A0A090KFY5_HUMAN Loading...

HLA class I antigen

Involved in the presentation of foreign antigens to the immune system.

AlphaFold DB , UniProt , Accession A0A090KFY5, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 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	35.7	Very low	42.8	Very low	242 Å²	242	148.4 Å²	148.4	100%	1.192	75%	0.747	S	S	*	*				0	103	0	-78.6	163.4	156.7	0	0	108.2	V3	M1-V3 PolarHBondContact O-N 3.34Å
2	R	34.8	Very low	42.9	Very low	252 Å²	252	147.2 Å²	147.2	95%	0.951	74%	0.744	S	S	*	*			trans	-82.8	109.7	171.8	-94.7	179.9	173.2	166.3	-2.5	107	M4	R2-M4 PolarHBondContact O-N 3.32Å
3	V	37.2	Very low	42.5	Very low	140 Å²	140	143.8 Å²	143.8	85%	0.848	73%	0.728	S	S	*	*			trans	-71.8	108.8	171.9	178.6	0	0	0	0	106.8	M1 A5	M1-V3 PolarHBondContact O-N 3.34Å; V3-A5 PolarHBondContact O-N 3.28Å
4	M	41.4	Very low	42.6	Very low	179 Å²	179	137.9 Å²	137.9	88%	0.882	71%	0.706	S	S	*	*			trans	-82.5	100.8	176.9	-155.8	165.4	68	0	0	106.8	R2	R2-M4 PolarHBondContact O-N 3.32Å
5	A	44.8	Very low	42.5	Very low	67 Å²	67	131.1 Å²	131.1	55%	0.554	69%	0.685	S	S	*	*			trans	-60.9	141.6	172.9	0	0	0	0	0	109.4	V3 R7	V3-A5 PolarHBondContact O-N 3.28Å; A5-R7 PolarHBondContact O-N 3.47Å; A5-R7 VanDerWaalsContact O-N 3.16Å
6	P	42.1	Very low	42.3	Very low	78 Å²	78	126.3 Å²	126.3	51%	0.506	67%	0.669	S	S	.	*			trans	-68.7	117.3	-176.2	-3.3	18	0	0	0	109.1	T8 L9	P6-T8 PolarHBondContact O-N 2.87Å; P6-L9 PolarHBondContact O-N 3.4Å
7	R	49.3	Very low	41.9	Very low	221 Å²	221	125.5 Å²	125.5	83%	0.834	67%	0.665	S	S	*	*	H	α-helix	trans	-55.5	-17.5	174.8	-86	178.3	161.8	146.6	-6.2	113.6	A5	A5-R7 PolarHBondContact O-N 3.47Å; A5-R7 VanDerWaalsContact O-N 3.16Å
8	T	48.8	Very low	41.7	Very low	104 Å²	104	122.3 Å²	122.3	64%	0.638	66%	0.659	S	S	*	*	H	α-helix	trans	-72.4	-26.7	175.8	16.6	0	0	0	0	114.1	P6	P6-T8 PolarHBondContact O-N 2.87Å
9	L	43.2	Very low	41.5	Very low	111 Å²	111	122 Å²	122	58%	0.581	66%	0.656	S	S	*	*	H	α-helix	trans	-79.3	-28.2	179.8	-127.2	104.5	0	0	0	112.7	P6 L13	P6-L9 PolarHBondContact O-N 3.4Å; L9-L13 PolarHBondContact O-N 3.29Å
10	I	45.4	Very low	41.1	Very low	111 Å²	111	121.1 Å²	121.1	57%	0.569	66%	0.655	S	S	*	*	H	α-helix	trans	-73.1	-34	-178.6	-65.9	171.8	0	0	0	111.2	L13 S14	I10-L13 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-N 2.84Å; I10-S14 VanDerWaalsContact O-N 3.13Å; I10-S14 PolarHBondContact O-OG 2.71Å
11	L	47.9	Very low	40.9	Very low	127 Å²	127	123.4 Å²	123.4	67%	0.665	66%	0.662	S	S	*	*	H	α-helix	trans	-70.9	-35.8	177.4	-78.2	162.6	0	0	0	113.1	L13 S14 G15	L11-L13 VanDerWaalsContact C-N 3.33Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 3.31Å; L11-S14 PolarHBondContact O-OG 3.07Å; L11-G15 PolarHBondContact O-N 3.47Å; L11-G15 VanDerWaalsContact O-N 3.08Å
12	L	43.9	Very low	41.2	Very low	134 Å²	134	116.8 Å²	116.8	70%	0.702	64%	0.635	S	S	*	*	H	α-helix	trans	-68.7	-33.6	175.9	-75.1	165.3	0	0	0	112.2	A16	L12-A16 PolarHBondContact O-N 3.38Å
13	L	38.2	Very low	41.9	Very low	103 Å²	103	110 Å²	110	54%	0.539	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-28.9	174.2	-77.2	160.2	0	0	0	112.7	L9 I10 L11 L17	L9-L13 PolarHBondContact O-N 3.29Å; I10-L13 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å
14	S	43.2	Very low	42.7	Very low	61 Å²	61	106 Å²	106	43%	0.427	59%	0.591	S	S	.	*	H	α-helix	trans	-76.6	-32.1	175.2	10.5	0	0	0	0	112.7	I10 L11 A18	I10-S14 PolarHBondContact O-N 2.84Å; I10-S14 VanDerWaalsContact O-N 3.13Å; I10-S14 PolarHBondContact O-OG 2.71Å; L11-S14 WeakPolarHBondContact CA-OG 3.47Å; L11-S14 PolarHBondContact O-N 3.31Å; L11-S14 PolarHBondContact O-OG 3.07Å; S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.86Å; S14-A18 VanDerWaalsContact O-N 3.08Å
15	G	40.8	Very low	44.1	Very low	37 Å²	37	100.4 Å²	100.4	38%	0.381	57%	0.569	S	S	.	*	H	α-helix	trans	-67.2	-39.1	170.9	0	0	0	0	0	112.8	L11 L19	L11-G15 PolarHBondContact O-N 3.47Å; L11-G15 VanDerWaalsContact O-N 3.08Å; G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.41Å
16	A	39.3	Very low	46.3	Very low	53 Å²	53	100.8 Å²	100.8	44%	0.438	57%	0.568	S	S	.	*	H	α-helix	trans	-72.2	-37.9	176.8	0	0	0	0	0	113	L12 L19 T20	L12-A16 PolarHBondContact O-N 3.38Å; A16-L19 PolarHBondContact O-N 2.94Å; A16-T20 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-OG1 3.38Å
17	L	35.8	Very low	48.8	Very low	114 Å²	114	98.5 Å²	98.5	60%	0.597	55%	0.55	S	S	*	*	H	α-helix	trans	-70.1	-34.5	176.4	-80.1	161.1	0	0	0	112.5	L13 L19 T20	L13-L17 WeakPolarHBondContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CD1 3.5Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.44Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 2.9Å; L17-T20 PolarHBondContact O-N 3.28Å; L17-T20 PolarHBondContact O-OG1 2.87Å; L17-T20 VanDerWaalsContact O-OG1 3.09Å
18	A	38.3	Very low	51.1	Low	67 Å²	67	89.1 Å²	89.1	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-68.5	-24.1	174.1	0	0	0	0	0	113.2	S14	S14-A18 VanDerWaalsContact O-CB 3.31Å; S14-A18 WeakPolarHBondContact O-CB 3.41Å; S14-A18 PolarHBondContact O-N 2.86Å; S14-A18 VanDerWaalsContact O-N 3.08Å
19	L	37.5	Very low	53.5	Low	117 Å²	117	84.1 Å²	84.1	61%	0.613	49%	0.488	S	S	*	.	H	α-helix	trans	-84.9	-16.8	177.5	-84.7	159.2	0	0	0	113.6	G15 A16 L17	G15-L19 WeakPolarHBondContact O-CD1 3.43Å; G15-L19 PolarHBondContact O-N 3.41Å; A16-L19 PolarHBondContact O-N 2.94Å; L17-L19 VanDerWaalsContact C-N 3.26Å; L17-L19 PolarHBondContact O-N 2.9Å
20	T	34.6	Very low	56.1	Low	104 Å²	104	81.2 Å²	81.2	64%	0.638	47%	0.469	S	S	*	.	H	α-helix	trans	-97.3	-11.7	-178.4	50	0	0	0	0	114.6	A16 L17	A16-T20 PolarHBondContact O-N 3.36Å; A16-T20 PolarHBondContact O-OG1 3.38Å; L17-T20 PolarHBondContact O-N 3.28Å; L17-T20 PolarHBondContact O-OG1 2.87Å; L17-T20 VanDerWaalsContact O-OG1 3.09Å
21	E	37	Very low	58.7	Low	169 Å²	169	76.3 Å²	76.3	79%	0.79	44%	0.443	S	S	*	.	S	Bend	trans	-85.6	-4.6	-174.1	-121.1	178	-174.9	0	0	114.7
22	T	42.2	Very low	61.1	Low	103 Å²	103	74.2 Å²	74.2	63%	0.632	43%	0.429	S	S	*	.	S	Bend	trans	-106	8.4	-168.1	46.9	0	0	0	0	116.7
23	W	49.9	Very low	63.7	Low	110 Å²	110	68 Å²	68	42%	0.417	40%	0.397	S	S	.	.			trans	-121.5	23.8	-176.5	-66.7	71.8	0	0	0	113.5	C25 H287 E288 L290	W23-C25 PolarHBondContact O-N 3.46Å; W23-H287 WeakPolarHBondContact CH2-O 3.38Å; W23-E288 HydrophobicContact CD2-CB 4.11Å; W23-E288 HydrophobicContact CE3-CB 3.47Å; W23-E288 VanDerWaalsContact CE3-CB 3.47Å; W23-E288 HydrophobicContact CE3-CG 3.8Å; W23-E288 HydrophobicContact CH2-CB 3.88Å; W23-E288 HydrophobicContact CZ2-CB 4.36Å; W23-E288 VanDerWaalsContact CZ3-CA 3.49Å; W23-E288 HydrophobicContact CZ3-CB 3.45Å; W23-E288 VanDerWaalsContact CZ3-CB 3.45Å; W23-E288 HydrophobicContact CZ3-CG 4.04Å; W23-E288 WeakPolarHBondContact CZ3-O 3.28Å; W23-L290 WeakPolarHBondContact CH2-O 3.45Å; W23-L290 WeakPolarHBondContact CZ3-O 3.29Å
24	A	52.9	Low	66.6	Low	55 Å²	55	65 Å²	65	46%	0.455	38%	0.383	S	S	.	.	S	Bend	trans	-86.7	104.2	168.3	0	0	0	0	0	106.3	S26 P129	A24-S26 PolarHBondContact O-N 3.4Å; A24-P129 HydrophobicContact CB-CB 3.61Å; A24-P129 HydrophobicContact CB-CG 3.14Å
25	C	71.3	Confident	69.2	Low	63 Å²	63	62.1 Å²	62.1	43%	0.426	36%	0.363	S	S	.	.			trans	-52.4	105.2	-172.5	-56.3	0	0	0	0	111	W23 E288	W23-C25 PolarHBondContact O-N 3.46Å; C25-E288 PolarHBondContact SG-OE1 2.85Å
26	S	90.5	Very high	72	Confident	75 Å²	75	62.2 Å²	62.2	52%	0.524	36%	0.356	S	S	.	.			trans	-87.6	144.7	166.7	56.6	0	0	0	0	108.9	A24 L127	A24-S26 PolarHBondContact O-N 3.4Å; S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.36Å
27	H	95.1	Very high	74.8	Confident	30 Å²	30	60.5 Å²	60.5	14%	0.139	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	152.4	177.8	-68.1	-75.6	0	0	0	110.6	D53 D126 L127 L192 L196	H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 2.77Å; H27-D53 IonicContact CG-OD2 3.26Å; H27-D53 IonicContact ND1-OD1 3.52Å; H27-D53 IonicContact ND1-OD2 3.46Å; H27-D53 PolarHBondContact ND1-OD2 2.94Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; H27-L127 PolarHBondContact N-O 2.92Å; H27-L127 PolarHBondContact O-N 2.92Å; H27-L192 HydrophobicContact CB-CD1 4.44Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	97.4	Very high	77.6	Confident	23 Å²	23	58.7 Å²	58.7	16%	0.161	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.8	179.6	66.4	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.29Å; S28-D53 PolarHBondContact N-OD1 3.45Å; S28-D53 PolarHBondContact O-N 2.97Å; S28-C125 CarbonylContact C-O 3.59Å; S28-C125 WeakPolarHBondContact CA-O 3.29Å; S28-D126 WeakPolarHBondContact CB-OD1 3.17Å
29	M	98.6	Very high	80.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.6	166.6	-176.2	172.5	59.9	0	0	107.9	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.39Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.22Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 2.9Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.5Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.37Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-L192 HydrophobicContact SD-CB 4.48Å; M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.62Å
30	R	98.6	Very high	82.7	Confident	49 Å²	49	56.6 Å²	56.6	19%	0.185	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	137.4	-177.3	-56.8	-62.5	-178.7	76.1	6.8	110.7	F32 G50 Y51 Y123 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.46Å; R30-Y51 PolarHBondContact N-O 2.91Å; R30-Y51 PolarHBondContact O-N 3.34Å; R30-Y123 WeakPolarHBondContact CA-O 3.44Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.74Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 VanDerWaalsContact NH2-CG 3.33Å; R30-D126 IonicContact NH2-OD1 2.79Å; R30-D126 PolarHBondContact NH2-OD1 2.99Å; R30-D126 IonicContact NH2-OD2 3.48Å; R30-D126 PolarHBondContact NH2-OD2 3.21Å; R30-D126 VanDerWaalsContact NH2-OD2 3.1Å; R30-Y137 VanDerWaalsContact CZ-CE2 3.46Å; R30-Y137 PolarHBondContact NH2-OH 2.82Å
31	Y	98.8	Very high	85.5	Confident	8 Å²	8	62 Å²	62	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.4	168.4	-69.1	-96	0	0	0	109	M29 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4Å; M29-Y31 HydrophobicContact SD-CE2 3.96Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.4Å; Y31-F57 HydrophobicContact CE1-CZ 4.08Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; Y31-V58 HydrophobicContact CE1-CG2 3.97Å; Y31-M122 WeakPolarHBondContact O-CA 3.49Å; Y31-Y123 HydrophobicContact CD2-CD2 4.19Å; Y31-Y123 AromaticContact CD2-CE2 3.45Å; Y31-Y123 HydrophobicContact CD2-CE2 3.45Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.45Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.25Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.75Å; Y31-Y123 HydrophobicContact CG-CE2 3.75Å; Y31-Y123 AromaticContact CG-CZ 3.61Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 2.85Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å
32	F	98.9	Very high	88	Confident	84 Å²	84	56.8 Å²	56.8	37%	0.368	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.6	177.8	-57.1	-96	0	0	0	108.8	R30 S48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.4Å; R30-F32 HydrophobicContact CB-CE2 3.58Å; R30-F32 HydrophobicContact CB-CZ 3.9Å; F32-S48 WeakPolarHBondContact O-CA 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 3.35Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; F32-W121 WeakPolarHBondContact CA-O 3.4Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.23Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.38Å; F32-M122 HydrophobicContact CZ-CG 4.01Å
33	D	98.8	Very high	90.5	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.016	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.4	177.3	-70.1	-5.1	0	0	0	109.3	F46 I47 S48 Q94 Q120 W121	D33-F46 HydrophobicContact CB-CE2 3.84Å; D33-F46 HydrophobicContact CB-CZ 4.04Å; D33-I47 CarbonylContact C-O 3.52Å; D33-I47 WeakPolarHBondContact CA-O 3.31Å; D33-S48 WeakPolarHBondContact OD1-CB 3.41Å; D33-S48 PolarHBondContact OD1-OG 2.96Å; D33-Q94 WeakPolarHBondContact OD2-CG 3.38Å; D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.5Å; D33-W121 HydrophobicContact CB-CB 4.24Å; D33-W121 HydrophobicContact CB-CE3 4.38Å; D33-W121 PolarHBondContact N-O 2.87Å; D33-W121 PolarHBondContact O-N 3.37Å
34	T	98.9	Very high	92.8	Very high	40 Å²	40	53 Å²	53	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	119	177.4	-60.6	0	0	0	0	109.8	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-F46 WeakPolarHBondContact O-CA 3.38Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 2.94Å; T34-T118 HydrophobicContact CG2-CG2 4.05Å; T34-L119 WeakPolarHBondContact CA-O 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å
35	A	98.7	Very high	94.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.6	174.5	0	0	0	0	0	110.3	R45 F46 D98 L102 T118 L119	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; A35-D98 HydrophobicContact CB-CB 3.62Å; A35-L102 HydrophobicContact CB-CD1 3.89Å; A35-T118 WeakPolarHBondContact O-CA 3.3Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.39Å; A35-L119 PolarHBondContact O-N 3.21Å
36	V	98.6	Very high	96.2	Very high	39 Å²	39	50.7 Å²	50.7	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.4	-178.9	-174.6	0	0	0	0	109.4	T34 P44 R45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; V36-R45 PolarHBondContact N-O 3.29Å; V36-R45 PolarHBondContact O-N 3.46Å; V36-H117 WeakPolarHBondContact CA-O 3.33Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å
37	S	97.8	Very high	96.6	Very high	17 Å²	17	49.3 Å²	49.3	12%	0.119	27%	0.269	C	S	.	.			trans	-68.4	147.4	174.3	74.5	0	0	0	0	110.8	S116 H117	S37-S116 PolarHBondContact O-OG 3.4Å; S37-H117 PolarHBondContact N-O 3.25Å; S37-H117 PolarHBondContact OG-N 2.81Å; S37-H117 PolarHBondContact OG-O 3.3Å
38	R	95.7	Very high	96.8	Very high	76 Å²	76	47.9 Å²	47.9	29%	0.287	26%	0.263	S	S	.	.			trans	-140.1	73.8	-176.6	-60.2	171.7	174.8	-177.6	-9.5	110.8	G40 R41 D63	R38-G40 PolarHBondContact O-N 3.33Å; R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 PolarHBondContact O-N 3.48Å; R38-D63 IonicContact CZ-OD2 3.19Å; R38-D63 IonicContact NH1-OD1 3.12Å; R38-D63 IonicContact NH1-OD2 3.28Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD2 3.16Å
39	P	92.1	Very high	96.9	Very high	50 Å²	50	48.1 Å²	48.1	33%	0.325	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	130.4	-178	-26.7	35.1	0	0	0	112	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.02Å; P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	90.9	Very high	96.9	Very high	90 Å²	90	48.1 Å²	48.1	93%	0.928	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	1.3	-178.2	0	0	0	0	0	116.3	R38	R38-G40 PolarHBondContact O-N 3.33Å
41	R	92.2	Very high	96.9	Very high	218 Å²	218	49.1 Å²	49.1	82%	0.823	27%	0.267	S	S	*	.	S	Bend	trans	-123.7	21.6	-179.1	-58	-175.3	179.6	-171.6	0.4	113.9	R38 P39	R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 PolarHBondContact O-N 3.48Å; P39-R41 PolarHBondContact O-N 3.02Å
42	G	91	Very high	96.8	Very high	59 Å²	59	48.8 Å²	48.8	61%	0.608	27%	0.266	S	S	*	.	S	Bend	trans	101.1	-155.1	178	0	0	0	0	0	113.2
43	E	94.3	Very high	96.7	Very high	105 Å²	105	46.1 Å²	46.1	49%	0.491	26%	0.255	S	S	.	.	S	Bend	trans	-75.3	158.6	-179.1	-64.9	-56.6	163	0	0	112.5	R45 R99	E43-R45 PolarHBondContact O-N 2.91Å; E43-R99 IonicContact OE1-CZ 2.67Å; E43-R99 IonicContact OE1-NE 3.88Å; E43-R99 IonicContact OE1-NH2 2.78Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.01Å; E43-R99 IonicContact OE2-NE 3.49Å; E43-R99 PolarHBondContact OE2-NE 2.99Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 3.38Å
44	P	97.1	Very high	96.6	Very high	27 Å²	27	49 Å²	49	18%	0.175	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-54.8	133.5	170.9	-24.4	34.6	0	0	0	111	V36 R99 L102	V36-P44 CarbonylContact O-C 3.53Å; V36-P44 WeakPolarHBondContact O-CA 3.42Å; V36-P44 WeakPolarHBondContact O-CB 3.33Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.21Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.81Å
45	R	98.3	Very high	96.5	Very high	67 Å²	67	48.5 Å²	48.5	25%	0.253	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	132.7	170.8	179	-176.6	-171.9	178.4	10.3	108.7	A35 V36 E43 I47 D61 S62 D63	A35-R45 CarbonylContact C-O 3.57Å; A35-R45 VanDerWaalsContact CA-O 3.29Å; A35-R45 WeakPolarHBondContact CA-O 3.36Å; V36-R45 PolarHBondContact N-O 3.29Å; V36-R45 PolarHBondContact O-N 3.46Å; E43-R45 PolarHBondContact O-N 2.91Å; R45-I47 HydrophobicContact CG-CG1 4.18Å; R45-D61 IonicContact CZ-OD1 2.81Å; R45-D61 IonicContact CZ-OD2 2.62Å; R45-D61 IonicContact NE-OD1 3.67Å; R45-D61 PolarHBondContact NE-OD1 3.32Å; R45-D61 IonicContact NE-OD2 3.39Å; R45-D61 IonicContact NH2-OD1 3.24Å; R45-D61 PolarHBondContact NH2-OD1 2.68Å; R45-D61 IonicContact NH2-OD2 3.5Å; R45-D61 PolarHBondContact NH2-OD2 3.2Å; R45-S62 WeakPolarHBondContact CA-OG 3.32Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 HydrophobicContact CG-CB 4.46Å; R45-D63 IonicContact NE-OD2 2.59Å
46	F	98.8	Very high	96.4	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	175.3	177	-95.4	0	0	0	109.8	D33 T34 A35 F60 S62 Y91 Q94 A95 D98	D33-F46 HydrophobicContact CB-CE2 3.84Å; D33-F46 HydrophobicContact CB-CZ 4.04Å; T34-F46 WeakPolarHBondContact O-CA 3.38Å; A35-F46 HydrophobicContact CB-CD2 4.26Å; F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.31Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 2.9Å; F46-S62 PolarHBondContact O-OG 3.03Å; F46-Y91 HydrophobicContact CE1-CD1 4.48Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.75Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.72Å; F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.2Å; F46-A95 HydrophobicContact CE1-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.59Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.44Å
47	I	98.8	Very high	96.4	Very high	47 Å²	47	49 Å²	49	24%	0.241	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.2	174.5	-57.3	173	0	0	0	107.1	D33 T34 R45 V49 F60	D33-I47 CarbonylContact C-O 3.52Å; D33-I47 WeakPolarHBondContact CA-O 3.31Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 2.94Å; R45-I47 HydrophobicContact CG-CG1 4.18Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å
48	S	98.8	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.4	171.1	-178.6	0	0	0	0	109.6	F32 D33 R59 F60 Y91	F32-S48 WeakPolarHBondContact O-CA 3.34Å; D33-S48 WeakPolarHBondContact OD1-CB 3.41Å; D33-S48 PolarHBondContact OD1-OG 2.96Å; S48-R59 CarbonylContact O-C 3.59Å; S48-R59 WeakPolarHBondContact O-CA 3.36Å; S48-F60 PolarHBondContact N-O 3.39Å; S48-F60 PolarHBondContact O-N 3.41Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.39Å
49	V	98.9	Very high	96.6	Very high	28 Å²	28	48.4 Å²	48.4	17%	0.17	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.6	173.5	-62.9	0	0	0	0	110	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.4Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.33Å; F32-V49 PolarHBondContact N-O 3.35Å; F32-V49 PolarHBondContact O-N 3.35Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; V49-V58 WeakPolarHBondContact CA-O 3.24Å; V49-R59 HydrophobicContact CG1-CG 4.27Å
50	G	98.7	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139	177.2	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.53Å; R30-G50 WeakPolarHBondContact O-CA 3.46Å; G50-Q56 WeakPolarHBondContact O-CA 3.43Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.03Å; G50-V58 PolarHBondContact N-O 3.08Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.16Å
51	Y	98.6	Very high	97.2	Very high	70 Å²	70	42.8 Å²	42.8	28%	0.275	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	178.4	-75.9	-102.2	0	0	0	110.6	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.55Å; M29-Y51 WeakPolarHBondContact CA-O 3.39Å; R30-Y51 PolarHBondContact N-O 2.91Å; R30-Y51 PolarHBondContact O-N 3.34Å; F32-Y51 HydrophobicContact CD2-CD2 4.17Å; F32-Y51 HydrophobicContact CE2-CD2 4.16Å; V49-Y51 HydrophobicContact CB-CE2 4.14Å; V49-Y51 HydrophobicContact CG2-CD2 4.39Å; V49-Y51 HydrophobicContact CG2-CE2 3.85Å; Y51-T55 WeakPolarHBondContact CA-O 3.3Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å
52	V	98.2	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.6	156.4	176.5	0	0	0	0	106	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.56Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.29Å; M29-V52 HydrophobicContact CG-CG2 4.33Å; V52-D54 PolarHBondContact O-N 3.4Å; V52-T55 PolarHBondContact N-O 3.41Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.02Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å
53	D	95.8	Very high	97.8	Very high	28 Å²	28	35.3 Å²	35.3	15%	0.15	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-124	-166.4	-52.5	-38.8	0	0	0	110.4	H27 S28	H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 2.77Å; H27-D53 IonicContact CG-OD2 3.26Å; H27-D53 IonicContact ND1-OD1 3.52Å; H27-D53 IonicContact ND1-OD2 3.46Å; H27-D53 PolarHBondContact ND1-OD2 2.94Å; S28-D53 PolarHBondContact N-OD1 3.45Å; S28-D53 PolarHBondContact O-N 2.97Å
54	D	95.9	Very high	98	Very high	63 Å²	63	31.8 Å²	31.8	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	8.7	179	-61.2	-57.9	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.4Å; D54-Y233 HydrophobicContact CB-CE2 4.01Å; D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.19Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.93Å; D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.7Å
55	T	96.8	Very high	98	Very high	30 Å²	30	36.1 Å²	36.1	18%	0.184	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113	-177.1	-61.3	0	0	0	0	111.8	Y51 V52 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.3Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 3.41Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 3.02Å; T55-F57 PolarHBondContact O-N 3.48Å; T55-A73 HydrophobicContact CG2-CB 4.39Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; T55-Y233 PolarHBondContact OG1-OH 2.67Å
56	Q	97.8	Very high	97.8	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	128.6	172.7	-166.8	-179.9	4	0	0	110.4	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 3.43Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 VanDerWaalsContact CD1-N 3.31Å; Y51-Q56 HydrophobicContact CD2-CG 4.38Å; Y51-Q56 HydrophobicContact CE1-CB 3.53Å; Y51-Q56 HydrophobicContact CE1-CG 4.26Å; Y51-Q56 HydrophobicContact CE2-CB 4.08Å; Y51-Q56 HydrophobicContact CE2-CG 3.87Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å
