92 HydrophobicContact CG2-CD 4.32Å; T88-K92 WeakPolarHBondContact O-CG 3.35Å; T88-K92 PolarHBondContact O-N 2.79Å
89	E	98.5	Very high	97.9	Very high	100 Å²	100	55.8 Å²	55.8	47%	0.467	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-37.5	179	-72.1	-53.4	125.5	0	0	112.4	D85 R86 S91 K92 T93	D85-E89 WeakPolarHBondContact O-CG 3.25Å; D85-E89 PolarHBondContact O-N 3.3Å; R86-E89 PolarHBondContact O-N 2.94Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.19Å; E89-K92 PolarHBondContact O-N 2.94Å; E89-K92 WeakPolarHBondContact OE1-CD 3.49Å; E89-K92 IonicContact OE1-NZ 2.75Å; E89-K92 PolarHBondContact OE1-NZ 2.87Å; E89-T93 WeakPolarHBondContact O-CB 2.94Å; E89-T93 PolarHBondContact O-N 3Å; E89-T93 PolarHBondContact O-OG1 3.3Å
90	I	98.1	Very high	97.9	Very high	68 Å²	68	60.9 Å²	60.9	35%	0.349	31%	0.307	S	S	.	.	H	α-helix	trans	-58.5	-44.3	170.4	-70	166.9	0	0	0	110.5	R86 T88 T93 N94	R86-I90 HydrophobicContact CG-CD1 4Å; R86-I90 VanDerWaalsContact O-CG1 3.3Å; R86-I90 WeakPolarHBondContact O-CG1 3.48Å; R86-I90 PolarHBondContact O-N 2.83Å; T88-I90 PolarHBondContact O-N 3.37Å; I90-T93 PolarHBondContact O-N 3.49Å; I90-N94 WeakPolarHBondContact O-CB 3.03Å; I90-N94 PolarHBondContact O-N 2.81Å; I90-N94 PolarHBondContact O-ND2 2.84Å
91	S	98.4	Very high	97.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.6	-38.3	-179.8	-57.2	0	0	0	0	112.8	F60 K69 E87 T88 E89 N94 T95	F60-S91 VanDerWaalsContact CD2-CB 3.41Å; K69-S91 WeakPolarHBondContact CE-OG 3.18Å; K69-S91 PolarHBondContact NZ-OG 2.88Å; E87-S91 WeakPolarHBondContact O-CB 3.37Å; E87-S91 PolarHBondContact O-N 3.22Å; E87-S91 VanDerWaalsContact O-N 3.08Å; E87-S91 PolarHBondContact O-OG 2.86Å; T88-S91 WeakPolarHBondContact O-CB 3.33Å; T88-S91 PolarHBondContact O-N 2.79Å; T88-S91 VanDerWaalsContact O-N 3.11Å; E89-S91 VanDerWaalsContact C-N 3.31Å; E89-S91 PolarHBondContact O-N 3.19Å; S91-N94 PolarHBondContact O-N 2.9Å; S91-T95 PolarHBondContact O-N 3.36Å; S91-T95 PolarHBondContact O-OG1 3.38Å
92	K	98.1	Very high	97.9	Very high	84 Å²	84	57.2 Å²	57.2	37%	0.365	28%	0.275	S	S	.	.	H	α-helix	trans	-66.3	-41.3	173.9	-71.7	176.6	-174.8	166.1	0	111.9	F60 T88 E89 T95 Q96	F60-K92 HydrophobicContact CE2-CG 4.27Å; F60-K92 HydrophobicContact CZ-CG 4.22Å; T88-K92 HydrophobicContact CG2-CD 4.32Å; T88-K92 WeakPolarHBondContact O-CG 3.35Å; T88-K92 PolarHBondContact O-N 2.79Å; E89-K92 PolarHBondContact O-N 2.94Å; E89-K92 WeakPolarHBondContact OE1-CD 3.49Å; E89-K92 IonicContact OE1-NZ 2.75Å; E89-K92 PolarHBondContact OE1-NZ 2.87Å; K92-T95 VanDerWaalsContact O-CB 3.31Å; K92-T95 WeakPolarHBondContact O-CB 3.42Å; K92-T95 PolarHBondContact O-N 3.39Å; K92-Q96 PolarHBondContact O-N 3.23Å
93	T	98.3	Very high	97.9	Very high	82 Å²	82	55.8 Å²	55.8	50%	0.503	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-48.6	174.6	-58.6	0	0	0	0	110.3	E89 I90 T95 Q96 T97	E89-T93 WeakPolarHBondContact O-CB 2.94Å; E89-T93 PolarHBondContact O-N 3Å; E89-T93 PolarHBondContact O-OG1 3.3Å; I90-T93 PolarHBondContact O-N 3.49Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.97Å; T93-Q96 PolarHBondContact O-N 2.83Å; T93-T97 PolarHBondContact O-N 2.97Å; T93-T97 PolarHBondContact O-OG1 3.25Å
94	N	97.9	Very high	97.8	Very high	27 Å²	27	56.8 Å²	56.8	14%	0.144	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-36.6	175.2	-75.2	-32.7	0	0	0	112.5	F46 I90 S91 Q96 T97 Y98	F46-N94 HydrophobicContact CE1-CB 4.03Å; F46-N94 HydrophobicContact CE2-CB 4.27Å; F46-N94 HydrophobicContact CZ-CB 3.64Å; I90-N94 WeakPolarHBondContact O-CB 3.03Å; I90-N94 PolarHBondContact O-N 2.81Å; I90-N94 PolarHBondContact O-ND2 2.84Å; S91-N94 PolarHBondContact O-N 2.9Å; N94-Q96 PolarHBondContact O-N 2.81Å; N94-T97 PolarHBondContact O-N 3.28Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.25Å; N94-Y98 WeakPolarHBondContact O-CB 3.5Å; N94-Y98 WeakPolarHBondContact O-CD2 3.43Å; N94-Y98 PolarHBondContact O-N 3.12Å
95	T	97.9	Very high	97.8	Very high	14 Å²	14	55 Å²	55	9%	0.086	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-40	175	-58.4	0	0	0	0	111.6	F46 S91 K92 T93 R99	F46-T95 HydrophobicContact CB-CG2 3.92Å; F46-T95 WeakPolarHBondContact CD1-OG1 3.33Å; S91-T95 PolarHBondContact O-N 3.36Å; S91-T95 PolarHBondContact O-OG1 3.38Å; K92-T95 VanDerWaalsContact O-CB 3.31Å; K92-T95 WeakPolarHBondContact O-CB 3.42Å; K92-T95 PolarHBondContact O-N 3.39Å; T93-T95 VanDerWaalsContact C-N 3.27Å; T93-T95 PolarHBondContact O-N 2.97Å; T95-R99 WeakPolarHBondContact O-CB 3.48Å; T95-R99 PolarHBondContact O-N 2.81Å
96	Q	97.6	Very high	97.7	Very high	102 Å²	102	51.8 Å²	51.8	48%	0.477	25%	0.245	S	C	.	.	H	α-helix	trans	-73.8	-45.9	176.5	-58.7	-53.8	-39.6	0	0	112.1	K92 T93 N94 Y98 R99 E100	K92-Q96 PolarHBondContact O-N 3.23Å; T93-Q96 PolarHBondContact O-N 2.83Å; N94-Q96 PolarHBondContact O-N 2.81Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.38Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 2.73Å; Q96-E100 PolarHBondContact O-N 3.28Å
97	T	97.2	Very high	97.7	Very high	59 Å²	59	54 Å²	54	36%	0.362	25%	0.253	S	S	.	.	H	α-helix	trans	-57.3	-44.6	178.8	-56.6	0	0	0	0	111.8	T93 N94 E100 N101	T93-T97 PolarHBondContact O-N 2.97Å; T93-T97 PolarHBondContact O-OG1 3.25Å; N94-T97 PolarHBondContact O-N 3.28Å; T97-E100 PolarHBondContact O-N 2.98Å; T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 2.03Å; T97-N101 PolarHBondContact O-OD1 2.85Å
98	Y	96.4	Very high	97.7	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-72.9	-30.4	-178	-80	-115.1	0	0	0	112.6	H33 A35 F46 N94 Q96 E100 N101 L102 W119 R121	H33-Y98 HydrophobicContact CB-CE1 3.86Å; H33-Y98 AromaticContact ND1-CE2 3.92Å; H33-Y98 AromaticContact ND1-CZ 3.56Å; H33-Y98 PolarHBondContact ND1-OH 2.96Å; A35-Y98 HydrophobicContact CB-CD1 3.89Å; A35-Y98 HydrophobicContact CB-CG 4.22Å; F46-Y98 HydrophobicContact CD2-CD1 4.43Å; F46-Y98 HydrophobicContact CD2-CG 4.17Å; F46-Y98 HydrophobicContact CE2-CD1 4.09Å; F46-Y98 AromaticContact CE2-CD2 3.96Å; F46-Y98 HydrophobicContact CE2-CD2 3.96Å; F46-Y98 HydrophobicContact CE2-CE1 4.31Å; F46-Y98 HydrophobicContact CE2-CE2 4.18Å; F46-Y98 AromaticContact CE2-CG 3.9Å; F46-Y98 HydrophobicContact CE2-CG 3.9Å; N94-Y98 HydrophobicContact CB-CD2 4.27Å; N94-Y98 HydrophobicContact CB-CE2 4.25Å; N94-Y98 WeakPolarHBondContact O-CB 3.5Å; N94-Y98 WeakPolarHBondContact O-CD2 3.43Å; N94-Y98 PolarHBondContact O-N 3.12Å; Q96-Y98 VanDerWaalsContact C-N 3.31Å; Q96-Y98 PolarHBondContact O-N 3.38Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; Y98-N101 PolarHBondContact O-N 2.99Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 3.3Å; Y98-W119 AromaticContact CD1-CD1 3.28Å; Y98-W119 HydrophobicContact CD1-CG 4.16Å; Y98-W119 AromaticContact CD1-NE1 3.98Å; Y98-W119 AromaticContact CE1-CD1 3.36Å; Y98-W119 AromaticContact CE1-NE1 3.81Å; Y98-R121 HydrophobicContact CE1-CB 4.22Å; Y98-R121 WeakPolarHBondContact OH-CB 3.39Å; Y98-R121 WeakPolarHBondContact OH-CD 3.49Å
99	R	97.1	Very high	97.6	Very high	47 Å²	47	58 Å²	58	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-43.4	169.6	175.6	-169	-59.9	-174.4	-9.2	111.1	E43 P44 T95 Q96 R103	E43-R99 VanDerWaalsContact CB-NH2 3.33Å; E43-R99 VanDerWaalsContact CD-CZ 3.47Å; E43-R99 WeakPolarHBondContact OE2-CD 3.35Å; E43-R99 IonicContact OE2-CZ 3.72Å; E43-R99 IonicContact OE2-NE 3.53Å; E43-R99 PolarHBondContact OE2-NE 3.49Å; E43-R99 IonicContact OE2-NH1 3.87Å; E43-R99 IonicContact OE2-NH2 2.9Å; P44-R99 HydrophobicContact CG-CB 4.43Å; P44-R99 HydrophobicContact CG-CG 4.15Å; T95-R99 WeakPolarHBondContact O-CB 3.48Å; T95-R99 PolarHBondContact O-N 2.81Å; Q96-R99 WeakPolarHBondContact O-CB 3.39Å; Q96-R99 PolarHBondContact O-N 2.73Å; R99-R103 PolarHBondContact O-N 3Å
100	E	97.3	Very high	97.5	Very high	118 Å²	118	60.5 Å²	60.5	55%	0.551	28%	0.284	S	S	*	.	H	α-helix	trans	-67.2	-42.9	175.4	-174.4	170.2	-172.6	0	0	111.8	Q96 T97 Y98 L102 R103 I104	Q96-E100 PolarHBondContact O-N 3.28Å; T97-E100 PolarHBondContact O-N 2.98Å; Y98-E100 VanDerWaalsContact C-N 3.33Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 2.98Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 3.31Å; E100-I104 HydrophobicContact CG-CD1 3.91Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 2.96Å
101	N	97.4	Very high	97.5	Very high	40 Å²	40	60.3 Å²	60.3	21%	0.214	28%	0.281	C	S	.	.	H	α-helix	trans	-57.1	-42.2	176.3	-69.7	-17.4	0	0	0	112.2	T97 Y98 R103 I104 A105 W119	T97-N101 VanDerWaalsContact O-CG 3.24Å; T97-N101 PolarHBondContact O-N 2.03Å; T97-N101 PolarHBondContact O-OD1 2.85Å; Y98-N101 PolarHBondContact O-N 2.99Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 2.88Å; N101-I104 PolarHBondContact O-N 2.98Å; N101-A105 WeakPolarHBondContact O-CB 3.48Å; N101-A105 PolarHBondContact O-N 3.43Å; N101-W119 HydrophobicContact CB-CD2 4.14Å; N101-W119 HydrophobicContact CB-CE3 4.47Å; N101-W119 HydrophobicContact CB-CZ2 4.29Å
102	L	98.1	Very high	97.3	Very high	7 Å²	7	64 Å²	64	4%	0.037	31%	0.308	C	S	.	.	H	α-helix	trans	-59	-42.6	174.3	-76.4	164.7	0	0	0	111.9	A35 P44 Y98 E100 A105 L106 H117 W119 Y142	A35-L102 HydrophobicContact CB-CD1 3.97Å; P44-L102 HydrophobicContact CB-CD1 3.69Å; P44-L102 HydrophobicContact CG-CD1 3.88Å; Y98-L102 WeakPolarHBondContact O-CG 3.33Å; Y98-L102 PolarHBondContact O-N 3.3Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 2.98Å; L102-A105 PolarHBondContact O-N 2.88Å; L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L106 VanDerWaalsContact O-N 3.14Å; L102-H117 HydrophobicContact CD2-CB 4.16Å; L102-W119 HydrophobicContact CD2-CB 3.8Å; L102-W119 HydrophobicContact CG-CB 4.1Å; L102-Y142 HydrophobicContact CD2-CE2 4.17Å
103	R	96.8	Very high	97.1	Very high	131 Å²	131	68 Å²	68	49%	0.494	33%	0.327	S	S	.	.	H	α-helix	trans	-67.6	-36	176.9	-65.9	173.8	-176.3	167.4	0.7	112.6	E43 R99 E100 N101	E43-R103 IonicContact OE1-NH2 3.57Å; E43-R103 IonicContact OE2-NH2 3.81Å; R99-R103 PolarHBondContact O-N 3Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 3.31Å; N101-R103 VanDerWaalsContact C-N 3.33Å; N101-R103 PolarHBondContact O-N 2.88Å
104	I	97.3	Very high	96.9	Very high	32 Å²	32	68.1 Å²	68.1	16%	0.164	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-45.6	175.3	-69.7	166.7	0	0	0	110.2	E100 N101 L106 R107 Y108	E100-I104 HydrophobicContact CG-CD1 3.91Å; E100-I104 HydrophobicContact CG-CG1 4.37Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 2.96Å; N101-I104 PolarHBondContact O-N 2.98Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.94Å; I104-R107 WeakPolarHBondContact O-CB 3.4Å; I104-R107 PolarHBondContact O-N 2.96Å; I104-Y108 HydrophobicContact CG2-CD1 4.16Å; I104-Y108 HydrophobicContact CG2-CD2 4Å; I104-Y108 HydrophobicContact CG2-CE1 3.73Å; I104-Y108 HydrophobicContact CG2-CE2 3.56Å; I104-Y108 HydrophobicContact CG2-CG 4.28Å; I104-Y108 VanDerWaalsContact CG2-CZ 3.4Å; I104-Y108 PolarHBondContact O-N 3.49Å
105	A	97.4	Very high	96.7	Very high	1 Å²	1	68 Å²	68	1%	0.008	34%	0.342	C	S	.	.	H	α-helix	trans	-58.9	-44.5	-179.6	0	0	0	0	0	111.6	N101 L102 R107 Y108 Y109 W119 Y142	N101-A105 WeakPolarHBondContact O-CB 3.48Å; N101-A105 PolarHBondContact O-N 3.43Å; L102-A105 PolarHBondContact O-N 2.88Å; A105-R107 PolarHBondContact O-N 2.93Å; A105-Y108 PolarHBondContact O-N 3.19Å; A105-Y108 VanDerWaalsContact O-N 3.07Å; A105-Y109 VanDerWaalsContact O-CD2 3.32Å; A105-Y109 WeakPolarHBondContact O-CD2 3.11Å; A105-Y109 PolarHBondContact O-N 3Å; A105-W119 HydrophobicContact CB-CE3 4.18Å; A105-W119 HydrophobicContact CB-CZ3 3.89Å; A105-Y142 HydrophobicContact CB-CD1 4.38Å; A105-Y142 HydrophobicContact CB-CD2 4.08Å; A105-Y142 HydrophobicContact CB-CE1 3.94Å; A105-Y142 HydrophobicContact CB-CE2 3.62Å; A105-Y142 HydrophobicContact CB-CG 4.43Å
106	L	97.4	Very high	96.6	Very high	30 Å²	30	71.4 Å²	71.4	16%	0.157	37%	0.366	C	S	.	.	H	α-helix	trans	-50.4	-43.9	173.5	-74.6	175.3	0	0	0	112.4	L102 I104 N110 Q111 E113 H117	L102-L106 WeakPolarHBondContact O-CG 3.48Å; L102-L106 PolarHBondContact O-N 3.46Å; L102-L106 VanDerWaalsContact O-N 3.14Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 2.94Å; L106-N110 WeakPolarHBondContact O-CA 3.48Å; L106-N110 PolarHBondContact O-N 2.95Å; L106-Q111 HydrophobicContact CD2-CB 3.68Å; L106-Q111 PolarHBondContact O-N 2.95Å; L106-E113 HydrophobicContact CD1-CG 4.48Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.5Å
107	R	97.4	Very high	96.7	Very high	158 Å²	158	67.3 Å²	67.3	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-70.7	-42.8	178.6	-66.6	-170	-65.5	-105.1	3.5	112.4	I104 A105 Y109 N110	I104-R107 WeakPolarHBondContact O-CB 3.4Å; I104-R107 PolarHBondContact O-N 2.96Å; A105-R107 PolarHBondContact O-N 2.93Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 2.93Å; R107-N110 PolarHBondContact O-N 2.93Å
108	Y	97.7	Very high	96.7	Very high	48 Å²	48	66.2 Å²	66.2	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-63.9	-34.8	-179.6	-70.9	-3.5	0	0	0	112.4	I104 A105 Y147 A163 I166 K170	I104-Y108 HydrophobicContact CG2-CD1 4.16Å; I104-Y108 HydrophobicContact CG2-CD2 4Å; I104-Y108 HydrophobicContact CG2-CE1 3.73Å; I104-Y108 HydrophobicContact CG2-CE2 3.56Å; I104-Y108 HydrophobicContact CG2-CG 4.28Å; I104-Y108 VanDerWaalsContact CG2-CZ 3.4Å; I104-Y108 PolarHBondContact O-N 3.49Å; A105-Y108 PolarHBondContact O-N 3.19Å; A105-Y108 VanDerWaalsContact O-N 3.07Å; Y108-Y147 WeakPolarHBondContact CD2-OH 3.22Å; Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CE1-CD1 4.32Å; Y108-I166 HydrophobicContact CE1-CG2 4.11Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.34Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.45Å; Y108-K170 PolarHBondContact OH-NZ 3.43Å
109	Y	97.8	Very high	96.8	Very high	63 Å²	63	66.3 Å²	66.3	25%	0.247	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.9	180	-69	-72.5	0	0	0	114.1	A105 R107 Q111 Y142 Y147 D161 A163	A105-Y109 VanDerWaalsContact O-CD2 3.32Å; A105-Y109 WeakPolarHBondContact O-CD2 3.11Å; A105-Y109 PolarHBondContact O-N 3Å; R107-Y109 VanDerWaalsContact C-N 3.26Å; R107-Y109 PolarHBondContact O-N 2.93Å; Y109-Q111 VanDerWaalsContact C-N 3.25Å; Y109-Q111 PolarHBondContact O-N 3.44Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.32Å; Y109-Y147 HydrophobicContact CE2-CD2 4.29Å; Y109-Y147 AromaticContact CE2-CE2 3.94Å; Y109-Y147 HydrophobicContact CE2-CE2 3.94Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.93Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å
110	N	96.9	Very high	96.9	Very high	152 Å²	152	67.5 Å²	67.5	81%	0.813	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	41.4	-176.9	-56.1	-59.5	0	0	0	113.3	L106 R107	L106-N110 WeakPolarHBondContact O-CA 3.48Å; L106-N110 PolarHBondContact O-N 2.95Å; R107-N110 PolarHBondContact O-N 2.93Å
111	Q	97.1	Very high	97	Very high	64 Å²	64	64 Å²	64	30%	0.299	33%	0.33	S	S	.	.			trans	-93.2	152.6	-177.7	-70.6	166.7	-36.3	0	0	111.8	L106 Y109 H117 Y142	L106-Q111 HydrophobicContact CD2-CB 3.68Å; L106-Q111 PolarHBondContact O-N 2.95Å; Y109-Q111 VanDerWaalsContact C-N 3.25Å; Y109-Q111 PolarHBondContact O-N 3.44Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å
112	S	95	Very high	97	Very high	79 Å²	79	63.1 Å²	63.1	55%	0.552	33%	0.325	S	S	*	.			trans	-76.7	148.2	177.5	69.7	0	0	0	0	112.3	A114 G115	S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 VanDerWaalsContact O-N 3.14Å; S112-G115 PolarHBondContact O-N 3.13Å
113	E	93.4	Very high	97.1	Very high	166 Å²	166	64 Å²	64	78%	0.776	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.9	175.1	-60.4	-172.9	167.2	0	0	114.4	P39 L106 G115	P39-E113 VanDerWaalsContact CB-O 3.32Å; P39-E113 WeakPolarHBondContact CB-O 3.18Å; P39-E113 WeakPolarHBondContact CG-O 3.32Å; L106-E113 HydrophobicContact CD1-CG 4.48Å; E113-G115 VanDerWaalsContact C-N 3.3Å
114	A	93.6	Very high	97.2	Very high	86 Å²	86	57.8 Å²	57.8	71%	0.711	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.8	177.6	0	0	0	0	0	113.1	S112	S112-A114 PolarHBondContact O-N 3.48Å; S112-A114 VanDerWaalsContact O-N 3.14Å
115	G	93.5	Very high	97.2	Very high	24 Å²	24	56.2 Å²	56.2	25%	0.247	30%	0.297	C	S	.	.	S	Bend	trans	-78.3	141.3	-178.4	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.46Å; S112-G115 PolarHBondContact O-N 3.13Å; E113-G115 VanDerWaalsContact C-N 3.3Å; G115-H117 PolarHBondContact O-CD2 3.16Å
116	S	97.1	Very high	97.3	Very high	85 Å²	85	57.6 Å²	57.6	59%	0.594	30%	0.304	S	S	*	.			trans	-86.8	120.4	167.9	-179.3	0	0	0	0	109.1	S37	S37-S116 PolarHBondContact O-OG 3.15Å
117	H	98.3	Very high	97.2	Very high	16 Å²	16	56.3 Å²	56.3	7%	0.074	30%	0.297	C	S	.	.			trans	-121	152.5	-178.5	-60.6	-80.1	0	0	0	112.5	S37 L102 L106 Q111 G115 Y142 D143	S37-H117 PolarHBondContact N-O 3.4Å; S37-H117 WeakPolarHBondContact OG-CA 3.33Å; S37-H117 PolarHBondContact OG-N 3.49Å; S37-H117 PolarHBondContact OG-O 2.97Å; L102-H117 HydrophobicContact CD2-CB 4.16Å; L106-H117 WeakPolarHBondContact CD2-CD2 3.32Å; L106-H117 WeakPolarHBondContact CD2-NE2 3.5Å; Q111-H117 VanDerWaalsContact CD-CE1 3.41Å; Q111-H117 PolarHBondContact NE2-CE1 2.84Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; G115-H117 PolarHBondContact O-CD2 3.16Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.31Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.86Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.35Å; H117-D143 IonicContact CE1-OD2 3.82Å; H117-D143 IonicContact CG-OD1 2.69Å; H117-D143 IonicContact CG-OD2 3.46Å; H117-D143 IonicContact ND1-OD1 3.62Å; H117-D143 IonicContact ND1-OD2 2.74Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å
