A0A090KM82_HUMAN Loading...

HLA class I antigen

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

AlphaFold DB , UniProt , Accession A0A090KM82, 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	34.3	Very low	42.5	Very low	240 Å²	240	145.7 Å²	145.7	100%	1.182	73%	0.731	S	S	*	*				0	101.3	0	-77.6	161.7	150.4	0	0	108.2
2	R	35.3	Very low	42.6	Very low	251 Å²	251	144.6 Å²	144.6	95%	0.947	73%	0.728	S	S	*	*			trans	-90.8	109.1	170.2	-96.6	-179.4	173.2	166.6	-2.1	106.6	M4	R2-M4 PolarHBondContact O-N 2.8Å; R2-M4 VanDerWaalsContact O-N 3.16Å
3	V	37.3	Very low	42.2	Very low	141 Å²	141	141.4 Å²	141.4	86%	0.855	71%	0.713	S	S	*	*			trans	-72	106	171.4	179	0	0	0	0	106.5	A5	V3-A5 PolarHBondContact O-N 2.62Å
4	M	41	Very low	42.2	Very low	183 Å²	183	135.6 Å²	135.6	90%	0.901	69%	0.692	S	S	*	*			trans	-82.1	98.9	176	-156	166	69	0	0	106.6	R2	R2-M4 PolarHBondContact O-N 2.8Å; R2-M4 VanDerWaalsContact O-N 3.16Å
5	A	44.4	Very low	42.2	Very low	61 Å²	61	128.8 Å²	128.8	50%	0.504	67%	0.669	S	S	.	*			trans	-61.1	140.8	174	0	0	0	0	0	109.4	V3 R7	V3-A5 PolarHBondContact O-N 2.62Å; A5-R7 PolarHBondContact O-N 3.44Å
6	P	41.6	Very low	42	Very low	71 Å²	71	123.9 Å²	123.9	46%	0.461	65%	0.654	S	S	.	*			trans	-66.6	125.5	-177.4	-7.7	22.5	0	0	0	109.2	T8 L9	P6-T8 PolarHBondContact O-N 2.72Å; P6-L9 PolarHBondContact O-N 2.7Å
7	R	48.3	Very low	41.5	Very low	222 Å²	222	123.4 Å²	123.4	84%	0.838	65%	0.651	S	S	*	*	H	α-helix	trans	-54.8	-21.8	175.7	-84.6	178.1	162	141.5	-6.2	113.4	A5	A5-R7 PolarHBondContact O-N 3.44Å
8	T	48.2	Very low	41.3	Very low	101 Å²	101	119.8 Å²	119.8	62%	0.62	64%	0.642	S	S	*	*	H	α-helix	trans	-69.4	-30.5	173.5	31	0	0	0	0	113.8	P6 L12	P6-T8 PolarHBondContact O-N 2.72Å; T8-L12 PolarHBondContact O-N 3.28Å
9	L	41.3	Very low	41.2	Very low	103 Å²	103	118.7 Å²	118.7	54%	0.539	64%	0.635	S	S	.	*	H	α-helix	trans	-74.4	-32.6	179.2	-132.9	98.7	0	0	0	112	P6 L13	P6-L9 PolarHBondContact O-N 2.7Å; L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.43Å
10	I	47	Very low	40.9	Very low	101 Å²	101	117.5 Å²	117.5	52%	0.518	63%	0.632	S	S	.	*	H	α-helix	trans	-71.8	-36.9	-179.6	-63.3	172.1	0	0	0	110.9	L13 S14	I10-L13 PolarHBondContact O-N 2.88Å; I10-S14 PolarHBondContact O-N 3.21Å; I10-S14 PolarHBondContact O-OG 3.15Å
11	L	48.8	Very low	40.7	Very low	129 Å²	129	119.8 Å²	119.8	68%	0.675	64%	0.639	S	S	*	*	H	α-helix	trans	-68.6	-38.2	176.3	-77.5	163.2	0	0	0	112.7	S14 G15	L11-S14 WeakPolarHBondContact O-CB 3.5Å; L11-S14 PolarHBondContact O-N 3.16Å; L11-G15 PolarHBondContact O-N 3.29Å
12	L	43.9	Very low	41	Very low	132 Å²	132	113.3 Å²	113.3	69%	0.691	61%	0.613	S	S	*	*	H	α-helix	trans	-65.8	-38.8	175.5	-76.1	164.7	0	0	0	112.3	T8 S14 A16	T8-L12 PolarHBondContact O-N 3.28Å; L12-S14 VanDerWaalsContact C-N 3.33Å; L12-A16 WeakPolarHBondContact O-CB 3.1Å; L12-A16 PolarHBondContact O-N 3.03Å