57	F	98.2	Very high	97.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-23.2	-179.5	75.7	-83.1	0	0	0	114.3	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.43Å; M29-F57 HydrophobicContact SD-CZ 4.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.08Å; Y31-F57 HydrophobicContact CE2-CZ 4.49Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.48Å; G50-F57 WeakPolarHBondContact O-CD1 3.47Å; G50-F57 PolarHBondContact O-N 3.03Å; V52-F57 HydrophobicContact CG2-CD1 4Å; V52-F57 HydrophobicContact CG2-CE1 4.03Å; T55-F57 PolarHBondContact O-N 3.48Å; F57-R72 PolarHBondContact O-N 2.9Å; F57-A73 HydrophobicContact CB-CB 4.08Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 AromaticContact CD2-CZ3 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 3.99Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.08Å; F57-V76 HydrophobicContact CD2-CB 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.06Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.47Å; F57-Y195 HydrophobicContact CD2-CE2 4.41Å; F57-Y195 HydrophobicContact CE2-CD2 4.27Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å
58	V	98.3	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.4	176.7	-73.6	0	0	0	0	112.4	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG2 3.97Å; V49-V58 WeakPolarHBondContact CA-O 3.24Å; G50-V58 PolarHBondContact N-O 3.08Å; G50-V58 VanDerWaalsContact N-O 3.08Å; G50-V58 PolarHBondContact O-N 3.16Å; Q56-V58 PolarHBondContact NE2-O 2.83Å; V58-E70 WeakPolarHBondContact CA-O 3.41Å; V58-W84 HydrophobicContact CG1-CH2 3.96Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.19Å
59	R	98.4	Very high	97.7	Very high	80 Å²	80	43.7 Å²	43.7	30%	0.302	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146	171.2	178.7	173.5	170.5	143.8	1.7	111.1	S48 V49 D61 E70 R72	S48-R59 CarbonylContact O-C 3.59Å; S48-R59 WeakPolarHBondContact O-CA 3.36Å; V49-R59 HydrophobicContact CG1-CG 4.27Å; R59-D61 IonicContact NH2-OD2 3.41Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.16Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 2.88Å; R59-R72 HydrophobicContact CB-CG 3.89Å
60	F	98.8	Very high	97.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	142.9	164.8	178.9	-86.4	0	0	0	109.8	F46 I47 S48 P67 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.67Å; F46-F60 HydrophobicContact CD1-CD1 3.67Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CD1 3.92Å; F46-F60 HydrophobicContact CE1-CE1 4.31Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å; S48-F60 PolarHBondContact N-O 3.39Å; S48-F60 PolarHBondContact O-N 3.41Å; F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; F60-Y91 HydrophobicContact CB-CD1 4.17Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.69Å; F60-Y91 HydrophobicContact CD2-CD2 3.69Å; F60-Y91 AromaticContact CD2-CG 3.9Å; F60-Y91 HydrophobicContact CD2-CG 3.9Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.1Å
61	D	98.6	Very high	97.6	Very high	19 Å²	19	47.5 Å²	47.5	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	119.8	175.8	-163.8	-26.1	0	0	0	109.5	R45 R59 D63 A64	R45-D61 IonicContact CZ-OD1 2.81Å; R45-D61 IonicContact CZ-OD2 2.62Å; R45-D61 IonicContact NE-OD1 3.67Å; R45-D61 PolarHBondContact NE-OD1 3.32Å; R45-D61 IonicContact NE-OD2 3.39Å; R45-D61 IonicContact NH2-OD1 3.24Å; R45-D61 PolarHBondContact NH2-OD1 2.68Å; R45-D61 IonicContact NH2-OD2 3.5Å; R45-D61 PolarHBondContact NH2-OD2 3.2Å; R59-D61 IonicContact NH2-OD2 3.41Å; R59-D61 PolarHBondContact NH2-OD2 3.17Å; R59-D61 VanDerWaalsContact NH2-OD2 3.16Å; D61-D63 PolarHBondContact O-N 3.24Å; D61-D63 PolarHBondContact OD1-N 3.49Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.93Å
62	S	98.3	Very high	97.5	Very high	35 Å²	35	49.8 Å²	49.8	25%	0.245	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.2	-179.5	66.5	0	0	0	0	113.3	R45 F46 A64 P67	R45-S62 WeakPolarHBondContact CA-OG 3.32Å; F46-S62 PolarHBondContact N-OG 3.18Å; F46-S62 PolarHBondContact O-N 2.9Å; F46-S62 PolarHBondContact O-OG 3.03Å; S62-A64 VanDerWaalsContact C-N 3.32Å; S62-P67 WeakPolarHBondContact O-CG 3.1Å
63	D	97.3	Very high	97.4	Very high	85 Å²	85	50 Å²	50	46%	0.455	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.9	-179.7	-74	7.2	0	0	0	112.3	R38 R45 D61	R38-D63 IonicContact CZ-OD2 3.19Å; R38-D63 IonicContact NH1-OD1 3.12Å; R38-D63 IonicContact NH1-OD2 3.28Å; R38-D63 PolarHBondContact NH1-OD2 3.38Å; R38-D63 IonicContact NH2-OD2 3.16Å; R45-D63 VanDerWaalsContact CD-OD2 3.23Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 HydrophobicContact CG-CB 4.46Å; R45-D63 IonicContact NE-OD2 2.59Å; D61-D63 PolarHBondContact O-N 3.24Å; D61-D63 PolarHBondContact OD1-N 3.49Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å
64	A	97.1	Very high	97.4	Very high	31 Å²	31	53.6 Å²	53.6	26%	0.256	30%	0.3	S	S	.	.	S	Bend	trans	-62.9	149.6	174.8	0	0	0	0	0	110.9	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.42Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.93Å; S62-A64 VanDerWaalsContact C-N 3.32Å; A64-S66 PolarHBondContact O-N 2.85Å; A64-S66 VanDerWaalsContact O-N 3.14Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å
65	A	96.8	Very high	97.4	Very high	118 Å²	118	51.2 Å²	51.2	98%	0.975	29%	0.286	S	S	*	.	S	Bend	trans	-58.8	-30.7	179.9	0	0	0	0	0	113.2
66	S	96	Very high	97.5	Very high	80 Å²	80	49.8 Å²	49.8	56%	0.559	28%	0.277	S	S	*	.	S	Bend	trans	-135.8	85.7	173	173	0	0	0	0	109.3	A64 R68	A64-S66 PolarHBondContact O-N 2.85Å; A64-S66 VanDerWaalsContact O-N 3.14Å; S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	96.9	Very high	97.4	Very high	37 Å²	37	53.2 Å²	53.2	24%	0.24	29%	0.293	C	S	.	.			trans	-62	113	-174.5	-24	35.3	0	0	0	112.3	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.87Å; F60-P67 HydrophobicContact CZ-CB 3.69Å; S62-P67 WeakPolarHBondContact O-CG 3.1Å; A64-P67 WeakPolarHBondContact O-CD 3.4Å; A64-P67 VanDerWaalsContact O-CG 3.28Å; A64-P67 WeakPolarHBondContact O-CG 3.48Å; P67-K92 VanDerWaalsContact O-CE 3.23Å; P67-K92 WeakPolarHBondContact O-CE 2.94Å; P67-K92 PolarHBondContact O-NZ 2.82Å
68	R	97.8	Very high	97.2	Very high	153 Å²	153	58.9 Å²	58.9	58%	0.577	32%	0.32	S	S	*	.			trans	-147.8	160.4	176.9	64	-177.6	175	175.4	0.8	110.4	S66 E70 T88	S66-R68 PolarHBondContact O-N 2.8Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.38Å; R68-E70 PolarHBondContact O-N 2.95Å; R68-T88 HydrophobicContact CB-CG2 4.17Å
69	G	97.6	Very high	97.2	Very high	6 Å²	6	59.5 Å²	59.5	6%	0.062	32%	0.322	C	S	.	.			trans	-64.1	130.4	168.1	0	0	0	0	0	109.6	T88	G69-T88 PolarHBondContact N-OG1 3.33Å
70	E	97.8	Very high	97	Very high	58 Å²	58	57.3 Å²	57.3	27%	0.271	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.1	-178.9	-64.9	177.9	165.7	0	0	110	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.41Å; R59-E70 PolarHBondContact N-O 2.93Å; R59-E70 PolarHBondContact O-N 2.88Å; R68-E70 HydrophobicContact CG-CG 4.38Å; R68-E70 PolarHBondContact O-N 2.95Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 3.04Å
71	P	98	Very high	97	Very high	49 Å²	49	61.7 Å²	61.7	32%	0.318	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	144.4	172.5	28.9	-34.3	0	0	0	110.7	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.71Å; P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.28Å
72	R	97.6	Very high	96.9	Very high	119 Å²	119	68.5 Å²	68.5	45%	0.449	39%	0.385	S	S	.	.			trans	-126.7	-2	175.2	-60.8	-64.5	171.7	177.6	-2.3	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.47Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.57Å; F57-R72 PolarHBondContact O-N 2.9Å; R59-R72 HydrophobicContact CB-CG 3.89Å; E70-R72 IonicContact OE2-CZ 2.81Å; E70-R72 IonicContact OE2-NH2 3.86Å; E70-R72 PolarHBondContact OE2-NH2 3.04Å
73	A	96.1	Very high	96.9	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.033	38%	0.375	C	S	.	.	S	Bend	trans	-136.6	144	172.9	0	0	0	0	0	110.9	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.39Å; F57-A73 HydrophobicContact CB-CB 4.08Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.8Å; A73-V76 WeakPolarHBondContact O-CG1 3.33Å; A73-V76 PolarHBondContact O-N 3.34Å
74	P	96.1	Very high	96.9	Very high	103 Å²	103	65 Å²	65	67%	0.669	36%	0.36	S	S	*	.	H	α-helix	trans	-58.3	-37	-177.1	-26.4	34.7	0	0	0	114.1	V76 E77	P74-V76 PolarHBondContact O-N 2.97Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 2.97Å; P74-E77 VanDerWaalsContact O-N 3.12Å
75	W	96.1	Very high	97	Very high	14 Å²	14	68.7 Å²	68.7	5%	0.053	38%	0.375	C	S	.	.	H	α-helix	trans	-70.5	-13.9	-176	53.3	-106.4	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.38Å; V52-W75 HydrophobicContact CB-CZ2 4.44Å; V52-W75 HydrophobicContact CG2-CH2 3.87Å; V52-W75 HydrophobicContact CG2-CZ2 4.42Å; F57-W75 HydrophobicContact CB-CH2 3.1Å; F57-W75 HydrophobicContact CB-CZ2 3.34Å; F57-W75 HydrophobicContact CB-CZ3 3.9Å; F57-W75 AromaticContact CD1-CH2 4Å; F57-W75 HydrophobicContact CD1-CH2 4Å; F57-W75 AromaticContact CD2-CH2 3.76Å; F57-W75 HydrophobicContact CD2-CH2 3.76Å; F57-W75 AromaticContact CD2-CZ3 3.99Å; F57-W75 HydrophobicContact CD2-CZ3 3.99Å; F57-W75 AromaticContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CH2 3.37Å; F57-W75 HydrophobicContact CG-CZ2 4.08Å; F57-W75 HydrophobicContact CG-CZ3 4.08Å; A73-W75 VanDerWaalsContact C-N 3.29Å; A73-W75 HydrophobicContact CB-CD2 4.15Å; A73-W75 HydrophobicContact CB-CG 4.36Å; A73-W75 HydrophobicContact CB-CZ2 3.97Å; A73-W75 PolarHBondContact O-N 2.8Å; W75-Q78 WeakPolarHBondContact O-CG 3.39Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; W75-N198 HydrophobicContact CB-CB 4.4Å; W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.4Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å
76	V	97.3	Very high	97	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-93.3	-16.9	172.6	79.8	0	0	0	0	111.9	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CD2-CB 4.37Å; F57-V76 HydrophobicContact CD2-CG2 4.06Å; F57-V76 VanDerWaalsContact O-CG1 3.29Å; F57-V76 WeakPolarHBondContact O-CG1 3.47Å; P71-V76 HydrophobicContact CB-CG1 3.71Å; A73-V76 WeakPolarHBondContact O-CG1 3.33Å; A73-V76 PolarHBondContact O-N 3.34Å; P74-V76 PolarHBondContact O-N 2.97Å; V76-Q78 PolarHBondContact O-N 3.01Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.05Å; V76-E79 PolarHBondContact O-N 3.24Å; V76-Y83 HydrophobicContact CG2-CE1 4.16Å; V76-W84 HydrophobicContact CG1-CH2 3.87Å; V76-W84 HydrophobicContact CG1-CZ2 4.1Å; V76-W84 HydrophobicContact CG2-CH2 4.11Å; V76-W84 HydrophobicContact CG2-CZ2 4.16Å; V76-W84 WeakPolarHBondContact O-CZ2 3.46Å; V76-Y195 HydrophobicContact CG2-CE1 4.27Å
77	E	95.8	Very high	97.1	Very high	123 Å²	123	64.6 Å²	64.6	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-63	-25.5	-179.8	-64.8	-176.8	-179.1	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.7Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.32Å; P74-E77 PolarHBondContact O-N 2.97Å; P74-E77 VanDerWaalsContact O-N 3.12Å; E77-E79 PolarHBondContact O-N 2.87Å
78	Q	95.1	Very high	97.2	Very high	120 Å²	120	63.4 Å²	63.4	56%	0.561	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.8	175.7	68.4	-178.2	12.4	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.39Å; V76-Q78 PolarHBondContact O-N 3.01Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.43Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å
79	E	96.9	Very high	97.2	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.056	31%	0.311	C	S	.	.	S	Bend	trans	-65.7	136.6	174.9	-65.1	-62.2	163.6	0	0	110.8	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 WeakPolarHBondContact O-CB 3.18Å; V76-E79 WeakPolarHBondContact O-CG 3.05Å; V76-E79 PolarHBondContact O-N 3.24Å; E77-E79 PolarHBondContact O-N 2.87Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; E79-W84 PolarHBondContact O-NE1 2.89Å; E79-R194 IonicContact OE1-CZ 3.84Å; E79-R194 IonicContact OE1-NE 3.58Å; E79-R194 PolarHBondContact OE1-NE 3.09Å; E79-R194 IonicContact OE1-NH2 3.1Å; E79-R194 PolarHBondContact OE1-NH2 3.5Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 PolarHBondContact OE2-NE 3.34Å; E79-R194 IonicContact OE2-NH2 3.04Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E79-N198 PolarHBondContact OE1-ND2 2.66Å
80	G	96.1	Very high	97.2	Very high	34 Å²	34	64.3 Å²	64.3	35%	0.351	32%	0.323	S	S	.	.			trans	-69.8	169.3	-174.1	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.62Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 2.81Å; G80-W84 PolarHBondContact O-N 2.92Å
81	P	97.1	Very high	97.2	Very high	95 Å²	95	61.9 Å²	61.9	62%	0.617	31%	0.311	S	S	*	.	H	α-helix	trans	-57.6	-34.3	-178.9	23.2	-33.7	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.39Å; P81-W84 PolarHBondContact O-N 2.94Å; P81-D85 WeakPolarHBondContact O-CB 3.5Å; P81-D85 PolarHBondContact O-N 3.33Å
82	E	97.6	Very high	97.3	Very high	163 Å²	163	63.7 Å²	63.7	76%	0.762	31%	0.314	S	S	*	.	H	α-helix	trans	-61.2	-35.2	177.9	-64.3	163.6	179.7	0	0	112.8	G80 R86	G80-E82 PolarHBondContact O-N 2.62Å; E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.24Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 VanDerWaalsContact O-N 3.08Å
83	Y	97.7	Very high	97.3	Very high	8 Å²	8	66 Å²	66	3%	0.031	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-53.1	173.4	170.1	-92.2	0	0	0	109.9	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.16Å; E79-Y83 HydrophobicContact CB-CD1 3.55Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.18Å; E79-Y83 HydrophobicContact CB-CG 3.73Å; E79-Y83 HydrophobicContact CG-CD1 4.1Å; E79-Y83 HydrophobicContact CG-CD2 4.45Å; E79-Y83 HydrophobicContact CG-CE1 4.32Å; E79-Y83 HydrophobicContact CG-CG 4.18Å; G80-Y83 WeakPolarHBondContact O-CB 3.17Å; G80-Y83 PolarHBondContact O-N 2.81Å; P81-Y83 VanDerWaalsContact C-N 3.28Å; P81-Y83 PolarHBondContact O-N 3.39Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.94Å; Y83-R86 PolarHBondContact O-N 3.08Å; Y83-E87 HydrophobicContact CD1-CG 4.31Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 3.29Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 AromaticContact CE2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CZ3 3.7Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.4Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.26Å; Y83-Y195 PolarHBondContact OH-OH 3.07Å
84	W	98.1	Very high	97.4	Very high	39 Å²	39	67.9 Å²	67.9	15%	0.148	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-38.4	-177.2	-67.2	111.9	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG1-CH2 3.96Å; V58-W84 HydrophobicContact CG1-CZ3 3.89Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.28Å; V76-W84 HydrophobicContact CG1-CH2 3.87Å; V76-W84 HydrophobicContact CG1-CZ2 4.1Å; V76-W84 HydrophobicContact CG2-CH2 4.11Å; V76-W84 HydrophobicContact CG2-CZ2 4.16Å; V76-W84 WeakPolarHBondContact O-CZ2 3.46Å; E79-W84 PolarHBondContact O-NE1 2.89Å; G80-W84 PolarHBondContact O-N 2.92Å; P81-W84 PolarHBondContact O-N 2.94Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.09Å; W84-T88 PolarHBondContact O-OG1 2.84Å
85	D	98.1	Very high	97.5	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	31%	0.307	S	S	*	.	H	α-helix	trans	-64.4	-47.1	174.4	-76	-21.6	0	0	0	110.6	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.5Å; P81-D85 PolarHBondContact O-N 3.33Å; Y83-D85 VanDerWaalsContact C-N 3.34Å; Y83-D85 PolarHBondContact O-N 2.94Å; D85-T88 PolarHBondContact O-N 3.15Å; D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.25Å; D85-Q89 PolarHBondContact O-N 3.15Å
86	R	97.6	Very high	97.6	Very high	102 Å²	102	68.3 Å²	68.3	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-47.4	178.7	-175.4	-177.4	66.2	-145.3	-5.2	112	E82 Y83 Q89 K90	E82-R86 VanDerWaalsContact O-CB 3.23Å; E82-R86 WeakPolarHBondContact O-CB 3.24Å; E82-R86 PolarHBondContact O-N 3.19Å; E82-R86 VanDerWaalsContact O-N 3.08Å; Y83-R86 PolarHBondContact O-N 3.08Å; R86-Q89 PolarHBondContact O-N 2.98Å; R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 3.02Å
87	E	97.8	Very high	97.6	Very high	9 Å²	9	70.1 Å²	70.1	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-65.5	-42.1	178.9	-63.1	-42.1	119	0	0	111	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.31Å; Y83-E87 HydrophobicContact CD2-CG 4.15Å; Y83-E87 HydrophobicContact CE1-CG 3.91Å; Y83-E87 HydrophobicContact CE2-CG 3.72Å; Y83-E87 HydrophobicContact CG-CG 4.41Å; Y83-E87 WeakPolarHBondContact O-CG 3.33Å; Y83-E87 PolarHBondContact O-N 3.29Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.89Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.81Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 IonicContact OE1-NZ 3.91Å; E87-K90 PolarHBondContact OE1-NZ 3.06Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 2.88Å; E87-K90 PolarHBondContact OE2-NZ 3.42Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.34Å; E87-Y91 PolarHBondContact O-N 3Å
88	T	98.4	Very high	97.7	Very high	13 Å²	13	64.5 Å²	64.5	8%	0.08	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-43	173.6	-64.2	0	0	0	0	112.3	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.17Å; G69-T88 PolarHBondContact N-OG1 3.33Å; W84-T88 WeakPolarHBondContact O-CB 3.43Å; W84-T88 PolarHBondContact O-N 3.09Å; W84-T88 PolarHBondContact O-OG1 2.84Å; D85-T88 PolarHBondContact O-N 3.15Å; T88-Y91 PolarHBondContact O-N 2.82Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.1Å; T88-K92 PolarHBondContact O-N 2.82Å
89	Q	98.4	Very high	97.9	Very high	105 Å²	105	61.9 Å²	61.9	49%	0.491	30%	0.302	S	S	.	.	H	α-helix	trans	-69.3	-33.3	177	-68	-58.6	-28.7	0	0	112.7	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.29Å; D85-Q89 WeakPolarHBondContact O-CG 3.25Å; D85-Q89 PolarHBondContact O-N 3.15Å; R86-Q89 PolarHBondContact O-N 2.98Å; E87-Q89 VanDerWaalsContact C-N 3.3Å; E87-Q89 PolarHBondContact O-N 2.89Å; Q89-R93 WeakPolarHBondContact O-CB 3.41Å; Q89-R93 WeakPolarHBondContact O-CG 3.44Å; Q89-R93 PolarHBondContact O-N 2.87Å; Q89-R93 PolarHBondContact O-NE 2.88Å
90	K	97.8	Very high	97.9	Very high	72 Å²	72	64.1 Å²	64.1	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-51	171.9	-73.3	172.1	178.6	172.4	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 3.02Å; E87-K90 WeakPolarHBondContact O-CB 3.44Å; E87-K90 PolarHBondContact O-N 2.81Å; E87-K90 VanDerWaalsContact O-N 3.09Å; E87-K90 IonicContact OE1-NZ 3.91Å; E87-K90 PolarHBondContact OE1-NZ 3.06Å; E87-K90 WeakPolarHBondContact OE2-CD 3.47Å; E87-K90 IonicContact OE2-NZ 2.88Å; E87-K90 PolarHBondContact OE2-NZ 3.42Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.91Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-R93 VanDerWaalsContact O-N 3.12Å; K90-Q94 PolarHBondContact O-N 3.3Å
91	Y	98.4	Very high	98	Very high	7 Å²	7	65.1 Å²	65.1	3%	0.027	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-42.8	177.8	-61.5	-49.5	0	0	0	112.4	F46 S48 V58 F60 E87 T88 R93 Q94 A95	F46-Y91 HydrophobicContact CE1-CD1 4.48Å; S48-Y91 WeakPolarHBondContact OG-CE1 3.39Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.19Å; F60-Y91 HydrophobicContact CB-CD1 4.17Å; F60-Y91 HydrophobicContact CB-CD2 3.59Å; F60-Y91 HydrophobicContact CB-CE2 4.04Å; F60-Y91 HydrophobicContact CB-CG 3.68Å; F60-Y91 HydrophobicContact CD1-CG 4.37Å; F60-Y91 AromaticContact CD2-CD2 3.69Å; F60-Y91 HydrophobicContact CD2-CD2 3.69Å; F60-Y91 AromaticContact CD2-CG 3.9Å; F60-Y91 HydrophobicContact CD2-CG 3.9Å; F60-Y91 AromaticContact CG-CD2 3.82Å; F60-Y91 HydrophobicContact CG-CD2 3.82Å; F60-Y91 AromaticContact CG-CG 3.73Å; F60-Y91 HydrophobicContact CG-CG 3.73Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.34Å; E87-Y91 PolarHBondContact O-N 3Å; T88-Y91 PolarHBondContact O-N 2.82Å; Y91-R93 PolarHBondContact O-N 2.86Å; Y91-Q94 PolarHBondContact O-N 2.87Å; Y91-A95 WeakPolarHBondContact O-CB 3.26Å; Y91-A95 PolarHBondContact O-N 3.18Å
92	K	98.4	Very high	98	Very high	87 Å²	87	60.9 Å²	60.9	38%	0.378	29%	0.286	S	S	.	.	H	α-helix	trans	-63.8	-39.4	176.8	-74.6	177.9	178.9	176.4	0	112.8	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.32Å; F60-K92 HydrophobicContact CZ-CG 4.1Å; P67-K92 VanDerWaalsContact O-CE 3.23Å; P67-K92 WeakPolarHBondContact O-CE 2.94Å; P67-K92 PolarHBondContact O-NZ 2.82Å; T88-K92 HydrophobicContact CG2-CD 4.17Å; T88-K92 WeakPolarHBondContact O-CG 3.1Å; T88-K92 PolarHBondContact O-N 2.82Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.91Å; K92-Q96 WeakPolarHBondContact O-CG 3.21Å; K92-Q96 PolarHBondContact O-N 3.3Å
93	R	98.4	Very high	98	Very high	168 Å²	168	59 Å²	59	63%	0.634	27%	0.271	S	S	*	.	H	α-helix	trans	-66.5	-43.2	175	-76.4	-174.4	-67.2	171.8	0.9	111.3	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.41Å; Q89-R93 WeakPolarHBondContact O-CG 3.44Å; Q89-R93 PolarHBondContact O-N 2.87Å; Q89-R93 PolarHBondContact O-NE 2.88Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-R93 VanDerWaalsContact O-N 3.12Å; Y91-R93 PolarHBondContact O-N 2.86Å; R93-Q96 PolarHBondContact O-N 2.67Å; R93-A97 PolarHBondContact O-N 2.84Å
94	Q	98.4	Very high	97.9	Very high	44 Å²	44	63.4 Å²	63.4	21%	0.206	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-44.7	177.6	-170	59	36	0	0	111.7	D33 F46 K90 Y91 Q96 A97 D98 W121	D33-Q94 WeakPolarHBondContact OD2-CG 3.38Å; F46-Q94 HydrophobicContact CE2-CB 4.28Å; F46-Q94 HydrophobicContact CE2-CG 3.75Å; F46-Q94 HydrophobicContact CZ-CB 3.91Å; F46-Q94 HydrophobicContact CZ-CG 3.72Å; K90-Q94 PolarHBondContact O-N 3.3Å; Y91-Q94 PolarHBondContact O-N 2.87Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.86Å; Q94-A97 CarbonylContact O-C 3.53Å; Q94-A97 WeakPolarHBondContact O-CA 3.38Å; Q94-A97 WeakPolarHBondContact O-CB 3.32Å; Q94-A97 PolarHBondContact O-N 3.16Å; Q94-D98 PolarHBondContact NE2-OD1 2.75Å; Q94-D98 PolarHBondContact O-N 3.26Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.45Å; Q94-W121 HydrophobicContact CG-CE3 4.32Å; Q94-W121 HydrophobicContact CG-CZ3 4.12Å
95	A	98.4	Very high	97.9	Very high	19 Å²	19	61.9 Å²	61.9	16%	0.157	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-39.4	175	0	0	0	0	0	112.8	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.66Å; F46-A95 HydrophobicContact CD1-CB 3.73Å; F46-A95 HydrophobicContact CD2-CB 4.2Å; F46-A95 HydrophobicContact CE1-CB 4.42Å; F46-A95 HydrophobicContact CG-CB 3.59Å; Y91-A95 WeakPolarHBondContact O-CB 3.26Å; Y91-A95 PolarHBondContact O-N 3.18Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 PolarHBondContact O-N 2.79Å