118	T	98.6	Very high	97.1	Very high	36 Å²	36	48.9 Å²	48.9	22%	0.221	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.7	-176.2	-54.1	0	0	0	0	111	T34 A35 M36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4Å; A35-T118 CarbonylContact O-C 3.54Å; A35-T118 WeakPolarHBondContact O-CA 3.28Å; M36-T118 HydrophobicContact CG-CG2 4.09Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; T118-D143 PolarHBondContact N-OD1 3.43Å; T118-D143 PolarHBondContact O-N 2.96Å
119	W	98.6	Very high	96.7	Very high	10 Å²	10	51.2 Å²	51.2	4%	0.038	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.2	174.3	-172.1	-76.5	0	0	0	109.7	A35 Y98 N101 L102 A105 L140 Y142 Y147	A35-W119 HydrophobicContact CB-CB 4.4Å; A35-W119 PolarHBondContact N-O 3.37Å; A35-W119 PolarHBondContact O-N 3.21Å; Y98-W119 AromaticContact CD1-CD1 3.28Å; Y98-W119 HydrophobicContact CD1-CG 4.16Å; Y98-W119 AromaticContact CD1-NE1 3.98Å; Y98-W119 AromaticContact CE1-CD1 3.36Å; Y98-W119 AromaticContact CE1-NE1 3.81Å; N101-W119 HydrophobicContact CB-CD2 4.14Å; N101-W119 HydrophobicContact CB-CE3 4.47Å; N101-W119 HydrophobicContact CB-CZ2 4.29Å; L102-W119 HydrophobicContact CD2-CB 3.8Å; L102-W119 HydrophobicContact CG-CB 4.1Å; A105-W119 HydrophobicContact CB-CE3 4.18Å; A105-W119 HydrophobicContact CB-CZ3 3.89Å; W119-L140 HydrophobicContact CZ2-CD2 3.6Å; W119-Y142 AromaticContact CE3-CD2 3.56Å; W119-Y142 HydrophobicContact CE3-CD2 3.56Å; W119-Y142 HydrophobicContact CE3-CE2 4.27Å; W119-Y142 HydrophobicContact CE3-CG 4.15Å; W119-Y142 HydrophobicContact CZ3-CD2 4.11Å; W119-Y142 HydrophobicContact CZ3-CG 4.3Å; W119-Y147 AromaticContact CH2-CD1 3.62Å; W119-Y147 HydrophobicContact CH2-CD1 3.62Å; W119-Y147 AromaticContact CH2-CE1 3.51Å; W119-Y147 HydrophobicContact CH2-CE1 3.51Å; W119-Y147 HydrophobicContact CH2-CE2 4.46Å; W119-Y147 HydrophobicContact CH2-CG 4.18Å; W119-Y147 AromaticContact CH2-CZ 3.96Å; W119-Y147 HydrophobicContact CZ2-CD1 4.18Å; W119-Y147 HydrophobicContact CZ2-CE1 4.28Å; W119-Y147 HydrophobicContact CZ3-CD1 4.39Å; W119-Y147 HydrophobicContact CZ3-CE1 4.37Å
120	Q	98.8	Very high	96.2	Very high	71 Å²	71	52.9 Å²	52.9	33%	0.332	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	148.7	-175.5	-68.9	169.2	-82.3	0	0	111.3	H33 T34 T118 L140 A141	H33-Q120 CarbonylContact O-C 3.54Å; H33-Q120 VanDerWaalsContact O-CA 3.23Å; H33-Q120 WeakPolarHBondContact O-CA 3.3Å; T34-Q120 HydrophobicContact CG2-CG 4.12Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-L140 CarbonylContact O-C 3.6Å; Q120-L140 VanDerWaalsContact O-CA 3.25Å; Q120-L140 WeakPolarHBondContact O-CA 3.17Å; Q120-A141 HydrophobicContact CB-CB 4.27Å; Q120-A141 PolarHBondContact N-O 3.4Å; Q120-A141 PolarHBondContact O-N 2.8Å
121	R	98.6	Very high	95.8	Very high	46 Å²	46	46.5 Å²	46.5	17%	0.174	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136.1	170.2	-176.7	-174.1	-178.6	-160.3	-0.7	109.7	F32 H33 Y98 Y123 N138 Q139 L140	F32-R121 WeakPolarHBondContact CA-O 3.36Å; H33-R121 HydrophobicContact CB-CB 4.17Å; H33-R121 PolarHBondContact N-O 2.72Å; H33-R121 PolarHBondContact O-N 3.05Å; Y98-R121 HydrophobicContact CE1-CB 4.22Å; Y98-R121 WeakPolarHBondContact OH-CB 3.39Å; Y98-R121 WeakPolarHBondContact OH-CD 3.49Å; R121-Y123 HydrophobicContact CG-CD1 4.17Å; R121-N138 PolarHBondContact NE-OD1 3.27Å; R121-N138 PolarHBondContact NH2-OD1 2.78Å; R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; R121-L140 HydrophobicContact CB-CG 4.19Å; R121-L140 HydrophobicContact CG-CD1 4.19Å; R121-L140 HydrophobicContact CG-CG 4.01Å
122	M	98.8	Very high	95.7	Very high	20 Å²	20	51.7 Å²	51.7	10%	0.099	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.8	162.5	-177.7	-78.6	-78.2	0	0	108.3	Y31 F32 Y137 N138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.47Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.72Å; F32-M122 HydrophobicContact CE1-CB 4.03Å; F32-M122 HydrophobicContact CE1-CG 3.38Å; F32-M122 HydrophobicContact CZ-CG 3.97Å; M122-Y137 HydrophobicContact CE-CD1 4.19Å; M122-Y137 HydrophobicContact CE-CG 4.21Å; M122-N138 WeakPolarHBondContact O-CA 3.38Å; M122-Q139 HydrophobicContact CB-CG 3.99Å; M122-Q139 VanDerWaalsContact CE-CD 3.41Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.81Å
123	Y	98.7	Very high	95.8	Very high	26 Å²	26	50.3 Å²	50.3	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	158	171.1	71.2	-80.8	0	0	0	110.5	Y31 H33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.45Å; Y31-Y123 AromaticContact CD2-CE2 3.87Å; Y31-Y123 HydrophobicContact CD2-CE2 3.87Å; Y31-Y123 AromaticContact CD2-CZ 3.85Å; Y31-Y123 HydrophobicContact CG-CE1 4.28Å; Y31-Y123 HydrophobicContact CG-CE2 4.32Å; Y31-Y123 AromaticContact CG-CZ 3.83Å; Y31-Y123 PolarHBondContact N-O 3.24Å; Y31-Y123 PolarHBondContact O-N 3.42Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; H33-Y123 AromaticContact CE1-CE1 3.48Å; H33-Y123 VanDerWaalsContact CE1-CE1 3.48Å; H33-Y123 WeakPolarHBondContact CE1-CE1 3.33Å; H33-Y123 AromaticContact NE2-CE1 3.55Å; R121-Y123 HydrophobicContact CG-CD1 4.17Å; Y123-Y137 WeakPolarHBondContact CA-O 3.48Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.48Å; Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.77Å; Y123-Y183 HydrophobicContact CE2-CE1 3.77Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å
124	G	98.6	Very high	95.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.6	-176.1	-176.7	0	0	0	0	0	113.5	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.29Å; G124-Y137 PolarHBondContact N-O 3.16Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.23Å; G124-L184 WeakPolarHBondContact O-CD2 3.25Å
125	C	98.6	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.3	-176.4	51.5	0	0	0	0	111	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.32Å; M29-C125 PolarHBondContact N-O 2.84Å; M29-C125 PolarHBondContact O-N 2.6Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.45Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.42Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.2Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.96Å
126	D	98.2	Very high	96.3	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.6	171	-61	-9.4	0	0	0	108.9	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.54Å; H27-D126 WeakPolarHBondContact O-CA 3.15Å; S28-D126 WeakPolarHBondContact CB-OD1 3.32Å; R30-D126 IonicContact CZ-OD1 3.43Å; R30-D126 IonicContact NE-OD1 2.79Å; R30-D126 PolarHBondContact NE-OD1 3.47Å; R30-D126 VanDerWaalsContact NH2-CG 3.27Å; R30-D126 IonicContact NH2-OD1 3.61Å; R30-D126 PolarHBondContact NH2-OD1 3.35Å; R30-D126 IonicContact NH2-OD2 3.73Å; R30-D126 PolarHBondContact NH2-OD2 3.16Å; D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 3.19Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.27Å; D126-R135 PolarHBondContact O-N 3.28Å; D126-Y137 HydrophobicContact CB-CE2 4.48Å; D126-Y137 VanDerWaalsContact CG-CE2 3.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.14Å
127	L	96.9	Very high	96.3	Very high	3 Å²	3	45 Å²	45	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	142.2	174.1	-55.1	-176.9	0	0	0	110.2	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.27Å; S26-L127 WeakPolarHBondContact CA-O 3.16Å; S26-L127 WeakPolarHBondContact CB-O 3.39Å; H27-L127 PolarHBondContact N-O 3.31Å; H27-L127 PolarHBondContact O-N 3.25Å; L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.13Å; L127-V189 HydrophobicContact CD1-CG1 4.28Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.71Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.16Å; L127-L192 HydrophobicContact CD1-CD2 3.63Å; L127-L192 HydrophobicContact CD1-CG 3.71Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; L127-R193 HydrophobicContact CD1-CG 3.94Å
128	G	93.6	Very high	96.4	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	22%	0.218	C	C	.	.			trans	-80.9	178.2	170.4	0	0	0	0	0	111.8	D130 G131 R132 L134	G128-D130 PolarHBondContact O-N 2.88Å; G128-D130 VanDerWaalsContact O-N 3.14Å; G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 2.78Å; G128-R132 PolarHBondContact N-O 3.02Å; G128-L134 VanDerWaalsContact N-CG 3.34Å
129	P	89.5	Confident	96.3	Very high	96 Å²	96	46.5 Å²	46.5	62%	0.623	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.9	177.9	-24.4	34.8	0	0	0	114.3	G25 G131	G25-P129 VanDerWaalsContact O-CA 3.28Å; G25-P129 WeakPolarHBondContact O-CA 3.37Å; P129-G131 PolarHBondContact O-N 3.46Å
130	D	88.8	Confident	96.3	Very high	99 Å²	99	46.4 Å²	46.4	53%	0.529	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.4	173.9	70.4	-13	0	0	0	113.3	G128 R132	G128-D130 PolarHBondContact O-N 2.88Å; G128-D130 VanDerWaalsContact O-N 3.14Å; D130-R132 PolarHBondContact O-N 3.38Å; D130-R132 WeakPolarHBondContact OD1-CB 3.06Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 WeakPolarHBondContact OD2-CG 3.21Å; D130-R132 IonicContact OD2-NE 3.71Å
131	G	88.6	Confident	96.3	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	22%	0.216	C	C	.	.	S	Bend	trans	72.2	8.5	-178.3	0	0	0	0	0	114.2	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 2.78Å; P129-G131 PolarHBondContact O-N 3.46Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.43Å; G131-R193 PolarHBondContact O-NH2 2.63Å
132	R	93.6	Very high	96.3	Very high	172 Å²	172	42.1 Å²	42.1	65%	0.649	21%	0.21	S	C	*	.			trans	-87.5	153.9	178.9	-62.2	-173.9	-176.7	167.6	-2.5	111.3	L127 G128 D130 L134	L127-R132 VanDerWaalsContact CA-O 3.25Å; L127-R132 WeakPolarHBondContact CA-O 3.13Å; G128-R132 PolarHBondContact N-O 3.02Å; D130-R132 PolarHBondContact O-N 3.38Å; D130-R132 WeakPolarHBondContact OD1-CB 3.06Å; D130-R132 PolarHBondContact OD1-N 3.45Å; D130-R132 WeakPolarHBondContact OD2-CD 3.21Å; D130-R132 WeakPolarHBondContact OD2-CG 3.21Å; D130-R132 IonicContact OD2-NE 3.71Å; R132-L134 PolarHBondContact O-N 2.85Å
133	L	96.9	Very high	96.3	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	120	175.1	-176.3	73	0	0	0	109.8	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; L133-L154 HydrophobicContact CD2-CD1 4.16Å; L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.61Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å
134	L	96.3	Very high	96.3	Very high	112 Å²	112	45.7 Å²	45.7	59%	0.586	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	-44.9	167.9	-70.6	177.8	0	0	0	110.8	D126 G128 R132	D126-L134 HydrophobicContact CB-CB 4.46Å; D126-L134 PolarHBondContact O-N 3.19Å; G128-L134 VanDerWaalsContact N-CG 3.34Å; R132-L134 PolarHBondContact O-N 2.85Å
135	R	96.8	Very high	96.3	Very high	93 Å²	93	53.4 Å²	53.4	35%	0.351	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	140.2	-175.4	-172.4	162	170	150	9.1	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.45Å; C125-R135 WeakPolarHBondContact CA-O 3.22Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.27Å; D126-R135 PolarHBondContact O-N 3.28Å; L133-R135 WeakPolarHBondContact CD1-O 3.4Å; R135-Y137 HydrophobicContact CB-CE2 3.98Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.26Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å; R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 VanDerWaalsContact CZ-CG 3.48Å; R135-E152 IonicContact CZ-OE1 3.98Å; R135-E152 IonicContact NH1-OE1 2.95Å; R135-E152 PolarHBondContact NH1-OE1 3.35Å; R135-E152 IonicContact NH1-OE2 3.55Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 3.74Å; R135-E152 PolarHBondContact NH2-OE1 2.84Å
136	G	98.1	Very high	96.3	Very high	5 Å²	5	59.3 Å²	59.3	5%	0.052	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150.4	168.7	0	0	0	0	0	111.2
137	Y	98.4	Very high	96.3	Very high	41 Å²	41	58 Å²	58	16%	0.161	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.7	180	-55.2	-97.9	0	0	0	110.5	R30 M122 Y123 G124 D126 R135	R30-Y137 PolarHBondContact NH2-OH 3.25Å; M122-Y137 HydrophobicContact CE-CD1 4.19Å; M122-Y137 HydrophobicContact CE-CG 4.21Å; Y123-Y137 WeakPolarHBondContact CA-O 3.48Å; Y123-Y137 VanDerWaalsContact CB-O 3.25Å; Y123-Y137 WeakPolarHBondContact CB-O 3.48Å; G124-Y137 PolarHBondContact N-O 3.16Å; G124-Y137 VanDerWaalsContact N-O 3.1Å; G124-Y137 PolarHBondContact O-N 3.23Å; D126-Y137 HydrophobicContact CB-CE2 4.48Å; D126-Y137 VanDerWaalsContact CG-CE2 3.5Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 3.14Å; R135-Y137 HydrophobicContact CB-CE2 3.98Å; R135-Y137 VanDerWaalsContact CD-CZ 3.42Å; R135-Y137 VanDerWaalsContact CD-OH 3.24Å; R135-Y137 WeakPolarHBondContact CD-OH 3.26Å; R135-Y137 HydrophobicContact CG-CD2 4.34Å; R135-Y137 HydrophobicContact CG-CE1 4.02Å; R135-Y137 HydrophobicContact CG-CE2 3.68Å
138	N	98.6	Very high	96.4	Very high	4 Å²	4	58 Å²	58	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	103.9	161.4	-178.8	31.4	0	0	0	109	R121 M122 L150 L180	R121-N138 PolarHBondContact NE-OD1 3.27Å; R121-N138 PolarHBondContact NH2-OD1 2.78Å; M122-N138 WeakPolarHBondContact O-CA 3.38Å; N138-L150 HydrophobicContact CB-CB 3.97Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 PolarHBondContact O-N 3.38Å; N138-L180 WeakPolarHBondContact ND2-CD1 3.32Å
139	Q	98.4	Very high	96.6	Very high	79 Å²	79	59.4 Å²	59.4	37%	0.369	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	139.1	-177.4	63	-168.8	57.4	0	0	110.8	R121 M122 A149	R121-Q139 CarbonylContact C-O 3.55Å; R121-Q139 VanDerWaalsContact CA-O 3.27Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; M122-Q139 HydrophobicContact CB-CG 3.99Å; M122-Q139 VanDerWaalsContact CE-CD 3.41Å; M122-Q139 HydrophobicContact CE-CG 3.93Å; M122-Q139 PolarHBondContact N-O 3.21Å; M122-Q139 PolarHBondContact O-N 2.81Å; Q139-A149 HydrophobicContact CB-CB 4.06Å
140	L	98.6	Very high	97.1	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.9	-178.5	-66.8	79.5	0	0	0	109.5	W119 Q120 R121 Y147 I148 W171	W119-L140 HydrophobicContact CZ2-CD2 3.6Å; Q120-L140 CarbonylContact O-C 3.6Å; Q120-L140 VanDerWaalsContact O-CA 3.25Å; Q120-L140 WeakPolarHBondContact O-CA 3.17Å; R121-L140 HydrophobicContact CB-CG 4.19Å; R121-L140 HydrophobicContact CG-CD1 4.19Å; R121-L140 HydrophobicContact CG-CG 4.01Å; L140-Y147 WeakPolarHBondContact O-CB 3.45Å; L140-Y147 PolarHBondContact O-N 2.67Å; L140-I148 HydrophobicContact CB-CG2 4.2Å; L140-I148 HydrophobicContact CD1-CG2 4.14Å; L140-I148 PolarHBondContact N-O 2.88Å; L140-I148 PolarHBondContact O-N 3.5Å; L140-W171 HydrophobicContact CD1-CH2 3.82Å; L140-W171 HydrophobicContact CD1-CZ3 4.21Å; L140-W171 HydrophobicContact CD2-CH2 3.83Å; L140-W171 HydrophobicContact CD2-CZ2 4.47Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	52.9 Å²	52.9	13%	0.132	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.7	177	0	0	0	0	0	110.7	Q120 K145	Q120-A141 HydrophobicContact CB-CB 4.27Å; Q120-A141 PolarHBondContact N-O 3.4Å; Q120-A141 PolarHBondContact O-N 2.8Å; A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 WeakPolarHBondContact CB-O 3.2Å
142	Y	98.6	Very high	98	Very high	10 Å²	10	58.3 Å²	58.3	4%	0.039	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.8	176.1	-175.4	-121.6	0	0	0	109.8	L102 A105 Y109 Q111 H117 T118 W119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.17Å; A105-Y142 HydrophobicContact CB-CD1 4.38Å; A105-Y142 HydrophobicContact CB-CD2 4.08Å; A105-Y142 HydrophobicContact CB-CE1 3.94Å; A105-Y142 HydrophobicContact CB-CE2 3.62Å; A105-Y142 HydrophobicContact CB-CG 4.43Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.48Å; Y109-Y142 HydrophobicContact CE2-CD1 3.48Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.48Å; Y109-Y142 AromaticContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CE1 3.81Å; Y109-Y142 HydrophobicContact CE2-CG 4.43Å; Y109-Y142 HydrophobicContact CG-CE1 4.32Å; Q111-Y142 PolarHBondContact OE1-OH 2.9Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.31Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.86Å; H117-Y142 PolarHBondContact ND1-OH 3.4Å; T118-Y142 WeakPolarHBondContact O-CA 3.45Å; T118-Y142 VanDerWaalsContact O-CD2 3.26Å; T118-Y142 WeakPolarHBondContact O-CD2 3.38Å; W119-Y142 AromaticContact CE3-CD2 3.56Å; W119-Y142 HydrophobicContact CE3-CD2 3.56Å; W119-Y142 HydrophobicContact CE3-CE2 4.27Å; W119-Y142 HydrophobicContact CE3-CG 4.15Å; W119-Y142 HydrophobicContact CZ3-CD2 4.11Å; W119-Y142 HydrophobicContact CZ3-CG 4.3Å; Y142-G144 PolarHBondContact O-N 2.84Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 2.61Å
143	D	98.2	Very high	98.2	Very high	61 Å²	61	54 Å²	54	33%	0.326	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	40.5	-175.2	-67	-20.9	0	0	0	113.6	H117 T118 K145	H117-D143 WeakPolarHBondContact CA-OD1 3.48Å; H117-D143 WeakPolarHBondContact CB-OD1 3.35Å; H117-D143 IonicContact CE1-OD2 3.82Å; H117-D143 IonicContact CG-OD1 2.69Å; H117-D143 IonicContact CG-OD2 3.46Å; H117-D143 IonicContact ND1-OD1 3.62Å; H117-D143 IonicContact ND1-OD2 2.74Å; H117-D143 PolarHBondContact ND1-OD2 2.94Å; T118-D143 PolarHBondContact N-OD1 3.43Å; T118-D143 PolarHBondContact O-N 2.96Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 2.64Å