13	L	37.9	Very low	41.6	Very low	103 Å²	103	106.2 Å²	106.2	54%	0.539	59%	0.586	S	S	.	*	H	α-helix	trans	-69.3	-30.2	173.9	-77.2	159.7	0	0	0	112.5	L9 I10 L17	L9-L13 WeakPolarHBondContact O-CD1 3.33Å; L9-L13 PolarHBondContact O-N 3.43Å; I10-L13 PolarHBondContact O-N 2.88Å; L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 2.92Å
14	S	41.9	Very low	42.4	Very low	60 Å²	60	101.8 Å²	101.8	42%	0.42	56%	0.564	S	S	.	*	H	α-helix	trans	-71.5	-40.2	176.3	-49.7	0	0	0	0	111.9	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.21Å; I10-S14 PolarHBondContact O-OG 3.15Å; L11-S14 WeakPolarHBondContact O-CB 3.5Å; L11-S14 PolarHBondContact O-N 3.16Å; L12-S14 VanDerWaalsContact C-N 3.33Å; S14-A18 WeakPolarHBondContact O-CB 3.38Å; S14-A18 PolarHBondContact O-N 2.98Å
15	G	41.3	Very low	43.9	Very low	34 Å²	34	95.6 Å²	95.6	35%	0.351	54%	0.539	S	S	.	.	H	α-helix	trans	-66.7	-41.5	174.3	0	0	0	0	0	112.2	L11 A18 L19	L11-G15 PolarHBondContact O-N 3.29Å; G15-A18 PolarHBondContact O-N 2.88Å; G15-L19 VanDerWaalsContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CB 3.33Å; G15-L19 WeakPolarHBondContact O-CD1 3.5Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 2.89Å
16	A	40.1	Very low	46.1	Very low	51 Å²	51	96 Å²	96	42%	0.421	54%	0.538	S	S	.	.	H	α-helix	trans	-66.7	-39.6	176.3	0	0	0	0	0	112.8	L12 L19 T20	L12-A16 WeakPolarHBondContact O-CB 3.1Å; L12-A16 PolarHBondContact O-N 3.03Å; A16-L19 PolarHBondContact O-N 3.34Å; A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 3.03Å
17	L	33.8	Very low	48.7	Very low	114 Å²	114	94.1 Å²	94.1	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-68.3	-39.2	176.6	-80.1	161.8	0	0	0	112.4	L13 L19 T20 E21	L13-L17 WeakPolarHBondContact O-CB 3.38Å; L13-L17 WeakPolarHBondContact O-CD1 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.25Å; L13-L17 PolarHBondContact O-N 2.92Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.94Å; L17-T20 WeakPolarHBondContact CA-OG1 3.26Å; L17-T20 PolarHBondContact O-N 3.01Å; L17-T20 PolarHBondContact O-OG1 3.02Å; L17-E21 PolarHBondContact O-N 3.18Å
18	A	38	Very low	51	Low	59 Å²	59	84.6 Å²	84.6	49%	0.488	49%	0.491	S	S	.	.	H	α-helix	trans	-65.5	-34.4	172.7	0	0	0	0	0	112.2	S14 G15	S14-A18 WeakPolarHBondContact O-CB 3.38Å; S14-A18 PolarHBondContact O-N 2.98Å; G15-A18 PolarHBondContact O-N 2.88Å
19	L	37.8	Very low	53.4	Low	100 Å²	100	79.9 Å²	79.9	52%	0.524	46%	0.461	S	S	.	.	H	α-helix	trans	-75	-24.4	175.4	-87.7	155	0	0	0	113.5	G15 A16 L17 T22	G15-L19 VanDerWaalsContact O-CB 3.32Å; G15-L19 WeakPolarHBondContact O-CB 3.33Å; G15-L19 WeakPolarHBondContact O-CD1 3.5Å; G15-L19 WeakPolarHBondContact O-CG 3.49Å; G15-L19 PolarHBondContact O-N 2.89Å; A16-L19 PolarHBondContact O-N 3.34Å; L17-L19 VanDerWaalsContact C-N 3.31Å; L17-L19 PolarHBondContact O-N 2.94Å; L19-T22 PolarHBondContact O-OG1 3.06Å
20	T	35.6	Very low	56.1	Low	94 Å²	94	77.1 Å²	77.1	58%	0.577	44%	0.444	S	S	*	.	H	α-helix	trans	-85.5	-27.5	176.5	50.7	0	0	0	0	113.6	A16 L17 T22	A16-T20 WeakPolarHBondContact O-CG2 3.21Å; A16-T20 PolarHBondContact O-N 3.03Å; A16-T20 PolarHBondContact O-OG1 3.03Å; L17-T20 WeakPolarHBondContact CA-OG1 3.26Å; L17-T20 PolarHBondContact O-N 3.01Å; L17-T20 PolarHBondContact O-OG1 3.02Å; T20-T22 VanDerWaalsContact C-N 3.3Å; T20-T22 PolarHBondContact O-N 2.81Å