96	Q	98.1	Very high	97.9	Very high	106 Å²	106	59.6 Å²	59.6	50%	0.495	27%	0.269	S	S	.	.	H	α-helix	trans	-71.2	-38.2	174.6	-66.7	-58.8	-35.5	0	0	112.4	K92 R93 Q94 V100	K92-Q96 WeakPolarHBondContact O-CG 3.21Å; K92-Q96 PolarHBondContact O-N 3.3Å; R93-Q96 PolarHBondContact O-N 2.67Å; Q94-Q96 VanDerWaalsContact C-N 3.26Å; Q94-Q96 PolarHBondContact O-N 2.86Å; Q96-V100 WeakPolarHBondContact O-CG2 3.04Å; Q96-V100 PolarHBondContact O-N 3.05Å
97	A	98	Very high	97.8	Very high	38 Å²	38	56.9 Å²	56.9	31%	0.314	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-47.4	175.1	0	0	0	0	0	110.9	R93 Q94 R99 V100 N101	R93-A97 PolarHBondContact O-N 2.84Å; Q94-A97 CarbonylContact O-C 3.53Å; Q94-A97 WeakPolarHBondContact O-CA 3.38Å; Q94-A97 WeakPolarHBondContact O-CB 3.32Å; Q94-A97 PolarHBondContact O-N 3.16Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 2.84Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.48Å; A97-V100 WeakPolarHBondContact O-CB 3.44Å; A97-V100 PolarHBondContact O-N 3.45Å; A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.88Å; A97-N101 PolarHBondContact O-ND2 2.79Å
98	D	98.1	Very high	97.8	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-35.6	-179.8	-73.2	-12.7	0	0	0	112.7	A35 F46 Q94 V100 N101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.62Å; F46-D98 VanDerWaalsContact CE2-OD2 3.25Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.44Å; Q94-D98 PolarHBondContact NE2-OD1 2.75Å; Q94-D98 PolarHBondContact O-N 3.26Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.44Å; D98-N101 PolarHBondContact O-N 2.03Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.93Å; D98-L119 HydrophobicContact CB-CD2 4.18Å
99	R	97.6	Very high	97.8	Very high	66 Å²	66	61.8 Å²	61.8	25%	0.249	29%	0.29	C	S	.	.	H	α-helix	trans	-56.3	-42	169.5	176.7	-171.6	-178.6	-157.6	0.8	112	E43 P44 A95 A97	E43-R99 IonicContact OE1-CZ 2.67Å; E43-R99 IonicContact OE1-NE 3.88Å; E43-R99 IonicContact OE1-NH2 2.78Å; E43-R99 PolarHBondContact OE1-NH2 2.85Å; E43-R99 WeakPolarHBondContact OE2-CD 3.36Å; E43-R99 IonicContact OE2-CZ 3.01Å; E43-R99 IonicContact OE2-NE 3.49Å; E43-R99 PolarHBondContact OE2-NE 2.99Å; E43-R99 IonicContact OE2-NH2 3.19Å; E43-R99 PolarHBondContact OE2-NH2 3.38Å; P44-R99 HydrophobicContact CG-CB 4.37Å; P44-R99 HydrophobicContact CG-CG 4.21Å; A95-R99 WeakPolarHBondContact O-CB 3.31Å; A95-R99 PolarHBondContact O-N 2.79Å; A97-R99 VanDerWaalsContact C-N 3.34Å; A97-R99 PolarHBondContact O-N 2.84Å
100	V	97.7	Very high	97.7	Very high	59 Å²	59	64 Å²	64	36%	0.358	31%	0.305	S	S	.	.	H	α-helix	trans	-72.6	-41.1	176.5	173.5	0	0	0	0	110.8	Q96 A97 D98 R103 K104	Q96-V100 WeakPolarHBondContact O-CG2 3.04Å; Q96-V100 PolarHBondContact O-N 3.05Å; A97-V100 CarbonylContact O-C 3.59Å; A97-V100 WeakPolarHBondContact O-CA 3.48Å; A97-V100 WeakPolarHBondContact O-CB 3.44Å; A97-V100 PolarHBondContact O-N 3.45Å; D98-V100 VanDerWaalsContact C-N 3.26Å; D98-V100 PolarHBondContact O-N 3.44Å; V100-R103 PolarHBondContact O-N 2.93Å; V100-K104 HydrophobicContact CG1-CD 4.26Å; V100-K104 PolarHBondContact O-N 3.36Å; V100-K104 VanDerWaalsContact O-N 3.08Å
101	N	98	Very high	97.7	Very high	54 Å²	54	63.3 Å²	63.3	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-64.3	-42.1	-179.8	-67.6	-24.7	0	0	0	111.7	A97 D98 R103 K104 L105 L119	A97-N101 VanDerWaalsContact O-CG 3.24Å; A97-N101 PolarHBondContact O-N 2.88Å; A97-N101 PolarHBondContact O-ND2 2.79Å; D98-N101 PolarHBondContact O-N 2.03Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.99Å; N101-K104 WeakPolarHBondContact O-CB 3.28Å; N101-K104 PolarHBondContact O-N 2.85Å; N101-L105 WeakPolarHBondContact O-CB 3.42Å; N101-L105 VanDerWaalsContact O-CG 3.29Å; N101-L105 WeakPolarHBondContact O-CG 3.45Å; N101-L105 PolarHBondContact O-N 2.83Å; N101-L119 HydrophobicContact CB-CD2 3.75Å
102	L	98.1	Very high	97.4	Very high	7 Å²	7	66.6 Å²	66.6	4%	0.037	33%	0.327	C	S	.	.	H	α-helix	trans	-55.5	-41.1	174.2	-77.5	167.3	0	0	0	112.1	A35 P44 D98 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.89Å; P44-L102 HydrophobicContact CB-CD1 3.65Å; P44-L102 HydrophobicContact CG-CD1 3.81Å; D98-L102 WeakPolarHBondContact O-CB 3.38Å; D98-L102 VanDerWaalsContact O-CG 3.29Å; D98-L102 WeakPolarHBondContact O-CG 3.35Å; D98-L102 PolarHBondContact O-N 2.93Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.5Å; L102-R106 VanDerWaalsContact O-N 3.07Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.17Å; L102-Y142 HydrophobicContact CD2-CE2 4.05Å
103	R	96.2	Very high	97.1	Very high	122 Å²	122	68.6 Å²	68.6	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-69.1	-39.6	175.8	-63.3	-175.8	-142.1	147	0.2	112.5	V100 N101 G107	V100-R103 PolarHBondContact O-N 2.93Å; N101-R103 VanDerWaalsContact C-N 3.28Å; N101-R103 PolarHBondContact O-N 2.99Å; R103-G107 PolarHBondContact O-N 3.42Å
104	K	97.1	Very high	96.7	Very high	101 Å²	101	67.5 Å²	67.5	44%	0.439	35%	0.345	S	S	.	.	H	α-helix	trans	-64.8	-48	177.3	-72.9	174.8	179.8	167.6	0	111.3	V100 N101 G107 Y108	V100-K104 HydrophobicContact CG1-CD 4.26Å; V100-K104 PolarHBondContact O-N 3.36Å; V100-K104 VanDerWaalsContact O-N 3.08Å; N101-K104 WeakPolarHBondContact O-CB 3.28Å; N101-K104 PolarHBondContact O-N 2.85Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.49Å; K104-G107 PolarHBondContact O-N 2.81Å; K104-G107 VanDerWaalsContact O-N 3.08Å; K104-Y108 PolarHBondContact O-N 3.24Å
105	L	97.9	Very high	96.4	Very high	8 Å²	8	66.3 Å²	66.3	4%	0.042	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-47.8	179.5	-70.1	168.2	0	0	0	110.5	N101 G107 Y108 Y109 L119 Y142 Y147	N101-L105 WeakPolarHBondContact O-CB 3.42Å; N101-L105 VanDerWaalsContact O-CG 3.29Å; N101-L105 WeakPolarHBondContact O-CG 3.45Å; N101-L105 PolarHBondContact O-N 2.83Å; L105-G107 PolarHBondContact O-N 3.18Å; L105-Y108 HydrophobicContact CD2-CD2 4.43Å; L105-Y108 PolarHBondContact O-N 2.99Å; L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 2.95Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.24Å; L105-L119 HydrophobicContact CD1-CG 4.5Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.45Å; L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.25Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.6Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.17Å
106	R	96.6	Very high	96.4	Very high	60 Å²	60	69 Å²	69	23%	0.226	36%	0.362	C	S	.	.	H	α-helix	trans	-51.6	-42.2	173.1	-170.1	-173.5	67.4	-177.7	8.6	112.4	L102 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.5Å; L102-R106 VanDerWaalsContact O-N 3.07Å; R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 3.38Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.8Å; R106-E113 IonicContact NH2-OE1 3.76Å; R106-E113 PolarHBondContact NH2-OE1 2.62Å
107	G	96.6	Very high	96.4	Very high	45 Å²	45	64.7 Å²	64.7	46%	0.464	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-43.6	175.2	0	0	0	0	0	113.6	R103 K104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.42Å; K104-G107 CarbonylContact O-C 3.6Å; K104-G107 WeakPolarHBondContact O-CA 3.49Å; K104-G107 PolarHBondContact O-N 2.81Å; K104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 PolarHBondContact O-N 3.18Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.32Å; G107-N110 PolarHBondContact O-N 2.88Å; G107-N110 PolarHBondContact O-OD1 3.44Å
108	Y	97.8	Very high	96.4	Very high	58 Å²	58	64.8 Å²	64.8	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-35.4	178	-66.1	-11.5	0	0	0	112.7	K104 L105 I166 K170	K104-Y108 PolarHBondContact O-N 3.24Å; L105-Y108 HydrophobicContact CD2-CD2 4.43Å; L105-Y108 PolarHBondContact O-N 2.99Å; Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; Y108-K170 PolarHBondContact OH-NZ 2.95Å
109	Y	97.8	Very high	96.4	Very high	66 Å²	66	64.9 Å²	64.9	26%	0.259	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	3.7	178.7	-67.2	-72	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.27Å; L105-Y109 WeakPolarHBondContact O-CD2 3.49Å; L105-Y109 PolarHBondContact O-N 2.95Å; G107-Y109 VanDerWaalsContact C-N 3.28Å; G107-Y109 PolarHBondContact O-N 3.32Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.41Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Y109-Y147 HydrophobicContact CE2-CE2 4.25Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.24Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 PolarHBondContact OH-OD2 2.62Å; Y109-A163 HydrophobicContact CD1-CB 4.08Å; Y109-A163 HydrophobicContact CE1-CB 3.51Å; Y109-A163 HydrophobicContact CE2-CB 4.01Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å
110	N	96.6	Very high	96.5	Very high	151 Å²	151	65.5 Å²	65.5	81%	0.807	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	40.2	-177.6	-56.4	-58	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 2.93Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.88Å; G107-N110 PolarHBondContact O-OD1 3.44Å
111	Q	96.8	Very high	96.5	Very high	59 Å²	59	64.1 Å²	64.1	28%	0.276	33%	0.333	S	S	.	.			trans	-87.7	151.8	-177	-70.3	165	-34.8	0	0	112	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.75Å; R106-Q111 WeakPolarHBondContact CG-O 3.39Å; R106-Q111 PolarHBondContact O-N 3.38Å; Y109-Q111 PolarHBondContact O-N 2.92Å; Q111-H117 PolarHBondContact NE2-CE1 2.99Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; Q111-Y142 PolarHBondContact OE1-OH 2.71Å; Q111-D143 PolarHBondContact NE2-OD2 2.83Å
112	S	93.9	Very high	96.6	Very high	76 Å²	76	62.4 Å²	62.4	53%	0.531	32%	0.324	S	S	.	.			trans	-68.7	154	179.9	58.2	0	0	0	0	113	D114 G115	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.14Å; S112-G115 PolarHBondContact O-N 3.37Å
113	E	90.2	Very high	96.6	Very high	129 Å²	129	63.3 Å²	63.3	60%	0.603	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-24.6	179.3	-58.1	-150.9	124.5	0	0	114.4	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.39Å; P39-E113 WeakPolarHBondContact CG-O 3.48Å; R106-E113 IonicContact CZ-OE1 2.76Å; R106-E113 IonicContact NH1-OE1 3.8Å; R106-E113 IonicContact NH2-OE1 3.76Å; R106-E113 PolarHBondContact NH2-OE1 2.62Å; E113-G115 PolarHBondContact O-N 3.42Å
114	D	90.5	Very high	96.7	Very high	144 Å²	144	57.5 Å²	57.5	77%	0.77	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-8.2	-177.6	-57.6	-40.7	0	0	0	113.2	S112	S112-D114 VanDerWaalsContact C-N 3.29Å; S112-D114 PolarHBondContact O-N 3.14Å
115	G	92.7	Very high	96.8	Very high	20 Å²	20	52.7 Å²	52.7	21%	0.206	28%	0.284	C	S	.	.			trans	-76.5	130.5	179.4	0	0	0	0	0	112.8	P39 S112 E113 H117	P39-G115 VanDerWaalsContact CG-O 3.23Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 3.37Å; E113-G115 PolarHBondContact O-N 3.42Å; G115-H117 PolarHBondContact O-CD2 3.49Å
116	S	97.2	Very high	96.7	Very high	75 Å²	75	53.3 Å²	53.3	52%	0.524	29%	0.287	S	S	.	.			trans	-78.3	131.8	164.2	-176.9	0	0	0	0	108.9	S37	S37-S116 PolarHBondContact O-OG 3.4Å
117	H	98.3	Very high	96.7	Very high	16 Å²	16	50.6 Å²	50.6	7%	0.074	28%	0.277	C	S	.	.			trans	-131.4	151.5	-177.6	-64.2	-73.9	0	0	0	110.7	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.33Å; S37-H117 PolarHBondContact N-O 3.25Å; S37-H117 PolarHBondContact OG-N 2.81Å; S37-H117 PolarHBondContact OG-O 3.3Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact NE2-CE1 2.99Å; Q111-H117 PolarHBondContact OE1-CE1 3.46Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.25Å; G115-H117 PolarHBondContact O-CD2 3.49Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.17Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.72Å; H117-D143 IonicContact CG-OD1 3.54Å; H117-D143 IonicContact CG-OD2 2.62Å; H117-D143 IonicContact ND1-OD1 3.86Å; H117-D143 PolarHBondContact ND1-OD1 2.84Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 2.7Å
118	T	98.7	Very high	96.5	Very high	39 Å²	39	48.9 Å²	48.9	24%	0.239	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	126.8	-176.6	-57.4	0	0	0	0	109.9	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4.05Å; A35-T118 WeakPolarHBondContact O-CA 3.3Å; V36-T118 HydrophobicContact CG2-CG2 4.19Å; T118-Q120 HydrophobicContact CG2-CG 3.9Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.31Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.21Å; T118-D143 PolarHBondContact N-OD1 3.42Å; T118-D143 PolarHBondContact O-N 3.14Å
119	L	98.8	Very high	96.1	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.8	168.8	175.6	61.2	0	0	0	108	T34 A35 D98 N101 L102 L105 A141	T34-L119 WeakPolarHBondContact CA-O 3.37Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.39Å; A35-L119 PolarHBondContact O-N 3.21Å; D98-L119 HydrophobicContact CB-CD2 4.18Å; N101-L119 HydrophobicContact CB-CD2 3.75Å; L102-L119 HydrophobicContact CD2-CB 3.71Å; L102-L119 HydrophobicContact CG-CB 4.17Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.24Å; L105-L119 HydrophobicContact CD1-CG 4.5Å; L119-A141 WeakPolarHBondContact CD1-O 3.34Å
120	Q	98.8	Very high	95.6	Very high	78 Å²	78	52.1 Å²	52.1	36%	0.364	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.9	176.8	-63	174	-91.8	0	0	109.2	D33 T34 T118 S140 A141	D33-Q120 CarbonylContact O-C 3.59Å; D33-Q120 VanDerWaalsContact O-CA 3.3Å; D33-Q120 WeakPolarHBondContact O-CA 3.5Å; T34-Q120 HydrophobicContact CG2-CG 4.15Å; T118-Q120 HydrophobicContact CG2-CG 3.9Å; Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 VanDerWaalsContact O-CA 3.25Å; Q120-S140 WeakPolarHBondContact O-CA 3.4Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.23Å; Q120-A141 PolarHBondContact O-N 3.37Å
121	W	98.7	Very high	95.2	Very high	30 Å²	30	45.8 Å²	45.8	11%	0.114	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.1	179.6	-179.3	41.3	0	0	0	110.2	F32 D33 Q94 Y123 D138 Q139 W180	F32-W121 WeakPolarHBondContact CA-O 3.4Å; D33-W121 HydrophobicContact CB-CB 4.24Å; D33-W121 HydrophobicContact CB-CE3 4.38Å; D33-W121 PolarHBondContact N-O 2.87Å; D33-W121 PolarHBondContact O-N 3.37Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.45Å; Q94-W121 HydrophobicContact CG-CE3 4.32Å; Q94-W121 HydrophobicContact CG-CZ3 4.12Å; W121-Y123 AromaticContact CD2-CD1 3.75Å; W121-Y123 HydrophobicContact CD2-CD1 3.75Å; W121-Y123 HydrophobicContact CD2-CE1 4.25Å; W121-Y123 AromaticContact CE2-CD1 3.63Å; W121-Y123 AromaticContact CE3-CD1 3.83Å; W121-Y123 HydrophobicContact CE3-CD1 3.83Å; W121-Y123 AromaticContact CE3-CE1 3.84Å; W121-Y123 HydrophobicContact CE3-CE1 3.84Å; W121-Y123 AromaticContact CH2-CD1 3.8Å; W121-Y123 HydrophobicContact CH2-CD1 3.8Å; W121-Y123 AromaticContact CH2-CE1 3.89Å; W121-Y123 HydrophobicContact CH2-CE1 3.89Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.26Å; W121-Y123 HydrophobicContact CZ2-CG 4.19Å; W121-Y123 AromaticContact CZ3-CD1 3.85Å; W121-Y123 HydrophobicContact CZ3-CD1 3.85Å; W121-Y123 AromaticContact CZ3-CE1 3.64Å; W121-Y123 HydrophobicContact CZ3-CE1 3.64Å; W121-D138 PolarHBondContact NE1-OD1 3.29Å; W121-Q139 WeakPolarHBondContact CA-O 3.22Å; W121-W180 AromaticContact CH2-CH2 3.32Å; W121-W180 HydrophobicContact CH2-CH2 3.32Å; W121-W180 AromaticContact CH2-CZ2 3.41Å; W121-W180 HydrophobicContact CH2-CZ2 3.41Å; W121-W180 VanDerWaalsContact CH2-CZ2 3.41Å; W121-W180 AromaticContact CZ2-CH2 3.17Å; W121-W180 HydrophobicContact CZ2-CH2 3.17Å; W121-W180 AromaticContact CZ2-CZ2 3.15Å; W121-W180 HydrophobicContact CZ2-CZ2 3.15Å; W121-W180 HydrophobicContact CZ2-CZ3 4.16Å
122	M	98.7	Very high	95	Very high	18 Å²	18	51.1 Å²	51.1	9%	0.089	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.2	176.5	-171.6	-77.7	-69.3	0	0	109	Y31 F32 Y137 D138 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.49Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.56Å; F32-M122 HydrophobicContact CE1-CB 4.23Å; F32-M122 HydrophobicContact CE1-CG 3.34Å; F32-M122 HydrophobicContact CG-CG 4.38Å; F32-M122 HydrophobicContact CZ-CG 4.01Å; M122-Y137 HydrophobicContact CE-CD1 3.93Å; M122-Y137 HydrophobicContact CE-CG 4Å; M122-D138 WeakPolarHBondContact O-CA 2.88Å; M122-Q139 HydrophobicContact CB-CG 4.03Å; M122-Q139 HydrophobicContact CE-CG 3.76Å; M122-Q139 PolarHBondContact N-O 3.16Å; M122-Q139 PolarHBondContact O-N 2.7Å
123	Y	98.6	Very high	95.1	Very high	26 Å²	26	49.9 Å²	49.9	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.9	174.2	67.1	-91.8	0	0	0	110.9	R30 Y31 W121 Y137 W180 Y183	R30-Y123 WeakPolarHBondContact CA-O 3.44Å; Y31-Y123 HydrophobicContact CD2-CD2 4.19Å; Y31-Y123 AromaticContact CD2-CE2 3.45Å; Y31-Y123 HydrophobicContact CD2-CE2 3.45Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.45Å; Y31-Y123 AromaticContact CD2-CZ 3.84Å; Y31-Y123 HydrophobicContact CE2-CE2 4.25Å; Y31-Y123 HydrophobicContact CG-CE1 4.35Å; Y31-Y123 AromaticContact CG-CE2 3.75Å; Y31-Y123 HydrophobicContact CG-CE2 3.75Å; Y31-Y123 AromaticContact CG-CZ 3.61Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 2.85Å; Y31-Y123 VanDerWaalsContact O-N 3.17Å; W121-Y123 AromaticContact CD2-CD1 3.75Å; W121-Y123 HydrophobicContact CD2-CD1 3.75Å; W121-Y123 HydrophobicContact CD2-CE1 4.25Å; W121-Y123 AromaticContact CE2-CD1 3.63Å; W121-Y123 AromaticContact CE3-CD1 3.83Å; W121-Y123 HydrophobicContact CE3-CD1 3.83Å; W121-Y123 AromaticContact CE3-CE1 3.84Å; W121-Y123 HydrophobicContact CE3-CE1 3.84Å; W121-Y123 AromaticContact CH2-CD1 3.8Å; W121-Y123 HydrophobicContact CH2-CD1 3.8Å; W121-Y123 AromaticContact CH2-CE1 3.89Å; W121-Y123 HydrophobicContact CH2-CE1 3.89Å; W121-Y123 AromaticContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CD1 3.68Å; W121-Y123 HydrophobicContact CZ2-CE1 4.26Å; W121-Y123 HydrophobicContact CZ2-CG 4.19Å; W121-Y123 AromaticContact CZ3-CD1 3.85Å; W121-Y123 HydrophobicContact CZ3-CD1 3.85Å; W121-Y123 AromaticContact CZ3-CE1 3.64Å; W121-Y123 HydrophobicContact CZ3-CE1 3.64Å; Y123-Y137 WeakPolarHBondContact CA-O 3.38Å; Y123-Y137 WeakPolarHBondContact CB-O 3.42Å; Y123-W180 HydrophobicContact CD2-CZ3 4.14Å; Y123-W180 HydrophobicContact CG-CH2 4.37Å; Y123-W180 HydrophobicContact CG-CZ3 4.2Å; Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CE2-CE1 4.14Å
124	G	98.4	Very high	95.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.7	-175.7	-178.7	0	0	0	0	0	114.4	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.58Å; M29-G124 WeakPolarHBondContact O-CA 3.22Å; G124-G136 CarbonylContact O-C 3.55Å; G124-Y137 PolarHBondContact N-O 2.77Å; G124-Y137 PolarHBondContact O-N 2.91Å; G124-L184 WeakPolarHBondContact O-CD2 3.43Å
125	C	98.3	Very high	95.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.7	-177.2	53.2	0	0	0	0	111.4	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.59Å; S28-C125 WeakPolarHBondContact CA-O 3.29Å; M29-C125 PolarHBondContact N-O 2.91Å; M29-C125 PolarHBondContact O-N 2.9Å; C125-L133 HydrophobicContact CB-CD1 3.54Å; C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.02Å
126	D	97.7	Very high	95.8	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.112	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.4	170.3	-59.6	-12.9	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.17Å; R30-D126 IonicContact CZ-OD1 3.65Å; R30-D126 IonicContact NE-OD1 3.74Å; R30-D126 PolarHBondContact NE-OD1 3.46Å; R30-D126 VanDerWaalsContact NH2-CG 3.33Å; R30-D126 IonicContact NH2-OD1 2.79Å; R30-D126 PolarHBondContact NH2-OD1 2.99Å; R30-D126 IonicContact NH2-OD2 3.48Å; R30-D126 PolarHBondContact NH2-OD2 3.21Å; R30-D126 VanDerWaalsContact NH2-OD2 3.1Å; D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 PolarHBondContact O-N 3.29Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 3.34Å; D126-R135 PolarHBondContact O-N 3.09Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.4Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å
127	L	96.1	Very high	95.9	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134.7	172	-58.5	-177.2	0	0	0	110.1	S26 H27 R132 V189 L192 R193 L196	S26-L127 VanDerWaalsContact CA-O 3.29Å; S26-L127 WeakPolarHBondContact CA-O 3.32Å; S26-L127 WeakPolarHBondContact CB-O 3.36Å; H27-L127 PolarHBondContact N-O 2.92Å; H27-L127 PolarHBondContact O-N 2.92Å; L127-R132 CarbonylContact C-O 3.6Å; L127-R132 VanDerWaalsContact CA-O 3.26Å; L127-R132 WeakPolarHBondContact CA-O 3.13Å; L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.72Å; L127-V189 HydrophobicContact CD2-CG2 3.76Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.19Å; L127-R193 HydrophobicContact CD1-CG 3.93Å; L127-L196 HydrophobicContact CD1-CD1 4.49Å
128	G	92.6	Very high	95.9	Very high	8 Å²	8	43.8 Å²	43.8	8%	0.082	22%	0.218	C	C	.	.			trans	-69.9	174.1	165	0	0	0	0	0	111.7	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.24Å; G128-G131 WeakPolarHBondContact O-CA 3.23Å; G128-G131 PolarHBondContact O-N 3.36Å; G128-R132 PolarHBondContact N-O 3.49Å
129	P	87.9	Confident	95.8	Very high	88 Å²	88	45.9 Å²	45.9	57%	0.571	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.9	179.7	-18.2	29.8	0	0	0	113.7	A24 G131	A24-P129 HydrophobicContact CB-CB 3.61Å; A24-P129 HydrophobicContact CB-CG 3.14Å; P129-G131 PolarHBondContact O-N 2.74Å
130	D	87.8	Confident	95.8	Very high	104 Å²	104	46.2 Å²	46.2	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	2.7	173.4	69.5	-15	0	0	0	112.8	G128 R132	G128-D130 PolarHBondContact O-N 3.24Å; D130-R132 PolarHBondContact O-N 2.79Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 3.11Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.47Å; D130-R132 IonicContact OD2-NE 2.73Å
131	G	87.8	Confident	95.8	Very high	19 Å²	19	43.3 Å²	43.3	20%	0.196	22%	0.217	C	C	.	.	S	Bend	trans	72.8	9.3	-178.8	0	0	0	0	0	114	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.23Å; G128-G131 PolarHBondContact O-N 3.36Å; P129-G131 PolarHBondContact O-N 2.74Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 VanDerWaalsContact O-NE 3.07Å; G131-R193 PolarHBondContact O-NH2 2.6Å
132	R	92.9	Very high	95.8	Very high	171 Å²	171	42.4 Å²	42.4	65%	0.645	21%	0.214	S	C	*	.	S	Bend	trans	-89.1	157.7	178.5	-61.6	-173.4	-176.5	173.3	-2	111.2	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.6Å; L127-R132 VanDerWaalsContact CA-O 3.26Å; L127-R132 WeakPolarHBondContact CA-O 3.13Å; G128-R132 PolarHBondContact N-O 3.49Å; D130-R132 PolarHBondContact O-N 2.79Å; D130-R132 WeakPolarHBondContact OD1-CB 3.46Å; D130-R132 PolarHBondContact OD1-N 3.11Å; D130-R132 WeakPolarHBondContact OD2-CD 3.41Å; D130-R132 WeakPolarHBondContact OD2-CG 3.47Å; D130-R132 IonicContact OD2-NE 2.73Å; R132-L134 PolarHBondContact O-N 3.19Å; R132-L134 VanDerWaalsContact O-N 3.1Å