144	G	97.4	Very high	98.2	Very high	61 Å²	61	52 Å²	52	63%	0.629	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	6.9	178.3	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 2.84Å
145	K	98.5	Very high	98.3	Very high	161 Å²	161	49.9 Å²	49.9	70%	0.7	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	146.2	175.8	-62.5	-179.9	-178.2	178	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.56Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 WeakPolarHBondContact CB-O 3.2Å; Y142-K145 PolarHBondContact N-O 3.46Å; Y142-K145 PolarHBondContact O-N 2.61Å; D143-K145 VanDerWaalsContact C-N 3.27Å; D143-K145 PolarHBondContact O-N 2.64Å; K145-Y147 PolarHBondContact O-N 2.77Å
146	D	98.7	Very high	98.4	Very high	124 Å²	124	47.2 Å²	47.2	66%	0.663	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.4	136.6	174.3	-68.6	-24.6	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å
147	Y	98.7	Very high	98.4	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.012	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-64.8	178.4	-178.5	-103.6	0	0	0	110	Y108 Y109 W119 L140 K145 A160 A163 A164 T167	Y108-Y147 WeakPolarHBondContact CD2-OH 3.22Å; Y109-Y147 HydrophobicContact CE2-CD2 4.29Å; Y109-Y147 AromaticContact CE2-CE2 3.94Å; Y109-Y147 HydrophobicContact CE2-CE2 3.94Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.25Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.44Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.46Å; W119-Y147 AromaticContact CH2-CD1 3.62Å; W119-Y147 HydrophobicContact CH2-CD1 3.62Å; W119-Y147 AromaticContact CH2-CE1 3.51Å; W119-Y147 HydrophobicContact CH2-CE1 3.51Å; W119-Y147 HydrophobicContact CH2-CE2 4.46Å; W119-Y147 HydrophobicContact CH2-CG 4.18Å; W119-Y147 AromaticContact CH2-CZ 3.96Å; W119-Y147 HydrophobicContact CZ2-CD1 4.18Å; W119-Y147 HydrophobicContact CZ2-CE1 4.28Å; W119-Y147 HydrophobicContact CZ3-CD1 4.39Å; W119-Y147 HydrophobicContact CZ3-CE1 4.37Å; L140-Y147 WeakPolarHBondContact O-CB 3.45Å; L140-Y147 PolarHBondContact O-N 2.67Å; K145-Y147 PolarHBondContact O-N 2.77Å; Y147-A160 WeakPolarHBondContact O-CB 3.35Å; Y147-A160 PolarHBondContact O-N 3.14Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.16Å; Y147-A164 HydrophobicContact CD1-CB 4.35Å; Y147-A164 HydrophobicContact CD2-CB 3.93Å; Y147-A164 HydrophobicContact CE1-CB 4.24Å; Y147-A164 HydrophobicContact CE2-CB 3.84Å; Y147-A164 HydrophobicContact CG-CB 4.19Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.23Å
148	I	98.7	Very high	98.4	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	141.8	177.9	-162.2	172.9	0	0	0	110.5	L140 W157 T158 T167 Q168 W171	L140-I148 HydrophobicContact CB-CG2 4.2Å; L140-I148 HydrophobicContact CD1-CG2 4.14Å; L140-I148 PolarHBondContact N-O 2.88Å; L140-I148 PolarHBondContact O-N 3.5Å; I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.34Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; I148-Q168 HydrophobicContact CD1-CB 3.84Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.33Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å
149	A	98.8	Very high	98.4	Very high	31 Å²	31	50.3 Å²	50.3	26%	0.256	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.7	178.2	0	0	0	0	0	111.6	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 4.06Å; A149-W157 WeakPolarHBondContact O-CA 3.41Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.06Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	49.4 Å²	49.4	7%	0.073	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.2	167.3	-176.2	68.1	0	0	0	108.5	N138 L154 W157 A177 L180 L184	N138-L150 HydrophobicContact CB-CB 3.97Å; N138-L150 HydrophobicContact CB-CD2 4.22Å; N138-L150 PolarHBondContact O-N 3.38Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.28Å; L150-W157 HydrophobicContact CB-CZ3 3.72Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 4.04Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; L150-A177 HydrophobicContact CD1-CB 4.02Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	31%	0.305	C	S	.	.			trans	-72.8	164.7	-179.7	-67.8	-26.5	0	0	0	111.5	D153 L154 S156 W157 T158	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.11Å; N151-L154 PolarHBondContact O-N 3.01Å; N151-S156 WeakPolarHBondContact CB-O 3.39Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.33Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; N151-W157 PolarHBondContact ND2-N 3.39Å; N151-T158 PolarHBondContact ND2-OG1 2.96Å; N151-T158 WeakPolarHBondContact OD1-CB 2.95Å; N151-T158 PolarHBondContact OD1-OG1 3.42Å
152	E	97.8	Very high	98.4	Very high	132 Å²	132	56 Å²	56	62%	0.617	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.4	-178.6	-67.4	-179.6	-165.8	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.43Å; R135-E152 VanDerWaalsContact CZ-CG 3.48Å; R135-E152 IonicContact CZ-OE1 3.98Å; R135-E152 IonicContact NH1-OE1 2.95Å; R135-E152 PolarHBondContact NH1-OE1 3.35Å; R135-E152 IonicContact NH1-OE2 3.55Å; R135-E152 VanDerWaalsContact NH2-CG 3.27Å; R135-E152 IonicContact NH2-OE1 3.74Å; R135-E152 PolarHBondContact NH2-OE1 2.84Å; E152-L154 PolarHBondContact O-N 2.91Å
153	D	97.6	Very high	98.3	Very high	81 Å²	81	55.7 Å²	55.7	43%	0.433	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-6.7	175.4	67.3	22.9	0	0	0	114.1	N151 S155 S156	N151-D153 PolarHBondContact O-N 3.32Å; N151-D153 VanDerWaalsContact O-N 3.11Å; D153-S155 PolarHBondContact O-N 2.94Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; D153-S155 PolarHBondContact OD2-OG 3.19Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.98Å; D153-S156 PolarHBondContact OD1-OG 3.01Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
154	L	98.1	Very high	98.3	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.042	32%	0.315	C	S	.	.	S	Bend	trans	53.8	27.9	-176.9	-52.5	-177.9	0	0	0	114.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.16Å; L150-L154 HydrophobicContact CD2-CD2 3.79Å; L150-L154 HydrophobicContact CG-CD2 4.34Å; N151-L154 PolarHBondContact O-N 3.01Å; E152-L154 PolarHBondContact O-N 2.91Å; L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 4.01Å; L154-R181 HydrophobicContact CD1-CG 4.35Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L154-E185 HydrophobicContact CD1-CG 4.21Å
155	S	97.9	Very high	98.4	Very high	69 Å²	69	53.5 Å²	53.5	48%	0.483	30%	0.302	S	S	.	.	S	Bend	trans	-138.5	-25.7	-175	68.9	0	0	0	0	113.5	D153	D153-S155 PolarHBondContact O-N 2.94Å; D153-S155 VanDerWaalsContact O-N 3.15Å; D153-S155 WeakPolarHBondContact OD1-CA 3.49Å; D153-S155 PolarHBondContact OD1-N 3.3Å; D153-S155 PolarHBondContact OD1-OG 2.88Å; D153-S155 PolarHBondContact OD2-OG 3.19Å
156	S	98.1	Very high	98.4	Very high	37 Å²	37	48.9 Å²	48.9	26%	0.259	28%	0.284	S	S	.	.			trans	-119.3	165.2	-178.3	70.1	0	0	0	0	112.3	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.39Å; N151-S156 WeakPolarHBondContact CB-OG 3.46Å; N151-S156 PolarHBondContact N-O 3.33Å; N151-S156 PolarHBondContact ND2-OG 3.05Å; D153-S156 VanDerWaalsContact CG-OG 3.26Å; D153-S156 PolarHBondContact OD1-N 2.98Å; D153-S156 PolarHBondContact OD1-OG 3.01Å; D153-S156 WeakPolarHBondContact OD2-CB 3.39Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
157	W	98.8	Very high	98.4	Very high	13 Å²	13	43.8 Å²	43.8	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	145.9	-174.3	-60.2	95.5	0	0	0	111.6	I148 A149 L150 N151 Q168 W171 E176 A177 L180	I148-W157 HydrophobicContact CD1-CB 4.26Å; I148-W157 HydrophobicContact CD1-CD2 4.41Å; I148-W157 HydrophobicContact CD1-CE3 4.19Å; I148-W157 HydrophobicContact CD1-CG 4.46Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 WeakPolarHBondContact O-CA 3.41Å; L150-W157 HydrophobicContact CB-CE3 4.06Å; L150-W157 HydrophobicContact CB-CH2 4.28Å; L150-W157 HydrophobicContact CB-CZ3 3.72Å; L150-W157 HydrophobicContact CD1-CD2 4.25Å; L150-W157 HydrophobicContact CD1-CE3 4.24Å; L150-W157 HydrophobicContact CD1-CH2 4.07Å; L150-W157 HydrophobicContact CD1-CZ2 4.04Å; L150-W157 HydrophobicContact CD1-CZ3 4.14Å; N151-W157 PolarHBondContact ND2-N 3.39Å; W157-Q168 HydrophobicContact CB-CG 4.02Å; W157-Q168 PolarHBondContact O-NE2 2.63Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.3Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.44Å; W157-W171 AromaticContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CZ2-CB 4.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.29Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.44Å; W157-W171 HydrophobicContact CZ3-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.44Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-E176 HydrophobicContact CZ2-CB 4.16Å; W157-A177 HydrophobicContact CZ2-CB 4.18Å; W157-L180 HydrophobicContact CH2-CD1 3.32Å; W157-L180 HydrophobicContact CZ2-CD1 3.81Å; W157-L180 HydrophobicContact CZ3-CD1 4.41Å
158	T	98.7	Very high	98.4	Very high	78 Å²	78	45.5 Å²	45.5	48%	0.479	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	115.2	165.9	-65.4	0	0	0	0	109.1	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.34Å; A149-T158 PolarHBondContact N-O 3.19Å; A149-T158 PolarHBondContact O-N 3.06Å; N151-T158 PolarHBondContact ND2-OG1 2.96Å; N151-T158 WeakPolarHBondContact OD1-CB 2.95Å; N151-T158 PolarHBondContact OD1-OG1 3.42Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	132.8	174.5	0	0	0	0	0	110.6	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.78Å; A159-Q165 HydrophobicContact CB-CG 3.93Å; A159-Q168 HydrophobicContact CB-CB 4.45Å
160	A	98.5	Very high	98.4	Very high	61 Å²	61	56.8 Å²	56.8	50%	0.504	31%	0.305	S	S	.	.	S	Bend	trans	-75.9	-29.8	-176.7	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.29Å; D146-A160 WeakPolarHBondContact O-CB 3.39Å; Y147-A160 WeakPolarHBondContact O-CB 3.35Å; Y147-A160 PolarHBondContact O-N 3.14Å
161	D	98.3	Very high	98.3	Very high	51 Å²	51	58.9 Å²	58.9	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-151.3	-177.1	-178.2	66.5	31	0	0	0	113	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.42Å; Y109-D161 VanDerWaalsContact OH-CG 3.27Å; Y109-D161 PolarHBondContact OH-OD1 2.85Å; Y109-D161 PolarHBondContact OH-OD2 2.93Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.79Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 3.25Å; D161-A163 PolarHBondContact OD1-N 2.89Å; D161-A164 PolarHBondContact O-N 2.87Å; D161-A164 PolarHBondContact OD1-N 2.89Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.83Å
162	T	98.2	Very high	98.3	Very high	110 Å²	110	61.3 Å²	61.3	68%	0.675	32%	0.322	S	S	*	.	H	α-helix	trans	-65.9	-27.4	-179.2	51.9	0	0	0	0	113.9
163	A	98	Very high	98.4	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-72.2	-45	175.3	0	0	0	0	0	110	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CD1-CB 4.19Å; Y109-A163 HydrophobicContact CD2-CB 4.43Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.46Å; Y147-A163 HydrophobicContact CE2-CB 4.42Å; Y147-A163 PolarHBondContact OH-O 3.16Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.79Å; D161-A163 WeakPolarHBondContact OD1-CA 3.39Å; D161-A163 WeakPolarHBondContact OD1-CB 3.25Å; D161-A163 PolarHBondContact OD1-N 2.89Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.04Å; A163-I166 VanDerWaalsContact O-CB 3.29Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.9Å
164	A	98.4	Very high	98.4	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-33.5	174.2	0	0	0	0	0	113.2	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD1-CB 4.35Å; Y147-A164 HydrophobicContact CD2-CB 3.93Å; Y147-A164 HydrophobicContact CE1-CB 4.24Å; Y147-A164 HydrophobicContact CE2-CB 3.84Å; Y147-A164 HydrophobicContact CG-CB 4.19Å; Y147-A164 WeakPolarHBondContact O-CB 3.32Å; A159-A164 HydrophobicContact CB-CB 3.78Å; D161-A164 PolarHBondContact O-N 2.87Å; D161-A164 PolarHBondContact OD1-N 2.89Å; A164-I166 PolarHBondContact O-N 2.78Å; A164-T167 WeakPolarHBondContact O-CA 3.17Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 3.13Å; A164-Q168 PolarHBondContact O-N 3.32Å
165	Q	98.7	Very high	98.4	Very high	76 Å²	76	64.9 Å²	64.9	36%	0.355	35%	0.353	S	S	.	.	H	α-helix	trans	-59.9	-28.5	173.1	-74.1	174.1	12.1	0	0	113	A159 D161 A163 Q168 R169	A159-Q165 HydrophobicContact CB-CG 3.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.26Å; D161-Q165 PolarHBondContact O-N 2.83Å; A163-Q165 VanDerWaalsContact C-N 3.28Å; A163-Q165 PolarHBondContact O-N 3.04Å; Q165-Q168 PolarHBondContact O-N 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.34Å; Q165-R169 PolarHBondContact O-N 2.82Å; Q165-R169 VanDerWaalsContact O-N 3.12Å
166	I	98.4	Very high	98.4	Very high	64 Å²	64	64.5 Å²	64.5	33%	0.328	34%	0.343	S	S	.	.	H	α-helix	trans	-66.9	-43.9	173.9	-56.3	170.6	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.21Å; Y108-I166 HydrophobicContact CE1-CD1 4.32Å; Y108-I166 HydrophobicContact CE1-CG2 4.11Å; Y108-I166 HydrophobicContact CE2-CB 4.11Å; Y108-I166 HydrophobicContact CE2-CG2 4.1Å; Y108-I166 HydrophobicContact CG-CD1 4.34Å; Y108-I166 WeakPolarHBondContact OH-CG2 3.45Å; A163-I166 VanDerWaalsContact O-CB 3.29Å; A163-I166 WeakPolarHBondContact O-CB 3.45Å; A163-I166 PolarHBondContact O-N 2.9Å; A164-I166 PolarHBondContact O-N 2.78Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 2.9Å
167	T	98.3	Very high	98.4	Very high	17 Å²	17	63.2 Å²	63.2	10%	0.104	34%	0.335	C	S	.	.	H	α-helix	trans	-63.9	-44.7	174.4	-66.7	0	0	0	0	111.3	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 3.23Å; I148-T167 HydrophobicContact CD1-CG2 4.24Å; A164-T167 WeakPolarHBondContact O-CA 3.17Å; A164-T167 WeakPolarHBondContact O-CB 3.37Å; A164-T167 PolarHBondContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 3.4Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.49Å; T167-K170 VanDerWaalsContact O-N 3.13Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.13Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.36Å; T167-W171 HydrophobicContact CG2-CZ2 3.93Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 2.86Å
168	Q	98.7	Very high	98.4	Very high	39 Å²	39	67.8 Å²	67.8	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-52.5	-52.8	177.4	177.2	174.4	5.2	0	0	111.7	I148 W157 A159 A164 Q165 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.84Å; W157-Q168 HydrophobicContact CB-CG 4.02Å; W157-Q168 PolarHBondContact O-NE2 2.63Å; A159-Q168 HydrophobicContact CB-CB 4.45Å; A164-Q168 PolarHBondContact O-N 3.32Å; Q165-Q168 PolarHBondContact O-N 3.31Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.28Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.88Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.88Å
169	R	98.7	Very high	98.3	Very high	156 Å²	156	69.9 Å²	69.9	59%	0.589	36%	0.361	S	S	*	.	H	α-helix	trans	-59.8	-38.2	179.8	-68	171.8	-165.4	156.4	7.8	112.6	Q165 T167 A173	Q165-R169 WeakPolarHBondContact O-CG 3.34Å; Q165-R169 PolarHBondContact O-N 2.82Å; Q165-R169 VanDerWaalsContact O-N 3.12Å; T167-R169 PolarHBondContact O-N 3.4Å; R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.2Å; R169-A173 PolarHBondContact O-N 2.84Å
170	K	98.3	Very high	98.3	Very high	116 Å²	116	70 Å²	70	50%	0.504	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-45.1	176.1	-72.8	177.7	174.5	-176.2	0	111.3	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.43Å; I166-K170 WeakPolarHBondContact O-CG 3.23Å; I166-K170 PolarHBondContact O-N 2.9Å; T167-K170 WeakPolarHBondContact O-CB 3.46Å; T167-K170 PolarHBondContact O-N 3.49Å; T167-K170 VanDerWaalsContact O-N 3.13Å; Q168-K170 VanDerWaalsContact C-N 3.28Å; Q168-K170 PolarHBondContact O-N 3.28Å; K170-A173 PolarHBondContact O-N 2.94Å; K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 3.03Å
171	W	98.4	Very high	98.3	Very high	58 Å²	58	72.1 Å²	72.1	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-36.1	-178.9	-74.9	4.2	0	0	0	112.9	L140 I148 W157 T167 Q168 A174 R175 E176	L140-W171 HydrophobicContact CD1-CH2 3.82Å; L140-W171 HydrophobicContact CD1-CZ3 4.21Å; L140-W171 HydrophobicContact CD2-CH2 3.83Å; L140-W171 HydrophobicContact CD2-CZ2 4.47Å; I148-W171 HydrophobicContact CD1-CE3 4.07Å; I148-W171 HydrophobicContact CD1-CZ3 4.33Å; I148-W171 HydrophobicContact CG2-CE3 4.42Å; I148-W171 HydrophobicContact CG2-CH2 4.06Å; I148-W171 HydrophobicContact CG2-CZ3 3.67Å; W157-W171 HydrophobicContact CD2-CE3 4.03Å; W157-W171 AromaticContact CE2-CE3 3.87Å; W157-W171 AromaticContact CE3-CE3 3.82Å; W157-W171 HydrophobicContact CE3-CE3 3.82Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CH2-CD2 4.3Å; W157-W171 AromaticContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CE3 3.21Å; W157-W171 HydrophobicContact CH2-CH2 4.44Å; W157-W171 AromaticContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CZ2-CB 4.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.29Å; W157-W171 AromaticContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.48Å; W157-W171 HydrophobicContact CZ2-CZ3 4.08Å; W157-W171 AromaticContact CZ3-CE3 3.44Å; W157-W171 HydrophobicContact CZ3-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.44Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.13Å; T167-W171 HydrophobicContact CG2-CG 4.09Å; T167-W171 HydrophobicContact CG2-CH2 4.36Å; T167-W171 HydrophobicContact CG2-CZ2 3.93Å; T167-W171 HydrophobicContact CG2-CZ3 4.44Å; T167-W171 WeakPolarHBondContact O-CB 3.37Å; T167-W171 PolarHBondContact O-N 2.86Å; Q168-W171 PolarHBondContact O-N 2.9Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.31Å; W171-R175 PolarHBondContact O-N 3.03Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.49Å