21	E	36.3	Very low	58.6	Low	166 Å²	166	72.7 Å²	72.7	78%	0.776	42%	0.421	S	S	*	.	H	α-helix	trans	-72.2	-22.6	176.7	-93.6	-174.2	162.4	0	0	112.9	L17 W23	L17-E21 PolarHBondContact O-N 3.18Å; E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 2.92Å
22	T	40.8	Very low	61	Low	103 Å²	103	70.7 Å²	70.7	63%	0.632	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-0.8	179.4	55.9	0	0	0	0	114.4	L19 T20	L19-T22 PolarHBondContact O-OG1 3.06Å; T20-T22 VanDerWaalsContact C-N 3.3Å; T20-T22 PolarHBondContact O-N 2.81Å
23	W	49.2	Very low	63.6	Low	102 Å²	102	64.8 Å²	64.8	39%	0.386	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	7.8	-175.1	-77.9	73.6	0	0	0	113.9	E21 C25 H287 E288 L290	E21-W23 VanDerWaalsContact C-N 3.25Å; E21-W23 PolarHBondContact O-N 2.92Å; W23-C25 PolarHBondContact O-N 3.29Å; W23-H287 WeakPolarHBondContact CH2-O 3.47Å; W23-E288 VanDerWaalsContact CH2-O 3.28Å; W23-E288 WeakPolarHBondContact CH2-O 3.38Å; W23-E288 HydrophobicContact CZ3-CG 4.45Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ2-O 3.24Å
24	A	53.2	Low	66.5	Low	48 Å²	48	61.6 Å²	61.6	40%	0.397	36%	0.36	S	S	.	.	S	Bend	trans	-86.6	103.8	173.8	0	0	0	0	0	107.2	S26 P129	A24-S26 PolarHBondContact O-N 2.94Å; A24-P129 HydrophobicContact CB-CB 3.66Å; A24-P129 HydrophobicContact CB-CG 3.13Å
25	C	72.8	Confident	69.2	Low	53 Å²	53	58.8 Å²	58.8	36%	0.358	34%	0.341	S	S	.	.			trans	-54.5	107.9	-172.7	-56.7	0	0	0	0	111	W23 E288	W23-C25 PolarHBondContact O-N 3.29Å; C25-E288 PolarHBondContact SG-OE1 3.01Å
26	S	90.8	Very high	71.9	Confident	70 Å²	70	59 Å²	59	49%	0.49	34%	0.335	S	S	.	.			trans	-85	146.2	166	56.5	0	0	0	0	109.2	A24 L127	A24-S26 PolarHBondContact O-N 2.94Å; S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 2.96Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å
27	H	95.1	Very high	74.7	Confident	31 Å²	31	57.5 Å²	57.5	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152	177.1	-68	-75.7	0	0	0	110.7	D53 D126 L127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.35Å; H27-D53 IonicContact CE1-OD2 3.43Å; H27-D53 IonicContact CG-OD2 3.53Å; H27-D53 IonicContact ND1-OD1 2.75Å; H27-D53 IonicContact ND1-OD2 3.85Å; H27-D53 PolarHBondContact ND1-OD2 3.5Å; H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; H27-L127 PolarHBondContact N-O 2.83Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 2.67Å; H27-L192 HydrophobicContact CB-CD1 4.46Å; H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å
28	S	97.4	Very high	77.6	Confident	23 Å²	23	55.9 Å²	55.9	16%	0.161	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150	-179.5	65.9	0	0	0	0	111.7	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; S28-D53 PolarHBondContact N-OD1 3.25Å; S28-D53 PolarHBondContact O-N 3.03Å; S28-D53 PolarHBondContact OG-OD1 2.96Å; S28-C125 WeakPolarHBondContact CA-O 3.49Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å