133	L	95.8	Very high	95.8	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.257	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	118.1	173.8	-176.7	71.2	0	0	0	109.5	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.54Å; L133-R135 WeakPolarHBondContact CD1-O 3.23Å; L133-L154 HydrophobicContact CD2-CD1 4.25Å; L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.57Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å
134	L	95.4	Very high	95.8	Very high	121 Å²	121	46.1 Å²	46.1	63%	0.634	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-45.4	171.2	179.5	63	0	0	0	110.2	D126 R132	D126-L134 HydrophobicContact CB-CB 4.33Å; D126-L134 PolarHBondContact O-N 3.29Å; R132-L134 PolarHBondContact O-N 3.19Å; R132-L134 VanDerWaalsContact O-N 3.1Å
135	R	95.9	Very high	95.8	Very high	95 Å²	95	53.9 Å²	53.9	36%	0.358	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	142.3	-177.9	-174.9	163.5	171.4	146.2	11.7	111.7	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.55Å; C125-R135 WeakPolarHBondContact CA-O 3.44Å; D126-R135 HydrophobicContact CB-CB 4.38Å; D126-R135 PolarHBondContact N-O 3.34Å; D126-R135 PolarHBondContact O-N 3.09Å; L133-R135 WeakPolarHBondContact CD1-O 3.23Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 PolarHBondContact NE-OH 3.22Å; R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.5Å; R135-E152 IonicContact CZ-OE1 3.91Å; R135-E152 IonicContact NH1-OE1 3.85Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.62Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å
136	G	97.6	Very high	95.8	Very high	5 Å²	5	60 Å²	60	5%	0.052	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	152.7	170.9	0	0	0	0	0	111.5	G124	G124-G136 CarbonylContact O-C 3.55Å
137	Y	98.1	Very high	95.8	Very high	33 Å²	33	59.5 Å²	59.5	13%	0.129	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.9	-179.3	-55.2	-96.4	0	0	0	110.6	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact CZ-CE2 3.46Å; R30-Y137 PolarHBondContact NH2-OH 2.82Å; M122-Y137 HydrophobicContact CE-CD1 3.93Å; M122-Y137 HydrophobicContact CE-CG 4Å; Y123-Y137 WeakPolarHBondContact CA-O 3.38Å; Y123-Y137 WeakPolarHBondContact CB-O 3.42Å; G124-Y137 PolarHBondContact N-O 2.77Å; G124-Y137 PolarHBondContact O-N 2.91Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.4Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.26Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.3Å; D126-Y137 PolarHBondContact OD2-OH 3.26Å; R135-Y137 HydrophobicContact CB-CE2 4.1Å; R135-Y137 VanDerWaalsContact CD-CZ 3.47Å; R135-Y137 VanDerWaalsContact CD-OH 3.22Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.42Å; R135-Y137 HydrophobicContact CG-CE1 4.11Å; R135-Y137 HydrophobicContact CG-CE2 3.74Å; R135-Y137 PolarHBondContact NE-OH 3.22Å
138	D	98.2	Very high	95.9	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	109.1	162.2	172.9	-4.6	0	0	0	106.4	W121 M122 A149 L150 W157 W180	W121-D138 PolarHBondContact NE1-OD1 3.29Å; M122-D138 WeakPolarHBondContact O-CA 2.88Å; D138-A149 CarbonylContact O-C 3.49Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.14Å; D138-L150 PolarHBondContact O-N 3.39Å; D138-W157 WeakPolarHBondContact OD2-CH2 2.94Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.4Å; D138-W180 VanDerWaalsContact OD2-CD1 3.28Å; D138-W180 VanDerWaalsContact OD2-CD2 3.24Å; D138-W180 PolarHBondContact OD2-NE1 3.15Å
139	Q	98.4	Very high	96.2	Very high	83 Å²	83	60.5 Å²	60.5	39%	0.388	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	133.7	-178.6	63.1	-169.8	54.1	0	0	111.6	W121 M122 I148 A149	W121-Q139 WeakPolarHBondContact CA-O 3.22Å; M122-Q139 HydrophobicContact CB-CG 4.03Å; M122-Q139 HydrophobicContact CE-CG 3.76Å; M122-Q139 PolarHBondContact N-O 3.16Å; M122-Q139 PolarHBondContact O-N 2.7Å; Q139-I148 WeakPolarHBondContact CA-O 3.3Å; Q139-A149 HydrophobicContact CB-CB 3.83Å
140	S	98.6	Very high	96.7	Very high	16 Å²	16	57 Å²	57	11%	0.112	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145	179	-61.4	0	0	0	0	111.1	Q120 Y147 I148	Q120-S140 CarbonylContact O-C 3.57Å; Q120-S140 VanDerWaalsContact O-CA 3.25Å; Q120-S140 WeakPolarHBondContact O-CA 3.4Å; S140-Y147 WeakPolarHBondContact O-CA 3.33Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 3.14Å; S140-I148 PolarHBondContact N-O 3.38Å; S140-I148 PolarHBondContact O-N 3.21Å
141	A	98.8	Very high	97.2	Very high	16 Å²	16	54.2 Å²	54.2	13%	0.132	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145.1	173.2	0	0	0	0	0	110.6	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.34Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.23Å; Q120-A141 PolarHBondContact O-N 3.37Å; A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å
142	Y	98.8	Very high	97.5	Very high	11 Å²	11	59.5 Å²	59.5	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128	177.4	-174	-119.9	0	0	0	110.4	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.05Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.19Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.85Å; L105-Y142 HydrophobicContact CB-CG 4.43Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.95Å; L105-Y142 HydrophobicContact CD1-CG 4.03Å; L105-Y142 HydrophobicContact CG-CD2 4.45Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.46Å; Y109-Y142 HydrophobicContact CD2-CE1 3.46Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.46Å; Y109-Y142 AromaticContact CE2-CD1 3.41Å; Y109-Y142 HydrophobicContact CE2-CD1 3.41Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.41Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.41Å; Y109-Y142 HydrophobicContact CG-CE1 4.4Å; Q111-Y142 PolarHBondContact OE1-OH 2.71Å; H117-Y142 HydrophobicContact CB-CE2 3.82Å; H117-Y142 WeakPolarHBondContact CB-OH 3.28Å; H117-Y142 AromaticContact CG-CZ 3.98Å; H117-Y142 AromaticContact ND1-CZ 3.92Å; H117-Y142 PolarHBondContact ND1-OH 3.17Å; T118-Y142 CarbonylContact O-C 3.59Å; T118-Y142 WeakPolarHBondContact O-CA 3.31Å; T118-Y142 VanDerWaalsContact O-CD2 3.3Å; T118-Y142 WeakPolarHBondContact O-CD2 3.21Å; Y142-G144 PolarHBondContact O-N 3.09Å; Y142-K145 PolarHBondContact N-O 2.95Å; Y142-K145 PolarHBondContact O-N 2.86Å; Y142-K145 VanDerWaalsContact O-N 3.08Å
143	D	98.3	Very high	97.5	Very high	63 Å²	63	55.2 Å²	55.2	34%	0.337	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.7	-174.3	-66.1	-22	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 2.83Å; H117-D143 WeakPolarHBondContact CA-OD1 3.44Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 2.72Å; H117-D143 IonicContact CG-OD1 3.54Å; H117-D143 IonicContact CG-OD2 2.62Å; H117-D143 IonicContact ND1-OD1 3.86Å; H117-D143 PolarHBondContact ND1-OD1 2.84Å; H117-D143 IonicContact ND1-OD2 3.66Å; H117-D143 PolarHBondContact ND1-OD2 2.7Å; T118-D143 PolarHBondContact N-OD1 3.42Å; T118-D143 PolarHBondContact O-N 3.14Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.65Å
144	G	97.5	Very high	97.3	Very high	60 Å²	60	53.3 Å²	53.3	62%	0.619	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	10.3	177.8	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.09Å
145	K	98.5	Very high	97.1	Very high	162 Å²	162	51 Å²	51	70%	0.704	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	145.3	176.2	-61.6	-178.9	-177.3	178.4	0	110.8	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.53Å; A141-K145 WeakPolarHBondContact CA-O 3.19Å; A141-K145 VanDerWaalsContact CB-O 3.26Å; A141-K145 WeakPolarHBondContact CB-O 3.28Å; Y142-K145 PolarHBondContact N-O 2.95Å; Y142-K145 PolarHBondContact O-N 2.86Å; Y142-K145 VanDerWaalsContact O-N 3.08Å; D143-K145 VanDerWaalsContact C-N 3.32Å; D143-K145 PolarHBondContact O-N 2.65Å; K145-Y147 PolarHBondContact O-N 3.28Å
146	D	98.7	Very high	97.1	Very high	130 Å²	130	48.2 Å²	48.2	70%	0.695	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.4	136.5	174.5	-65.5	-19.4	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.04Å
147	Y	98.8	Very high	97.1	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-63.5	178.5	-179.9	-115.8	0	0	0	110.5	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.34Å; L105-Y147 HydrophobicContact CD2-CD2 4.25Å; L105-Y147 HydrophobicContact CD2-CE1 3.72Å; L105-Y147 HydrophobicContact CD2-CE2 3.6Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.17Å; Y109-Y147 HydrophobicContact CE2-CE2 4.25Å; Y109-Y147 VanDerWaalsContact OH-CD2 3.24Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.4Å; S140-Y147 WeakPolarHBondContact O-CA 3.33Å; S140-Y147 WeakPolarHBondContact O-CB 3.42Å; S140-Y147 PolarHBondContact O-N 3.14Å; K145-Y147 PolarHBondContact O-N 3.28Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 2.82Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 2.89Å; Y147-A163 VanDerWaalsContact OH-O 3.12Å; Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 HydrophobicContact CE2-CB 3.6Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; Y147-T167 HydrophobicContact CE1-CG2 4.25Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å
148	I	98.6	Very high	97.2	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	142	179.6	-163.6	169.6	0	0	0	109.9	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.3Å; S140-I148 PolarHBondContact N-O 3.38Å; S140-I148 PolarHBondContact O-N 3.21Å; I148-W157 HydrophobicContact CD1-CB 4.35Å; I148-W157 HydrophobicContact CD1-CD2 4.5Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; I148-Q168 HydrophobicContact CD1-CB 3.91Å; I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.18Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å
149	A	98.6	Very high	97.2	Very high	29 Å²	29	51.5 Å²	51.5	24%	0.24	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	141.1	178.4	0	0	0	0	0	111.5	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.49Å; D138-A149 WeakPolarHBondContact O-CA 3.43Å; Q139-A149 HydrophobicContact CB-CB 3.83Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.26Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3.41Å
150	L	98.4	Very high	97.2	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.3	168.1	-172.2	68.6	0	0	0	108.6	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.24Å; D138-L150 WeakPolarHBondContact O-CB 3.14Å; D138-L150 PolarHBondContact O-N 3.39Å; L150-L154 WeakPolarHBondContact CD1-O 3.31Å; L150-L154 HydrophobicContact CD2-CD2 3.94Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.06Å; L150-W157 HydrophobicContact CD1-CE3 4.16Å; L150-W157 HydrophobicContact CD1-CH2 3.93Å; L150-W157 HydrophobicContact CD1-CZ2 3.83Å; L150-W157 HydrophobicContact CD1-CZ3 4.07Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-W180 HydrophobicContact CD2-CB 4.06Å; L150-L184 HydrophobicContact CD2-CD1 3.85Å
151	N	97.6	Very high	97.2	Very high	46 Å²	46	52.2 Å²	52.2	25%	0.246	31%	0.306	C	S	.	.			trans	-76	160.5	179.9	-68.2	-29.2	0	0	0	111.2	D153 L154 S156 T158	N151-D153 WeakPolarHBondContact CB-OD1 3.37Å; N151-D153 PolarHBondContact O-N 3.08Å; N151-D153 VanDerWaalsContact O-N 3.12Å; N151-L154 WeakPolarHBondContact O-CA 3.29Å; N151-L154 PolarHBondContact O-N 3.41Å; N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 VanDerWaalsContact CB-OG 3.29Å; N151-S156 WeakPolarHBondContact CB-OG 3.41Å; N151-S156 PolarHBondContact N-O 2.72Å; N151-S156 PolarHBondContact ND2-OG 3.32Å; N151-T158 PolarHBondContact ND2-OG1 3.33Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 2.86Å
152	E	94.9	Very high	97.1	Very high	129 Å²	129	56.8 Å²	56.8	60%	0.603	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-24.4	-178.1	-66.9	177.9	-159.7	0	0	113.9	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.42Å; R135-E152 VanDerWaalsContact CZ-CG 3.5Å; R135-E152 IonicContact CZ-OE1 3.91Å; R135-E152 IonicContact NH1-OE1 3.85Å; R135-E152 PolarHBondContact NH1-OE1 2.85Å; R135-E152 IonicContact NH1-OE2 3.62Å; R135-E152 VanDerWaalsContact NH2-CG 3.31Å; R135-E152 IonicContact NH2-OE1 2.77Å; R135-E152 PolarHBondContact NH2-OE1 2.81Å; E152-L154 PolarHBondContact O-N 3.08Å
153	D	92.3	Very high	97.1	Very high	81 Å²	81	56.5 Å²	56.5	43%	0.433	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.1	176.4	63.2	-12	0	0	0	112.4	N151 P155 S156 R181	N151-D153 WeakPolarHBondContact CB-OD1 3.37Å; N151-D153 PolarHBondContact O-N 3.08Å; N151-D153 VanDerWaalsContact O-N 3.12Å; D153-P155 HydrophobicContact CB-CG 4.49Å; D153-P155 VanDerWaalsContact CG-CD 3.46Å; D153-P155 WeakPolarHBondContact O-CD 3.48Å; D153-S156 PolarHBondContact OD1-N 3.22Å; D153-S156 PolarHBondContact OD1-OG 2.86Å; D153-S156 PolarHBondContact OD2-OG 2.87Å; D153-R181 PolarHBondContact O-NH2 2.81Å; D153-R181 VanDerWaalsContact O-NH2 3.12Å
154	L	90.9	Very high	97.1	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	32%	0.317	C	S	.	.	S	Bend	trans	77	-13.6	-176.6	-53.4	177.6	0	0	0	119.1	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 WeakPolarHBondContact CD1-O 3.31Å; L150-L154 HydrophobicContact CD2-CD2 3.94Å; N151-L154 WeakPolarHBondContact O-CA 3.29Å; N151-L154 PolarHBondContact O-N 3.41Å; E152-L154 PolarHBondContact O-N 3.08Å; L154-R181 HydrophobicContact CB-CB 4.42Å; L154-R181 HydrophobicContact CB-CG 4.29Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; L154-L184 HydrophobicContact CD2-CD1 4.07Å; L154-E185 HydrophobicContact CD1-CG 4.26Å
155	P	92.6	Very high	97.2	Very high	72 Å²	72	54.1 Å²	54.1	47%	0.468	30%	0.304	S	S	.	.	S	Bend	trans	-97.4	-12.6	171.6	36.8	-38.5	0	0	0	114	D153	D153-P155 HydrophobicContact CB-CG 4.49Å; D153-P155 VanDerWaalsContact CG-CD 3.46Å; D153-P155 WeakPolarHBondContact O-CD 3.48Å
156	S	95.1	Very high	97.1	Very high	37 Å²	37	49.2 Å²	49.2	26%	0.259	28%	0.284	S	S	.	.			trans	-113.5	156.1	-171.2	74.4	0	0	0	0	113.4	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.3Å; N151-S156 VanDerWaalsContact CB-OG 3.29Å; N151-S156 WeakPolarHBondContact CB-OG 3.41Å; N151-S156 PolarHBondContact N-O 2.72Å; N151-S156 PolarHBondContact ND2-OG 3.32Å; D153-S156 PolarHBondContact OD1-N 3.22Å; D153-S156 PolarHBondContact OD1-OG 2.86Å; D153-S156 PolarHBondContact OD2-OG 2.87Å
157	W	98.2	Very high	97.1	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.1	-177.7	-61.5	92.9	0	0	0	111.2	D138 I148 A149 L150 Q168 W171 E176 A177	D138-W157 WeakPolarHBondContact OD2-CH2 2.94Å; I148-W157 HydrophobicContact CD1-CB 4.35Å; I148-W157 HydrophobicContact CD1-CD2 4.5Å; I148-W157 HydrophobicContact CD1-CE3 4.28Å; I148-W157 HydrophobicContact CG1-CB 4.41Å; I148-W157 HydrophobicContact CG1-CE3 4.08Å; A149-W157 CarbonylContact O-C 3.59Å; A149-W157 WeakPolarHBondContact O-CA 3.26Å; L150-W157 HydrophobicContact CB-CE3 4.03Å; L150-W157 HydrophobicContact CB-CH2 4.15Å; L150-W157 HydrophobicContact CB-CZ3 3.68Å; L150-W157 HydrophobicContact CD1-CD2 4.06Å; L150-W157 HydrophobicContact CD1-CE3 4.16Å; L150-W157 HydrophobicContact CD1-CH2 3.93Å; L150-W157 HydrophobicContact CD1-CZ2 3.83Å; L150-W157 HydrophobicContact CD1-CZ3 4.07Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.43Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å
158	T	98.5	Very high	97.1	Very high	76 Å²	76	45.3 Å²	45.3	47%	0.466	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.9	167.1	-67	0	0	0	0	109.4	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; A149-T158 PolarHBondContact N-O 3.34Å; A149-T158 PolarHBondContact O-N 3.41Å; N151-T158 PolarHBondContact ND2-OG1 3.33Å; N151-T158 WeakPolarHBondContact OD1-CB 3.44Å; N151-T158 PolarHBondContact OD1-OG1 2.86Å
159	A	98.6	Very high	97.1	Very high	22 Å²	22	52.4 Å²	52.4	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130.9	174.8	0	0	0	0	0	110.5	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.69Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.37Å
160	A	98.4	Very high	97.1	Very high	59 Å²	59	56.4 Å²	56.4	49%	0.488	30%	0.302	S	S	.	.	S	Bend	trans	-73.9	-30.5	-177	0	0	0	0	0	113.4	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.26Å; D146-A160 WeakPolarHBondContact O-CB 3.04Å; Y147-A160 WeakPolarHBondContact O-CB 3.4Å; Y147-A160 PolarHBondContact O-N 2.82Å
161	D	98.3	Very high	97	Very high	55 Å²	55	58.5 Å²	58.5	29%	0.294	31%	0.309	S	S	.	.	S	Bend	trans	-151.8	-175.3	-179.2	68.4	27	0	0	0	113.7	Y109 A163 A164 Q165	Y109-D161 VanDerWaalsContact CE1-OD2 3.28Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.39Å; Y109-D161 PolarHBondContact OH-OD1 2.82Å; Y109-D161 PolarHBondContact OH-OD2 2.62Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.89Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 3.28Å; D161-A164 WeakPolarHBondContact O-CB 3.44Å; D161-A164 PolarHBondContact O-N 2.81Å; D161-A164 PolarHBondContact OD1-N 3.39Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.93Å
162	T	98.1	Very high	97	Very high	111 Å²	111	60.9 Å²	60.9	68%	0.681	32%	0.319	S	S	*	.	H	α-helix	trans	-64.9	-28.4	-179.1	51.6	0	0	0	0	113.8
163	A	98	Very high	97.2	Very high	6 Å²	6	58.8 Å²	58.8	5%	0.05	32%	0.323	C	S	.	.	H	α-helix	trans	-75.2	-37.4	175.9	0	0	0	0	0	110.6	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.08Å; Y109-A163 HydrophobicContact CE1-CB 3.51Å; Y109-A163 HydrophobicContact CE2-CB 4.01Å; Y109-A163 VanDerWaalsContact CZ-CB 3.48Å; Y147-A163 HydrophobicContact CE2-CB 4.49Å; Y147-A163 PolarHBondContact OH-O 2.89Å; Y147-A163 VanDerWaalsContact OH-O 3.12Å; D161-A163 VanDerWaalsContact C-N 3.29Å; D161-A163 PolarHBondContact O-N 2.89Å; D161-A163 WeakPolarHBondContact OD1-CA 3.38Å; D161-A163 WeakPolarHBondContact OD1-CB 3.39Å; D161-A163 PolarHBondContact OD1-N 3.28Å; A163-Q165 VanDerWaalsContact C-N 3.34Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 PolarHBondContact O-N 2.97Å
164	A	98.4	Very high	97.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.2	-36.1	172	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.74Å; Y147-A164 HydrophobicContact CE2-CB 3.6Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.38Å; A159-A164 HydrophobicContact CB-CB 3.69Å; D161-A164 WeakPolarHBondContact O-CB 3.44Å; D161-A164 PolarHBondContact O-N 2.81Å; D161-A164 PolarHBondContact OD1-N 3.39Å; A164-I166 PolarHBondContact O-N 3.03Å; A164-I166 VanDerWaalsContact O-N 3.17Å; A164-T167 WeakPolarHBondContact O-CA 3.44Å; A164-T167 WeakPolarHBondContact O-CB 2.83Å; A164-T167 PolarHBondContact O-N 3.27Å; A164-Q168 PolarHBondContact O-N 2.9Å
165	Q	98.6	Very high	97.7	Very high	73 Å²	73	64.3 Å²	64.3	34%	0.341	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-27.6	174.8	-72.7	173.9	12.3	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.48Å; D161-Q165 PolarHBondContact O-N 2.93Å; A163-Q165 VanDerWaalsContact C-N 3.34Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3Å; Q165-R169 VanDerWaalsContact O-N 3.13Å
166	I	98.2	Very high	97.9	Very high	59 Å²	59	63.4 Å²	63.4	30%	0.303	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-42.7	174.3	-58.9	170.8	0	0	0	110.2	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.22Å; Y108-I166 HydrophobicContact CD2-CD1 4.49Å; Y108-I166 HydrophobicContact CE1-CD1 4.46Å; Y108-I166 HydrophobicContact CE1-CG2 4.09Å; Y108-I166 HydrophobicContact CE2-CB 4.2Å; Y108-I166 HydrophobicContact CE2-CG2 4.04Å; Y108-I166 HydrophobicContact CG-CD1 4.25Å; A163-I166 WeakPolarHBondContact O-CB 3.41Å; A163-I166 PolarHBondContact O-N 2.97Å; A164-I166 PolarHBondContact O-N 3.03Å; A164-I166 VanDerWaalsContact O-N 3.17Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.84Å
167	T	98.2	Very high	98	Very high	18 Å²	18	62 Å²	62	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-70.3	-44.1	177.3	-65.3	0	0	0	0	111	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.25Å; Y147-T167 WeakPolarHBondContact OH-CB 3.33Å; Y147-T167 PolarHBondContact OH-OG1 2.88Å; I148-T167 HydrophobicContact CD1-CG2 4.23Å; A164-T167 WeakPolarHBondContact O-CA 3.44Å; A164-T167 WeakPolarHBondContact O-CB 2.83Å; A164-T167 PolarHBondContact O-N 3.27Å; T167-R169 PolarHBondContact O-N 3.08Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 2.89Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.45Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 PolarHBondContact O-N 3.01Å
168	Q	98.5	Very high	98	Very high	39 Å²	39	66.2 Å²	66.2	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-50.1	-53.8	174.7	177	176.4	12.6	0	0	111.9	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.91Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 2.82Å; A159-Q168 HydrophobicContact CB-CB 4.37Å; A164-Q168 PolarHBondContact O-N 2.9Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.41Å; Q168-W171 PolarHBondContact O-N 3.01Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.32Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 3.04Å
169	R	98.5	Very high	97.9	Very high	154 Å²	154	68.6 Å²	68.6	58%	0.581	36%	0.355	S	S	*	.	H	α-helix	trans	-59.8	-35.4	179.8	-68.4	171.8	-163.2	151.1	8.9	112.8	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.46Å; Q165-R169 PolarHBondContact O-N 3Å; Q165-R169 VanDerWaalsContact O-N 3.13Å; T167-R169 PolarHBondContact O-N 3.08Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.15Å; R169-A173 PolarHBondContact O-N 3.46Å; R169-A173 VanDerWaalsContact O-N 3.09Å
170	K	97.8	Very high	97.8	Very high	112 Å²	112	69.6 Å²	69.6	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-69	-44	176.9	-72.2	175.4	179.4	-177.1	0	111.2	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 2.95Å; I166-K170 WeakPolarHBondContact O-CG 3.36Å; I166-K170 PolarHBondContact O-N 2.84Å; T167-K170 WeakPolarHBondContact O-CB 3.37Å; T167-K170 PolarHBondContact O-N 2.89Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.41Å; K170-A173 PolarHBondContact O-N 2.77Å; K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 2.89Å