172	E	98.6	Very high	98.3	Very high	95 Å²	95	72.9 Å²	72.9	44%	0.444	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-46.7	171.5	-73.1	169.5	173.4	0	0	111.1	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 2.88Å; Q168-E172 PolarHBondContact NE2-OE1 3.14Å; Q168-E172 WeakPolarHBondContact O-CB 3.41Å; Q168-E172 WeakPolarHBondContact O-CG 3.42Å; Q168-E172 PolarHBondContact O-N 2.88Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.11Å; E172-R175 PolarHBondContact O-N 3.24Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.3	Very high	88 Å²	88	70.4 Å²	70.4	73%	0.727	35%	0.345	S	S	*	.	H	α-helix	trans	-62.5	-35.4	177	0	0	0	0	0	112.7	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.32Å; R169-A173 WeakPolarHBondContact O-CB 3.2Å; R169-A173 PolarHBondContact O-N 2.84Å; K170-A173 PolarHBondContact O-N 2.94Å
174	A	98.2	Very high	98.3	Very high	50 Å²	50	70.2 Å²	70.2	41%	0.413	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.6	177.4	0	0	0	0	0	114.1	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.38Å; K170-A174 PolarHBondContact O-N 3.03Å; W171-A174 CarbonylContact O-C 3.55Å; W171-A174 PolarHBondContact O-N 3.31Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.11Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.39Å
175	R	97.9	Very high	98.3	Very high	158 Å²	158	74.4 Å²	74.4	60%	0.596	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	38.6	-177.5	-60.4	173.8	171.6	-131.8	7.4	113.8	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 3.03Å; E172-R175 PolarHBondContact O-N 3.24Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-E178 HydrophobicContact CB-CG 4.19Å; R175-E178 WeakPolarHBondContact CD-OE1 3.14Å; R175-E178 IonicContact CZ-OE1 3.73Å; R175-E178 IonicContact NE-OE1 3.01Å; R175-E178 IonicContact NH1-OE1 2.9Å; R175-E178 PolarHBondContact NH1-OE1 3.5Å; R175-E178 IonicContact NH1-OE2 3.68Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 2.64Å
176	E	97.9	Very high	98.2	Very high	61 Å²	61	71.9 Å²	71.9	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-31.2	-178.2	-68.8	-69.5	175.3	0	0	112.9	W157 W171 A174 E178 Q179 L180	W157-E176 HydrophobicContact CZ2-CB 4.16Å; W171-E176 HydrophobicContact CB-CB 3.95Å; W171-E176 HydrophobicContact CB-CG 3.88Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.11Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.49Å; A174-E176 VanDerWaalsContact C-N 3.26Å; A174-E176 HydrophobicContact CB-CG 4.09Å; A174-E176 PolarHBondContact O-N 3.39Å; E176-E178 VanDerWaalsContact C-N 3.28Å; E176-E178 PolarHBondContact O-N 3.01Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 2.85Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	72.8 Å²	72.8	7%	0.074	36%	0.362	C	S	.	.	H	α-helix	trans	-61.2	-36	177	0	0	0	0	0	112.1	L150 W157 R175 Q179 L180 R181	L150-A177 HydrophobicContact CD1-CB 4.02Å; W157-A177 HydrophobicContact CZ2-CB 4.18Å; R175-A177 PolarHBondContact O-N 3.45Å; A177-Q179 PolarHBondContact O-N 2.97Å; A177-L180 PolarHBondContact O-N 2.86Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 2.85Å
178	E	98.1	Very high	98.2	Very high	109 Å²	109	72 Å²	72	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-41.1	178.4	-62.5	177	-170.3	0	0	111.2	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.19Å; R175-E178 WeakPolarHBondContact CD-OE1 3.14Å; R175-E178 IonicContact CZ-OE1 3.73Å; R175-E178 IonicContact NE-OE1 3.01Å; R175-E178 IonicContact NH1-OE1 2.9Å; R175-E178 PolarHBondContact NH1-OE1 3.5Å; R175-E178 IonicContact NH1-OE2 3.68Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 2.64Å; E176-E178 VanDerWaalsContact C-N 3.28Å; E176-E178 PolarHBondContact O-N 3.01Å; E178-A182 WeakPolarHBondContact O-CB 3.15Å; E178-A182 PolarHBondContact O-N 3.42Å
179	Q	97.5	Very high	98.2	Very high	123 Å²	123	70.5 Å²	70.5	58%	0.575	35%	0.351	S	S	*	.	H	α-helix	trans	-67.3	-44	177.6	-61.4	-176.8	38.4	0	0	111.7	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 2.86Å; A177-Q179 PolarHBondContact O-N 2.97Å; Q179-A182 PolarHBondContact O-N 2.89Å; Q179-Y183 PolarHBondContact O-N 2.76Å
180	L	98.1	Very high	98.2	Very high	24 Å²	24	68.7 Å²	68.7	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-65.4	-42.7	178	-72.4	163.6	0	0	0	111.6	N138 L150 W157 E176 A177 Y183 L184	N138-L180 WeakPolarHBondContact ND2-CD1 3.32Å; L150-L180 HydrophobicContact CD2-CB 4.22Å; W157-L180 HydrophobicContact CH2-CD1 3.32Å; W157-L180 HydrophobicContact CZ2-CD1 3.81Å; W157-L180 HydrophobicContact CZ3-CD1 4.41Å; E176-L180 WeakPolarHBondContact O-CG 3.46Å; E176-L180 PolarHBondContact O-N 2.85Å; A177-L180 PolarHBondContact O-N 2.86Å; L180-Y183 PolarHBondContact O-N 2.88Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.43Å
181	R	98.4	Very high	98.2	Very high	107 Å²	107	65.2 Å²	65.2	40%	0.404	33%	0.333	S	S	.	.	H	α-helix	trans	-58.2	-48.1	174	-179.2	-179.6	174.9	159	14.5	111.2	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.13Å; L154-R181 HydrophobicContact CB-CG 4.01Å; L154-R181 HydrophobicContact CD1-CG 4.35Å; A177-R181 WeakPolarHBondContact O-CB 3.45Å; A177-R181 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.13Å; R181-L184 PolarHBondContact O-N 2.83Å; R181-L184 VanDerWaalsContact O-N 3.16Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.41Å; R181-E185 IonicContact CZ-OE1 2.67Å; R181-E185 IonicContact CZ-OE2 3.01Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 3.17Å; R181-E185 IonicContact NE-OE2 2.8Å; R181-E185 PolarHBondContact NE-OE2 2.92Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 2.74Å; R181-E185 IonicContact NH2-OE2 3.84Å; R181-E185 WeakPolarHBondContact O-CB 3.14Å; R181-E185 PolarHBondContact O-N 2.71Å
182	A	98.4	Very high	98.2	Very high	66 Å²	66	62.5 Å²	62.5	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-58.8	-39.7	177.9	0	0	0	0	0	112.4	E178 Q179 G186	E178-A182 WeakPolarHBondContact O-CB 3.15Å; E178-A182 PolarHBondContact O-N 3.42Å; Q179-A182 PolarHBondContact O-N 2.89Å; A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.11Å
183	Y	98.3	Very high	98.1	Very high	59 Å²	59	63.6 Å²	63.6	23%	0.231	32%	0.323	C	S	.	.	I	π-helix	trans	-66.3	-47.7	173.2	170	-96.9	0	0	0	112.5	Y123 Q179 L180 R181 G186 L187 C188	Y123-Y183 AromaticContact CD2-CE1 3.84Å; Y123-Y183 HydrophobicContact CD2-CE1 3.84Å; Y123-Y183 AromaticContact CE2-CE1 3.77Å; Y123-Y183 HydrophobicContact CE2-CE1 3.77Å; Y123-Y183 AromaticContact CE2-CZ 3.96Å; Q179-Y183 PolarHBondContact O-N 2.76Å; L180-Y183 PolarHBondContact O-N 2.88Å; R181-Y183 VanDerWaalsContact C-N 3.29Å; R181-Y183 PolarHBondContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.88Å; Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.27Å; Y183-L187 HydrophobicContact CE2-CB 4.09Å; Y183-L187 PolarHBondContact O-N 2.89Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.34Å; Y183-C188 PolarHBondContact O-N 3.23Å
184	L	98.5	Very high	98.1	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.31	C	S	.	.	I	π-helix	trans	-70	-38.2	-174	-71.3	170.7	0	0	0	112.7	G124 L150 L154 L180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.25Å; L150-L184 HydrophobicContact CD2-CD1 3.92Å; L154-L184 HydrophobicContact CD2-CD1 4.01Å; L180-L184 WeakPolarHBondContact O-CB 3.49Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.43Å; R181-L184 PolarHBondContact O-N 2.83Å; R181-L184 VanDerWaalsContact O-N 3.16Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å
185	E	97.9	Very high	98.1	Very high	88 Å²	88	62.9 Å²	62.9	41%	0.411	29%	0.29	S	S	.	.	I	π-helix	trans	-81	-23.6	176.5	-69.3	179.4	158.2	0	0	112.9	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.36Å; L133-E185 HydrophobicContact CD2-CG 3.61Å; L154-E185 HydrophobicContact CD1-CG 4.21Å; R181-E185 HydrophobicContact CG-CG 4.13Å; R181-E185 WeakPolarHBondContact CG-OE2 3.41Å; R181-E185 IonicContact CZ-OE1 2.67Å; R181-E185 IonicContact CZ-OE2 3.01Å; R181-E185 IonicContact NE-OE1 3.75Å; R181-E185 PolarHBondContact NE-OE1 3.17Å; R181-E185 IonicContact NE-OE2 2.8Å; R181-E185 PolarHBondContact NE-OE2 2.92Å; R181-E185 IonicContact NH2-OE1 3.31Å; R181-E185 PolarHBondContact NH2-OE1 2.74Å; R181-E185 IonicContact NH2-OE2 3.84Å; R181-E185 WeakPolarHBondContact O-CB 3.14Å; R181-E185 PolarHBondContact O-N 2.71Å
186	G	97.8	Very high	98	Very high	22 Å²	22	56 Å²	56	23%	0.227	27%	0.266	C	S	.	.	I	π-helix	trans	-107	-95.5	-178.4	0	0	0	0	0	112.9	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.85Å; A182-G186 VanDerWaalsContact O-N 3.11Å; Y183-G186 CarbonylContact O-C 3.57Å; Y183-G186 PolarHBondContact O-N 2.88Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.91Å; G186-V189 WeakPolarHBondContact O-CB 3.29Å; G186-V189 PolarHBondContact O-N 3.01Å; G186-E190 PolarHBondContact O-N 2.82Å
187	L	97.8	Very high	97.9	Very high	84 Å²	84	59 Å²	59	44%	0.44	28%	0.279	S	S	.	.	I	π-helix	trans	-55	-39.4	-170.2	-71.2	176	0	0	0	113.7	Y183 V189 E190 W191	Y183-L187 HydrophobicContact CD2-CB 3.87Å; Y183-L187 HydrophobicContact CD2-CD1 4.27Å; Y183-L187 HydrophobicContact CE2-CB 4.09Å; Y183-L187 PolarHBondContact O-N 2.89Å; Y183-L187 VanDerWaalsContact O-N 3.16Å; L187-V189 PolarHBondContact O-N 3.02Å; L187-E190 PolarHBondContact O-N 3.29Å; L187-W191 WeakPolarHBondContact O-CB 3.41Å; L187-W191 PolarHBondContact O-N 2.86Å
188	C	98.4	Very high	97.9	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-46.9	178.5	-169.9	0	0	0	0	111.2	M29 C125 Y183 G186 L192	M29-C188 HydrophobicContact CE-CB 4.24Å; M29-C188 VanDerWaalsContact CE-O 3.27Å; M29-C188 WeakPolarHBondContact CE-O 3.41Å; M29-C188 VanDerWaalsContact CE-SG 3.54Å; C125-C188 HydrophobicContact CB-CB 3.93Å; C125-C188 WeakPolarHBondContact CB-SG 3.4Å; C125-C188 PolarHBondContact N-SG 3.42Å; C125-C188 VanDerWaalsContact N-SG 3.36Å; C125-C188 WeakPolarHBondContact SG-CB 3.36Å; C125-C188 PolarHBondContact SG-O 3.2Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.96Å; Y183-C188 HydrophobicContact CD1-CB 4.32Å; Y183-C188 HydrophobicContact CE1-CB 3.87Å; Y183-C188 WeakPolarHBondContact O-CB 3.34Å; Y183-C188 PolarHBondContact O-N 3.23Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.91Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.98Å
189	V	98.3	Very high	97.8	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.048	27%	0.266	C	S	.	.	H	α-helix	trans	-63.7	-45.6	177.7	178.5	0	0	0	0	111	L127 L133 L184 G186 L187 L192 R193	L127-V189 HydrophobicContact CD1-CG1 4.28Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.71Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.08Å; L133-V189 HydrophobicContact CD1-CG2 4.13Å; L184-V189 WeakPolarHBondContact O-CG2 3.41Å; G186-V189 WeakPolarHBondContact O-CB 3.29Å; G186-V189 PolarHBondContact O-N 3.01Å; L187-V189 PolarHBondContact O-N 3.02Å; V189-L192 PolarHBondContact O-N 3.34Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 2.85Å
190	E	98.1	Very high	97.6	Very high	118 Å²	118	55.2 Å²	55.2	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-61.2	-47.8	-179.9	-70.6	176.2	-179.6	0	0	112	G186 L187 R193 R194	G186-E190 PolarHBondContact O-N 2.82Å; L187-E190 PolarHBondContact O-N 3.29Å; E190-R193 PolarHBondContact O-N 3Å; E190-R194 PolarHBondContact O-N 2.98Å
191	W	98.2	Very high	97.3	Very high	43 Å²	43	62.1 Å²	62.1	16%	0.163	29%	0.292	C	S	.	.	H	α-helix	trans	-65.9	-44	178.4	-81.5	112.1	0	0	0	112	M29 Y83 L187 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.41Å; Y83-W191 AromaticContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CH2 3.59Å; Y83-W191 HydrophobicContact CD2-CZ2 4.15Å; Y83-W191 HydrophobicContact CD2-CZ3 4Å; Y83-W191 HydrophobicContact CE2-CE3 4.48Å; Y83-W191 AromaticContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CH2 3.93Å; Y83-W191 HydrophobicContact CE2-CZ2 4.39Å; Y83-W191 AromaticContact CE2-CZ3 3.97Å; Y83-W191 HydrophobicContact CE2-CZ3 3.97Å; L187-W191 WeakPolarHBondContact O-CB 3.41Å; L187-W191 PolarHBondContact O-N 2.86Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.39Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.33Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE1 3.45Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.39Å
192	L	98.4	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177.4	174.9	51.5	0	0	0	111.4	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.49Å; M29-L192 HydrophobicContact CB-CB 4.06Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 3.96Å; M29-L192 HydrophobicContact CB-CG 4.24Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-L192 HydrophobicContact SD-CB 4.46Å; V52-L192 HydrophobicContact CG1-CD1 3.59Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.45Å; L127-L192 HydrophobicContact CD1-CB 4.16Å; L127-L192 HydrophobicContact CD1-CD2 3.63Å; L127-L192 HydrophobicContact CD1-CG 3.71Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.23Å; C188-L192 VanDerWaalsContact O-CB 3.31Å; C188-L192 WeakPolarHBondContact O-CB 3.45Å; C188-L192 PolarHBondContact O-N 2.98Å; V189-L192 PolarHBondContact O-N 3.34Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.82Å; L192-Y195 PolarHBondContact O-N 2.88Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 2.87Å
193	R	97.3	Very high	96.8	Very high	119 Å²	119	56 Å²	56	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-59.5	-44.5	174.4	-72.9	175.6	-176.7	166.3	0.2	112.3	L127 G131 V189 E190 W191 Y195 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.94Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 3.43Å; G131-R193 PolarHBondContact O-NH2 2.63Å; V189-R193 WeakPolarHBondContact O-CG 3.48Å; V189-R193 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.39Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 2.75Å; R193-E197 PolarHBondContact O-N 3.24Å
194	R	97.4	Very high	96.5	Very high	121 Å²	121	57.6 Å²	57.6	46%	0.457	27%	0.27	S	S	.	.	H	α-helix	trans	-60.1	-44.8	176.2	178.7	179.5	173.8	111.2	-6.2	111.3	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.49Å; E79-R194 IonicContact OE1-NE 2.71Å; E79-R194 PolarHBondContact OE1-NE 3.05Å; E79-R194 IonicContact OE1-NH2 3.31Å; E79-R194 PolarHBondContact OE1-NH2 2.9Å; E79-R194 IonicContact OE2-CZ 3.52Å; E79-R194 IonicContact OE2-NE 3.35Å; E79-R194 IonicContact OE2-NH2 2.75Å; E79-R194 PolarHBondContact OE2-NH2 2.91Å; E190-R194 PolarHBondContact O-N 2.98Å; W191-R194 WeakPolarHBondContact O-CB 3.43Å; W191-R194 PolarHBondContact O-N 3.33Å; L192-R194 VanDerWaalsContact C-N 3.35Å; L192-R194 PolarHBondContact O-N 2.82Å; R194-E197 PolarHBondContact O-N 2.72Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.24Å; R194-N198 PolarHBondContact O-N 2.95Å; R194-N198 PolarHBondContact O-OD1 3.32Å
195	Y	97.9	Very high	96.3	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-66.8	-39	179.1	-61.2	-27.1	0	0	0	112.6	M29 V52 F57 W75 I76 Y83 W191 L192 R193 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.55Å; M29-Y195 VanDerWaalsContact SD-CE2 3.55Å; V52-Y195 HydrophobicContact CG2-CD2 4Å; F57-Y195 HydrophobicContact CE2-CD2 4.26Å; F57-Y195 AromaticContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CE2-CE2 3.71Å; F57-Y195 HydrophobicContact CZ-CD2 4.31Å; F57-Y195 AromaticContact CZ-CE2 3.84Å; F57-Y195 HydrophobicContact CZ-CE2 3.84Å; W75-Y195 HydrophobicContact CE3-CD1 4.43Å; W75-Y195 HydrophobicContact CH2-CG 4.22Å; W75-Y195 AromaticContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD1 3.77Å; W75-Y195 HydrophobicContact CZ3-CD2 4.33Å; W75-Y195 AromaticContact CZ3-CG 3.66Å; W75-Y195 HydrophobicContact CZ3-CG 3.66Å; I76-Y195 HydrophobicContact CD1-CD1 3.82Å; I76-Y195 HydrophobicContact CD1-CE1 3.29Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.26Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.27Å; Y83-Y195 PolarHBondContact OH-OH 3.04Å; W191-Y195 HydrophobicContact CB-CE2 3.96Å; W191-Y195 HydrophobicContact CE3-CD1 4.39Å; W191-Y195 AromaticContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE1 3.45Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE2 4.29Å; W191-Y195 AromaticContact CE3-CZ 3.38Å; W191-Y195 AromaticContact CZ3-CE1 3.85Å; W191-Y195 HydrophobicContact CZ3-CE1 3.85Å; W191-Y195 VanDerWaalsContact O-CD2 3.27Å; W191-Y195 WeakPolarHBondContact O-CD2 3.48Å; W191-Y195 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 2.88Å; R193-Y195 VanDerWaalsContact C-N 3.35Å; R193-Y195 PolarHBondContact O-N 2.85Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 2.74Å; Y195-N198 PolarHBondContact O-N 3.33Å; Y195-G199 WeakPolarHBondContact O-CA 3.12Å; Y195-G199 PolarHBondContact O-N 3.39Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å