29	M	98.6	Very high	80.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.2	167.4	-175.2	172.3	61.7	0	0	108.3	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.36Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.95Å; M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.35Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.32Å; M29-L192 HydrophobicContact SD-CB 4.42Å; M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å
30	R	98.6	Very high	82.6	Confident	46 Å²	46	55.3 Å²	55.3	17%	0.174	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.5	-175.8	-55.8	-62.9	-178.1	76.7	3.2	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.39Å; R30-F32 HydrophobicContact CB-CE2 3.56Å; R30-F32 HydrophobicContact CB-CZ 3.86Å; R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.16Å; R30-Y51 PolarHBondContact N-O 3.07Å; R30-Y51 PolarHBondContact O-N 2.98Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 IonicContact NE-OD1 3.97Å; R30-D126 PolarHBondContact NE-OD1 3.21Å; R30-D126 VanDerWaalsContact NE-OD1 3.09Å; R30-D126 IonicContact NH2-OD1 3.9Å; R30-D126 PolarHBondContact NH2-OD1 3.24Å; R30-D126 IonicContact NH2-OD2 2.72Å; R30-D126 PolarHBondContact NH2-OD2 3.03Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.37Å
31	Y	98.8	Very high	85.3	Confident	8 Å²	8	61.2 Å²	61.2	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.3	169	-69.7	-92	0	0	0	109.3	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.23Å; M29-Y31 HydrophobicContact CG-CE2 4.12Å; M29-Y31 HydrophobicContact SD-CE2 4.07Å; Y31-Y33 HydrophobicContact CD1-CE1 4.18Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.47Å; Y31-V58 HydrophobicContact CE1-CG1 3.99Å; Y31-M122 VanDerWaalsContact O-CA 3.31Å; Y31-M122 WeakPolarHBondContact O-CA 3.18Å; Y31-Y123 HydrophobicContact CD2-CD2 4.28Å; Y31-Y123 AromaticContact CD2-CE2 3.5Å; Y31-Y123 HydrophobicContact CD2-CE2 3.5Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.5Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.28Å; Y31-Y123 HydrophobicContact CG-CE1 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.93Å; Y31-Y123 HydrophobicContact CG-CE2 3.93Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 3.37Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å
32	F	98.9	Very high	87.9	Confident	87 Å²	87	56.1 Å²	56.1	38%	0.382	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	115.2	178	-56.8	-96.6	0	0	0	109	R30 A48 V49 Y51 W121 M122	R30-F32 HydrophobicContact CB-CD2 4.39Å; R30-F32 HydrophobicContact CB-CE2 3.56Å; R30-F32 HydrophobicContact CB-CZ 3.86Å; F32-A48 WeakPolarHBondContact O-CA 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.65Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; F32-W121 WeakPolarHBondContact CA-O 3.37Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.57Å; F32-M122 