171	W	97.9	Very high	97.7	Very high	59 Å²	59	71.3 Å²	71.3	22%	0.223	35%	0.348	C	S	.	.	H	α-helix	trans	-69.7	-38.1	-179.7	-73.9	2.3	0	0	0	112.4	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.93Å; I148-W171 HydrophobicContact CD1-CZ3 4.18Å; I148-W171 HydrophobicContact CG2-CE3 4.48Å; I148-W171 HydrophobicContact CG2-CH2 4Å; I148-W171 HydrophobicContact CG2-CZ3 3.69Å; W157-W171 AromaticContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CE3 3.9Å; W157-W171 HydrophobicContact CD2-CZ3 4.43Å; W157-W171 AromaticContact CE2-CE3 3.79Å; W157-W171 AromaticContact CE3-CE3 3.75Å; W157-W171 HydrophobicContact CE3-CE3 3.75Å; W157-W171 AromaticContact CE3-CZ3 3.81Å; W157-W171 HydrophobicContact CE3-CZ3 3.81Å; W157-W171 AromaticContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CE3 3.42Å; W157-W171 VanDerWaalsContact CH2-CE3 3.42Å; W157-W171 HydrophobicContact CH2-CH2 4.48Å; W157-W171 AromaticContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CH2-CZ3 3.41Å; W157-W171 VanDerWaalsContact CH2-CZ3 3.41Å; W157-W171 HydrophobicContact CZ2-CD2 4.42Å; W157-W171 AromaticContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CE3 3.56Å; W157-W171 HydrophobicContact CZ2-CZ3 4.06Å; W157-W171 AromaticContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CE3 3.53Å; W157-W171 HydrophobicContact CZ3-CH2 4.47Å; W157-W171 AromaticContact CZ3-CZ3 3.27Å; W157-W171 HydrophobicContact CZ3-CZ3 3.27Å; T167-W171 HydrophobicContact CG2-CD2 3.76Å; T167-W171 HydrophobicContact CG2-CE3 4.28Å; T167-W171 HydrophobicContact CG2-CG 4.14Å; T167-W171 HydrophobicContact CG2-CH2 4.45Å; T167-W171 HydrophobicContact CG2-CZ2 3.94Å; T167-W171 PolarHBondContact O-N 3.01Å; Q168-W171 PolarHBondContact O-N 3.01Å; Q168-W171 VanDerWaalsContact O-N 3.13Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.16Å; W171-R175 PolarHBondContact O-N 2.93Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.83Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.18Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.48Å
172	E	97.9	Very high	97.7	Very high	96 Å²	96	71.8 Å²	71.8	45%	0.449	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-47.1	171.4	-72.7	169.8	173.7	0	0	111.2	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.3Å; Q168-E172 VanDerWaalsContact CG-OE1 3.24Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.32Å; Q168-E172 PolarHBondContact NE2-OE1 2.83Å; Q168-E172 WeakPolarHBondContact O-CB 3.4Å; Q168-E172 WeakPolarHBondContact O-CG 3.29Å; Q168-E172 PolarHBondContact O-N 3.04Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.8Å; E172-R175 PolarHBondContact O-N 3.09Å; E172-R175 VanDerWaalsContact O-N 3.11Å
173	A	97.8	Very high	97.7	Very high	85 Å²	85	68.8 Å²	68.8	70%	0.702	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-32	177.1	0	0	0	0	0	113.1	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.15Å; R169-A173 PolarHBondContact O-N 3.46Å; R169-A173 VanDerWaalsContact O-N 3.09Å; K170-A173 PolarHBondContact O-N 2.77Å
174	A	97.5	Very high	97.7	Very high	53 Å²	53	68.5 Å²	68.5	44%	0.438	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-2.8	177.1	0	0	0	0	0	113.9	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.48Å; K170-A174 PolarHBondContact O-N 2.89Å; W171-A174 CarbonylContact O-C 3.57Å; W171-A174 PolarHBondContact O-N 3.16Å; E172-A174 VanDerWaalsContact C-N 3.26Å; E172-A174 PolarHBondContact O-N 2.8Å; A174-E176 HydrophobicContact CB-CG 4.04Å; A174-E176 PolarHBondContact O-N 3.29Å
175	R	96.9	Very high	97.6	Very high	153 Å²	153	73.1 Å²	73.1	58%	0.577	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	38.7	-176	-56.5	174.1	73.5	-170.2	1.1	113	W171 E172 A177 E178	W171-R175 PolarHBondContact O-N 2.93Å; E172-R175 PolarHBondContact O-N 3.09Å; E172-R175 VanDerWaalsContact O-N 3.11Å; R175-A177 PolarHBondContact O-N 3.16Å; R175-E178 HydrophobicContact CB-CG 4.43Å; R175-E178 VanDerWaalsContact CZ-CD 3.43Å; R175-E178 IonicContact CZ-OE1 2.7Å; R175-E178 IonicContact CZ-OE2 2.92Å; R175-E178 IonicContact NE-OE1 3.65Å; R175-E178 PolarHBondContact NE-OE1 3.24Å; R175-E178 IonicContact NE-OE2 3.37Å; R175-E178 PolarHBondContact NE-OE2 3.12Å; R175-E178 VanDerWaalsContact NE-OE2 3.1Å; R175-E178 IonicContact NH1-OE2 3.16Å; R175-E178 IonicContact NH2-OE1 2.65Å; R175-E178 PolarHBondContact NH2-OE1 3.38Å; R175-E178 IonicContact NH2-OE2 2.89Å; R175-E178 PolarHBondContact NH2-OE2 2.99Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 2.89Å; R175-E178 VanDerWaalsContact O-N 3.09Å
176	E	96.9	Very high	97.6	Very high	54 Å²	54	70.7 Å²	70.7	25%	0.252	35%	0.35	S	S	.	.	H	α-helix	trans	-57.8	-35.5	-178.5	-68.4	-79.6	-171.9	0	0	112.3	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 3.96Å; W171-E176 HydrophobicContact CB-CG 3.83Å; W171-E176 HydrophobicContact CD2-CG 4.49Å; W171-E176 HydrophobicContact CG-CB 4.18Å; W171-E176 HydrophobicContact CG-CG 3.8Å; W171-E176 PolarHBondContact O-N 3.48Å; A174-E176 HydrophobicContact CB-CG 4.04Å; A174-E176 PolarHBondContact O-N 3.29Å; E176-E178 PolarHBondContact O-N 3.23Å; E176-E178 VanDerWaalsContact O-N 3.16Å; E176-Q179 WeakPolarHBondContact O-CB 3.37Å; E176-Q179 PolarHBondContact O-N 3.24Å; E176-W180 PolarHBondContact O-N 3.49Å; E176-W180 VanDerWaalsContact O-N 3.08Å
177	A	97.4	Very high	97.6	Very high	8 Å²	8	70.4 Å²	70.4	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-58.1	-30.3	178.7	0	0	0	0	0	113	L150 W157 R175 W180 R181	L150-A177 HydrophobicContact CD1-CB 4.03Å; W157-A177 HydrophobicContact CZ2-CB 4.23Å; R175-A177 PolarHBondContact O-N 3.16Å; A177-W180 PolarHBondContact O-N 2.9Å; A177-R181 VanDerWaalsContact O-CB 3.3Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 2.99Å
178	E	96.8	Very high	97.6	Very high	98 Å²	98	69.5 Å²	69.5	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-72.4	-35.2	178	-65.4	176	-168.3	0	0	112.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.43Å; R175-E178 VanDerWaalsContact CZ-CD 3.43Å; R175-E178 IonicContact CZ-OE1 2.7Å; R175-E178 IonicContact CZ-OE2 2.92Å; R175-E178 IonicContact NE-OE1 3.65Å; R175-E178 PolarHBondContact NE-OE1 3.24Å; R175-E178 IonicContact NE-OE2 3.37Å; R175-E178 PolarHBondContact NE-OE2 3.12Å; R175-E178 VanDerWaalsContact NE-OE2 3.1Å; R175-E178 IonicContact NH1-OE2 3.16Å; R175-E178 IonicContact NH2-OE1 2.65Å; R175-E178 PolarHBondContact NH2-OE1 3.38Å; R175-E178 IonicContact NH2-OE2 2.89Å; R175-E178 PolarHBondContact NH2-OE2 2.99Å; R175-E178 WeakPolarHBondContact O-CB 3.38Å; R175-E178 PolarHBondContact O-N 2.89Å; R175-E178 VanDerWaalsContact O-N 3.09Å; E176-E178 PolarHBondContact O-N 3.23Å; E176-E178 VanDerWaalsContact O-N 3.16Å; E178-A182 WeakPolarHBondContact O-CB 3.37Å; E178-A182 PolarHBondContact O-N 2.91Å
179	Q	96.3	Very high	97.5	Very high	126 Å²	126	68 Å²	68	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-67.4	-43.4	174.5	-58.6	-176.4	30.9	0	0	110.3	E176 A182 Y183	E176-Q179 WeakPolarHBondContact O-CB 3.37Å; E176-Q179 PolarHBondContact O-N 3.24Å; Q179-A182 PolarHBondContact O-N 2.68Å; Q179-Y183 PolarHBondContact O-N 3.36Å
180	W	97.6	Very high	97.5	Very high	44 Å²	44	66.7 Å²	66.7	17%	0.167	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-45.6	175.8	-80.9	108.2	0	0	0	112.6	W121 Y123 D138 L150 E176 A177 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.32Å; W121-W180 HydrophobicContact CH2-CH2 3.32Å; W121-W180 AromaticContact CH2-CZ2 3.41Å; W121-W180 HydrophobicContact CH2-CZ2 3.41Å; W121-W180 VanDerWaalsContact CH2-CZ2 3.41Å; W121-W180 AromaticContact CZ2-CH2 3.17Å; W121-W180 HydrophobicContact CZ2-CH2 3.17Å; W121-W180 AromaticContact CZ2-CZ2 3.15Å; W121-W180 HydrophobicContact CZ2-CZ2 3.15Å; W121-W180 HydrophobicContact CZ2-CZ3 4.16Å; Y123-W180 HydrophobicContact CD2-CZ3 4.14Å; Y123-W180 HydrophobicContact CG-CH2 4.37Å; Y123-W180 HydrophobicContact CG-CZ3 4.2Å; D138-W180 HydrophobicContact CB-CD2 4.33Å; D138-W180 HydrophobicContact CB-CE3 4.4Å; D138-W180 VanDerWaalsContact OD2-CD1 3.28Å; D138-W180 VanDerWaalsContact OD2-CD2 3.24Å; D138-W180 PolarHBondContact OD2-NE1 3.15Å; L150-W180 HydrophobicContact CD2-CB 4.06Å; E176-W180 PolarHBondContact O-N 3.49Å; E176-W180 VanDerWaalsContact O-N 3.08Å; A177-W180 PolarHBondContact O-N 2.9Å; W180-A182 VanDerWaalsContact C-N 3.32Å; W180-A182 PolarHBondContact O-N 2.85Å; W180-Y183 AromaticContact CE3-CD1 3.91Å; W180-Y183 HydrophobicContact CE3-CD1 3.91Å; W180-Y183 AromaticContact CZ3-CD1 3.64Å; W180-Y183 HydrophobicContact CZ3-CD1 3.64Å; W180-Y183 HydrophobicContact CZ3-CE1 4.02Å; W180-Y183 HydrophobicContact CZ3-CG 4.37Å; W180-Y183 PolarHBondContact O-N 2.85Å; W180-L184 HydrophobicContact CB-CD1 4.47Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.24Å; W180-L184 PolarHBondContact O-N 2.97Å
181	R	97.1	Very high	97.5	Very high	95 Å²	95	63.6 Å²	63.6	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-55	-48.4	173.2	-175.2	-178.1	-135.9	149.9	20.6	111.7	D153 L154 A177 Y183 L184 E185	D153-R181 PolarHBondContact O-NH2 2.81Å; D153-R181 VanDerWaalsContact O-NH2 3.12Å; L154-R181 HydrophobicContact CB-CB 4.42Å; L154-R181 HydrophobicContact CB-CG 4.29Å; L154-R181 HydrophobicContact CD1-CG 4.17Å; A177-R181 VanDerWaalsContact O-CB 3.3Å; A177-R181 WeakPolarHBondContact O-CB 3.4Å; A177-R181 PolarHBondContact O-N 2.99Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.13Å; R181-L184 PolarHBondContact O-N 3.05Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 VanDerWaalsContact CG-OE1 3.27Å; R181-E185 WeakPolarHBondContact CG-OE1 2.95Å; R181-E185 IonicContact CZ-OE1 3.59Å; R181-E185 IonicContact NE-OE1 3.69Å; R181-E185 PolarHBondContact NE-OE1 3.35Å; R181-E185 IonicContact NE-OE2 3.57Å; R181-E185 WeakPolarHBondContact O-CB 3.29Å; R181-E185 PolarHBondContact O-N 3.01Å
182	A	97.7	Very high	97.5	Very high	64 Å²	64	60.8 Å²	60.8	53%	0.529	31%	0.314	S	S	.	.	H	α-helix	trans	-61.4	-39.7	179.8	0	0	0	0	0	112.6	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.37Å; E178-A182 PolarHBondContact O-N 2.91Å; Q179-A182 PolarHBondContact O-N 2.68Å; W180-A182 VanDerWaalsContact C-N 3.32Å; W180-A182 PolarHBondContact O-N 2.85Å; A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	97.7	Very high	97.5	Very high	49 Å²	49	62.2 Å²	62.2	19%	0.192	32%	0.315	C	S	.	.	I	π-helix	trans	-66	-48.5	173.9	169.8	-99.7	0	0	0	112	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CD2-CE1 3.9Å; Y123-Y183 HydrophobicContact CE2-CE1 4.14Å; Q179-Y183 PolarHBondContact O-N 3.36Å; W180-Y183 AromaticContact CE3-CD1 3.91Å; W180-Y183 HydrophobicContact CE3-CD1 3.91Å; W180-Y183 AromaticContact CZ3-CD1 3.64Å; W180-Y183 HydrophobicContact CZ3-CD1 3.64Å; W180-Y183 HydrophobicContact CZ3-CE1 4.02Å; W180-Y183 HydrophobicContact CZ3-CG 4.37Å; W180-Y183 PolarHBondContact O-N 2.85Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.49Å; Y183-T187 HydrophobicContact CD2-CG2 4.02Å; Y183-T187 HydrophobicContact CE2-CG2 3.9Å; Y183-T187 PolarHBondContact O-N 3.17Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.81Å
184	L	98.2	Very high	97.4	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	I	π-helix	trans	-68.6	-41	-174.1	-69.6	169.6	0	0	0	112.4	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.43Å; L150-L184 HydrophobicContact CD2-CD1 3.85Å; L154-L184 HydrophobicContact CD2-CD1 4.07Å; W180-L184 HydrophobicContact CB-CD1 4.47Å; W180-L184 VanDerWaalsContact O-CB 3.32Å; W180-L184 WeakPolarHBondContact O-CB 3.36Å; W180-L184 WeakPolarHBondContact O-CG 3.24Å; W180-L184 PolarHBondContact O-N 2.97Å; R181-L184 PolarHBondContact O-N 3.05Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å
185	E	97	Very high	97.4	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	28%	0.283	S	S	.	.	I	π-helix	trans	-79.8	-24.9	178.4	-69.1	176.4	-179	0	0	113	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.37Å; L133-E185 HydrophobicContact CD2-CG 3.57Å; L154-E185 HydrophobicContact CD1-CG 4.26Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 VanDerWaalsContact CG-OE1 3.27Å; R181-E185 WeakPolarHBondContact CG-OE1 2.95Å; R181-E185 IonicContact CZ-OE1 3.59Å; R181-E185 IonicContact NE-OE1 3.69Å; R181-E185 PolarHBondContact NE-OE1 3.35Å; R181-E185 IonicContact NE-OE2 3.57Å; R181-E185 WeakPolarHBondContact O-CB 3.29Å; R181-E185 PolarHBondContact O-N 3.01Å
186	G	97.3	Very high	97.4	Very high	22 Å²	22	54.8 Å²	54.8	23%	0.227	26%	0.259	C	S	.	.	I	π-helix	trans	-107.2	-90.6	-178	0	0	0	0	0	112.6	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 3.08Å; A182-G186 VanDerWaalsContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.51Å; Y183-G186 PolarHBondContact O-N 3.49Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.85Å; G186-V189 PolarHBondContact O-N 3.4Å; G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 3.2Å
187	T	97.7	Very high	97.3	Very high	53 Å²	53	58.2 Å²	58.2	33%	0.325	27%	0.274	S	S	.	.	I	π-helix	trans	-55.7	-42.6	-170	-58.2	0	0	0	0	113.1	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 4.02Å; Y183-T187 HydrophobicContact CE2-CG2 3.9Å; Y183-T187 PolarHBondContact O-N 3.17Å; Y183-T187 VanDerWaalsContact O-N 3.09Å; T187-E190 PolarHBondContact O-N 3.07Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.07Å
188	C	98.3	Very high	97.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	I	π-helix	trans	-60.7	-49.7	179.6	-170.7	0	0	0	0	111.5	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 WeakPolarHBondContact CE-O 3.47Å; M29-C188 WeakPolarHBondContact CE-SG 3.5Å; C125-C188 HydrophobicContact CB-CB 3.91Å; C125-C188 WeakPolarHBondContact CB-SG 3.42Å; C125-C188 PolarHBondContact N-SG 2.92Å; C125-C188 WeakPolarHBondContact SG-CB 3.18Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 3.02Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.9Å; Y183-C188 WeakPolarHBondContact O-CB 3.47Å; Y183-C188 PolarHBondContact O-N 2.81Å; G186-C188 VanDerWaalsContact C-N 3.33Å; G186-C188 PolarHBondContact O-N 2.85Å; C188-E190 PolarHBondContact O-N 3.29Å; C188-W191 PolarHBondContact O-N 2.89Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 3.08Å
189	V	98.1	Very high	97.2	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-60.8	-44.8	177.6	175.3	0	0	0	0	111.5	L127 L133 L184 G186 L192 R193	L127-V189 HydrophobicContact CD2-CB 4.13Å; L127-V189 HydrophobicContact CD2-CG1 3.72Å; L127-V189 HydrophobicContact CD2-CG2 3.76Å; L133-V189 HydrophobicContact CB-CG2 4.05Å; L133-V189 HydrophobicContact CD1-CG2 4.14Å; L184-V189 WeakPolarHBondContact O-CG2 3.37Å; G186-V189 PolarHBondContact O-N 3.4Å; V189-L192 PolarHBondContact O-N 2.82Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.86Å
190	E	97.9	Very high	97.1	Very high	126 Å²	126	54.9 Å²	54.9	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-60.6	-46.4	179.5	-72.7	175.5	173.7	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.43Å; G186-E190 PolarHBondContact O-N 3.2Å; T187-E190 PolarHBondContact O-N 3.07Å; C188-E190 PolarHBondContact O-N 3.29Å; E190-R194 PolarHBondContact O-N 3.08Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98	Very high	96.7	Very high	48 Å²	48	61.4 Å²	61.4	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-68.7	-42.1	178.7	-81.8	102.1	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.37Å; Y83-W191 AromaticContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CH2 3.54Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CD2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CE3 4.21Å; Y83-W191 AromaticContact CE2-CH2 3.9Å; Y83-W191 HydrophobicContact CE2-CH2 3.9Å; Y83-W191 AromaticContact CE2-CZ3 3.7Å; Y83-W191 HydrophobicContact CE2-CZ3 3.7Å; T187-W191 VanDerWaalsContact CG2-CD1 3.48Å; T187-W191 PolarHBondContact O-N 3.07Å; C188-W191 PolarHBondContact O-N 2.89Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.26Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 3.29Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.95Å; W191-Y195 HydrophobicContact CZ3-CE1 3.95Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.8Å
192	L	98.1	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-45	176.8	174.9	50.1	0	0	0	111.2	H27 M29 V52 L127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.44Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.97Å; M29-L192 HydrophobicContact CB-CG 4.23Å; M29-L192 HydrophobicContact CE-CB 4.3Å; M29-L192 HydrophobicContact SD-CB 4.48Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.26Å; L127-L192 HydrophobicContact CB-CD2 4.49Å; L127-L192 HydrophobicContact CD1-CB 4.28Å; L127-L192 HydrophobicContact CD1-CD2 3.69Å; L127-L192 HydrophobicContact CD1-CG 3.72Å; L127-L192 HydrophobicContact CD2-CD2 4.49Å; L127-L192 HydrophobicContact CG-CD2 3.56Å; L127-L192 HydrophobicContact CG-CG 4.19Å; C188-L192 WeakPolarHBondContact O-CB 3.35Å; C188-L192 PolarHBondContact O-N 3.08Å; V189-L192 PolarHBondContact O-N 2.82Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.2Å; L192-Y195 PolarHBondContact O-N 2.84Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.25Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.86Å
193	R	96.6	Very high	96.1	Very high	126 Å²	126	56.2 Å²	56.2	48%	0.475	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-43.2	174.4	-72.5	175.6	-178	167.5	-0.5	112.5	L127 G131 V189 W191 L196 E197	L127-R193 HydrophobicContact CD1-CG 3.93Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.92Å; G131-R193 VanDerWaalsContact O-NE 3.07Å; G131-R193 PolarHBondContact O-NH2 2.6Å; V189-R193 WeakPolarHBondContact O-CG 3.38Å; V189-R193 PolarHBondContact O-N 2.86Å; W191-R193 VanDerWaalsContact C-N 3.35Å; W191-R193 PolarHBondContact O-N 3.26Å; R193-L196 PolarHBondContact O-N 3.03Å; R193-E197 PolarHBondContact O-N 3.48Å
194	R	97	Very high	95.6	Very high	121 Å²	121	58.3 Å²	58.3	46%	0.457	27%	0.274	S	S	.	.	H	α-helix	trans	-61.2	-44.1	176.2	179.2	179.7	174.4	106	-5.7	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.84Å; E79-R194 IonicContact OE1-NE 3.58Å; E79-R194 PolarHBondContact OE1-NE 3.09Å; E79-R194 IonicContact OE1-NH2 3.1Å; E79-R194 PolarHBondContact OE1-NH2 3.5Å; E79-R194 IonicContact OE2-CZ 3.03Å; E79-R194 IonicContact OE2-NE 2.74Å; E79-R194 PolarHBondContact OE2-NE 3.34Å; E79-R194 IonicContact OE2-NH2 3.04Å; E79-R194 PolarHBondContact OE2-NH2 3.18Å; E190-R194 PolarHBondContact O-N 3.08Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.36Å; W191-R194 PolarHBondContact O-N 3.29Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 3.2Å; R194-E197 PolarHBondContact O-N 3.17Å; R194-N198 WeakPolarHBondContact O-CB 3.22Å; R194-N198 PolarHBondContact O-N 3.37Å; R194-N198 PolarHBondContact O-OD1 3.37Å
195	Y	97.4	Very high	95.2	Very high	1 Å²	1	62.6 Å²	62.6	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-67.5	-39.2	178.8	-62.8	-30.8	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.75Å; M29-Y195 HydrophobicContact SD-CE2 3.62Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 HydrophobicContact CD2-CE2 4.41Å; F57-Y195 HydrophobicContact CE2-CD2 4.27Å; F57-Y195 AromaticContact CE2-CE2 3.62Å; F57-Y195 HydrophobicContact CE2-CE2 3.62Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.32Å; F57-Y195 AromaticContact CZ-CE2 3.79Å; F57-Y195 HydrophobicContact CZ-CE2 3.79Å; W75-Y195 HydrophobicContact CE3-CD1 4.24Å; W75-Y195 HydrophobicContact CE3-CG 4.48Å; W75-Y195 HydrophobicContact CH2-CG 4.12Å; W75-Y195 AromaticContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD1 3.58Å; W75-Y195 HydrophobicContact CZ3-CD2 4.29Å; W75-Y195 HydrophobicContact CZ3-CE1 4.3Å; W75-Y195 AromaticContact CZ3-CG 3.58Å; W75-Y195 HydrophobicContact CZ3-CG 3.58Å; V76-Y195 HydrophobicContact CG2-CE1 4.27Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.4Å; Y83-Y195 VanDerWaalsContact CZ-OH 3.26Å; Y83-Y195 PolarHBondContact OH-OH 3.07Å; W191-Y195 HydrophobicContact CB-CE2 4.07Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE1 3.56Å; W191-Y195 HydrophobicContact CE3-CE2 4.22Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.95Å; W191-Y195 HydrophobicContact CZ3-CE1 3.95Å; W191-Y195 VanDerWaalsContact O-CD2 3.28Å; W191-Y195 WeakPolarHBondContact O-CD2 3.47Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.8Å; L192-Y195 PolarHBondContact O-N 2.84Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.59Å; Y195-N198 PolarHBondContact O-N 3.35Å; Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 3.06Å; Y195-L203 WeakPolarHBondContact O-CD1 3.49Å
196	L	95.8	Very high	95	Very high	13 Å²	13	59.8 Å²	59.8	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-63	-35.9	174.3	-70.9	169.3	0	0	0	112.5	H27 V52 L127 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 4Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L127-L196 HydrophobicContact CD1-CD1 4.49Å; L192-L196 HydrophobicContact CD1-CD1 3.83Å; L192-L196 HydrophobicContact CD1-CD2 4.39Å; L192-L196 HydrophobicContact CD1-CG 3.84Å; L192-L196 HydrophobicContact CG-CD1 4.03Å; L192-L196 HydrophobicContact CG-CG 4.49Å; L192-L196 WeakPolarHBondContact O-CB 3.25Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 2.86Å; R193-L196 PolarHBondContact O-N 3.03Å; L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.49Å; L196-K200 PolarHBondContact O-N 2.87Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; L196-Q204 PolarHBondContact O-NE2 3.23Å
197	E	95.6	Very high	94.8	Very high	125 Å²	125	61.6 Å²	61.6	58%	0.584	29%	0.286	S	S	*	.	H	α-helix	trans	-71.9	-47.5	174.5	-172.5	60.2	-153.4	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.48Å; R194-E197 PolarHBondContact O-N 3.17Å; Y195-E197 VanDerWaalsContact C-N 3.3Å; Y195-E197 PolarHBondContact O-N 2.59Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.81Å; E197-K200 WeakPolarHBondContact O-CB 3.19Å; E197-K200 PolarHBondContact O-N 3.17Å
198	N	96.6	Very high	94.7	Very high	49 Å²	49	64.8 Å²	64.8	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-40.5	178.9	-70.5	-4.6	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.4Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.23Å; Q78-N198 PolarHBondContact NE2-OD1 3.43Å; Q78-N198 VanDerWaalsContact NE2-OD1 3.16Å; E79-N198 PolarHBondContact OE1-ND2 2.66Å; R194-N198 WeakPolarHBondContact O-CB 3.22Å; R194-N198 PolarHBondContact O-N 3.37Å; R194-N198 PolarHBondContact O-OD1 3.37Å; Y195-N198 PolarHBondContact O-N 3.35Å
199	G	95.4	Very high	94.7	Very high	3 Å²	3	65.2 Å²	65.2	3%	0.031	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	20.2	-175.7	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.35Å; Y195-G199 PolarHBondContact O-N 3.06Å; E197-G199 VanDerWaalsContact C-N 3.32Å; E197-G199 PolarHBondContact O-N 2.81Å; G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.17Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 PolarHBondContact O-N 3.24Å; G199-T202 PolarHBondContact O-OG1 2.74Å; G199-L203 WeakPolarHBondContact O-CB 3.17Å; G199-L203 PolarHBondContact O-N 3.25Å