196	L	96.8	Very high	96.2	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-36.4	174.9	-71.4	169.5	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.09Å; L192-L196 HydrophobicContact CD1-CD1 3.85Å; L192-L196 HydrophobicContact CD1-CD2 4.35Å; L192-L196 HydrophobicContact CD1-CG 3.82Å; L192-L196 HydrophobicContact CG-CD1 4.02Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.5Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.25Å; L192-L196 PolarHBondContact O-N 2.87Å; R193-L196 PolarHBondContact O-N 2.75Å; L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.27Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-K200 VanDerWaalsContact O-N 3.1Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.29Å
197	E	96.3	Very high	96.1	Very high	122 Å²	122	61.2 Å²	61.2	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-71.4	-49.6	174.7	-172.5	58.7	-152.4	0	0	110.9	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.24Å; R194-E197 PolarHBondContact O-N 2.72Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 2.74Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.46Å; E197-K200 WeakPolarHBondContact O-CB 3.15Å; E197-K200 PolarHBondContact O-N 2.69Å
198	N	97.1	Very high	96.1	Very high	51 Å²	51	60.5 Å²	60.5	27%	0.273	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-39.3	178	-77.8	2.1	0	0	0	112.9	Q78 E79 R194 Y195	Q78-N198 PolarHBondContact NE2-ND2 2.94Å; E79-N198 PolarHBondContact OE1-ND2 3.4Å; R194-N198 VanDerWaalsContact O-CB 3.24Å; R194-N198 WeakPolarHBondContact O-CB 3.24Å; R194-N198 PolarHBondContact O-N 2.95Å; R194-N198 PolarHBondContact O-OD1 3.32Å; Y195-N198 PolarHBondContact O-N 3.33Å
199	G	96.1	Very high	96.1	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.031	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	14.4	-176.1	0	0	0	0	0	114.2	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.12Å; Y195-G199 PolarHBondContact O-N 3.39Å; E197-G199 VanDerWaalsContact C-N 3.28Å; E197-G199 PolarHBondContact O-N 3.46Å; G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.93Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.34Å; G199-T202 PolarHBondContact O-N 3.05Å; G199-T202 PolarHBondContact O-OG1 2.84Å; G199-L203 PolarHBondContact O-N 3.39Å
200	K	94.3	Very high	96.1	Very high	108 Å²	108	68 Å²	68	47%	0.47	32%	0.316	S	S	.	.	H	α-helix	trans	-49.6	-42.9	-169.2	-179.3	173.4	-175.8	174.3	0	114.9	L196 E197 T202 Q204	L196-K200 VanDerWaalsContact O-CA 3.23Å; L196-K200 WeakPolarHBondContact O-CA 3.27Å; L196-K200 WeakPolarHBondContact O-CB 3.45Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-K200 VanDerWaalsContact O-N 3.1Å; E197-K200 WeakPolarHBondContact O-CB 3.15Å; E197-K200 PolarHBondContact O-N 2.69Å; K200-T202 PolarHBondContact O-N 3.24Å; K200-T202 VanDerWaalsContact O-N 3.16Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 PolarHBondContact O-N 3.12Å
201	E	92.4	Very high	96.1	Very high	169 Å²	169	64 Å²	64	79%	0.79	30%	0.3	S	S	*	.	H	α-helix	trans	-62.3	-23.6	179.5	-61.9	-172.9	164.2	0	0	113.6	G199 R205	G199-E201 VanDerWaalsContact C-N 3.3Å; G199-E201 PolarHBondContact O-N 2.93Å; G199-E201 VanDerWaalsContact O-N 3.14Å; E201-R205 PolarHBondContact O-NH1 2.78Å
202	T	92.8	Very high	96.1	Very high	42 Å²	42	65.8 Å²	65.8	26%	0.258	31%	0.31	S	S	.	.	H	α-helix	trans	-102.9	-68.2	178.2	55.7	0	0	0	0	110.4	G199 K200 Q204 R205 R263	G199-T202 CarbonylContact O-C 3.5Å; G199-T202 WeakPolarHBondContact O-CA 3.34Å; G199-T202 PolarHBondContact O-N 3.05Å; G199-T202 PolarHBondContact O-OG1 2.84Å; K200-T202 PolarHBondContact O-N 3.24Å; K200-T202 VanDerWaalsContact O-N 3.16Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.13Å; T202-R205 WeakPolarHBondContact O-CB 3.23Å; T202-R205 PolarHBondContact O-N 2.83Å; T202-R263 VanDerWaalsContact CA-NH1 3.32Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 2.87Å; T202-R263 PolarHBondContact O-NH2 2.89Å
203	L	93.6	Very high	96.1	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-62.1	-33.1	-168.4	-62.2	172.6	0	0	0	114.1	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.17Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.36Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.15Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å; Y195-L203 WeakPolarHBondContact O-CD1 3.46Å; L196-L203 HydrophobicContact CD2-CB 4.08Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 PolarHBondContact O-N 3.39Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	92.1	Very high	96.1	Very high	92 Å²	92	62.8 Å²	62.8	43%	0.43	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	12.7	179	-58.4	-178.9	36.3	0	0	112.7	L196 K200 T202	L196-Q204 PolarHBondContact O-NE2 3.29Å; K200-Q204 HydrophobicContact CG-CB 4.46Å; K200-Q204 HydrophobicContact CG-CG 4.48Å; K200-Q204 PolarHBondContact O-N 3.12Å; T202-Q204 VanDerWaalsContact C-N 3.32Å; T202-Q204 PolarHBondContact O-N 3.13Å
205	R	93.5	Very high	96	Very high	117 Å²	117	59.6 Å²	59.6	44%	0.442	30%	0.295	S	S	.	.			trans	-107.4	117.4	176.4	-170	-177.9	77	-141.3	4.8	110.3	E201 T202 L203 D207 Y233	E201-R205 PolarHBondContact O-NH1 2.78Å; T202-R205 WeakPolarHBondContact O-CB 3.23Å; T202-R205 PolarHBondContact O-N 2.83Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-D207 IonicContact CZ-OD1 3.62Å; R205-D207 IonicContact NE-OD1 2.77Å; R205-D207 PolarHBondContact NE-OD1 3.15Å; R205-D207 IonicContact NE-OD2 2.94Å; R205-D207 IonicContact NH2-OD1 3.68Å; R205-D207 IonicContact NH2-OD2 3.33Å; R205-D207 PolarHBondContact NH2-OD2 3.28Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å
206	A	95.4	Very high	95.9	Very high	32 Å²	32	63.2 Å²	63.2	26%	0.264	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-84.8	125.6	167.9	0	0	0	0	0	110.1	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; A206-E288 HydrophobicContact CB-CG 4.03Å; A206-E288 WeakPolarHBondContact CB-OE1 3.27Å
207	D	96.8	Very high	95.8	Very high	37 Å²	37	67.3 Å²	67.3	20%	0.198	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-99.5	116.6	174.3	-66.4	-33.3	0	0	0	107.8	R205 F232 Y233 H287	R205-D207 IonicContact CZ-OD1 3.62Å; R205-D207 IonicContact NE-OD1 2.77Å; R205-D207 PolarHBondContact NE-OD1 3.15Å; R205-D207 IonicContact NE-OD2 2.94Å; R205-D207 IonicContact NH2-OD1 3.68Å; R205-D207 IonicContact NH2-OD2 3.33Å; R205-D207 PolarHBondContact NH2-OD2 3.28Å; D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.45Å; D207-Y233 PolarHBondContact N-O 2.93Å; D207-Y233 PolarHBondContact O-N 3.49Å; D207-H287 PolarHBondContact O-CE1 2.97Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å
208	P	97.7	Very high	95.7	Very high	68 Å²	68	66.2 Å²	66.2	44%	0.442	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-70.5	149	-176.2	25.6	-33	0	0	0	112.6	K210 L290	P208-K210 PolarHBondContact O-N 3.18Å; P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.49Å
209	P	98.3	Very high	95.5	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.058	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.7	132.8	179.3	28.2	-35.2	0	0	0	112.2	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3Å; P209-A229 HydrophobicContact CB-CB 3.89Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.12Å; P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	98.4	Very high	95.2	Very high	157 Å²	157	73.2 Å²	73.2	68%	0.683	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	114.5	163.3	-63.2	173	-173.3	169.3	0	107.8	P208 L230	P208-K210 PolarHBondContact O-N 3.18Å; K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 3.36Å
211	T	98.2	Very high	95.2	Very high	35 Å²	35	74.9 Å²	74.9	22%	0.215	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	145.2	-171.4	56.8	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.93Å; P209-T211 HydrophobicContact CG-CG2 4.15Å; P209-T211 PolarHBondContact O-N 3Å; T211-W228 WeakPolarHBondContact CA-O 3.26Å; T211-W228 WeakPolarHBondContact CB-O 3.36Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.47Å
212	H	97.4	Very high	95.3	Very high	80 Å²	80	71.2 Å²	71.2	37%	0.37	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	160.8	173.2	62.8	-76.6	0	0	0	110.2	W228	H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.48Å
213	V	98.3	Very high	95.5	Very high	21 Å²	21	69.2 Å²	69.2	13%	0.127	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.4	176.5	-179.8	0	0	0	0	109.2	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; V213-C227 HydrophobicContact CG2-CB 4.42Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.85Å
214	T	97.1	Very high	95.7	Very high	35 Å²	35	70 Å²	70	22%	0.215	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	149.7	171.8	63	0	0	0	0	110.7	H216 L225 R226 W228	T214-H216 WeakPolarHBondContact CB-NE2 3.11Å; T214-H216 PolarHBondContact OG1-NE2 2.91Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; T214-R226 PolarHBondContact N-O 2.04Å; T214-R226 PolarHBondContact O-N 3.1Å; T214-W228 PolarHBondContact OG1-NE1 3.06Å
215	H	96.4	Very high	96	Very high	54 Å²	54	65.7 Å²	65.7	25%	0.25	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.4	178.9	170.4	-91.9	0	0	0	109.5	A223 T224 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H215-T224 WeakPolarHBondContact CA-O 3.43Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; H215-E278 IonicContact NE2-OE1 3.51Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	95.6	Very high	96.2	Very high	76 Å²	76	62.5 Å²	62.5	35%	0.352	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	104.4	-178.4	-56.3	-70.5	0	0	0	109.4	T214 I218 A223 T224 R226	T214-H216 WeakPolarHBondContact CB-NE2 3.11Å; T214-H216 PolarHBondContact OG1-NE2 2.91Å; H216-I218 PolarHBondContact O-N 2.83Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; H216-T224 PolarHBondContact N-O 2.74Å; H216-T224 PolarHBondContact O-N 3.19Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 2.82Å
217	P	94.7	Very high	96.4	Very high	102 Å²	102	61 Å²	61	66%	0.662	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.9	132.8	174.3	-20.8	30.9	0	0	0	111.1
218	I	93.3	Very high	96.5	Very high	98 Å²	98	61.7 Å²	61.7	50%	0.503	32%	0.317	S	S	.	.			trans	-101.3	-45.3	172.9	-61.2	162	0	0	0	109.5	H216 E222 T224 V272	H216-I218 PolarHBondContact O-N 2.83Å; I218-E222 PolarHBondContact N-O 2.99Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.38Å; I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å
219	S	93.4	Very high	96.5	Very high	51 Å²	51	58.4 Å²	58.4	36%	0.357	30%	0.296	S	S	.	.	S	Bend	trans	-147.2	-178.6	178.7	71.9	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.98Å; S219-E222 PolarHBondContact N-O 3.42Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.83Å
220	D	90.2	Very high	96.5	Very high	150 Å²	150	60.6 Å²	60.6	80%	0.802	31%	0.306	S	S	*	.	S	Bend	trans	-65.7	-9.9	173.1	-64.9	-20.3	0	0	0	113.4
221	H	93.3	Very high	96.5	Very high	143 Å²	143	54.2 Å²	54.2	66%	0.662	29%	0.285	S	S	*	.	S	Bend	trans	-116.5	-15.7	-175.2	-55.8	-42.6	0	0	0	113.5	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.45Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.98Å; H221-P274 CarbonylContact O-C 3.53Å; H221-P274 WeakPolarHBondContact O-CA 3.31Å; H221-S275 PolarHBondContact O-N 2.94Å; H221-S275 PolarHBondContact O-OG 2.75Å
222	E	95.6	Very high	96.5	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.9	-171.3	-66.8	-179.2	164.2	0	0	112.3	I218 S219 V272 V273 S275	I218-E222 PolarHBondContact N-O 2.99Å; S219-E222 PolarHBondContact N-O 3.42Å; S219-E222 VanDerWaalsContact O-O 3.11Å; S219-E222 PolarHBondContact OG-N 2.83Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 3.14Å
223	A	96.4	Very high	96.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	156.1	171.8	0	0	0	0	0	111	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H216-A223 CarbonylContact O-C 3.59Å; H216-A223 WeakPolarHBondContact O-CA 3.38Å; A223-V272 WeakPolarHBondContact O-CA 3.31Å; A223-V273 PolarHBondContact N-O 2.96Å; A223-V273 WeakPolarHBondContact O-CG2 3.36Å; A223-V273 PolarHBondContact O-N 3.45Å
224	T	97.8	Very high	96.4	Very high	21 Å²	21	48.5 Å²	48.5	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.2	168.6	-53.2	0	0	0	0	109.8	H215 H216 I218 A270 V271	H215-T224 WeakPolarHBondContact CA-O 3.43Å; H216-T224 PolarHBondContact N-O 2.74Å; H216-T224 PolarHBondContact O-N 3.19Å; I218-T224 WeakPolarHBondContact CD1-OG1 3.38Å; T224-A270 HydrophobicContact CG2-CB 3.84Å; T224-V271 WeakPolarHBondContact CA-O 3.2Å
225	L	98.2	Very high	96.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.6	161.9	-63.7	-176.5	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.32Å; V213-L225 HydrophobicContact CG1-CD2 4.37Å; T214-L225 WeakPolarHBondContact O-CA 3.45Å; H215-L225 HydrophobicContact CB-CD2 3.99Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.13Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3Å; L225-V271 PolarHBondContact O-N 2.91Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.93Å
226	R	98.4	Very high	96.4	Very high	51 Å²	51	50.5 Å²	50.5	19%	0.192	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.5	176.8	-176.8	178.1	-66.9	115.2	0.3	110.3	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.54Å; V213-R226 WeakPolarHBondContact CA-O 3.39Å; T214-R226 PolarHBondContact N-O 2.04Å; T214-R226 PolarHBondContact O-N 3.1Å; H216-R226 PolarHBondContact CD2-NH1 3.13Å; H216-R226 PolarHBondContact NE2-NH1 2.82Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.42Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.4	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	121.4	175	-173.3	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.42Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.11Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; C227-A269 PolarHBondContact N-O 3.42Å; C227-A269 PolarHBondContact O-N 2.93Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.26Å
228	W	98.6	Very high	96.6	Very high	51 Å²	51	44.6 Å²	44.6	19%	0.193	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141.3	179.8	-69.8	89.1	0	0	0	110.9	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.26Å; T211-W228 WeakPolarHBondContact CB-O 3.36Å; H212-W228 VanDerWaalsContact CE1-CB 3.42Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.72Å; H212-W228 PolarHBondContact N-O 2.94Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.71Å; H212-W228 PolarHBondContact O-N 3.48Å; T214-W228 PolarHBondContact OG1-NE1 3.06Å; R226-W228 HydrophobicContact CG-CZ2 4.39Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; W228-W268 AromaticContact CZ3-CD1 3.41Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.41Å; W228-W268 HydrophobicContact CZ3-CG 4.11Å
229	A	98.6	Very high	96.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.2	162.6	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.89Å; T211-A229 HydrophobicContact CG2-CB 4.24Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.11Å; A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; A229-K267 PolarHBondContact N-O 2.94Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.1Å
230	L	98.5	Very high	97	Very high	54 Å²	54	39.7 Å²	39.7	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	-174.7	-58.3	177.1	0	0	0	111	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 2.82Å; K210-L230 PolarHBondContact O-N 3.36Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.77Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å
231	G	98.1	Very high	97.4	Very high	23 Å²	23	32.7 Å²	32.7	24%	0.237	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70	29.1	167.5	0	0	0	0	0	114	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; G231-F265 PolarHBondContact N-O 3.23Å
232	F	98.3	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.5	179.8	60	-88.5	0	0	0	112.5	D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	D207-F232 WeakPolarHBondContact O-CA 3.43Å; D207-F232 WeakPolarHBondContact O-CB 3.45Å; P209-F232 HydrophobicContact CB-CB 3.82Å; P209-F232 HydrophobicContact CB-CD1 3.9Å; P209-F232 HydrophobicContact CB-CG 4.12Å; A229-F232 HydrophobicContact CB-CD1 4.08Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.24Å; L230-F232 VanDerWaalsContact C-N 3.33Å; L230-F232 PolarHBondContact O-N 2.77Å; F232-P234 VanDerWaalsContact CD2-O 3.26Å; F232-P234 WeakPolarHBondContact CD2-O 3.16Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.35Å; F232-F265 HydrophobicContact CD2-CB 4.01Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.32Å; F232-F265 HydrophobicContact CE2-CB 3.53Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.19Å; F232-F265 PolarHBondContact O-N 2.78Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.61Å
233	Y	97.2	Very high	97.7	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-147.7	137.4	171.4	176.3	-82.4	0	0	0	108.1	D54 T55 R205 A206 D207 R263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 3.98Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.48Å; T55-Y233 PolarHBondContact OG1-OH 2.87Å; R205-Y233 WeakPolarHBondContact O-CD1 3.42Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.36Å; D207-Y233 PolarHBondContact N-O 2.93Å; D207-Y233 PolarHBondContact O-N 3.49Å; Y233-R263 HydrophobicContact CD2-CG 3.85Å; Y233-R263 HydrophobicContact CE2-CG 4.06Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.25Å; Y233-F265 HydrophobicContact CD2-CE2 4.19Å; Y233-H287 PolarHBondContact O-CE1 3.18Å