HydrophobicContact CE1-CB 4.17Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33	Y	98.8	Very high	90.4	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.027	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142.5	177.4	-60.5	-9.9	0	0	0	109.6	Y31 F46 I47 A48 Y91 Q94 Q120 W121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.18Å; Y31-Y33 HydrophobicContact CG-CE1 4.48Å; Y33-F46 HydrophobicContact CD1-CZ 4.35Å; Y33-F46 HydrophobicContact CD2-CE2 4.27Å; Y33-F46 AromaticContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CE2-CZ 4.49Å; Y33-F46 HydrophobicContact CG-CE2 4.17Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.35Å; Y33-A48 HydrophobicContact CD1-CB 3.21Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.1Å; Y33-Y91 HydrophobicContact CE1-CD1 4.17Å; Y33-Y91 AromaticContact CE1-CE1 3.79Å; Y33-Y91 HydrophobicContact CE1-CE1 3.79Å; Y33-Y91 AromaticContact CZ-CE1 3.83Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.45Å; Y33-Q94 HydrophobicContact CD2-CG 3.66Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.87Å; Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; Y33-W121 HydrophobicContact CD2-CD2 4.46Å; Y33-W121 AromaticContact CD2-CE3 3.49Å; Y33-W121 HydrophobicContact CD2-CE3 3.49Å; Y33-W121 VanDerWaalsContact CD2-CE3 3.49Å; Y33-W121 AromaticContact CD2-CZ3 3.82Å; Y33-W121 HydrophobicContact CD2-CZ3 3.82Å; Y33-W121 AromaticContact CE2-CE3 3.99Å; Y33-W121 HydrophobicContact CE2-CE3 3.99Å; Y33-W121 AromaticContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CG-CE3 4.47Å; Y33-W121 PolarHBondContact N-O 3.04Å; Y33-W121 PolarHBondContact O-N 2.74Å; Y33-Y123 HydrophobicContact CD2-CE1 4.19Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.6Å; Y33-Y123 HydrophobicContact CE2-CE1 3.6Å; Y33-Y123 AromaticContact CZ-CE1 3.72Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 3.44Å
34	T	98.9	Very high	92.6	Very high	37 Å²	37	52.1 Å²	52.1	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	122.1	178	-59.7	0	0	0	0	108.9	V36 F46 I47 T118 L119 Q120	T34-V36 HydrophobicContact CG2-CG2 4.04Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 3.48Å; T34-T118 HydrophobicContact CG2-CG2 4Å; T34-L119 CarbonylContact C-O 3.56Å; T34-L119 WeakPolarHBondContact CA-O 3.49Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å
35	A	98.7	Very high	94.8	Very high	1 Å²	1	51 Å²	51	1%	0.008	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	122	174.5	0	0	0	0	0	109.8	H45 F46 D98 L102 T118 L119	A35-H45 CarbonylContact C-O 3.6Å; A35-H45 VanDerWaalsContact CA-O 3.28Å; A35-H45 WeakPolarHBondContact CA-O 3.47Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; A35-D98 HydrophobicContact CB-CB 3.64Å; A35-L102 HydrophobicContact CB-CD1 3.88Å; A35-T118 WeakPolarHBondContact O-CA 3.28Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 3.17Å