200	K	93.2	Very high	94.7	Very high	111 Å²	111	72.2 Å²	72.2	48%	0.483	33%	0.33	S	S	.	.	H	α-helix	trans	-49.8	-44.5	-171.9	-177.4	172.4	-174.7	173.1	0	113.8	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.25Å; L196-K200 WeakPolarHBondContact O-CB 3.49Å; L196-K200 PolarHBondContact O-N 2.87Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.19Å; E197-K200 PolarHBondContact O-N 3.17Å; K200-T202 PolarHBondContact O-N 3.1Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 3.26Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201	E	90.3	Very high	94.7	Very high	180 Å²	180	67.9 Å²	67.9	84%	0.841	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-27.2	179.9	-62.6	-175.4	167.9	0	0	113.2	G199 R205	G199-E201 VanDerWaalsContact C-N 3.28Å; G199-E201 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact O-N 3.17Å; E201-R205 WeakPolarHBondContact O-CD 3.35Å
202	T	90.3	Very high	94.7	Very high	46 Å²	46	69.5 Å²	69.5	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-103.7	-33.1	-176.2	50.7	0	0	0	0	114.5	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; G199-T202 CarbonylContact O-C 3.55Å; G199-T202 PolarHBondContact O-N 3.24Å; G199-T202 PolarHBondContact O-OG1 2.74Å; K200-T202 PolarHBondContact O-N 3.1Å; T202-R205 WeakPolarHBondContact O-CG 3.13Å; T202-R205 PolarHBondContact O-NE 2.87Å; T202-R205 VanDerWaalsContact O-NE 3.09Å
203	L	91.3	Very high	94.7	Very high	4 Å²	4	70.6 Å²	70.6	2%	0.021	33%	0.328	C	S	.	.	H	α-helix	trans	-95.3	-31.3	-173	-64.7	172.5	0	0	0	112.2	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.18Å; V52-L203 HydrophobicContact CG1-CD1 3.86Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; T55-L203 HydrophobicContact CG2-CD2 4.11Å; W75-L203 HydrophobicContact CD2-CD1 4.45Å; W75-L203 HydrophobicContact CH2-CD1 4.4Å; W75-L203 HydrophobicContact CZ2-CD1 3.84Å; W75-L203 HydrophobicContact CZ2-CD2 4.16Å; W75-L203 HydrophobicContact CZ2-CG 4.41Å; Y195-L203 WeakPolarHBondContact O-CD1 3.49Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.31Å; G199-L203 WeakPolarHBondContact O-CB 3.17Å; G199-L203 PolarHBondContact O-N 3.25Å; L203-R205 VanDerWaalsContact C-N 3.34Å
204	Q	88.6	Confident	94.7	Very high	94 Å²	94	66.1 Å²	66.1	44%	0.439	32%	0.315	S	S	.	.	S	Bend	trans	-100.4	21.8	178.5	-56.8	178.3	31.1	0	0	111.9	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.23Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 3.26Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205	R	89.2	Confident	94.6	Very high	89 Å²	89	62.9 Å²	62.9	34%	0.336	31%	0.305	S	S	.	.			trans	-96.3	147.9	171.1	74	-172.9	170.2	152.3	11.5	109.2	E201 T202 L203 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.35Å; T202-R205 WeakPolarHBondContact O-CG 3.13Å; T202-R205 PolarHBondContact O-NE 2.87Å; T202-R205 VanDerWaalsContact O-NE 3.09Å; L203-R205 VanDerWaalsContact C-N 3.34Å; R205-E207 IonicContact CZ-OE1 3.1Å; R205-E207 IonicContact NE-OE1 3.68Å; R205-E207 IonicContact NH1-OE1 3.71Å; R205-E207 PolarHBondContact NH1-OE1 3.47Å; R205-E207 IonicContact NH2-OE1 2.74Å; R205-E207 PolarHBondContact NH2-OE1 2.53Å; R205-Y233 HydrophobicContact CG-CD1 4.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å
206	A	92.1	Very high	94.5	Very high	38 Å²	38	66.7 Å²	66.7	31%	0.314	32%	0.322	S	S	.	.			trans	-120.6	117.6	166.4	0	0	0	0	0	108.7	Y233 E288	A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.44Å; A206-E288 HydrophobicContact CB-CG 4.44Å
207	E	94.3	Very high	94.4	Very high	60 Å²	60	70.9 Å²	70.9	28%	0.28	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-93.4	118.9	175.5	-66.7	-169.6	-155.1	0	0	108.9	R205 F232 Y233 T264 H287	R205-E207 IonicContact CZ-OE1 3.1Å; R205-E207 IonicContact NE-OE1 3.68Å; R205-E207 IonicContact NH1-OE1 3.71Å; R205-E207 PolarHBondContact NH1-OE1 3.47Å; R205-E207 IonicContact NH2-OE1 2.74Å; R205-E207 PolarHBondContact NH2-OE1 2.53Å; E207-F232 VanDerWaalsContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CA 3.23Å; E207-F232 WeakPolarHBondContact O-CB 3.17Å; E207-Y233 PolarHBondContact N-O 3.19Å; E207-Y233 PolarHBondContact O-N 3.32Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; E207-T264 WeakPolarHBondContact OE2-CG2 3.43Å; E207-H287 PolarHBondContact O-CE1 2.91Å
208	H	95.3	Very high	94.3	Very high	120 Å²	120	69.4 Å²	69.4	56%	0.556	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-70.4	142.7	-177.5	-4.7	-87.7	0	0	0	111.7	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.93Å; H208-G289 PolarHBondContact ND1-O 3.43Å; H208-L290 HydrophobicContact CB-CD2 3.98Å
209	P	97.7	Very high	94.1	Very high	8 Å²	8	69.6 Å²	69.6	5%	0.052	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-67.3	131.1	179.4	28.1	-35	0	0	0	111.6	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 2.81Å; P209-A229 HydrophobicContact CB-CB 3.91Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.15Å; P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; P209-V285 HydrophobicContact CG-CG1 3.97Å; P209-H287 HydrophobicContact CG-CB 4.14Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.22Å
210	K	97.9	Very high	93.8	Very high	155 Å²	155	76.6 Å²	76.6	67%	0.674	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.6	164.4	-64.5	171.5	-172.3	164.8	0	107.8	H208 L230	H208-K210 PolarHBondContact O-N 2.93Å; K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 3.17Å
211	T	97.9	Very high	93.8	Very high	35 Å²	35	78.1 Å²	78.1	22%	0.215	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.4	-171.7	58	0	0	0	0	112.6	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.11Å; P209-T211 PolarHBondContact O-N 2.81Å; T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.06Å; T211-A229 HydrophobicContact CG2-CB 4.22Å; T211-V285 HydrophobicContact CG2-CB 4.47Å; T211-V285 HydrophobicContact CG2-CG1 4.17Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; T211-L294 HydrophobicContact CG2-CD1 4.44Å; T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.34Å
212	H	97.2	Very high	94	Very high	81 Å²	81	74 Å²	74	38%	0.375	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	159.1	173.3	62.2	-75.1	0	0	0	110.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.75Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.43Å
213	V	98.2	Very high	94.3	Very high	23 Å²	23	71.9 Å²	71.9	14%	0.139	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.7	176	-179	0	0	0	0	109.5	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; V213-R226 CarbonylContact C-O 3.51Å; V213-R226 WeakPolarHBondContact CA-O 3.29Å; V213-C227 HydrophobicContact CG2-CB 4.44Å; V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å
214	T	96.9	Very high	94.6	Very high	32 Å²	32	72.7 Å²	72.7	20%	0.196	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.9	174.1	51.1	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.93Å; T214-L225 WeakPolarHBondContact O-CA 3.32Å; T214-R226 PolarHBondContact N-O 2.91Å; T214-R226 PolarHBondContact O-N 3.36Å; T214-R226 WeakPolarHBondContact OG1-CB 3.21Å; T214-R226 PolarHBondContact OG1-O 2.74Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å
215	H	96.2	Very high	95	Very high	53 Å²	53	68.2 Å²	68.2	25%	0.245	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.5	-179.9	169.1	-93.4	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; H215-E278 IonicContact NE2-OE1 3.55Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.97Å
216	H	95.3	Very high	95.5	Very high	81 Å²	81	66.5 Å²	66.5	38%	0.375	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	103.9	-178.6	-58.8	-69.3	0	0	0	109.5	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.93Å; H216-V218 PolarHBondContact O-N 3.43Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; H216-T224 PolarHBondContact N-O 2.79Å; H216-T224 PolarHBondContact O-N 2.73Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 3Å
217	P	93.9	Very high	95.8	Very high	101 Å²	101	64.7 Å²	64.7	66%	0.656	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	131.3	173.2	-20	30.3	0	0	0	110.7
218	V	91.9	Very high	96	Very high	95 Å²	95	64.1 Å²	64.1	58%	0.576	33%	0.326	S	S	*	.			trans	-105.1	-41.6	176.4	-179.2	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 3.43Å; V218-E222 PolarHBondContact N-O 3.36Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.04Å
219	S	92.2	Very high	96.1	Very high	52 Å²	52	58.4 Å²	58.4	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-147.4	-178.5	175.2	72.5	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.34Å; S219-H221 PolarHBondContact OG-N 3.49Å; S219-E222 PolarHBondContact N-O 3.03Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.76Å
220	D	89.5	Confident	96.2	Very high	151 Å²	151	60.6 Å²	60.6	81%	0.807	31%	0.311	S	S	*	.	S	Bend	trans	-66.1	-10.5	172.6	-65.8	-22.3	0	0	0	113.2
221	H	93.2	Very high	96.1	Very high	142 Å²	142	54 Å²	54	66%	0.657	29%	0.287	S	S	*	.	S	Bend	trans	-116	-15.9	-175.4	-56.3	-44.5	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.34Å; S219-H221 PolarHBondContact OG-N 3.49Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.4Å; H221-S275 PolarHBondContact O-N 3.09Å; H221-S275 PolarHBondContact O-OG 3.46Å
222	E	95.3	Very high	96.1	Very high	94 Å²	94	52.4 Å²	52.4	44%	0.439	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.7	-170.9	-66.3	179.2	166.3	0	0	112.1	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.36Å; S219-E222 PolarHBondContact N-O 3.03Å; S219-E222 VanDerWaalsContact O-O 3.1Å; S219-E222 PolarHBondContact OG-N 2.76Å; E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å; E222-V273 WeakPolarHBondContact CA-O 3.36Å; E222-S275 PolarHBondContact N-OG 3.19Å
223	A	96.1	Very high	96	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	156.2	171.4	0	0	0	0	0	110.6	H215 H216 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.44Å; H216-A223 CarbonylContact O-C 3.5Å; H216-A223 WeakPolarHBondContact O-CA 3.4Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.98Å; A223-V273 WeakPolarHBondContact O-CG2 3.17Å; A223-V273 PolarHBondContact O-N 2.94Å
224	T	97.6	Very high	95.9	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	123.8	170	-55.3	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 2.79Å; H216-T224 PolarHBondContact O-N 2.73Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.04Å; T224-A270 HydrophobicContact CG2-CB 3.93Å; T224-V271 WeakPolarHBondContact CA-O 3.34Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128	164.6	-63.3	-177	0	0	0	108.9	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.35Å; V213-L225 HydrophobicContact CG1-CD2 4.38Å; T214-L225 WeakPolarHBondContact O-CA 3.32Å; H215-L225 HydrophobicContact CB-CD2 3.98Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 2.94Å; L225-V271 PolarHBondContact O-N 3.39Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; L225-V273 HydrophobicContact CG-CG2 3.84Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.97Å
226	R	98.3	Very high	95.8	Very high	52 Å²	52	52 Å²	52	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.7	176.1	-179.9	-177.2	-62.2	114.4	-0.2	110.5	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.51Å; V213-R226 WeakPolarHBondContact CA-O 3.29Å; T214-R226 PolarHBondContact N-O 2.91Å; T214-R226 PolarHBondContact O-N 3.36Å; T214-R226 WeakPolarHBondContact OG1-CB 3.21Å; T214-R226 PolarHBondContact OG1-O 2.74Å; T214-R226 VanDerWaalsContact OG1-O 3.09Å; H216-R226 PolarHBondContact CD2-NH1 3.43Å; H216-R226 VanDerWaalsContact CD2-NH1 3.29Å; H216-R226 PolarHBondContact NE2-NH1 3Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; R226-A269 WeakPolarHBondContact CA-O 3.36Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å
227	C	98.4	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.7	175.3	-173.9	0	0	0	0	109.5	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.44Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; C227-A269 PolarHBondContact N-O 3.12Å; C227-A269 PolarHBondContact O-N 3.11Å; C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.35Å; C227-C283 WeakPolarHBondContact SG-CB 3.28Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å
228	W	98.5	Very high	96	Very high	48 Å²	48	46.7 Å²	46.7	18%	0.182	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	142.2	179.7	-69.8	89.8	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.43Å; T211-W228 WeakPolarHBondContact CB-O 3.06Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.36Å; H212-W228 AromaticContact CE1-CD1 3.97Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 2.75Å; H212-W228 AromaticContact NE2-CD1 3.53Å; H212-W228 AromaticContact NE2-CG 3.75Å; H212-W228 PolarHBondContact O-N 3.43Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.15Å; R226-W228 HydrophobicContact CG-CZ2 4.41Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å
229	A	98.5	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.9	162.4	0	0	0	0	0	107.9	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.91Å; T211-A229 HydrophobicContact CG2-CB 4.22Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; A229-Q266 CarbonylContact O-C 3.58Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; A229-K267 PolarHBondContact N-O 3.37Å; A229-K267 PolarHBondContact O-N 2.04Å; A229-K267 VanDerWaalsContact O-O 3.08Å
230	L	98.3	Very high	96.6	Very high	54 Å²	54	41.7 Å²	41.7	28%	0.283	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.6	-174.6	-58	176.8	0	0	0	110.9	K210 W228 F232 Q266	K210-L230 PolarHBondContact N-O 3.05Å; K210-L230 PolarHBondContact O-N 3.17Å; W228-L230 HydrophobicContact CE3-CD2 3.89Å; W228-L230 HydrophobicContact CZ3-CD2 4.44Å; L230-F232 PolarHBondContact O-N 3.02Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231	G	97.4	Very high	97	Very high	18 Å²	18	34.6 Å²	34.6	19%	0.186	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67.4	37.2	168.4	0	0	0	0	0	113.5	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; G231-F265 PolarHBondContact N-O 2.79Å
232	F	97.2	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	156	178.7	60	-89.8	0	0	0	112.1	E207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287	E207-F232 VanDerWaalsContact O-CA 3.22Å; E207-F232 WeakPolarHBondContact O-CA 3.23Å; E207-F232 WeakPolarHBondContact O-CB 3.17Å; P209-F232 HydrophobicContact CB-CB 3.84Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.15Å; A229-F232 HydrophobicContact CB-CD1 4.07Å; A229-F232 HydrophobicContact CB-CE1 3.83Å; A229-F232 WeakPolarHBondContact O-CE1 3.4Å; L230-F232 PolarHBondContact O-N 3.02Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.52Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-I237 VanDerWaalsContact CZ-CG2 3.5Å; F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.44Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 3.44Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.7Å; F232-H287 AromaticContact CD2-NE2 3.61Å
233	Y	95.6	Very high	97.3	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.012	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-151.3	136.5	173.6	179.3	-84.6	0	0	0	108.3	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.01Å; T55-Y233 PolarHBondContact OG1-OH 2.67Å; R205-Y233 HydrophobicContact CG-CD1 4.31Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å; A206-Y233 CarbonylContact C-O 3.54Å; A206-Y233 VanDerWaalsContact CA-O 3.31Å; A206-Y233 WeakPolarHBondContact CA-O 3.44Å; E207-Y233 PolarHBondContact N-O 3.19Å; E207-Y233 PolarHBondContact O-N 3.32Å; E207-Y233 VanDerWaalsContact O-N 3.14Å; Y233-G263 WeakPolarHBondContact CD2-O 3.5Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; Y233-H287 PolarHBondContact O-CE1 3.35Å
234	P	95	Very high	97.3	Very high	17 Å²	17	33.2 Å²	33.2	11%	0.11	17%	0.17	C	C	.	.	S	Bend	cis	-71.1	-176.9	2.7	30.1	-36.3	0	0	0	114.2	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.26Å; D54-P234 WeakPolarHBondContact OD2-CB 3.19Å; F232-P234 VanDerWaalsContact CD2-O 3.3Å; F232-P234 WeakPolarHBondContact CD2-O 3.36Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.01Å; P234-H287 PolarHBondContact O-NE2 3.2Å; P234-H287 VanDerWaalsContact O-NE2 3.11Å
235	A	96.4	Very high	97	Very high	16 Å²	16	34.6 Å²	34.6	13%	0.132	19%	0.189	C	C	.	.	S	Bend	trans	-72.6	-23.4	-177	0	0	0	0	0	113.5	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 WeakPolarHBondContact OD2-CB 3.45Å; D54-A235 PolarHBondContact OD2-N 2.93Å; A235-I237 PolarHBondContact O-N 3.36Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.4	Very high	96.9	Very high	145 Å²	145	41.6 Å²	41.6	68%	0.678	22%	0.221	S	C	*	.			trans	-67.5	114.2	-178.5	-172	59.1	-149.2	0	0	110.6	P234 H287	P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.01Å; E236-H287 PolarHBondContact O-CD2 3.24Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å
237	I	96.5	Very high	96.8	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.062	24%	0.237	C	C	.	.			trans	-149.4	140.3	-178.4	-167.6	165.8	0	0	0	110.1	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.04Å; P209-I237 HydrophobicContact CG-CD1 4.14Å; A229-I237 HydrophobicContact CB-CD1 3.69Å; F232-I237 HydrophobicContact CD1-CD1 3.91Å; F232-I237 HydrophobicContact CD2-CB 4.26Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CD2-CG2 4.49Å; F232-I237 HydrophobicContact CE1-CD1 3.82Å; F232-I237 HydrophobicContact CE1-CG2 4.42Å; F232-I237 HydrophobicContact CE2-CB 3.73Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.52Å; F232-I237 HydrophobicContact CG-CD1 3.99Å; F232-I237 HydrophobicContact CZ-CB 4.12Å; F232-I237 HydrophobicContact CZ-CD1 3.86Å; F232-I237 HydrophobicContact CZ-CG2 3.5Å; F232-I237 VanDerWaalsContact CZ-CG2 3.5Å; A235-I237 PolarHBondContact O-N 3.36Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.57Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; I237-H287 HydrophobicContact CD1-CB 4.12Å; I237-H287 HydrophobicContact CG1-CB 3.98Å
238	T	97.4	Very high	96.6	Very high	58 Å²	58	45.1 Å²	45.1	36%	0.356	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	122.7	173.8	-61.1	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; T238-Q286 PolarHBondContact N-O 3.32Å; T238-Q286 PolarHBondContact O-N 2.97Å
239	L	97.9	Very high	96.2	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.037	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.7	171.7	-87.7	62.4	0	0	0	108.6	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.02Å; A229-L239 HydrophobicContact CB-CD2 4.19Å; I237-L239 HydrophobicContact CB-CD1 4.49Å; I237-L239 HydrophobicContact CD1-CD1 3.68Å; I237-L239 HydrophobicContact CG1-CD1 3.57Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; L239-H284 WeakPolarHBondContact CA-O 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.33Å
240	T	97.7	Very high	95.8	Very high	36 Å²	36	56.9 Å²	56.9	22%	0.221	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.4	176	57.9	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 3.98Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.43Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.87Å
241	W	98.3	Very high	95.4	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	136.4	169.4	-83.1	103.4	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.87Å; V213-W241 HydrophobicContact CG1-CZ2 4.31Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.47Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.19Å; C227-W241 HydrophobicContact CB-CZ2 3.63Å; W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.69Å; W241-A269 PolarHBondContact NE1-O 3.04Å; W241-V271 HydrophobicContact CB-CG1 3.66Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.29Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.82Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.46Å; W241-T282 WeakPolarHBondContact CA-O 3.44Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å
242	Q	97.9	Very high	95.3	Very high	41 Å²	41	60 Å²	60	19%	0.192	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	145.6	171.9	-70.4	-173.7	-5.4	0	0	110.3	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.42Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 2.84Å; Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.21Å; Q242-T282 PolarHBondContact N-O 3.27Å; Q242-T282 PolarHBondContact O-N 2.88Å; Q242-H284 PolarHBondContact OE1-NE2 3.12Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å
243	R	97.4	Very high	95.3	Very high	65 Å²	65	65.6 Å²	65.6	25%	0.245	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.1	169.7	-178.8	-171.5	176.3	155.1	4.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 2.62Å; R243-E246 PolarHBondContact N-O 3.31Å; R243-E246 PolarHBondContact O-N 2.96Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-E277 IonicContact CZ-OE2 3.42Å; R243-E277 IonicContact NH1-OE2 3.63Å; R243-E277 IonicContact NH2-OE1 2.65Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3Å; R243-R280 WeakPolarHBondContact CA-O 3.36Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.83Å; R243-Y281 WeakPolarHBondContact CD-OH 3.33Å; R243-Y281 HydrophobicContact CG-CD1 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 2.83Å
244	D	95.5	Very high	95.4	Very high	102 Å²	102	69.7 Å²	69.7	55%	0.545	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	29	-175.6	-53.6	-52.7	0	0	0	114.1	R280	D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 2.66Å; D244-R280 PolarHBondContact OD1-NE 3.47Å; D244-R280 IonicContact OD2-CZ 2.85Å; D244-R280 IonicContact OD2-NE 3.4Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 3.99Å; D244-R280 PolarHBondContact OD2-NH2 3.3Å
245	G	91.9	Very high	95.5	Very high	51 Å²	51	70.6 Å²	70.6	53%	0.526	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.7	-0.8	-177.4	0	0	0	0	0	115.7	R243	R243-G245 PolarHBondContact O-N 2.62Å
246	E	95.8	Very high	95.5	Very high	146 Å²	146	78 Å²	78	68%	0.682	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.4	176.5	-62.8	-173.6	168.8	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.42Å; Q242-E246 VanDerWaalsContact CA-O 3.26Å; Q242-E246 WeakPolarHBondContact CA-O 3.4Å; R243-E246 PolarHBondContact N-O 3.31Å; R243-E246 PolarHBondContact O-N 2.96Å; E246-Q248 PolarHBondContact O-NE2 2.78Å
247	D	95.5	Very high	95.6	Very high	98 Å²	98	73.3 Å²	73.3	52%	0.524	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	135.2	-179.3	-69.4	-23.3	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 2.84Å
248	Q	95.4	Very high	95.7	Very high	28 Å²	28	77.5 Å²	77.5	13%	0.131	40%	0.402	C	S	.	.			trans	-105.8	35	-177.1	-58.2	-59.8	-67.2	0	0	112.6	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.27Å; W241-Q248 PolarHBondContact O-N 2.69Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 2.78Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.85Å; Q248-D251 PolarHBondContact O-N 2.78Å; Q248-D251 VanDerWaalsContact O-N 3.15Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 2.67Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; Q248-V271 HydrophobicContact CB-CG1 4.42Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249	T	90.1	Very high	95.7	Very high	104 Å²	104	79.1 Å²	79.1	64%	0.638	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-35.6	-168.8	-50.9	0	0	0	0	114.3