234	P	96.5	Very high	97.7	Very high	15 Å²	15	31.5 Å²	31.5	10%	0.097	16%	0.162	C	C	.	.	S	Bend	cis	-71.5	-176.2	1.6	29.3	-36.8	0	0	0	113.9	D54 F232 E236 H287 E288	D54-P234 WeakPolarHBondContact OD2-CB 3.46Å; F232-P234 VanDerWaalsContact CD2-O 3.26Å; F232-P234 WeakPolarHBondContact CD2-O 3.16Å; P234-E236 VanDerWaalsContact C-N 3.34Å; P234-H287 PolarHBondContact O-NE2 2.91Å; P234-E288 WeakPolarHBondContact CD-OE1 3.31Å; P234-E288 VanDerWaalsContact CG-CD 3.48Å; P234-E288 HydrophobicContact CG-CG 3.81Å; P234-E288 WeakPolarHBondContact CG-OE1 3.35Å
235	A	97.3	Very high	97.4	Very high	17 Å²	17	32.8 Å²	32.8	14%	0.14	18%	0.18	C	C	.	.	S	Bend	trans	-72.8	-26.4	-177	0	0	0	0	0	113.4	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.35Å; D54-A235 WeakPolarHBondContact OD2-CB 3.39Å; D54-A235 PolarHBondContact OD2-N 3.03Å; A235-I237 PolarHBondContact O-N 3.26Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.46Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.65Å
236	E	96.6	Very high	97.3	Very high	114 Å²	114	39.7 Å²	39.7	53%	0.533	21%	0.212	S	C	.	.			trans	-65.5	121.9	-178.9	-169.8	62.8	-147.8	0	0	109.7	W23 P234 H287	W23-E236 HydrophobicContact CE3-CG 4.29Å; W23-E236 HydrophobicContact CH2-CB 4.02Å; W23-E236 HydrophobicContact CH2-CG 3.27Å; W23-E236 HydrophobicContact CZ2-CG 3.42Å; W23-E236 VanDerWaalsContact CZ2-CG 3.42Å; W23-E236 HydrophobicContact CZ3-CB 3.97Å; W23-E236 HydrophobicContact CZ3-CG 3.69Å; W23-E236 WeakPolarHBondContact CZ3-O 3.2Å; P234-E236 VanDerWaalsContact C-N 3.34Å; E236-H287 PolarHBondContact O-CD2 3.31Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å
237	I	97.3	Very high	97.1	Very high	10 Å²	10	42 Å²	42	5%	0.051	23%	0.228	C	C	.	.			trans	-157.1	143.3	-177.2	-164.8	171	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.06Å; P209-I237 HydrophobicContact CG-CD1 4.12Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.89Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.93Å; F232-I237 HydrophobicContact CE1-CD1 3.77Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.85Å; F232-I237 HydrophobicContact CE2-CG1 4.37Å; F232-I237 HydrophobicContact CE2-CG2 3.6Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.13Å; F232-I237 HydrophobicContact CZ-CD1 3.78Å; F232-I237 HydrophobicContact CZ-CG2 3.57Å; A235-I237 PolarHBondContact O-N 3.26Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.6Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; I237-H287 HydrophobicContact CD1-CB 4.38Å; I237-H287 HydrophobicContact CG1-CB 4.11Å
238	T	97.6	Very high	96.9	Very high	44 Å²	44	43.3 Å²	43.3	27%	0.27	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.3	173.7	-60.8	0	0	0	0	110.4	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 2.86Å
239	L	97.8	Very high	96.5	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.5	172.8	-87.1	63.5	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.11Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.6Å; I237-L239 HydrophobicContact CG1-CD1 3.6Å; I237-L239 HydrophobicContact CG2-CD1 4.09Å; L239-L254 HydrophobicContact CB-CD1 4.18Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.31Å; L239-K267 HydrophobicContact CD2-CD 4.49Å; L239-K267 HydrophobicContact CD2-CG 4.37Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.37Å; L239-H284 WeakPolarHBondContact CA-O 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.34Å
240	T	97.6	Very high	96	Very high	39 Å²	39	55.1 Å²	55.1	24%	0.239	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.2	178.9	49.1	0	0	0	0	111	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.07Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.14Å; T240-H284 PolarHBondContact N-O 2.7Å; T240-H284 PolarHBondContact O-N 3.16Å; T240-H284 WeakPolarHBondContact OG1-CB 3.19Å
241	W	98.2	Very high	95.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.008	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	137.6	170.5	-83	104.5	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.27Å; V213-W241 HydrophobicContact CG2-CH2 4.26Å; L225-W241 HydrophobicContact CB-CH2 3.69Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.48Å; L225-W241 HydrophobicContact CD1-CH2 4.05Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.29Å; W241-A269 PolarHBondContact NE1-O 3.37Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.29Å; W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4Å
242	Q	97.9	Very high	95.4	Very high	40 Å²	40	58.2 Å²	58.2	19%	0.187	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	146	171.7	-69.1	-173.4	-7.8	0	0	110.2	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.57Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 2.94Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.19Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 2.99Å; Q242-H284 PolarHBondContact OE1-NE2 3.24Å
243	R	97.5	Very high	95.3	Very high	70 Å²	70	63.7 Å²	63.7	26%	0.264	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	117.8	168.6	-176.2	-172.6	-176.8	179	-3.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact N-O 3.21Å; R243-E246 PolarHBondContact O-N 3.29Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 3.55Å; R243-E277 IonicContact NH2-OE1 3.69Å; R243-E277 IonicContact NH2-OE2 2.65Å; R243-E277 PolarHBondContact NH2-OE2 3.06Å; R243-R280 WeakPolarHBondContact CA-O 3.36Å; R243-R280 HydrophobicContact CG-CB 4.38Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.81Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD1 4.39Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å
244	D	95.6	Very high	95.3	Very high	101 Å²	101	67.9 Å²	67.9	54%	0.54	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29	-175	-54.7	-48.7	0	0	0	114.4	R280	D244-R280 PolarHBondContact N-O 3.21Å; D244-R280 WeakPolarHBondContact OD1-CB 3.25Å; D244-R280 IonicContact OD1-NE 3.56Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.72Å; D244-R280 PolarHBondContact OD2-NE 3.35Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.16Å
245	G	91.8	Very high	95.3	Very high	48 Å²	48	68.8 Å²	68.8	50%	0.495	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-0.3	-177.6	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 2.89Å
246	E	95.4	Very high	95.3	Very high	146 Å²	146	76.2 Å²	76.2	68%	0.682	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.8	175.7	-62.9	-170.9	167.8	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.57Å; Q242-E246 VanDerWaalsContact CA-O 3.24Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 3.21Å; R243-E246 PolarHBondContact O-N 3.29Å; E246-Q248 PolarHBondContact O-NE2 3.09Å
247	D	95.1	Very high	95.4	Very high	98 Å²	98	72.9 Å²	72.9	52%	0.524	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	135.2	-179	-68.2	-25.1	0	0	0	112.4	Q242	Q242-D247 VanDerWaalsContact CG-OD1 3.23Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.36Å; Q242-D247 PolarHBondContact NE2-OD1 2.94Å
248	Q	94.6	Very high	95.4	Very high	28 Å²	28	77.1 Å²	77.1	13%	0.131	40%	0.399	C	S	.	.			trans	-105.9	35.6	-177.5	-58.4	-59.8	-65.9	0	0	112.5	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.29Å; W241-Q248 PolarHBondContact O-N 3.29Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 3.09Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.98Å; Q248-D251 PolarHBondContact O-N 3.44Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 2.91Å; Q248-T252 PolarHBondContact O-OG1 3.28Å; Q248-V271 HydrophobicContact CB-CG1 4.4Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å
249	T	88.8	Confident	95.4	Very high	108 Å²	108	79.5 Å²	79.5	66%	0.663	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-36	-168.9	-47.5	0	0	0	0	114.1
250	Q	88.6	Confident	95.4	Very high	191 Å²	191	81.5 Å²	81.5	89%	0.893	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-31	-178.8	-66.8	-173.5	-0.3	0	0	113.1	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.98Å
251	D	88	Confident	95.2	Very high	119 Å²	119	83.2 Å²	83.2	64%	0.636	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	2	-177.8	-57	-53.2	0	0	0	112.4	Q248	Q248-D251 PolarHBondContact O-N 3.44Å
252	T	95.2	Very high	95	Very high	23 Å²	23	88.2 Å²	88.2	14%	0.141	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.6	178.9	-62.3	0	0	0	0	110.7	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 2.91Å; Q248-T252 PolarHBondContact O-OG1 3.28Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.96Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; T252-V271 HydrophobicContact CG2-CG1 4.35Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.18Å
253	E	97.1	Very high	94.7	Very high	115 Å²	115	89.4 Å²	89.4	54%	0.537	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	108.3	163.2	-173.7	-174.2	-170.9	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.25Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.18Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.04Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.06Å; E253-A270 PolarHBondContact O-N 3.36Å
254	L	97.1	Very high	94.7	Very high	91 Å²	91	86.8 Å²	86.8	48%	0.476	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.2	178.9	-173.7	68.7	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.18Å; T252-L254 HydrophobicContact CG2-CB 4.44Å; T252-L254 PolarHBondContact O-N 2.96Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
255	V	97	Very high	94.9	Very high	33 Å²	33	83.2 Å²	83.2	20%	0.2	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-83.7	153.7	175.5	-64.8	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.04Å; V255-K267 WeakPolarHBondContact O-CG 3.07Å; V255-K267 PolarHBondContact O-NZ 2.81Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 2.81Å
256	E	97.2	Very high	95.2	Very high	174 Å²	174	83 Å²	83	81%	0.813	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-57.6	147.6	167.2	-67.7	-172.9	166.9	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 2.86Å
257	T	98.2	Very high	95.4	Very high	44 Å²	44	77.1 Å²	77.1	27%	0.27	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-67.9	130.1	174.1	-56.1	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.12Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.37Å; A235-T257 WeakPolarHBondContact O-CG2 3.46Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.14Å
258	R	97.9	Very high	95.5	Very high	99 Å²	99	73.6 Å²	73.6	37%	0.374	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.9	-174.6	68.5	-168.6	-179.4	-175.4	3.5	111.5	E256 F265 Q266	E256-R258 PolarHBondContact O-N 2.86Å; R258-F265 WeakPolarHBondContact O-CA 3.3Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.14Å; R258-Q266 WeakPolarHBondContact O-CG 3.03Å; R258-Q266 PolarHBondContact O-N 2.65Å
259	P	97.6	Very high	95.7	Very high	93 Å²	93	72.3 Å²	72.3	60%	0.604	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	145.2	179	28.9	-34.8	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å
260	A	96.9	Very high	96.1	Very high	49 Å²	49	67.2 Å²	67.2	41%	0.405	36%	0.36	S	S	.	.			trans	-89.1	-15.9	172.8	0	0	0	0	0	112.9	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.81Å
261	G	93.6	Very high	96.6	Very high	76 Å²	76	58.4 Å²	58.4	78%	0.784	32%	0.319	S	S	*	.	S	Bend	trans	96.2	-5.8	179.4	0	0	0	0	0	114.6
262	D	93.4	Very high	97.1	Very high	107 Å²	107	56.3 Å²	56.3	57%	0.572	31%	0.311	S	S	*	.	S	Bend	trans	-116	32.5	-179.6	64.8	-5.3	0	0	0	111.9	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.41Å; D262-T264 PolarHBondContact O-N 3.43Å; D262-T264 WeakPolarHBondContact OD1-CB 2.94Å; D262-T264 PolarHBondContact OD1-N 2.85Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3Å
263	R	93.1	Very high	97.1	Very high	64 Å²	64	55.2 Å²	55.2	24%	0.242	30%	0.304	C	S	.	.	S	Bend	trans	73.5	-21.1	-169.5	-178.7	-176.4	171.1	-137.6	-13.3	115.1	T55 T202 Y233 F265	T55-R263 PolarHBondContact OG1-NE 2.95Å; T202-R263 VanDerWaalsContact CA-NH1 3.32Å; T202-R263 VanDerWaalsContact CB-NH1 3.28Å; T202-R263 PolarHBondContact O-NH1 2.87Å; T202-R263 PolarHBondContact O-NH2 2.89Å; Y233-R263 HydrophobicContact CD2-CG 3.85Å; Y233-R263 HydrophobicContact CE2-CG 4.06Å; Y233-R263 VanDerWaalsContact CZ-NH2 3.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
264	T	97.5	Very high	97.1	Very high	15 Å²	15	51.9 Å²	51.9	9%	0.092	29%	0.292	C	S	.	.			trans	-84.6	169	-179.1	75.7	0	0	0	0	112.8	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.36Å; F232-T264 CarbonylContact O-C 3.54Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-T264 WeakPolarHBondContact O-CB 3.39Å; A260-T264 WeakPolarHBondContact CB-O 3.48Å; A260-T264 WeakPolarHBondContact CB-OG1 3.45Å; A260-T264 PolarHBondContact N-O 2.81Å; D262-T264 PolarHBondContact O-N 3.43Å; D262-T264 WeakPolarHBondContact OD1-CB 2.94Å; D262-T264 PolarHBondContact OD1-N 2.85Å; D262-T264 VanDerWaalsContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3Å
265	F	98.5	Very high	96.9	Very high	26 Å²	26	50.2 Å²	50.2	11%	0.114	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	164.1	-179.9	-64.8	-88.5	0	0	0	111.7	D54 G231 F232 Y233 A235 T257 R258 P259 R263	D54-F265 HydrophobicContact CB-CE2 3.77Å; D54-F265 HydrophobicContact CB-CZ 3.77Å; G231-F265 PolarHBondContact N-O 3.23Å; F232-F265 VanDerWaalsContact CD1-O 3.31Å; F232-F265 WeakPolarHBondContact CD1-O 3.35Å; F232-F265 HydrophobicContact CD2-CB 4.01Å; F232-F265 HydrophobicContact CE1-CB 4.28Å; F232-F265 WeakPolarHBondContact CE1-O 3.32Å; F232-F265 HydrophobicContact CE2-CB 3.53Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.19Å; F232-F265 PolarHBondContact O-N 2.78Å; Y233-F265 HydrophobicContact CD2-CE2 4.19Å; A235-F265 HydrophobicContact CB-CD1 3.74Å; A235-F265 HydrophobicContact CB-CD2 3.74Å; A235-F265 HydrophobicContact CB-CE1 3.66Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.65Å; T257-F265 HydrophobicContact CG2-CB 3.76Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.3Å; P259-F265 HydrophobicContact CB-CD1 4.46Å; P259-F265 HydrophobicContact CB-CE1 4.25Å; R263-F265 WeakPolarHBondContact O-CE2 3.4Å
266	Q	98.4	Very high	96.7	Very high	45 Å²	45	51.9 Å²	51.9	21%	0.21	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	145.9	174.4	43.2	167.2	-20.5	0	0	110.1	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.29Å; A229-Q266 WeakPolarHBondContact O-CA 3.27Å; L230-Q266 HydrophobicContact CD2-CB 3.54Å; R258-Q266 HydrophobicContact CG-CG 3.58Å; R258-Q266 PolarHBondContact N-O 3.14Å; R258-Q266 WeakPolarHBondContact O-CG 3.03Å; R258-Q266 PolarHBondContact O-N 2.65Å
267	K	98.6	Very high	96.6	Very high	21 Å²	21	46 Å²	46	9%	0.091	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	154	177	-163.1	-176	-171.7	69.4	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.94Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.1Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.13Å; I237-K267 HydrophobicContact CG2-CB 4.28Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.27Å; L239-K267 HydrophobicContact CD2-CB 4.31Å; L239-K267 HydrophobicContact CD2-CD 4.49Å; L239-K267 HydrophobicContact CD2-CG 4.37Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 WeakPolarHBondContact O-CE 3.04Å; V255-K267 WeakPolarHBondContact O-CG 3.07Å; V255-K267 PolarHBondContact O-NZ 2.81Å; T257-K267 WeakPolarHBondContact OG1-CD 3.38Å; T257-K267 PolarHBondContact OG1-NZ 3.14Å
268	W	98.4	Very high	96.5	Very high	25 Å²	25	44.9 Å²	44.9	10%	0.095	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.7	169.2	59.1	-98.7	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.12Å; R226-W268 HydrophobicContact CG-CE3 3.9Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.11Å; C227-W268 VanDerWaalsContact O-CB 3.22Å; C227-W268 WeakPolarHBondContact O-CB 3.43Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.47Å; W228-W268 HydrophobicContact CE3-CB 3.89Å; W228-W268 AromaticContact CE3-CD1 3.88Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.4Å; W228-W268 AromaticContact CH2-CD1 3.65Å; W228-W268 HydrophobicContact CH2-CG 4.28Å; W228-W268 HydrophobicContact CZ3-CB 4.31Å; 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 4.23Å; E253-W268 HydrophobicContact CG-CH2 3.9Å; E253-W268 HydrophobicContact CG-CZ3 3.83Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.25Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.18Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.95Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.57Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.73Å; V255-W268 HydrophobicContact CG2-CZ2 4.4Å; V255-W268 WeakPolarHBondContact CG2-O 3.39Å; V255-W268 PolarHBondContact N-O 2.81Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
269	A	98.4	Very high	96.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.7	174.2	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.42Å; C227-A269 PolarHBondContact N-O 3.42Å; C227-A269 PolarHBondContact O-N 2.93Å; L239-A269 HydrophobicContact CB-CB 4.08Å; L239-A269 HydrophobicContact CD2-CB 4.37Å; W241-A269 PolarHBondContact NE1-O 3.37Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.55Å; E253-A269 WeakPolarHBondContact O-CA 3.04Å; L254-A269 HydrophobicContact CD1-CB 3.62Å