36	V	98.5	Very high	96	Very high	39 Å²	39	48.5 Å²	48.5	24%	0.236	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	114.7	-179.9	-173.3	0	0	0	0	109.1	T34 P44 H45 H117 T118	T34-V36 HydrophobicContact CG2-CG2 4.04Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.4Å; V36-H45 PolarHBondContact N-O 3.43Å; V36-H45 PolarHBondContact O-N 3.2Å; V36-H117 WeakPolarHBondContact CA-O 3.41Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å
37	S	97.7	Very high	96.4	Very high	19 Å²	19	47.5 Å²	47.5	13%	0.133	26%	0.264	C	S	.	.			trans	-67.9	144	174.1	73.7	0	0	0	0	110.5	S116 H117	S37-S116 PolarHBondContact O-OG 3.37Å; S37-H117 PolarHBondContact N-O 2.96Å; S37-H117 PolarHBondContact OG-N 3.14Å; S37-H117 PolarHBondContact OG-O 2.82Å
38	R	95.7	Very high	96.6	Very high	80 Å²	80	46 Å²	46	30%	0.302	26%	0.257	S	S	.	.			trans	-134.3	76.5	-178.2	-60.4	172.1	174.8	178.1	-3.4	110.7	G40 R41 H45 D63	R38-G40 PolarHBondContact O-N 3.18Å; R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.06Å; R38-H45 PolarHBondContact NH2-ND1 2.85Å; R38-D63 IonicContact CZ-OD2 2.65Å; R38-D63 IonicContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 2.87Å; R38-D63 PolarHBondContact NH1-OD2 2.81Å; R38-D63 IonicContact NH2-OD2 3.17Å; R38-D63 PolarHBondContact NH2-OD2 2.89Å
39	P	91.7	Very high	96.6	Very high	54 Å²	54	46 Å²	46	35%	0.351	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	127.9	-177	-27	34.4	0	0	0	112.5	R41 E113 G115	P39-R41 PolarHBondContact O-N 3.18Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 VanDerWaalsContact CG-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; P39-G115 WeakPolarHBondContact CG-O 3.37Å
40	G	89.4	Confident	96.6	Very high	92 Å²	92	46 Å²	46	95%	0.948	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	2.3	-179.1	0	0	0	0	0	115.8	R38	R38-G40 PolarHBondContact O-N 3.18Å
41	R	91.1	Very high	96.6	Very high	218 Å²	218	47.2 Å²	47.2	82%	0.823	26%	0.261	S	S	*	.	S	Bend	trans	-121.6	18.9	179.9	-57.6	-174.8	-179.7	-169	0.4	113.8	R38 P39	R38-R41 HydrophobicContact CB-CB 4.07Å; R38-R41 PolarHBondContact O-N 3.06Å; P39-R41 PolarHBondContact O-N 3.18Å
42	G	90.3	Very high	96.6	Very high	60 Å²	60	46.9 Å²	46.9	62%	0.619	26%	0.26	S	S	*	.	S	Bend	trans	104.4	-152.5	176.9	0	0	0	0	0	113.5
43	E	93.7	Very high	96.5	Very high	95 Å²	95	44.1 Å²	44.1	44%	0.444	25%	0.249	S	C	.	.	S	Bend	trans	-72.3	158.3	179.6	-62.9	-59.1	165.7	0	0	112.2	H45 R99	E43-H45 PolarHBondContact O-N 2.67Å; E43-R99 IonicContact OE1-CZ 2.7Å; E43-R99 IonicContact OE1-NE 3.65Å; E43-R99 IonicContact OE1-NH1 3.66Å; E43-R99 PolarHBondContact OE1-NH1 3.33Å; E43-R99 IonicContact OE1-NH2 3.49Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 PolarHBondContact OE2-NE 3.49Å; E43-R99 IonicContact OE2-NH1 2.73Å; E43-R99 PolarHBondContact OE2-NH1 3.28Å; E43-R99 VanDerWaalsContact OE2-NH1 3.17Å; E43-R99 IonicContact OE2-NH2 3.69Å; E43-R99 PolarHBondContact OE2-NH2 3.41Å