250	Q	90.2	Very high	95.6	Very high	191 Å²	191	81.2 Å²	81.2	89%	0.893	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-30.6	-179	-66.5	-173.9	5.4	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.85Å
251	D	88.5	Confident	95.4	Very high	117 Å²	117	83.1 Å²	83.1	63%	0.626	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	0.9	-178.2	-57.6	-54.8	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 2.78Å; Q248-D251 VanDerWaalsContact O-N 3.15Å
252	T	95.6	Very high	95.1	Very high	22 Å²	22	88.4 Å²	88.4	14%	0.135	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.9	179.7	-61.8	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 2.67Å; Q248-T252 PolarHBondContact O-OG1 3.06Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.35Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.11Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.04Å
253	E	97.1	Very high	94.8	Very high	117 Å²	117	88.5 Å²	88.5	55%	0.547	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	106.1	163.1	-174	-174.4	-171.7	0	0	108.8	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.71Å; E253-A270 PolarHBondContact O-N 2.95Å
254	L	97.1	Very high	94.8	Very high	89 Å²	89	85.8 Å²	85.8	47%	0.466	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.5	178	-173.8	68.3	0	0	0	109.9	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.43Å; T252-L254 PolarHBondContact O-N 3.35Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	97.1	Very high	94.9	Very high	35 Å²	35	82.1 Å²	82.1	21%	0.212	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-84.5	153.2	174.5	-64.8	0	0	0	0	112.2	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.2Å
256	E	97.1	Very high	95.2	Very high	173 Å²	173	81.8 Å²	81.8	81%	0.808	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.8	167.3	-68.1	-176.4	173.6	0	0	111.1	R258	E256-R258 PolarHBondContact O-N 3.06Å
257	T	98	Very high	95.3	Very high	45 Å²	45	75.9 Å²	75.9	28%	0.276	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-67.6	130.3	174.4	-56.3	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.9Å; A235-T257 HydrophobicContact CB-CG2 4.34Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
258	R	97.6	Very high	95.5	Very high	100 Å²	100	72.4 Å²	72.4	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	144.9	-174.8	68.4	-168.5	-179.5	-177.9	4.3	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.06Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.82Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.88Å
259	P	97.3	Very high	95.6	Very high	93 Å²	93	71 Å²	71	60%	0.604	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	144.6	178.3	28.5	-34.6	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.3Å
260	A	96.6	Very high	96	Very high	50 Å²	50	66.2 Å²	66.2	41%	0.413	37%	0.37	S	S	.	.			trans	-87.2	-19	172.6	0	0	0	0	0	112.7	D262 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 PolarHBondContact N-O 3.35Å
261	G	93.3	Very high	96.4	Very high	77 Å²	77	57.2 Å²	57.2	79%	0.794	33%	0.328	S	S	*	.	S	Bend	trans	97.1	-6.4	178.6	0	0	0	0	0	114.9
262	D	92.6	Very high	96.8	Very high	113 Å²	113	55.6 Å²	55.6	60%	0.604	32%	0.322	S	S	*	.	S	Bend	trans	-104.6	12.2	175.8	60.5	0.6	0	0	0	113	A260 T264	A260-D262 WeakPolarHBondContact CB-OD1 3.37Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
263	G	91.7	Very high	96.8	Very high	43 Å²	43	54.6 Å²	54.6	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	90	-2	-173.8	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.5Å
264	T	96.4	Very high	96.8	Very high	7 Å²	7	51.3 Å²	51.3	4%	0.043	31%	0.305	C	S	.	.			trans	-104.4	172.4	174.4	73.9	0	0	0	0	112.4	E207 G231 F232 A260 D262	E207-T264 WeakPolarHBondContact OE2-CG2 3.43Å; G231-T264 WeakPolarHBondContact CA-OG1 3.43Å; F232-T264 CarbonylContact O-C 3.51Å; F232-T264 WeakPolarHBondContact O-CA 3.44Å; A260-T264 WeakPolarHBondContact CB-O 3.43Å; A260-T264 PolarHBondContact N-O 3.35Å; D262-T264 WeakPolarHBondContact OD1-CB 3.4Å; D262-T264 PolarHBondContact OD1-N 3.01Å; D262-T264 PolarHBondContact OD1-OG1 2.81Å
265	F	98.1	Very high	96.6	Very high	26 Å²	26	49.8 Å²	49.8	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	163.4	-177.8	-63.9	-86.3	0	0	0	112.4	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.76Å; D54-F265 HydrophobicContact CB-CZ 3.7Å; G231-F265 PolarHBondContact N-O 2.79Å; F232-F265 WeakPolarHBondContact CD1-O 3.5Å; F232-F265 HydrophobicContact CD2-CB 3.97Å; F232-F265 HydrophobicContact CE1-CB 4.26Å; F232-F265 WeakPolarHBondContact CE1-O 3.46Å; F232-F265 HydrophobicContact CE2-CB 3.49Å; F232-F265 VanDerWaalsContact CE2-CB 3.49Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CZ-CB 3.64Å; F232-F265 PolarHBondContact N-O 2.89Å; F232-F265 PolarHBondContact O-N 3.44Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.01Å; Y233-F265 HydrophobicContact CE2-CE2 4.46Å; A235-F265 HydrophobicContact CB-CD1 3.76Å; A235-F265 HydrophobicContact CB-CD2 3.73Å; A235-F265 HydrophobicContact CB-CE1 3.71Å; A235-F265 HydrophobicContact CB-CE2 3.7Å; A235-F265 HydrophobicContact CB-CG 3.79Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.77Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.49Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266	Q	98.3	Very high	96.3	Very high	44 Å²	44	51.4 Å²	51.4	21%	0.206	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	145.9	174.3	43.7	167.7	-23.2	0	0	110.1	A229 L230 R258	A229-Q266 CarbonylContact O-C 3.58Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.49Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 2.82Å; R258-Q266 WeakPolarHBondContact O-CG 3.48Å; R258-Q266 PolarHBondContact O-N 2.88Å
267	K	98.6	Very high	96.3	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.096	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155	177.3	-162.8	-176.2	-171.9	70	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.37Å; A229-K267 PolarHBondContact O-N 2.04Å; A229-K267 VanDerWaalsContact O-O 3.08Å; F232-K267 HydrophobicContact CE1-CB 4.4Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.59Å; L239-K267 HydrophobicContact CD1-CD 4.3Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.47Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.32Å; V255-K267 WeakPolarHBondContact O-CE 3.49Å; V255-K267 WeakPolarHBondContact O-CG 3.4Å; V255-K267 PolarHBondContact O-NZ 3Å; T257-K267 WeakPolarHBondContact OG1-CD 3.43Å; T257-K267 PolarHBondContact OG1-NZ 2.86Å
268	W	98.4	Very high	96.1	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.091	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	156.8	169.1	59.3	-98.5	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4Å; R226-W268 HydrophobicContact CG-CD2 4.11Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.21Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.29Å; C227-W268 WeakPolarHBondContact O-CB 3.41Å; W228-W268 HydrophobicContact CD2-CB 3.95Å; W228-W268 HydrophobicContact CD2-CG 4.44Å; W228-W268 HydrophobicContact CE3-CB 3.86Å; W228-W268 AromaticContact CE3-CD1 3.85Å; W228-W268 HydrophobicContact CE3-CG 4.16Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.62Å; W228-W268 HydrophobicContact CH2-CG 4.25Å; W228-W268 HydrophobicContact CZ3-CB 4.28Å; W228-W268 AromaticContact CZ3-CD1 3.37Å; W228-W268 HydrophobicContact CZ3-CG 4.07Å; E253-W268 HydrophobicContact CB-CZ3 4.24Å; E253-W268 HydrophobicContact CG-CH2 3.91Å; E253-W268 HydrophobicContact CG-CZ3 3.85Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.41Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.27Å; V255-W268 HydrophobicContact CG1-CH2 3.56Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.08Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.47Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.2Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
269	A	98.4	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	174.3	0	0	0	0	0	108.6	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.36Å; C227-A269 PolarHBondContact N-O 3.12Å; C227-A269 PolarHBondContact O-N 3.11Å; L239-A269 HydrophobicContact CB-CB 4.04Å; L239-A269 HydrophobicContact CD2-CB 4.29Å; W241-A269 PolarHBondContact NE1-O 3.04Å; T252-A269 HydrophobicContact CG2-CB 3.92Å; E253-A269 CarbonylContact O-C 3.54Å; E253-A269 WeakPolarHBondContact O-CA 3.48Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	98.1	Very high	96	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	145	-179.6	0	0	0	0	0	112.4	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.93Å; L225-A270 CarbonylContact O-C 3.59Å; L225-A270 WeakPolarHBondContact O-CA 3.38Å; R226-A270 HydrophobicContact CB-CB 4Å; R226-A270 HydrophobicContact CG-CB 4.15Å; T252-A270 CarbonylContact C-O 3.59Å; T252-A270 WeakPolarHBondContact CA-O 3.11Å; E253-A270 HydrophobicContact CB-CB 4.43Å; E253-A270 PolarHBondContact N-O 2.71Å; E253-A270 PolarHBondContact O-N 2.95Å; W268-A270 HydrophobicContact CE3-CB 3.96Å; W268-A270 HydrophobicContact CZ3-CB 3.66Å
271	V	97.9	Very high	96	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.2	174.7	-72.8	0	0	0	0	109.6	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.34Å; L225-V271 HydrophobicContact CB-CG2 4.18Å; L225-V271 PolarHBondContact N-O 2.94Å; L225-V271 PolarHBondContact O-N 3.39Å; W241-V271 HydrophobicContact CB-CG1 3.66Å; W241-V271 HydrophobicContact CB-CG2 4.44Å; W241-V271 HydrophobicContact CD2-CG1 4.29Å; W241-V271 HydrophobicContact CD2-CG2 3.6Å; W241-V271 HydrophobicContact CE3-CG2 3.98Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.82Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.46Å; Q248-V271 HydrophobicContact CB-CG1 4.42Å; T252-V271 HydrophobicContact CG2-CG1 4.34Å; T252-V271 VanDerWaalsContact OG1-CG1 3.24Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.04Å; V271-V273 HydrophobicContact CB-CG1 4.4Å; V271-V273 HydrophobicContact CG2-CG1 3.79Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å
272	V	97.4	Very high	96.3	Very high	82 Å²	82	38.7 Å²	38.7	50%	0.497	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.1	169	-178.5	0	0	0	0	107.9	E222	E222-V272 HydrophobicContact CB-CG1 4.12Å; E222-V272 HydrophobicContact CG-CG1 4.35Å
273	V	96.7	Very high	96.5	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144	-175.5	-52.9	0	0	0	0	110.4	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.36Å; A223-V273 HydrophobicContact CB-CG2 4.46Å; A223-V273 PolarHBondContact N-O 2.98Å; A223-V273 WeakPolarHBondContact O-CG2 3.17Å; A223-V273 PolarHBondContact O-N 2.94Å; L225-V273 HydrophobicContact CD1-CG1 4.03Å; L225-V273 HydrophobicContact CD1-CG2 4.06Å; L225-V273 HydrophobicContact CG-CG1 4.18Å; 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 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å
274	P	96.4	Very high	96.8	Very high	49 Å²	49	32.8 Å²	32.8	32%	0.318	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	140.8	171	-21.9	34.4	0	0	0	111.4	H221 G276 E277	H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.4Å; P274-G276 PolarHBondContact O-N 3.31Å; P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.46Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.45Å
275	S	92.8	Very high	96.9	Very high	57 Å²	57	32.4 Å²	32.4	40%	0.399	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	129.2	177	-62.3	0	0	0	0	111.2	H221 E222 E278	H221-S275 PolarHBondContact O-N 3.09Å; H221-S275 PolarHBondContact O-OG 3.46Å; E222-S275 PolarHBondContact N-OG 3.19Å; S275-E278 WeakPolarHBondContact CA-OE1 3.03Å
276	G	91.6	Very high	96.9	Very high	68 Å²	68	35.5 Å²	35.5	70%	0.701	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.2	-7.6	-176.2	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.31Å; G276-E278 WeakPolarHBondContact CA-OE2 3.47Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 3.18Å
277	E	95.5	Very high	96.7	Very high	51 Å²	51	33.6 Å²	33.6	24%	0.238	19%	0.187	C	C	.	.			trans	-99.4	3.3	175.3	-62.3	-160.9	150.5	0	0	113.5	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.42Å; R243-E277 IonicContact NH1-OE2 3.63Å; R243-E277 IonicContact NH2-OE1 2.65Å; R243-E277 IonicContact NH2-OE2 2.7Å; R243-E277 PolarHBondContact NH2-OE2 3Å; P274-E277 HydrophobicContact CB-CB 4.36Å; P274-E277 HydrophobicContact CB-CG 4.08Å; P274-E277 WeakPolarHBondContact CG-OE2 3.46Å; P274-E277 WeakPolarHBondContact O-CB 3.46Å; P274-E277 PolarHBondContact O-N 3.45Å; E277-Q279 PolarHBondContact O-N 3.4Å; E277-Q279 VanDerWaalsContact O-N 3.07Å; E277-R280 VanDerWaalsContact CD-NH1 3.34Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.06Å; E277-R280 PolarHBondContact O-N 3.47Å; E277-R280 IonicContact OE1-NH1 3.02Å; E277-R280 PolarHBondContact OE1-NH1 2.94Å; E277-R280 IonicContact OE2-NH1 3.48Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å
278	E	95	Very high	96.4	Very high	20 Å²	20	36 Å²	36	9%	0.093	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-57.2	-33.5	-170.8	-57.4	82	179.7	0	0	112.5	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.55Å; L225-E278 HydrophobicContact CD1-CB 4.12Å; L225-E278 HydrophobicContact CD2-CG 4.37Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.03Å; G276-E278 WeakPolarHBondContact CA-OE2 3.47Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.87Å; G276-E278 PolarHBondContact N-OE2 3.18Å; E278-R280 PolarHBondContact O-N 3.21Å; E278-Y281 PolarHBondContact O-N 2.88Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å
279	Q	95.3	Very high	96	Very high	88 Å²	88	35.3 Å²	35.3	41%	0.411	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.1	-179.5	-63.3	-57.6	-47	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.4Å; E277-Q279 VanDerWaalsContact O-N 3.07Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å; Q279-W298 PolarHBondContact NE2-O 3.48Å
280	R	96.8	Very high	95.8	Very high	93 Å²	93	35.9 Å²	35.9	35%	0.351	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-78.5	-15.7	173.2	-63.7	172.9	65.2	-177	2.2	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.36Å; D244-R280 PolarHBondContact N-O 3.4Å; D244-R280 IonicContact OD1-NE 2.66Å; D244-R280 PolarHBondContact OD1-NE 3.47Å; D244-R280 IonicContact OD2-CZ 2.85Å; D244-R280 IonicContact OD2-NE 3.4Å; D244-R280 PolarHBondContact OD2-NE 2.95Å; D244-R280 IonicContact OD2-NH2 3.99Å; D244-R280 PolarHBondContact OD2-NH2 3.3Å; E277-R280 VanDerWaalsContact CD-NH1 3.34Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.06Å; E277-R280 PolarHBondContact O-N 3.47Å; E277-R280 IonicContact OE1-NH1 3.02Å; E277-R280 PolarHBondContact OE1-NH1 2.94Å; E277-R280 IonicContact OE2-NH1 3.48Å; E278-R280 PolarHBondContact O-N 3.21Å
281	Y	97.6	Very high	95.5	Very high	8 Å²	8	42 Å²	42	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	131.1	-178.3	-67.1	-98.6	0	0	0	111.1	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.57Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.21Å; R243-Y281 HydrophobicContact CB-CD1 4.05Å; R243-Y281 HydrophobicContact CB-CE1 3.83Å; R243-Y281 WeakPolarHBondContact CD-OH 3.33Å; R243-Y281 HydrophobicContact CG-CD1 4.44Å; R243-Y281 HydrophobicContact CG-CE1 4.02Å; R243-Y281 HydrophobicContact CG-CE2 4.23Å; R243-Y281 PolarHBondContact NH1-OH 2.83Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG2-CD1 4.13Å; V273-Y281 HydrophobicContact CB-CD2 4Å; V273-Y281 HydrophobicContact CB-CE2 3.67Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.58Å; V273-Y281 HydrophobicContact CG1-CE1 3.68Å; V273-Y281 HydrophobicContact CG1-CE2 3.53Å; V273-Y281 HydrophobicContact CG1-CG 3.69Å; E277-Y281 HydrophobicContact CB-CE2 4.31Å; E277-Y281 WeakPolarHBondContact O-CD2 3.33Å; E278-Y281 PolarHBondContact O-N 2.88Å; Q279-Y281 VanDerWaalsContact C-N 3.27Å
282	T	98	Very high	95.3	Very high	12 Å²	12	49 Å²	49	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.4	175.3	46	0	0	0	0	110.4	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.44Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 3.27Å; Q242-T282 PolarHBondContact O-N 2.88Å; T282-H284 PolarHBondContact OG1-NE2 3.39Å; T282-T295 HydrophobicContact CG2-CG2 3.91Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; T282-R297 HydrophobicContact CG2-CG 3.6Å
283	C	98.2	Very high	95.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	169.5	174.7	0	0	0	0	109.4	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.52Å; C227-C283 WeakPolarHBondContact CB-SG 3.35Å; C227-C283 WeakPolarHBondContact SG-CB 3.28Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.91Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.14Å; W241-C283 HydrophobicContact CE3-CB 4.1Å; W241-C283 HydrophobicContact CH2-CB 4.01Å; W241-C283 HydrophobicContact CZ2-CB 4.05Å; W241-C283 HydrophobicContact CZ3-CB 4.03Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.12Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.41Å; C283-L296 PolarHBondContact O-N 3.33Å
284	H	97.9	Very high	95.1	Very high	31 Å²	31	51.4 Å²	51.4	14%	0.144	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.2	176.2	-63.2	-101.8	0	0	0	109.7	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.47Å; T240-H284 PolarHBondContact N-O 3.17Å; T240-H284 PolarHBondContact O-N 2.87Å; Q242-H284 PolarHBondContact OE1-NE2 3.12Å; Q242-H284 VanDerWaalsContact OE1-NE2 3.16Å; T282-H284 PolarHBondContact OG1-NE2 3.39Å; H284-L294 CarbonylContact C-O 3.51Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact CE1-OG1 3.08Å; H284-T295 PolarHBondContact ND1-OG1 3.18Å
285	V	98.1	Very high	95.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	-178.4	-174.3	0	0	0	0	109.4	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.97Å; T211-V285 HydrophobicContact CG2-CB 4.47Å; T211-V285 HydrophobicContact CG2-CG1 4.17Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.48Å; L239-V285 HydrophobicContact CD1-CG1 4.08Å; L239-V285 HydrophobicContact CG-CG2 4.33Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; V285-P293 WeakPolarHBondContact O-CA 3.22Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.78Å; V285-L294 PolarHBondContact O-N 3.42Å; V285-L296 HydrophobicContact CG2-CD1 4.05Å
286	Q	97.2	Very high	95.4	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.421	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130.7	175	-56	179.5	16.5	0	0	109.3	I237 T238 P293	I237-Q286 WeakPolarHBondContact CG1-O 3.42Å; T238-Q286 PolarHBondContact N-O 3.32Å; T238-Q286 PolarHBondContact O-N 2.97Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	95.4	Very high	95.6	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.023	28%	0.279	C	S	.	.			trans	-163.9	136.3	-174.8	177.1	-96.8	0	0	0	111.6	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.38Å; E207-H287 PolarHBondContact O-CE1 2.91Å; P209-H287 HydrophobicContact CG-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.7Å; F232-H287 AromaticContact CD2-NE2 3.61Å; Y233-H287 PolarHBondContact O-CE1 3.35Å; P234-H287 PolarHBondContact O-NE2 3.2Å; P234-H287 VanDerWaalsContact O-NE2 3.11Å; E236-H287 PolarHBondContact O-CD2 3.24Å; E236-H287 VanDerWaalsContact O-CD2 3.24Å; I237-H287 HydrophobicContact CD1-CB 4.12Å; I237-H287 HydrophobicContact CG1-CB 3.98Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 VanDerWaalsContact CE1-N 3.34Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.18Å; H287-L290 HydrophobicContact CB-CD1 4.07Å; H287-L290 HydrophobicContact CB-CG 4.35Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.34Å
288	E	91.4	Very high	95.6	Very high	71 Å²	71	55.4 Å²	55.4	33%	0.332	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-10.1	-51.8	161.6	173	-127.5	-149.1	0	0	118.9	W23 C25 A206	W23-E288 HydrophobicContact CD2-CB 4.11Å; W23-E288 HydrophobicContact CE3-CB 3.47Å; W23-E288 VanDerWaalsContact CE3-CB 3.47Å; W23-E288 HydrophobicContact CE3-CG 3.8Å; W23-E288 HydrophobicContact CH2-CB 3.88Å; W23-E288 HydrophobicContact CZ2-CB 4.36Å; W23-E288 VanDerWaalsContact CZ3-CA 3.49Å; W23-E288 HydrophobicContact CZ3-CB 3.45Å; W23-E288 VanDerWaalsContact CZ3-CB 3.45Å; W23-E288 HydrophobicContact CZ3-CG 4.04Å; W23-E288 WeakPolarHBondContact CZ3-O 3.28Å; C25-E288 PolarHBondContact SG-OE1 2.85Å; A206-E288 HydrophobicContact CB-CG 4.44Å
289	G	91.1	Very high	95.3	Very high	11 Å²	11	62.4 Å²	62.4	11%	0.113	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-11.1	-175.2	0	0	0	0	0	114.7	H208 H287	H208-G289 PolarHBondContact ND1-O 3.43Å; H287-G289 PolarHBondContact CE1-N 3.04Å; H287-G289 VanDerWaalsContact CE1-N 3.34Å; H287-G289 PolarHBondContact ND1-N 3.26Å; H287-G289 PolarHBondContact O-N 3.18Å
290	L	93.6	Very high	94.7	Very high	12 Å²	12	62 Å²	62	6%	0.063	31%	0.314	C	S	.	.			trans	-98.7	123.4	-172	-67	172	0	0	0	111.2	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.45Å; W23-L290 WeakPolarHBondContact CZ3-O 3.29Å; H208-L290 HydrophobicContact CB-CD2 3.98Å; P209-L290 HydrophobicContact CG-CD1 3.85Å; P209-L290 HydrophobicContact CG-CD2 4.46Å; P209-L290 HydrophobicContact CG-CG 4.22Å; V285-L290 HydrophobicContact CG1-CD1 4.23Å; H287-L290 HydrophobicContact CB-CD1 4.07Å; H287-L290 HydrophobicContact CB-CG 4.35Å; H287-L290 WeakPolarHBondContact O-CB 3.49Å; H287-L290 PolarHBondContact O-N 3.34Å; L290-E292 WeakPolarHBondContact CB-O 3.39Å; L290-E292 PolarHBondContact O-N 3.05Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.91Å
291	P	91.7	Very high	93.2	Very high	130 Å²	130	62.2 Å²	62.2	84%	0.844	33%	0.33	S	S	*	.	S	Bend	trans	-63.7	-29.9	176.8	26.6	-34.2	0	0	0	112.5
292	E	92.8	Very high	90.9	Very high	150 Å²	150	67.2 Å²	67.2	70%	0.701	37%	0.366	S	S	*	.	S	Bend	trans	-140.3	149.5	174.8	-66.1	-177.5	178.4	0	0	109.6	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.39Å; L290-E292 PolarHBondContact O-N 3.05Å; E292-L294 PolarHBondContact O-N 3.18Å