270	A	98.3	Very high	96.3	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.3	-179.2	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.84Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.13Å; R226-A270 HydrophobicContact CB-CB 4.08Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.55Å; T252-A270 WeakPolarHBondContact CA-O 3.45Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.06Å; E253-A270 PolarHBondContact O-N 3.36Å; W268-A270 HydrophobicContact CE3-CB 3.94Å; W268-A270 HydrophobicContact CZ3-CB 3.65Å
271	V	98.1	Very high	96.4	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.6	174.4	-72.9	0	0	0	0	109.4	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.2Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3Å; L225-V271 PolarHBondContact O-N 2.91Å; W241-V271 HydrophobicContact CB-CG1 3.68Å; W241-V271 HydrophobicContact CB-CG2 4.43Å; W241-V271 HydrophobicContact CD2-CG1 4.34Å; W241-V271 HydrophobicContact CD2-CG2 3.63Å; W241-V271 HydrophobicContact CE3-CG2 4.02Å; W241-V271 HydrophobicContact CG-CB 4.39Å; W241-V271 HydrophobicContact CG-CG1 3.62Å; W241-V271 HydrophobicContact CG-CG2 3.84Å; W241-V271 HydrophobicContact CZ2-CG2 4.29Å; Q248-V271 HydrophobicContact CB-CG1 4.4Å; T252-V271 HydrophobicContact CG2-CG1 4.35Å; T252-V271 VanDerWaalsContact OG1-CG1 3.25Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.18Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.1Å
272	V	97.8	Very high	96.6	Very high	75 Å²	75	39.5 Å²	39.5	46%	0.455	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.9	168.6	-179.6	0	0	0	0	107.9	I218 E222 A223	I218-V272 HydrophobicContact CD1-CG1 4.04Å; I218-V272 HydrophobicContact CD1-CG2 4.09Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.31Å
273	V	96.8	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.5	-175.7	-52.8	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 PolarHBondContact N-O 2.96Å; A223-V273 WeakPolarHBondContact O-CG2 3.36Å; A223-V273 PolarHBondContact O-N 3.45Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.17Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.51Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.7	Very high	97.1	Very high	46 Å²	46	33 Å²	33	30%	0.299	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	141.5	170.5	-20.6	32.5	0	0	0	111.2	H221 G276 E277	H221-P274 CarbonylContact O-C 3.53Å; H221-P274 WeakPolarHBondContact O-CA 3.31Å; P274-G276 PolarHBondContact O-N 3.19Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.32Å
275	S	93.3	Very high	97.1	Very high	56 Å²	56	32.3 Å²	32.3	39%	0.392	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.8	176.7	-62.5	0	0	0	0	111.3	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 2.94Å; H221-S275 PolarHBondContact O-OG 2.75Å; E222-S275 PolarHBondContact N-OG 3.14Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å
276	G	92.2	Very high	97.1	Very high	67 Å²	67	34 Å²	34	69%	0.691	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.7	-7.1	-176.6	0	0	0	0	0	114.7	P274 E278	P274-G276 PolarHBondContact O-N 3.19Å; G276-E278 WeakPolarHBondContact CA-OE2 3.38Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.27Å
277	E	95.8	Very high	97	Very high	52 Å²	52	32.3 Å²	32.3	24%	0.243	18%	0.18	C	C	.	.			trans	-99.7	3.2	175.8	-65.4	-158.8	-161.3	0	0	113.8	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.54Å; R243-E277 IonicContact NE-OE2 3.55Å; R243-E277 IonicContact NH2-OE1 3.69Å; R243-E277 IonicContact NH2-OE2 2.65Å; R243-E277 PolarHBondContact NH2-OE2 3.06Å; P274-E277 HydrophobicContact CB-CB 4.34Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 WeakPolarHBondContact O-CB 3.2Å; P274-E277 PolarHBondContact O-N 3.32Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.84Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.06Å; E277-R280 IonicContact OE1-NH1 3.54Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.17Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E277-Y281 HydrophobicContact CB-CE2 4.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å
278	E	95.2	Very high	96.7	Very high	19 Å²	19	34.9 Å²	34.9	9%	0.089	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.2	-171	-57.6	81.5	-179.2	0	0	112.5	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.51Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CG 4.36Å; V273-E278 HydrophobicContact CG2-CG 3.93Å; S275-E278 WeakPolarHBondContact CA-OE1 3.3Å; G276-E278 WeakPolarHBondContact CA-OE2 3.38Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.06Å; G276-E278 PolarHBondContact N-OE2 3.27Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.36Å; E278-Y281 PolarHBondContact O-N 2.84Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å
279	Q	95.4	Very high	96.5	Very high	87 Å²	87	34.6 Å²	34.6	41%	0.407	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-73	-14.7	-179.5	-63.5	-56.9	-46.8	0	0	114.3	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 2.84Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 3.41Å
280	R	96.9	Very high	96.4	Very high	97 Å²	97	35.8 Å²	35.8	37%	0.366	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-77	-17.1	172.6	-63.5	173.6	66.9	180	4.9	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.36Å; R243-R280 HydrophobicContact CG-CB 4.38Å; D244-R280 PolarHBondContact N-O 3.21Å; D244-R280 WeakPolarHBondContact OD1-CB 3.25Å; D244-R280 IonicContact OD1-NE 3.56Å; D244-R280 PolarHBondContact OD1-NE 3.32Å; D244-R280 IonicContact OD2-CZ 3.1Å; D244-R280 IonicContact OD2-NE 2.72Å; D244-R280 PolarHBondContact OD2-NE 3.35Å; D244-R280 IonicContact OD2-NH2 2.63Å; D244-R280 PolarHBondContact OD2-NH2 3.16Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.35Å; E277-R280 PolarHBondContact O-N 3.06Å; E277-R280 IonicContact OE1-NH1 3.54Å; E277-R280 IonicContact OE2-CZ 3.49Å; E277-R280 IonicContact OE2-NE 3.17Å; E277-R280 IonicContact OE2-NH1 2.73Å; E277-R280 PolarHBondContact OE2-NH1 3.49Å; E278-R280 VanDerWaalsContact C-N 3.26Å; E278-R280 PolarHBondContact O-N 3.36Å
281	Y	97.7	Very high	96.1	Very high	8 Å²	8	42 Å²	42	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.5	-177.7	-67.4	-98.1	0	0	0	111.3	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.19Å; R243-Y281 HydrophobicContact CB-CD1 4.04Å; R243-Y281 HydrophobicContact CB-CE1 3.81Å; R243-Y281 WeakPolarHBondContact CD-OH 3.44Å; R243-Y281 HydrophobicContact CG-CD1 4.39Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.14Å; Q248-Y281 HydrophobicContact CG-CE1 4.4Å; V271-Y281 HydrophobicContact CG2-CD1 4.1Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.77Å; V273-Y281 HydrophobicContact CG1-CD2 3.57Å; V273-Y281 HydrophobicContact CG1-CE1 3.7Å; V273-Y281 HydrophobicContact CG1-CE2 3.51Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.32Å; E277-Y281 WeakPolarHBondContact O-CD2 3.32Å; E278-Y281 PolarHBondContact O-N 2.84Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282	T	98.1	Very high	95.9	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.074	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.5	175.4	46.5	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.42Å; W241-T282 VanDerWaalsContact CE3-C 3.41Å; Q242-T282 PolarHBondContact N-O 2.9Å; Q242-T282 PolarHBondContact O-N 2.99Å; T282-H284 PolarHBondContact O-CD2 2.98Å; T282-H284 PolarHBondContact OG1-NE2 3.16Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.46Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283	C	98.3	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130	169.8	174.1	0	0	0	0	109.7	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.29Å; C227-C283 WeakPolarHBondContact SG-CB 3.39Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.26Å; T240-C283 CarbonylContact O-C 3.53Å; T240-C283 WeakPolarHBondContact O-CA 3.14Å; W241-C283 HydrophobicContact CD2-CB 4.13Å; W241-C283 HydrophobicContact CE3-CB 4.08Å; W241-C283 HydrophobicContact CH2-CB 3.99Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 4Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.33Å; C283-L296 PolarHBondContact O-N 2.84Å
284	H	97.9	Very high	95.8	Very high	35 Å²	35	52 Å²	52	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	129.2	177.3	-62.9	-105.5	0	0	0	109.9	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.46Å; T240-H284 PolarHBondContact N-O 2.7Å; T240-H284 PolarHBondContact O-N 3.16Å; T240-H284 WeakPolarHBondContact OG1-CB 3.19Å; Q242-H284 PolarHBondContact OE1-NE2 3.24Å; T282-H284 PolarHBondContact O-CD2 2.98Å; T282-H284 PolarHBondContact OG1-NE2 3.16Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact ND1-OG1 3.35Å
285	V	98.3	Very high	95.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	122.9	-177.7	-174.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.45Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.07Å; I237-V285 HydrophobicContact CD1-CG1 4.06Å; I237-V285 HydrophobicContact CG1-CG1 4.38Å; T238-V285 WeakPolarHBondContact O-CA 3.5Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.34Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.27Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.42Å; V285-L294 PolarHBondContact O-N 3.19Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
286	Q	97.7	Very high	96.1	Very high	61 Å²	61	52.8 Å²	52.8	29%	0.285	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133	173.8	-52.3	-176.8	11	0	0	109.7	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.41Å; T238-Q286 PolarHBondContact N-O 3.48Å; T238-Q286 PolarHBondContact O-N 2.86Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
287	H	96.4	Very high	96.2	Very high	11 Å²	11	56.4 Å²	56.4	5%	0.051	28%	0.283	C	S	.	.			trans	-160.9	145.3	-177.9	-176.6	-95.5	0	0	0	108.5	D207 P209 F232 Y233 P234 E236 I237 G289 L290	D207-H287 PolarHBondContact O-CE1 2.97Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.75Å; F232-H287 AromaticContact CD2-NE2 3.61Å; Y233-H287 PolarHBondContact O-CE1 3.18Å; P234-H287 PolarHBondContact O-NE2 2.91Å; E236-H287 PolarHBondContact O-CD2 3.31Å; E236-H287 VanDerWaalsContact O-CD2 3.27Å; I237-H287 HydrophobicContact CD1-CB 4.38Å; I237-H287 HydrophobicContact CG1-CB 4.11Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3Å; H287-G289 PolarHBondContact O-N 3.04Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 3.46Å
288	E	93.9	Very high	96.3	Very high	74 Å²	74	56.1 Å²	56.1	35%	0.346	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-32.2	-178.1	55.6	160.3	-136.6	0	0	114	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CB 4.23Å; W23-E288 HydrophobicContact CE3-CB 4Å; W23-E288 HydrophobicContact CE3-CG 4.39Å; A206-E288 HydrophobicContact CB-CG 4.03Å; A206-E288 WeakPolarHBondContact CB-OE1 3.27Å; P234-E288 WeakPolarHBondContact CD-OE1 3.31Å; P234-E288 VanDerWaalsContact CG-CD 3.48Å; P234-E288 HydrophobicContact CG-CG 3.81Å; P234-E288 WeakPolarHBondContact CG-OE1 3.35Å; E288-L290 PolarHBondContact O-N 3.43Å; E288-L290 VanDerWaalsContact O-N 3.16Å
289	G	94.1	Very high	96	Very high	19 Å²	19	63.1 Å²	63.1	20%	0.196	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.4	175.4	0	0	0	0	0	113.9	H287	H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 3Å; H287-G289 PolarHBondContact O-N 3.04Å
290	L	95.4	Very high	95.4	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	32%	0.317	C	S	.	.			trans	-98.3	124.8	176.5	-64.4	170.8	0	0	0	110.2	P208 P209 V285 H287 E288 K292 L294	P208-L290 HydrophobicContact CB-CD2 3.91Å; P208-L290 HydrophobicContact CB-CG 4.49Å; P209-L290 HydrophobicContact CG-CD1 3.84Å; P209-L290 HydrophobicContact CG-CD2 4.45Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 4Å; H287-L290 HydrophobicContact CB-CG 4.2Å; H287-L290 WeakPolarHBondContact O-CB 3.33Å; H287-L290 PolarHBondContact O-N 3.46Å; E288-L290 PolarHBondContact O-N 3.43Å; E288-L290 VanDerWaalsContact O-N 3.16Å; L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.48Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.5Å
291	P	92.9	Very high	93.7	Very high	131 Å²	131	63 Å²	63	85%	0.851	33%	0.334	S	S	*	.	S	Bend	trans	-66.5	-22.9	178	27.7	-35.2	0	0	0	112.7
292	K	93.8	Very high	91.4	Very high	163 Å²	163	68 Å²	68	71%	0.709	37%	0.37	S	S	*	.	S	Bend	trans	-146	149.3	173.7	-64.9	-176.4	-177.9	177.5	0	108.9	L290 L294	L290-K292 WeakPolarHBondContact CB-O 3.38Å; L290-K292 PolarHBondContact O-N 3.48Å; K292-L294 PolarHBondContact O-N 2.86Å
293	P	95.8	Very high	88.9	Confident	68 Å²	68	75.4 Å²	75.4	44%	0.442	40%	0.404	S	S	.	.			trans	-51.5	140	171.1	-28.4	36.6	0	0	0	112.2	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.27Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.07Å
294	L	96.8	Very high	86.2	Confident	59 Å²	59	79.6 Å²	79.6	31%	0.309	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	145.8	173.4	-63.3	177.6	0	0	0	110.1	T211 H284 V285 L290 K292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.34Å; V285-L294 PolarHBondContact N-O 3.42Å; V285-L294 PolarHBondContact O-N 3.19Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 3.86Å; L290-L294 HydrophobicContact CD2-CD1 3.72Å; L290-L294 HydrophobicContact CD2-CG 3.99Å; L290-L294 HydrophobicContact CG-CD1 4.5Å; K292-L294 PolarHBondContact O-N 2.86Å
295	T	97.8	Very high	83.8	Confident	85 Å²	85	83.7 Å²	83.7	52%	0.521	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	120.6	171	-56.4	0	0	0	0	108	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.52Å; C283-T295 WeakPolarHBondContact O-CA 3.38Å; H284-T295 PolarHBondContact ND1-OG1 3.35Å
296	L	97.1	Very high	81.6	Confident	35 Å²	35	88.3 Å²	88.3	18%	0.183	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.6	-173.6	-61.1	154.4	0	0	0	109.3	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.46Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.47Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.46Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.33Å; C283-L296 PolarHBondContact O-N 2.84Å; V285-L296 HydrophobicContact CG2-CD1 3.99Å
297	R	96.1	Very high	79.6	Confident	142 Å²	142	89.3 Å²	89.3	54%	0.536	50%	0.496	S	S	.	.			trans	-117.4	161.4	166.6	-70.7	-174.9	176	172.4	-2.8	108.9	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.6Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 2.9Å
298	W	95.9	Very high	77.9	Confident	46 Å²	46	94.5 Å²	94.5	17%	0.174	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-68.2	120.1	166.7	171.8	57	0	0	0	109.5	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.49Å; V213-W298 HydrophobicContact CG1-CB 3.85Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 3.96Å; H215-W298 VanDerWaalsContact CB-NE1 3.26Å; H215-W298 AromaticContact CG-CE2 3.77Å; H215-W298 AromaticContact CG-CZ2 3.77Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.38Å; L225-W298 HydrophobicContact CD2-CB 3.8Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.93Å; E278-W298 HydrophobicContact CB-CD2 4.43Å; E278-W298 HydrophobicContact CB-CE3 3.42Å; E278-W298 VanDerWaalsContact CB-CE3 3.42Å; E278-W298 HydrophobicContact CB-CZ3 3.84Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.75Å; Q279-W298 PolarHBondContact NE2-O 3.41Å; W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å
299	E	89.7	Confident	76.4	Confident	166 Å²	166	96.8 Å²	96.8	78%	0.776	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-98.7	119.1	168.3	-70.4	-177.5	173.4	0	0	108.2	R297 S301	R297-E299 PolarHBondContact O-N 2.9Å; E299-S301 PolarHBondContact O-N 3.46Å; E299-S301 VanDerWaalsContact O-N 3.09Å
300	P	82.2	Confident	75.1	Confident	80 Å²	80	98 Å²	98	52%	0.519	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-56	121.1	170.5	-19.9	30.4	0	0	0	107.5	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.39Å; W298-P300 HydrophobicContact CH2-CB 4.28Å; W298-P300 HydrophobicContact CH2-CG 3.95Å; W298-P300 HydrophobicContact CZ2-CB 4.06Å; W298-P300 HydrophobicContact CZ2-CG 4.08Å; W298-P300 HydrophobicContact CZ3-CG 4.1Å; P300-S302 PolarHBondContact O-N 3.05Å
301	S	62.9	Low	74.1	Confident	103 Å²	103	101.2 Å²	101.2	72%	0.72	57%	0.57	S	S	*	*			trans	-50.7	112.3	-178.8	47.1	0	0	0	0	108.8	E299 Q303	E299-S301 PolarHBondContact O-N 3.46Å; E299-S301 VanDerWaalsContact O-N 3.09Å; S301-Q303 PolarHBondContact O-N 3.34Å
302	S	48.3	Very low	73.4	Confident	113 Å²	113	99.3 Å²	99.3	79%	0.79	56%	0.556	S	S	*	*			trans	-69.2	75.5	162	62	0	0	0	0	106.2	P300 S304	P300-S302 PolarHBondContact O-N 3.05Å; S302-S304 PolarHBondContact O-N 3.38Å
303	Q	44.9	Very low	72.6	Confident	166 Å²	166	94 Å²	94	78%	0.776	54%	0.543	S	S	*	.			trans	-59.7	86.6	144.2	-83.6	-173.4	-14.7	0	0	103.9	S301 T305	S301-Q303 PolarHBondContact O-N 3.34Å; Q303-T305 PolarHBondContact O-N 2.88Å; Q303-T305 PolarHBondContact O-OG1 2.79Å
304	S	41.7	Very low	72	Confident	89 Å²	89	92.5 Å²	92.5	62%	0.622	54%	0.54	S	S	*	.			trans	-53.5	97	161.9	-176.9	0	0	0	0	103.2	S302 I306	S302-S304 PolarHBondContact O-N 3.38Å; S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 WeakPolarHBondContact OG-CG1 3.48Å
305	T	47.5	Very low	71.5	Confident	121 Å²	121	94.9 Å²	94.9	74%	0.742	55%	0.552	S	S	*	*			trans	-70.1	70.9	162.1	-49.1	0	0	0	0	102.7	Q303 P307	Q303-T305 PolarHBondContact O-N 2.88Å; Q303-T305 PolarHBondContact O-OG1 2.79Å; T305-P307 WeakPolarHBondContact O-CD 3.24Å