44	P	96.9	Very high	96.3	Very high	26 Å²	26	46.8 Å²	46.8	17%	0.169	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-55.4	137.3	169.5	-24.2	35.1	0	0	0	111.3	V36 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.39Å; V36-P44 WeakPolarHBondContact O-CB 3.4Å; P44-R99 HydrophobicContact CG-CB 4.21Å; P44-R99 HydrophobicContact CG-CG 4.09Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.86Å
45	H	98.4	Very high	96.2	Very high	23 Å²	23	46.5 Å²	46.5	11%	0.106	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	126	173.5	175.7	-150.2	0	0	0	109.8	A35 V36 R38 E43 I47 D61 S62 D63	A35-H45 CarbonylContact C-O 3.6Å; A35-H45 VanDerWaalsContact CA-O 3.28Å; A35-H45 WeakPolarHBondContact CA-O 3.47Å; V36-H45 PolarHBondContact N-O 3.43Å; V36-H45 PolarHBondContact O-N 3.2Å; R38-H45 PolarHBondContact NH2-ND1 2.85Å; E43-H45 PolarHBondContact O-N 2.67Å; H45-I47 VanDerWaalsContact CE1-CD1 3.45Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.4Å; H45-D61 IonicContact CD2-OD1 3.49Å; H45-D61 IonicContact CE1-OD1 2.98Å; H45-D61 IonicContact NE2-OD1 3.81Å; H45-D61 PolarHBondContact NE2-OD1 2.88Å; H45-D61 IonicContact NE2-OD2 3.71Å; H45-S62 PolarHBondContact CD2-OG 3.07Å; H45-D63 IonicContact CD2-OD1 3.89Å; H45-D63 PolarHBondContact CD2-OD1 3.16Å; H45-D63 IonicContact CD2-OD2 3.49Å; H45-D63 PolarHBondContact CD2-OD2 2.86Å; H45-D63 IonicContact CE1-OD2 3.35Å; H45-D63 IonicContact CG-OD2 2.95Å; H45-D63 IonicContact ND1-OD2 3.55Å; H45-D63 IonicContact NE2-OD2 2.75Å
46	F	98.7	Very high	96.1	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.7	-178.7	176.9	-92.6	0	0	0	110.1	Y33 T34 A35 A48 F60 S62 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.35Å; Y33-F46 HydrophobicContact CD2-CE2 4.27Å; Y33-F46 AromaticContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CD2-CZ 3.96Å; Y33-F46 HydrophobicContact CE2-CZ 4.49Å; Y33-F46 HydrophobicContact CG-CE2 4.17Å; Y33-F46 AromaticContact CG-CZ 3.88Å; Y33-F46 HydrophobicContact CG-CZ 3.88Å; T34-F46 WeakPolarHBondContact O-CA 3.32Å; A35-F46 HydrophobicContact CB-CD2 4.25Å; F46-A48 HydrophobicContact CE1-CB 3.73Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 PolarHBondContact O-N 2.84Å; F46-S62 PolarHBondContact O-OG 2.93Å; F46-Q94 HydrophobicContact CE2-CB 4.31Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.87Å; F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.77Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CE1-CB 4.4Å; F46-A95 HydrophobicContact CG-CB 3.61Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.42Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.31Å
47	I	98.8	Very high	96.1	Very high	48 Å²	48	47 Å²	47	25%	0.246	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	135.8	172.1	-61.6	165	0	0	0	108	Y33 T34 H45 V49 F60	Y33-I47 CarbonylContact C-O 3.59Å; Y33-I47 WeakPolarHBondContact CA-O 3.35Å; T34-I47 PolarHBondContact N-O 3.02Å; T34-I47 PolarHBondContact O-N 3.48Å; H45-I47 VanDerWaalsContact CE1-CD1 3.45Å; H45-I47 WeakPolarHBondContact CE1-CD1 3.4Å; I47-V49 HydrophobicContact CG2-CG1 4.27Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å