293	P	95.1	Very high	88.4	Confident	73 Å²	73	74.3 Å²	74.3	47%	0.474	40%	0.398	S	S	.	.			trans	-54.1	135.7	173.3	-27.5	36.4	0	0	0	112.5	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.22Å; Q286-P293 HydrophobicContact CG-CB 3.96Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	96.7	Very high	85.9	Confident	60 Å²	60	79.4 Å²	79.4	31%	0.314	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	140.3	175	-63.7	177.3	0	0	0	110.4	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.44Å; H284-L294 CarbonylContact C-O 3.51Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 2.78Å; V285-L294 PolarHBondContact O-N 3.42Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-L294 HydrophobicContact CD1-CG 3.87Å; L290-L294 HydrophobicContact CD2-CD1 3.68Å; L290-L294 HydrophobicContact CD2-CD2 4.46Å; L290-L294 HydrophobicContact CD2-CG 3.91Å; E292-L294 PolarHBondContact O-N 3.18Å
295	T	97.6	Very high	83.7	Confident	81 Å²	81	84.2 Å²	84.2	50%	0.497	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.1	170.5	-56.6	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.91Å; C283-T295 CarbonylContact O-C 3.57Å; C283-T295 WeakPolarHBondContact O-CA 3.12Å; H284-T295 PolarHBondContact CE1-OG1 3.08Å; H284-T295 PolarHBondContact ND1-OG1 3.18Å
296	L	96.9	Very high	81.7	Confident	36 Å²	36	89.2 Å²	89.2	19%	0.188	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	142.8	-174.1	-60	158.1	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.43Å; T211-L296 HydrophobicContact CG2-CD1 4.19Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.34Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; T282-L296 CarbonylContact C-O 3.54Å; T282-L296 WeakPolarHBondContact CA-O 3.34Å; C283-L296 HydrophobicContact CB-CB 4.3Å; C283-L296 PolarHBondContact N-O 3.41Å; C283-L296 PolarHBondContact O-N 3.33Å; V285-L296 HydrophobicContact CG2-CD1 4.05Å
297	R	96	Very high	79.8	Confident	145 Å²	145	89 Å²	89	55%	0.547	50%	0.495	S	S	.	.			trans	-118.6	160.8	167.4	-70.2	-175.1	177.3	170.5	-1.4	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.6Å; R297-E299 PolarHBondContact O-N 2.79Å
298	W	95.6	Very high	78.2	Confident	48 Å²	48	94.6 Å²	94.6	18%	0.182	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-69.1	122.2	168.1	170.4	57.3	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.82Å; H215-W298 HydrophobicContact CB-CD2 4.13Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.82Å; H215-W298 AromaticContact ND1-CZ2 3.97Å; L225-W298 HydrophobicContact CD1-CB 4.43Å; L225-W298 HydrophobicContact CD2-CB 3.84Å; L225-W298 HydrophobicContact CD2-CD2 4.39Å; L225-W298 HydrophobicContact CD2-CG 3.97Å; E278-W298 HydrophobicContact CB-CD2 4.44Å; E278-W298 HydrophobicContact CB-CE3 3.41Å; E278-W298 VanDerWaalsContact CB-CE3 3.41Å; E278-W298 HydrophobicContact CB-CZ3 3.8Å; E278-W298 HydrophobicContact CG-CE3 3.75Å; E278-W298 HydrophobicContact CG-CZ3 3.76Å; Q279-W298 PolarHBondContact NE2-O 3.48Å; W298-P300 HydrophobicContact CE3-CG 4.45Å; W298-P300 HydrophobicContact CH2-CB 4.35Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å
299	E	89.3	Confident	76.9	Confident	167 Å²	167	97 Å²	97	78%	0.78	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-101.2	120.7	170	-70.6	-175.8	175.2	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 2.79Å; E299-S301 PolarHBondContact O-N 3.26Å
300	P	81	Confident	75.7	Confident	79 Å²	79	98.7 Å²	98.7	51%	0.513	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-58.8	126.2	171.1	-20.5	31.2	0	0	0	109.2	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.45Å; W298-P300 HydrophobicContact CH2-CB 4.35Å; W298-P300 HydrophobicContact CH2-CG 3.94Å; W298-P300 HydrophobicContact CZ2-CB 4.1Å; W298-P300 HydrophobicContact CZ2-CG 4.03Å; W298-P300 HydrophobicContact CZ3-CG 4.14Å; P300-S302 PolarHBondContact O-N 2.77Å
301	S	65.1	Low	74.7	Confident	98 Å²	98	102.6 Å²	102.6	69%	0.685	58%	0.58	S	S	*	*			trans	-48.3	107	176.6	141.1	0	0	0	0	110.2	E299 Q303	E299-S301 PolarHBondContact O-N 3.26Å; S301-Q303 PolarHBondContact O-N 3.18Å; S301-Q303 PolarHBondContact OG-N 3.16Å
302	S	50	Low	73.9	Confident	112 Å²	112	100.6 Å²	100.6	78%	0.783	57%	0.566	S	S	*	*			trans	-80	64.2	166.5	51.7	0	0	0	0	108.6	P300 P304	P300-S302 PolarHBondContact O-N 2.77Å; S302-P304 WeakPolarHBondContact O-CD 3.43Å; S302-P304 VanDerWaalsContact O-N 3.14Å
303	Q	46.2	Very low	73.1	Confident	161 Å²	161	96 Å²	96	75%	0.752	55%	0.553	S	S	*	*			trans	-64.7	113.3	156.7	-85.4	-171.5	-18.4	0	0	105.4	S301 T305	S301-Q303 PolarHBondContact O-N 3.18Å; S301-Q303 PolarHBondContact OG-N 3.16Å; Q303-T305 PolarHBondContact O-N 3.05Å
304	P	44.8	Very low	72.4	Confident	107 Å²	107	94.1 Å²	94.1	70%	0.695	55%	0.547	S	S	*	.			trans	-60.8	114.6	165.7	26	-29.3	0	0	0	104.6	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.43Å; S302-P304 VanDerWaalsContact O-N 3.14Å; P304-I306 PolarHBondContact O-N 3.49Å
305	T	52.4	Low	71.8	Confident	132 Å²	132	96.5 Å²	96.5	81%	0.81	56%	0.56	S	S	*	*			trans	-62.3	83.9	161	-41.2	0	0	0	0	104.8	Q303 P307	Q303-T305 PolarHBondContact O-N 3.05Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.31Å
306	I	55.7	Low	71.1	Confident	106 Å²	106	95.2 Å²	95.2	54%	0.544	56%	0.557	S	S	.	*			trans	-49.5	119.2	166.2	-64.4	174.5	0	0	0	102.8	P304 I308 I311	P304-I306 PolarHBondContact O-N 3.49Å; I306-I308 PolarHBondContact O-N 3.35Å; I306-I311 HydrophobicContact CG2-CD1 3.83Å
307	P	58.2	Low	70.5	Confident	84 Å²	84	97.7 Å²	97.7	55%	0.545	57%	0.573	S	S	.	*			trans	-73	80.7	-174.8	28.8	-32.7	0	0	0	106.7	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.31Å; P307-V309 PolarHBondContact O-N 3.34Å; P307-V309 VanDerWaalsContact O-N 3.16Å; P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 2.82Å; P307-I311 PolarHBondContact O-N 3.13Å; P307-I311 VanDerWaalsContact O-N 3.08Å
308	I	61.7	Low	69.9	Low	123 Å²	123	96.1 Å²	96.1	63%	0.631	58%	0.575	S	S	*	*	H	α-helix	trans	-54.8	-35.2	177.7	-67.4	166.3	0	0	0	108.2	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.35Å; I308-G310 PolarHBondContact O-N 2.94Å; I308-I311 PolarHBondContact O-N 3.4Å; I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.29Å; I308-V312 PolarHBondContact O-N 2.89Å
309	V	63.2	Low	69.4	Low	123 Å²	123	96.6 Å²	96.6	75%	0.745	59%	0.589	S	S	*	*	H	α-helix	trans	-61.4	-41.3	172.9	-178.7	0	0	0	0	112.5	P307 A313	P307-V309 PolarHBondContact O-N 3.34Å; P307-V309 VanDerWaalsContact O-N 3.16Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 3.13Å
310	G	66.6	Low	69.2	Low	46 Å²	46	92.9 Å²	92.9	47%	0.474	58%	0.578	S	S	.	*	H	α-helix	trans	-68.6	-38.7	178.8	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.36Å; P307-G310 PolarHBondContact O-N 2.82Å; I308-G310 PolarHBondContact O-N 2.94Å; G310-G314 PolarHBondContact O-N 2.85Å
311	I	73.1	Confident	69.3	Low	94 Å²	94	94 Å²	94	48%	0.482	58%	0.579	S	S	.	*	H	α-helix	trans	-69.2	-44.2	176.3	-62.1	173.8	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 3.83Å; P307-I311 PolarHBondContact O-N 3.13Å; P307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 3.4Å; I311-G314 PolarHBondContact O-N 3.46Å; I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.93Å
312	V	74.6	Confident	70.2	Confident	88 Å²	88	92.5 Å²	92.5	53%	0.533	57%	0.572	S	S	.	*	H	α-helix	trans	-65.3	-42.7	178.3	172.6	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.28Å; I308-V312 WeakPolarHBondContact O-CB 3.39Å; I308-V312 WeakPolarHBondContact O-CG2 3.29Å; I308-V312 PolarHBondContact O-N 2.89Å; V312-L315 PolarHBondContact O-N 2.74Å; V312-A316 WeakPolarHBondContact O-CB 3.24Å; V312-A316 PolarHBondContact O-N 2.89Å
313	A	74.9	Confident	71.7	Confident	52 Å²	52	91.6 Å²	91.6	43%	0.43	56%	0.562	S	S	.	*	H	α-helix	trans	-63.2	-43.4	175	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.41Å; V309-A313 PolarHBondContact O-N 3.13Å; A313-A316 PolarHBondContact O-N 3.04Å; A313-V317 WeakPolarHBondContact O-CG2 3.18Å; A313-V317 PolarHBondContact O-N 3.24Å
314	G	80.7	Confident	73.4	Confident	35 Å²	35	88.6 Å²	88.6	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-61.4	-43.9	176.7	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.85Å; I311-G314 PolarHBondContact O-N 3.46Å; G314-V317 PolarHBondContact O-N 2.82Å; G314-L318 PolarHBondContact O-N 3.18Å
315	L	84.8	Confident	75.2	Confident	110 Å²	110	85.6 Å²	85.6	58%	0.576	54%	0.539	S	S	*	.	H	α-helix	trans	-66.6	-38.4	176.8	-72.6	172.2	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.01Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.38Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 2.93Å; V312-L315 PolarHBondContact O-N 2.74Å; L315-L318 PolarHBondContact O-N 3.34Å; L315-A319 WeakPolarHBondContact O-CB 3.21Å; L315-A319 PolarHBondContact O-N 3.12Å
316	A	82.3	Confident	76.4	Confident	53 Å²	53	82 Å²	82	44%	0.438	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-43.1	175.6	0	0	0	0	0	111.7	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.24Å; V312-A316 PolarHBondContact O-N 2.89Å; A313-A316 PolarHBondContact O-N 3.04Å; A316-A319 PolarHBondContact O-N 3.2Å; A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3.38Å
317	V	84.4	Confident	77.5	Confident	88 Å²	88	80.7 Å²	80.7	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-44.4	176.4	172.8	0	0	0	0	111.1	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.18Å; A313-V317 PolarHBondContact O-N 3.24Å; G314-V317 PolarHBondContact O-N 2.82Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.86Å; V317-V320 PolarHBondContact O-N 3.26Å; V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.1Å
318	L	84	Confident	78.3	Confident	113 Å²	113	82.3 Å²	82.3	59%	0.592	52%	0.521	S	S	*	.	H	α-helix	trans	-61.7	-41.2	176.6	-81.2	165.9	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.18Å; L315-L318 PolarHBondContact O-N 3.34Å; L318-L321 PolarHBondContact O-N 2.98Å; L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 2.69Å
319	A	84.3	Confident	78.9	Confident	57 Å²	57	79 Å²	79	47%	0.471	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-43.6	176.1	0	0	0	0	0	111.8	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.21Å; L315-A319 PolarHBondContact O-N 3.12Å; A316-A319 PolarHBondContact O-N 3.2Å; V317-A319 VanDerWaalsContact C-N 3.35Å; V317-A319 PolarHBondContact O-N 2.86Å; A319-A322 PolarHBondContact O-N 3.25Å; A319-V323 WeakPolarHBondContact O-CG2 3.26Å; A319-V323 PolarHBondContact O-N 2.82Å
320	V	84.6	Confident	79.4	Confident	89 Å²	89	77.2 Å²	77.2	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-44.4	176.3	171.8	0	0	0	0	111.1	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.32Å; A316-V320 WeakPolarHBondContact O-CG2 3.15Å; A316-V320 PolarHBondContact O-N 3.38Å; V317-V320 PolarHBondContact O-N 3.26Å; V320-A322 PolarHBondContact O-N 3.03Å; V320-V323 PolarHBondContact O-N 3.09Å; V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.77Å
321	L	84.8	Confident	79.7	Confident	104 Å²	104	78.4 Å²	78.4	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-64.2	-38.9	177.5	-70.9	173.9	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4Å; V317-L321 HydrophobicContact CG1-CG 4.42Å; V317-L321 WeakPolarHBondContact O-CG 3.49Å; V317-L321 PolarHBondContact O-N 3.1Å; L318-L321 PolarHBondContact O-N 2.98Å; L321-L324 PolarHBondContact O-N 2.99Å; L321-G325 PolarHBondContact O-N 3.5Å
322	A	82.4	Confident	79.7	Confident	65 Å²	65	80.1 Å²	80.1	54%	0.537	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-42	175.8	0	0	0	0	0	111.8	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.32Å; L318-A322 PolarHBondContact O-N 2.69Å; A319-A322 PolarHBondContact O-N 3.25Å; V320-A322 PolarHBondContact O-N 3.03Å; A322-G325 PolarHBondContact O-N 3.4Å; A322-A326 WeakPolarHBondContact O-CB 3.33Å; A322-A326 PolarHBondContact O-N 3.09Å
323	V	82.8	Confident	79.1	Confident	93 Å²	93	80.1 Å²	80.1	56%	0.564	51%	0.509	S	S	*	.	H	α-helix	trans	-64.4	-45.3	175.7	173.2	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.26Å; A319-V323 PolarHBondContact O-N 2.82Å; V320-V323 PolarHBondContact O-N 3.09Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.37Å; V323-A326 PolarHBondContact O-N 3.07Å; V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.34Å; V323-V327 PolarHBondContact O-N 3.33Å
324	L	81.8	Confident	78.4	Confident	99 Å²	99	86.9 Å²	86.9	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-61.8	-42.4	176.2	-72.3	169.2	0	0	0	111.7	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.94Å; V320-L324 HydrophobicContact CG1-CG 4.48Å; V320-L324 WeakPolarHBondContact O-CG 3.44Å; V320-L324 PolarHBondContact O-N 2.77Å; L321-L324 PolarHBondContact O-N 2.99Å; L324-V327 PolarHBondContact O-N 3.34Å; L324-M328 WeakPolarHBondContact O-CB 3.23Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.45Å; L324-M328 PolarHBondContact O-N 2.92Å
325	G	81.3	Confident	77.3	Confident	43 Å²	43	95.2 Å²	95.2	44%	0.443	54%	0.544	S	S	.	.	H	α-helix	trans	-60.4	-44.6	174.5	0	0	0	0	0	112.6	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.5Å; A322-G325 PolarHBondContact O-N 3.4Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.37Å; G325-M328 PolarHBondContact O-N 3.12Å; G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.09Å
326	A	79	Confident	75.6	Confident	56 Å²	56	98.7 Å²	98.7	46%	0.463	56%	0.555	S	S	.	*	H	α-helix	trans	-64.2	-42.3	176.3	0	0	0	0	0	112.2	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.33Å; A322-A326 PolarHBondContact O-N 3.09Å; V323-A326 PolarHBondContact O-N 3.07Å; A326-A329 PolarHBondContact O-N 2.99Å; A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 2.82Å; A326-V330 PolarHBondContact O-N 3.05Å
327	V	79	Confident	74.1	Confident	79 Å²	79	100.8 Å²	100.8	48%	0.479	57%	0.566	S	S	.	*	H	α-helix	trans	-62.6	-45.5	176.1	171.3	0	0	0	0	110.6	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.43Å; V323-V327 VanDerWaalsContact O-CG2 3.29Å; V323-V327 WeakPolarHBondContact O-CG2 3.34Å; V323-V327 PolarHBondContact O-N 3.33Å; L324-V327 PolarHBondContact O-N 3.34Å; V327-A329 PolarHBondContact O-N 3.43Å; V327-V330 PolarHBondContact O-N 3.11Å; V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.39Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.97Å
328	M	74.7	Confident	72.4	Confident	119 Å²	119	101.6 Å²	101.6	59%	0.586	58%	0.576	S	S	*	*	H	α-helix	trans	-62.8	-40.7	176.9	-71.8	-63.1	-71.3	0	0	112	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.23Å; L324-M328 VanDerWaalsContact O-CG 3.29Å; L324-M328 WeakPolarHBondContact O-CG 3.45Å; L324-M328 PolarHBondContact O-N 2.92Å; G325-M328 PolarHBondContact O-N 3.12Å; M328-V331 PolarHBondContact O-N 3.08Å; M328-M332 WeakPolarHBondContact O-CB 3.29Å; M328-M332 WeakPolarHBondContact O-CG 3.34Å; M328-M332 PolarHBondContact O-N 2.84Å
329	A	73.8	Confident	70.5	Confident	53 Å²	53	99.2 Å²	99.2	44%	0.438	58%	0.578	S	S	.	*	H	α-helix	trans	-63	-43.1	174.7	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.42Å; G325-A329 PolarHBondContact O-N 3.09Å; A326-A329 PolarHBondContact O-N 2.99Å; V327-A329 PolarHBondContact O-N 3.43Å; A329-M332 PolarHBondContact O-N 3.48Å; A329-C333 WeakPolarHBondContact O-CB 3.34Å; A329-C333 PolarHBondContact O-N 3.33Å; A329-C333 PolarHBondContact O-SG 3.24Å
330	V	73.4	Confident	68.2	Low	86 Å²	86	100.6 Å²	100.6	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-65	-41.7	175.8	170.4	0	0	0	0	111.5	A326 V327 C333 R334	A326-V330 VanDerWaalsContact O-CG2 3.31Å; A326-V330 WeakPolarHBondContact O-CG2 2.82Å; A326-V330 PolarHBondContact O-N 3.05Å; V327-V330 PolarHBondContact O-N 3.11Å; V330-C333 PolarHBondContact O-N 3.01Å; V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.34Å; V330-R334 PolarHBondContact O-N 3.13Å
331	V	73.6	Confident	65.8	Low	71 Å²	71	107 Å²	107	43%	0.43	62%	0.619	S	S	.	*	H	α-helix	trans	-65.8	-40.5	176.9	171.1	0	0	0	0	111	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.37Å; V327-V331 WeakPolarHBondContact O-CB 3.39Å; V327-V331 VanDerWaalsContact O-CG2 3.28Å; V327-V331 WeakPolarHBondContact O-CG2 3.42Å; V327-V331 PolarHBondContact O-N 2.97Å; M328-V331 PolarHBondContact O-N 3.08Å; V331-R334 PolarHBondContact O-N 3.16Å; V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 3.09Å
332	M	71.9	Confident	63.3	Low	130 Å²	130	106 Å²	106	64%	0.64	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-41.1	174.1	-74.8	-174	70	0	0	112.2	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.29Å; M328-M332 WeakPolarHBondContact O-CG 3.34Å; M328-M332 PolarHBondContact O-N 2.84Å; A329-M332 PolarHBondContact O-N 3.48Å; M332-R334 VanDerWaalsContact C-N 3.3Å; M332-R334 PolarHBondContact O-N 3.1Å; M332-R335 PolarHBondContact O-N 2.89Å; M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.88Å
333	C	62	Low	60.9	Low	88 Å²	88	106.8 Å²	106.8	60%	0.595	65%	0.648	S	S	*	*	H	α-helix	trans	-63.3	-35	172.7	-79.5	0	0	0	0	112.3	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.34Å; A329-C333 PolarHBondContact O-N 3.33Å; A329-C333 PolarHBondContact O-SG 3.24Å; V330-C333 PolarHBondContact O-N 3.01Å; C333-K336 PolarHBondContact O-N 3.39Å; C333-S337 WeakPolarHBondContact O-CB 3.3Å; C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 VanDerWaalsContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 3.03Å
334	R	60.7	Low	58.5	Low	193 Å²	193	108 Å²	108	73%	0.728	66%	0.661	S	S	*	*	H	α-helix	trans	-72.5	-36.2	173.8	-80.6	-172.9	149.7	165	-3.9	113.1	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.43Å; V330-R334 WeakPolarHBondContact O-CG 3.34Å; V330-R334 PolarHBondContact O-N 3.13Å; V331-R334 PolarHBondContact O-N 3.16Å; M332-R334 VanDerWaalsContact C-N 3.3Å; M332-R334 PolarHBondContact O-N 3.1Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 WeakPolarHBondContact CA-OG 3.27Å; R334-S337 PolarHBondContact O-OG 2.73Å
335	R	57.7	Low	56	Low	211 Å²	211	108.6 Å²	108.6	80%	0.796	67%	0.672	S	S	*	*	H	α-helix	trans	-68.3	-31.1	171.4	-103.4	-178.4	165.2	173.5	-3.6	112.7	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.47Å; V331-R335 PolarHBondContact O-N 3.09Å; M332-R335 PolarHBondContact O-N 2.89Å; R335-S338 PolarHBondContact O-OG 2.65Å
336	K	49.8	Very low	53.8	Low	183 Å²	183	112.1 Å²	112.1	80%	0.796	69%	0.69	S	S	*	*	H	α-helix	trans	-83.7	-17	178.9	-163.2	168.8	-179.5	178.6	0	113.6	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.48Å; M332-K336 PolarHBondContact O-N 2.88Å; C333-K336 PolarHBondContact O-N 3.39Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	50.5	Low	51.6	Low	96 Å²	96	118.6 Å²	118.6	67%	0.671	71%	0.711	S	S	*	*	S	Bend	trans	-95	-1	175.9	46.5	0	0	0	0	114.4	C333 R334	C333-S337 WeakPolarHBondContact O-CB 3.3Å; C333-S337 PolarHBondContact O-N 3.33Å; C333-S337 VanDerWaalsContact O-N 3.07Å; C333-S337 PolarHBondContact O-OG 3.03Å; R334-S337 WeakPolarHBondContact CA-OG 3.27Å; R334-S337 PolarHBondContact O-OG 2.73Å
338	S	48.4	Very low	49.4	Very low	105 Å²	105	119.9 Å²	119.9	73%	0.734	73%	0.73	S	S	*	*	S	Bend	trans	-95.7	24.9	171.4	73.8	0	0	0	0	113.9	R335	R335-S338 PolarHBondContact O-OG 2.65Å
339	G	44.9	Very low	47.3	Very low	63 Å²	63	118.7 Å²	118.7	65%	0.649	74%	0.739	S	S	*	*	S	Bend	trans	-163.9	100	176.2	0	0	0	0	0	112.8
340	G	36.1	Very low	45.5	Very low	87 Å²	87	121.5 Å²	121.5	90%	0.897	76%	0.755	S	S	*	*			trans	125.4	105	158.6	0	0	0	0	0	115.4
341	K	33.5	Very low	43.5	Very low	222 Å²	222	123 Å²	123	97%	0.965	77%	0.77	S	S	*	*			trans	-100.4	132.4	172.9	-171.2	166.5	-176.7	172.8	0	108.3
342	G	32.1	Very low	41.8	Very low	83 Å²	83	127.1 Å²	127.1	86%	0.856	79%	0.789	S	S	*	*			trans	141.6	122.5	157.7	0	0	0	0	0	116.2
343	G	31.6	Very low	40.2	Very low	82 Å²	82	126.5 Å²	126.5	85%	0.845	80%	0.797	S	S	*	*			trans	133.9	90.5	152.6	0	0	0	0	0	117.2
344	S	33.8	Very low	39	Very low	118 Å²	118	126.6 Å²	126.6	83%	0.825	81%	0.805	S	S	*	*			trans	-58	158.4	154.3	-165.2	0	0	0	0	110
345	C	28.9	Very low	37.9	Very low	112 Å²	112	127.1 Å²	127.1	76%	0.757	82%	0.816	S	S	*	*			cis	-152.3	166	30	-115	0	0	0	0	105.1
346	S	34.1	Very low	36.6	Very low	117 Å²	117	120 Å²	120	82%	0.818	81%	0.807	S	S	*	*				-171.9	154.8	58.8	27.8	0	0	0	0	112.2
347	Q	33.8	Very low	36.1	Very low	193 Å²	193	116.6 Å²	116.6	90%	0.902	81%	0.807	S	S	*	*			trans	-49.6	135.7	172.9	-129.7	158.3	-18.7	0	0	114.4
348	A	31.5	Very low	35.5	Very low	106 Å²	106	118.7 Å²	118.7	88%	0.876	81%	0.81	S	S	*	*			trans	-85.2	128.6	164	0	0	0	0	0	109.9
349	A	32.3	Very low	34.7	Very low	94 Å²	94	122 Å²	122	78%	0.777	81%	0.814	S	S	*	*			trans	-121.8	143	166.6	0	0	0	0	0	109.7
350	S	34.2	Very low	34.1	Very low	111 Å²	111	124.8 Å²	124.8	78%	0.776	82%	0.824	S	S	*	*			trans	-28	150.7	171.1	55.6	0	0	0	0	116.2
351	S	32.7	Very low	34	Very low	118 Å²	118	128.5 Å²	128.5	83%	0.825	82%	0.822	S	S	*	*				173	160.6	72.1	47.5	0	0	0	0	112.2
352	N	36.7	Very low	34	Very low	158 Å²	158	126.2 Å²	126.2	85%	0.845	82%	0.819	S	S	*	*			trans	-61.7	154.4	177.5	-66.8	-34.5	0	0	0	117.6
353	S	40	Very low	34.2	Very low	116 Å²	116	126 Å²	126	81%	0.811	81%	0.809	S	S	*	*			trans	-178.7	119.6	136.3	36.7	0	0	0	0	107.5
354	A	35.8	Very low	34.1	Very low	91 Å²	91	128.3 Å²	128.3	75%	0.752	81%	0.811	S	S	*	*				77.1	126.7	57.5	0	0	0	0	0	115.1
355	Q	36.6	Very low	34.1	Very low	204 Å²	204	132.4 Å²	132.4	95%	0.953	81%	0.814	S	S	*	*			trans	79.5	129.4	160.8	-103.7	151.5	-12	0	0	118.4
356	G	31.2	Very low	34.5	Very low	60 Å²	60	135.5 Å²	135.5	62%	0.619	85%	0.847	S	S	*	*			cis	175.3	170.4	4	0	0	0	0	0	112.6
357	S	38.6	Very low	34.5	Very low	112 Å²	112	136.5 Å²	136.5	78%	0.783	85%	0.849	S	S	*	*			trans	56.6	144.2	153.2	4.2	0	0	0	0	120
358	D	37.8	Very low	34.5	Very low	140 Å²	140	133.5 Å²	133.5	75%	0.749	85%	0.846	S	S	*	*			cis	-156.5	155.9	22.2	-102.2	-36.5	0	0	0	114.5
359	E	32.2	Very low	34.7	Very low	175 Å²	175	135 Å²	135	82%	0.818	84%	0.844	S	S	*	*			trans	43	119.4	145	-67.9	-171.6	124.4	0	0	123.7
360	S	32.2	Very low	34.8	Very low	122 Å²	122	137.4 Å²	137.4	85%	0.853	85%	0.848	S	S	*	*				-175.8	128.4	91	48.3	0	0	0	0	111.3
361	L	34.1	Very low	34.9	Very low	164 Å²	164	139.1 Å²	139.1	86%	0.859	85%	0.853	S	S	*	*			trans	-129.3	125.8	174.4	-103.6	166.4	0	0	0	107
362	I	35	Very low	35	Very low	174 Å²	174	140.5 Å²	140.5	89%	0.892	86%	0.855	S	S	*	*			trans	-131	121.8	149.8	-66.2	-174.9	0	0	0	107.6
363	A	36.1	Very low	34.9	Very low	78 Å²	78	139.2 Å²	139.2	65%	0.645	86%	0.855	S	S	*	*			trans	-90.6	161.1	169.4	0	0	0	0	0	110.3
364	C	29	Very low	34.5	Very low	132 Å²	132	141 Å²	141	89%	0.892	86%	0.859	S	S	*	*				-165.5	136.7	118.4	-106.4	0	0	0	0	112.4
365	K	33.5	Very low	34.4	Very low	204 Å²	204	145.2 Å²	145.2	89%	0.887	87%	0.868	S	S	*	*			trans	-67.3	149.6	161.4	-82.3	168.3	162.9	174.6	0	110.5
366	A	36.3	Very low	34.2	Very low	177 Å²	177	139.8 Å²	139.8	100%	1.463	86%	0.86	S	S	*	*				174.3	0	105.7	0	0	0	0	0	108.5

Retrieved 366 of 366 residues in 65.6 ms (Link to these results)

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