306	I	52.4	Low	70.8	Confident	97 Å²	97	93.3 Å²	93.3	50%	0.497	55%	0.548	S	S	.	.			trans	-46.9	118.4	154.4	-61.1	179.1	0	0	0	101.7	S304 I308 I311	S304-I306 PolarHBondContact O-N 3.49Å; S304-I306 WeakPolarHBondContact OG-CG1 3.48Å; I306-I308 PolarHBondContact O-N 2.91Å; I306-I311 HydrophobicContact CG2-CD1 3.99Å
307	P	55.8	Low	70.3	Confident	81 Å²	81	96.2 Å²	96.2	53%	0.526	57%	0.567	S	S	.	*			trans	-71.9	81.4	-173.2	28.7	-32.6	0	0	0	106.2	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.24Å; P307-V309 PolarHBondContact O-N 3.23Å; P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 3.41Å; P307-I311 PolarHBondContact O-N 3.43Å
308	I	61.1	Low	69.9	Low	121 Å²	121	94.7 Å²	94.7	62%	0.621	57%	0.569	S	S	*	*	H	α-helix	trans	-55.3	-34.9	175.2	-67.8	167.5	0	0	0	107.4	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 2.91Å; I308-G310 PolarHBondContact O-N 3Å; I308-I311 PolarHBondContact O-N 3.31Å; I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.3Å
309	V	61.9	Low	69.4	Low	122 Å²	122	94.9 Å²	94.9	74%	0.739	58%	0.58	S	S	*	*	H	α-helix	trans	-59.7	-42.2	170.7	-178.1	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.23Å; V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.1Å
310	G	67.6	Low	69.2	Low	43 Å²	43	91.9 Å²	91.9	44%	0.443	57%	0.573	S	S	.	*	H	α-helix	trans	-68.5	-38.6	178.6	0	0	0	0	0	113.1	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 3.41Å; I308-G310 PolarHBondContact O-N 3Å; G310-G314 PolarHBondContact O-N 3.03Å
311	I	74.4	Confident	69.5	Low	94 Å²	94	92.6 Å²	92.6	48%	0.482	58%	0.575	S	S	.	*	H	α-helix	trans	-69.2	-44.2	175.7	-62.2	173.9	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.99Å; P307-I311 PolarHBondContact O-N 3.43Å; I308-I311 PolarHBondContact O-N 3.31Å; I311-G314 PolarHBondContact O-N 2.88Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.23Å
312	V	76.7	Confident	70.5	Confident	91 Å²	91	91.6 Å²	91.6	55%	0.552	57%	0.565	S	S	*	*	H	α-helix	trans	-65.2	-43.2	177.9	172	0	0	0	0	111.2	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.25Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.23Å; I308-V312 PolarHBondContact O-N 3.3Å; V312-L315 PolarHBondContact O-N 3.37Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.42Å
313	A	77.4	Confident	72.2	Confident	52 Å²	52	91.4 Å²	91.4	43%	0.43	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-43.4	174.8	0	0	0	0	0	111.6	V309 A316 V317	V309-A313 WeakPolarHBondContact O-CB 3.44Å; V309-A313 PolarHBondContact O-N 3.1Å; A313-A316 PolarHBondContact O-N 3.46Å; A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.9Å
314	G	82.8	Confident	74.1	Confident	36 Å²	36	85.4 Å²	85.4	37%	0.371	54%	0.536	S	S	.	.	H	α-helix	trans	-60.4	-45.2	176.3	0	0	0	0	0	112.8	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3.03Å; I311-G314 PolarHBondContact O-N 2.88Å; G314-V317 PolarHBondContact O-N 3.08Å; G314-L318 WeakPolarHBondContact O-CB 3.13Å; G314-L318 PolarHBondContact O-N 3.32Å
315	L	86.4	Confident	76	Confident	109 Å²	109	83.8 Å²	83.8	57%	0.571	53%	0.528	S	S	*	.	H	α-helix	trans	-66.4	-38.7	177.1	-73.3	171.6	0	0	0	112.5	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.26Å; I311-L315 WeakPolarHBondContact O-CG 3.42Å; I311-L315 PolarHBondContact O-N 3.23Å; V312-L315 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 2.91Å; L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 3.26Å
316	A	84.6	Confident	77.6	Confident	53 Å²	53	81.9 Å²	81.9	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-43.6	176.4	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.42Å; A313-A316 PolarHBondContact O-N 3.46Å; A316-A319 PolarHBondContact O-N 3.11Å; A316-V320 WeakPolarHBondContact O-CG2 3.26Å; A316-V320 PolarHBondContact O-N 3.13Å
317	V	85.6	Confident	79	Confident	96 Å²	96	81 Å²	81	58%	0.582	52%	0.515	S	S	*	.	H	α-helix	trans	-63.2	-44.5	176	173.3	0	0	0	0	110.9	A313 G314 A319 V320 V321	A313-V317 WeakPolarHBondContact O-CG2 3.47Å; A313-V317 PolarHBondContact O-N 2.9Å; G314-V317 PolarHBondContact O-N 3.08Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.83Å; V317-V320 PolarHBondContact O-N 2.98Å; V317-V321 HydrophobicContact CG1-CG2 4.44Å; V317-V321 WeakPolarHBondContact O-CG2 3.41Å; V317-V321 PolarHBondContact O-N 2.87Å
318	L	86.9	Confident	80	Confident	110 Å²	110	79.6 Å²	79.6	58%	0.576	51%	0.511	S	S	*	.	H	α-helix	trans	-58.6	-44.7	175.9	-108.7	154.3	0	0	0	112.1	G314 L315 V320 V321 V322	G314-L318 WeakPolarHBondContact O-CB 3.13Å; G314-L318 PolarHBondContact O-N 3.32Å; L315-L318 PolarHBondContact O-N 2.91Å; L318-V320 PolarHBondContact O-N 3.22Å; L318-V321 PolarHBondContact O-N 3.46Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.47Å
319	A	85.4	Confident	80.6	Confident	49 Å²	49	77.9 Å²	77.9	41%	0.405	51%	0.506	S	S	.	.	H	α-helix	trans	-61.5	-43.4	177.2	0	0	0	0	0	112.1	L315 A316 V317 V321 V322 I323	L315-A319 WeakPolarHBondContact O-CB 3.48Å; L315-A319 PolarHBondContact O-N 3.26Å; A316-A319 PolarHBondContact O-N 3.11Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.83Å; A319-V321 PolarHBondContact O-N 3.08Å; A319-V322 PolarHBondContact O-N 2.73Å; A319-I323 WeakPolarHBondContact O-CB 3.33Å; A319-I323 WeakPolarHBondContact O-CD1 3.42Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.09Å; A319-I323 PolarHBondContact O-N 2.94Å
320	V	86.6	Confident	81.2	Confident	104 Å²	104	75.9 Å²	75.9	63%	0.63	49%	0.494	S	S	*	.	H	α-helix	trans	-63.3	-42.4	177.1	173	0	0	0	0	111.4	A316 V317 L318 I323 G324	A316-V320 WeakPolarHBondContact O-CG2 3.26Å; A316-V320 PolarHBondContact O-N 3.13Å; V317-V320 PolarHBondContact O-N 2.98Å; L318-V320 PolarHBondContact O-N 3.22Å; V320-I323 PolarHBondContact O-N 3.26Å; V320-G324 PolarHBondContact O-N 3.26Å
321	V	87.7	Confident	81.5	Confident	94 Å²	94	80 Å²	80	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-63.7	-44	177.6	172.1	0	0	0	0	111.2	V317 L318 A319 G324 A325	V317-V321 HydrophobicContact CG1-CG2 4.44Å; V317-V321 WeakPolarHBondContact O-CG2 3.41Å; V317-V321 PolarHBondContact O-N 2.87Å; L318-V321 PolarHBondContact O-N 3.46Å; A319-V321 PolarHBondContact O-N 3.08Å; V321-G324 PolarHBondContact O-N 2.9Å; V321-A325 WeakPolarHBondContact O-CB 3.4Å; V321-A325 PolarHBondContact O-N 3.11Å
322	V	85.3	Confident	81.1	Confident	82 Å²	82	79.9 Å²	79.9	50%	0.497	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-45.7	178.2	172.8	0	0	0	0	110.8	L318 A319 G324 A325 V326	L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.44Å; L318-V322 PolarHBondContact O-N 3.47Å; A319-V322 PolarHBondContact O-N 2.73Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.91Å; V322-A325 PolarHBondContact O-N 3.48Å; V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 3.39Å
323	I	84.3	Confident	80.5	Confident	109 Å²	109	85 Å²	85	56%	0.559	52%	0.519	S	S	*	.	H	α-helix	trans	-60.9	-44.8	176.4	-67.6	165.5	0	0	0	110.3	A319 V320 A325 V326 V327	A319-I323 WeakPolarHBondContact O-CB 3.33Å; A319-I323 WeakPolarHBondContact O-CD1 3.42Å; A319-I323 VanDerWaalsContact O-CG1 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.09Å; A319-I323 PolarHBondContact O-N 2.94Å; V320-I323 PolarHBondContact O-N 3.26Å; I323-A325 PolarHBondContact O-N 2.93Å; I323-V326 PolarHBondContact O-N 3Å; I323-V327 HydrophobicContact CG2-CG2 4.35Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.38Å; I323-V327 PolarHBondContact O-N 3.05Å
324	G	83.5	Confident	79.5	Confident	40 Å²	40	92.3 Å²	92.3	41%	0.412	54%	0.536	S	S	.	.	H	α-helix	trans	-58.9	-43.9	176.2	0	0	0	0	0	112.8	V320 V321 V322 V327 A328	V320-G324 PolarHBondContact O-N 3.26Å; V321-G324 PolarHBondContact O-N 2.9Å; V322-G324 VanDerWaalsContact C-N 3.33Å; V322-G324 PolarHBondContact O-N 2.91Å; G324-V327 PolarHBondContact O-N 2.85Å; G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 3.4Å
325	A	81.7	Confident	78.1	Confident	55 Å²	55	99.9 Å²	99.9	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-65.8	-39.5	177.4	0	0	0	0	0	112.6	V321 V322 I323 A328 T329	V321-A325 WeakPolarHBondContact O-CB 3.4Å; V321-A325 PolarHBondContact O-N 3.11Å; V322-A325 PolarHBondContact O-N 3.48Å; I323-A325 PolarHBondContact O-N 2.93Å; A325-A328 PolarHBondContact O-N 3.26Å; A325-T329 WeakPolarHBondContact O-CB 3.3Å; A325-T329 PolarHBondContact O-N 3.35Å; A325-T329 PolarHBondContact O-OG1 2.88Å
326	V	82.4	Confident	76.6	Confident	81 Å²	81	99.3 Å²	99.3	49%	0.491	56%	0.563	S	S	.	*	H	α-helix	trans	-65.9	-44.8	175.7	172.8	0	0	0	0	110.8	V322 I323 A328 T329 V330	V322-V326 HydrophobicContact CG1-CG2 4.45Å; V322-V326 VanDerWaalsContact O-CG2 3.29Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 3.39Å; I323-V326 PolarHBondContact O-N 3Å; V326-A328 PolarHBondContact O-N 2.75Å; V326-T329 WeakPolarHBondContact CA-OG1 3.31Å; V326-T329 PolarHBondContact O-N 3.37Å; V326-T329 PolarHBondContact O-OG1 3.26Å; V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.45Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 2.8Å
327	V	80.8	Confident	75	Confident	78 Å²	78	101.4 Å²	101.4	47%	0.473	58%	0.575	S	S	.	*	H	α-helix	trans	-62.8	-44.3	176.7	173	0	0	0	0	110.8	I323 G324 T329 V330 M331	I323-V327 HydrophobicContact CG2-CG2 4.35Å; I323-V327 VanDerWaalsContact O-CG2 3.31Å; I323-V327 WeakPolarHBondContact O-CG2 3.38Å; I323-V327 PolarHBondContact O-N 3.05Å; G324-V327 PolarHBondContact O-N 2.85Å; V327-T329 PolarHBondContact O-N 2.96Å; V327-V330 PolarHBondContact O-N 2.75Å; V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.4Å; V327-M331 PolarHBondContact O-N 3.31Å
328	A	75.9	Confident	73.2	Confident	53 Å²	53	100.4 Å²	100.4	44%	0.438	58%	0.584	S	S	.	*	H	α-helix	trans	-61.7	-43.9	177.3	0	0	0	0	0	112.3	G324 A325 V326 M331 C332	G324-A328 WeakPolarHBondContact O-CB 3.39Å; G324-A328 PolarHBondContact O-N 3.4Å; A325-A328 PolarHBondContact O-N 3.26Å; V326-A328 PolarHBondContact O-N 2.75Å; A328-M331 PolarHBondContact O-N 2.95Å; A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 2.72Å; A328-C332 PolarHBondContact O-SG 3.34Å; A328-C332 VanDerWaalsContact O-SG 3.41Å
329	T	74.6	Confident	71.1	Confident	85 Å²	85	98.6 Å²	98.6	52%	0.521	59%	0.592	S	S	.	*	H	α-helix	trans	-67	-39.5	177.2	41.7	0	0	0	0	112.5	A325 V326 V327 C332 R333	A325-T329 WeakPolarHBondContact O-CB 3.3Å; A325-T329 PolarHBondContact O-N 3.35Å; A325-T329 PolarHBondContact O-OG1 2.88Å; V326-T329 WeakPolarHBondContact CA-OG1 3.31Å; V326-T329 PolarHBondContact O-N 3.37Å; V326-T329 PolarHBondContact O-OG1 3.26Å; V327-T329 PolarHBondContact O-N 2.96Å; T329-C332 PolarHBondContact O-N 3.42Å; T329-R333 WeakPolarHBondContact O-CB 3.24Å; T329-R333 PolarHBondContact O-N 3.36Å
330	V	74.8	Confident	68.8	Low	80 Å²	80	106.5 Å²	106.5	49%	0.485	62%	0.617	S	S	.	*	H	α-helix	trans	-65.4	-42.6	174.6	171.1	0	0	0	0	111.2	V326 V327 R333 R334	V326-V330 HydrophobicContact CG1-CG2 4.38Å; V326-V330 WeakPolarHBondContact O-CB 3.45Å; V326-V330 VanDerWaalsContact O-CG2 3.26Å; V326-V330 WeakPolarHBondContact O-CG2 3.42Å; V326-V330 PolarHBondContact O-N 2.8Å; V327-V330 PolarHBondContact O-N 2.75Å; V330-R333 PolarHBondContact O-N 3.04Å; V330-R334 WeakPolarHBondContact O-CB 3.5Å; V330-R334 PolarHBondContact O-N 3.06Å
331	M	72.8	Confident	66.4	Low	129 Å²	129	105.2 Å²	105.2	64%	0.635	63%	0.625	S	S	*	*	H	α-helix	trans	-65.2	-41	176.4	-74.2	-174.3	70.9	0	0	112.3	V327 A328 R334 K335	V327-M331 HydrophobicContact CG1-CG 4.37Å; V327-M331 HydrophobicContact CG1-SD 4.06Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.4Å; V327-M331 PolarHBondContact O-N 3.31Å; A328-M331 PolarHBondContact O-N 2.95Å; M331-R334 PolarHBondContact O-N 3.28Å; M331-K335 WeakPolarHBondContact O-CB 3.17Å; M331-K335 PolarHBondContact O-N 2.87Å
332	C	66.9	Low	64	Low	91 Å²	91	104.7 Å²	104.7	62%	0.615	64%	0.638	S	S	*	*	H	α-helix	trans	-61.3	-43	172.8	-78	0	0	0	0	111.6	A328 T329 K335 S336	A328-C332 WeakPolarHBondContact O-CB 3.42Å; A328-C332 PolarHBondContact O-N 2.72Å; A328-C332 PolarHBondContact O-SG 3.34Å; A328-C332 VanDerWaalsContact O-SG 3.41Å; T329-C332 PolarHBondContact O-N 3.42Å; C332-K335 PolarHBondContact O-N 3.15Å; C332-S336 PolarHBondContact O-N 3.46Å; C332-S336 PolarHBondContact O-OG 2.98Å
333	R	63.8	Low	61.5	Low	200 Å²	200	106.6 Å²	106.6	76%	0.755	66%	0.655	S	S	*	*	H	α-helix	trans	-65.2	-39.1	176.1	-83.6	-175.4	143.2	164.4	-4.3	113.1	T329 V330 K335 S336 S337	T329-R333 WeakPolarHBondContact O-CB 3.24Å; T329-R333 PolarHBondContact O-N 3.36Å; V330-R333 PolarHBondContact O-N 3.04Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.15Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-N 3.33Å; R333-S336 PolarHBondContact O-OG 3.09Å; R333-S337 PolarHBondContact O-N 3.18Å
334	R	57.4	Low	59.2	Low	205 Å²	205	112 Å²	112	77%	0.774	67%	0.67	S	S	*	*	H	α-helix	trans	-67.4	-31	176.4	-121	179.4	172.3	179.5	-2.4	112.5	V330 M331 S336	V330-R334 WeakPolarHBondContact O-CB 3.5Å; V330-R334 PolarHBondContact O-N 3.06Å; M331-R334 PolarHBondContact O-N 3.28Å; R334-S336 VanDerWaalsContact C-N 3.35Å
335	K	53.5	Low	56.9	Low	195 Å²	195	116 Å²	116	85%	0.848	69%	0.691	S	S	*	*	H	α-helix	trans	-75.7	-22.6	176.2	-159.6	171.5	-179.1	179.3	0	112.8	M331 C332 R333	M331-K335 WeakPolarHBondContact O-CB 3.17Å; M331-K335 PolarHBondContact O-N 2.87Å; C332-K335 PolarHBondContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.31Å; R333-K335 PolarHBondContact O-N 3.15Å
336	S	54.2	Low	54.7	Low	96 Å²	96	122.5 Å²	122.5	67%	0.671	71%	0.713	S	S	*	*	H	α-helix	trans	-89.5	-9.8	176.2	52.6	0	0	0	0	115.6	C332 R333 R334	C332-S336 PolarHBondContact O-N 3.46Å; C332-S336 PolarHBondContact O-OG 2.98Å; R333-S336 WeakPolarHBondContact CA-OG 3.46Å; R333-S336 PolarHBondContact O-N 3.33Å; R333-S336 PolarHBondContact O-OG 3.09Å; R334-S336 VanDerWaalsContact C-N 3.35Å
337	S	51.1	Low	52.3	Low	97 Å²	97	123 Å²	123	68%	0.678	73%	0.726	S	S	*	*	S	Bend	trans	-106.6	27.7	-174.8	82.1	0	0	0	0	114.6	R333	R333-S337 PolarHBondContact O-N 3.18Å
338	G	48.3	Very low	50.1	Low	76 Å²	76	123.8 Å²	123.8	78%	0.784	74%	0.74	S	S	*	*			trans	-114.1	76.2	175.6	0	0	0	0	0	112
339	G	42	Very low	48.1	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	76%	0.756	S	S	*	*			trans	170.8	114.8	169	0	0	0	0	0	116.9
340	K	37.8	Very low	46.4	Very low	216 Å²	216	128.1 Å²	128.1	94%	0.939	77%	0.77	S	S	*	*			trans	73	126	163.5	-76.3	164.9	172.1	169.9	0	116.6
341	G	36.8	Very low	44.7	Very low	76 Å²	76	131.8 Å²	131.8	78%	0.784	79%	0.787	S	S	*	*			cis	110.8	107.9	29.3	0	0	0	0	0	107.5
342	G	35.8	Very low	43.4	Very low	83 Å²	83	131.8 Å²	131.8	86%	0.856	80%	0.8	S	S	*	*			trans	-78.7	-178.1	-155.9	0	0	0	0	0	118.7
343	S	33.3	Very low	42	Very low	123 Å²	123	131.9 Å²	131.9	86%	0.86	81%	0.807	S	S	*	*			trans	-163.2	137.9	148.6	-171	0	0	0	0	110.7
344	Y	35.4	Very low	41.1	Very low	223 Å²	223	131.9 Å²	131.9	88%	0.875	82%	0.816	S	S	*	*			trans	-77.2	144	174.2	-92	-103.4	0	0	0	111.7
345	S	36	Very low	40.1	Very low	122 Å²	122	125.1 Å²	125.1	85%	0.853	81%	0.81	S	S	*	*			trans	-177	106	131.3	21.4	0	0	0	0	113.6
346	Q	35	Very low	39.6	Very low	193 Å²	193	121 Å²	121	90%	0.902	81%	0.806	S	S	*	*			trans	19.4	138.6	132.7	-152.1	164.1	-2.6	0	0	124.7
347	A	33.5	Very low	39.2	Very low	92 Å²	92	123 Å²	123	76%	0.76	81%	0.809	S	S	*	*			trans	82.2	115.3	145	0	0	0	0	0	122.3
348	A	33.7	Very low	38.7	Very low	94 Å²	94	123.9 Å²	123.9	78%	0.777	81%	0.81	S	S	*	*				163.1	112.1	101.2	0	0	0	0	0	109
349	S	34.7	Very low	38.5	Very low	112 Å²	112	124.8 Å²	124.8	78%	0.783	80%	0.804	S	S	*	*				58.6	107.6	103.1	-178.1	0	0	0	0	115.3
350	S	38.5	Very low	38.6	Very low	116 Å²	116	129 Å²	129	81%	0.811	81%	0.809	S	S	*	*				179.8	136.4	111.9	34.3	0	0	0	0	112.3
351	D	37.6	Very low	38.7	Very low	157 Å²	157	125.1 Å²	125.1	84%	0.84	80%	0.804	S	S	*	*			trans	-53.6	150.4	170.3	-73.8	-53.5	0	0	0	113.8
352	S	46.1	Very low	39.2	Very low	129 Å²	129	129.3 Å²	129.3	90%	0.902	83%	0.831	S	S	*	*				-166.1	147.7	112.6	6.6	0	0	0	0	112.4
353	A	38.5	Very low	39.3	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	83%	0.83	S	S	*	*			trans	-85.6	-174.3	-164.5	0	0	0	0	0	115
354	Q	43.1	Very low	39.7	Very low	200 Å²	200	132.1 Å²	132.1	94%	0.935	83%	0.829	S	S	*	*			trans	90.8	122.3	165.5	-64.2	178.6	-32.6	0	0	115.2
355	G	36.4	Very low	39.9	Very low	63 Å²	63	127.1 Å²	127.1	65%	0.649	83%	0.826	S	S	*	*			cis	177.1	155	3.5	0	0	0	0	0	109.3
356	S	45.1	Very low	40.1	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	82%	0.824	S	S	*	*			trans	43.6	142.4	136.2	-42.7	0	0	0	0	119
357	D	44	Very low	40.4	Very low	136 Å²	136	123.3 Å²	123.3	73%	0.727	82%	0.82	S	S	*	*			cis	-176.4	131.2	-2.3	-107.7	-25.1	0	0	0	103.2
358	V	41.4	Very low	40.9	Very low	116 Å²	116	125.3 Å²	125.3	70%	0.703	82%	0.824	S	S	*	*				88.1	132.1	103.3	174.3	0	0	0	0	116
359	S	42.9	Very low	41.4	Very low	95 Å²	95	127.6 Å²	127.6	66%	0.664	83%	0.827	S	S	*	*			trans	72.1	118.7	152.1	46.1	0	0	0	0	119.7
360	L	44.6	Very low	41.9	Very low	159 Å²	159	128.8 Å²	128.8	83%	0.832	83%	0.83	S	S	*	*				76.9	118.9	69.6	-92.8	160.6	0	0	0	113.8
361	T	40.8	Very low	42.2	Very low	135 Å²	135	129.8 Å²	129.8	83%	0.828	83%	0.832	S	S	*	*			trans	-175.2	113.3	132.9	16	0	0	0	0	105
362	A	46.2	Very low	42.6	Very low	165 Å²	165	127.4 Å²	127.4	100%	1.364	83%	0.831	S	S	*	*				60.6	0	78	0	0	0	0	0	111.8

Retrieved 362 of 362 residues in 1585.8 ms (Link to these results)

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