48	A	98.8	Very high	96.1	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.5	170.4	0	0	0	0	0	110.1	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.43Å; Y33-A48 HydrophobicContact CD1-CB 3.21Å; Y33-A48 HydrophobicContact CE1-CB 3.33Å; Y33-A48 HydrophobicContact CG-CB 4.1Å; F46-A48 HydrophobicContact CE1-CB 3.73Å; F46-A48 HydrophobicContact CZ-CB 3.92Å; A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.31Å; A48-F60 HydrophobicContact CB-CB 4.21Å; A48-F60 PolarHBondContact N-O 3.28Å; A48-F60 PolarHBondContact O-N 3.35Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.68Å; A48-Y91 HydrophobicContact CB-CG 4.45Å
49	V	98.8	Very high	96.3	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.2	173.4	-62.1	0	0	0	0	109.9	Y31 F32 I47 Y51 V58 R59	Y31-V49 CarbonylContact C-O 3.53Å; Y31-V49 WeakPolarHBondContact CA-O 3.43Å; F32-V49 HydrophobicContact CB-CG2 3.84Å; F32-V49 HydrophobicContact CD2-CG2 4.32Å; F32-V49 PolarHBondContact N-O 2.8Å; F32-V49 PolarHBondContact O-N 2.65Å; I47-V49 HydrophobicContact CG2-CG1 4.27Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; V49-R59 HydrophobicContact CG1-CG 4.27Å
50	G	98.6	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.4	175.7	0	0	0	0	0	110.9	R30 Q56 F57 V58	R30-G50 CarbonylContact O-C 3.55Å; R30-G50 WeakPolarHBondContact O-CA 3.16Å; G50-Q56 WeakPolarHBondContact O-CA 2.93Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.89Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 3.38Å
51	Y	98.6	Very high	97	Very high	72 Å²	72	40.6 Å²	40.6	28%	0.282	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.1	-179.3	-75.2	-102.2	0	0	0	110.2	M29 R30 F32 V49 T55 Q56	M29-Y51 CarbonylContact C-O 3.57Å; M29-Y51 WeakPolarHBondContact CA-O 3.36Å; R30-Y51 PolarHBondContact N-O 3.07Å; R30-Y51 PolarHBondContact O-N 2.98Å; F32-Y51 HydrophobicContact CD2-CD2 4.12Å; F32-Y51 HydrophobicContact CE2-CD2 4.12Å; V49-Y51 HydrophobicContact CB-CE2 4.13Å; V49-Y51 HydrophobicContact CG2-CD2 4.38Å; V49-Y51 HydrophobicContact CG2-CE2 3.83Å; Y51-T55 WeakPolarHBondContact CA-O 3.03Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å
52	V	98.1	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.1	156	176.6	0	0	0	0	105.8	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.52Å; S28-V52 VanDerWaalsContact O-CA 3.29Å; S28-V52 WeakPolarHBondContact O-CA 3.41Å; M29-V52 HydrophobicContact CG-CG2 4.32Å; V52-D54 PolarHBondContact O-N 3.06Å; V52-T55 PolarHBondContact N-O 3.29Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.42Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å
53	D	95.6	Very high	97.7	Very high	30 Å²	30	33.1 Å²	33.1	16%	0.16	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-126.1	-167.1	-53.9	-40.5	0	0	0	110.3	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.24Å; H27-D53 WeakPolarHBondContact CA-OD1 3.35Å; H27-D53 IonicContact CE1-OD2 3.43Å; H27-D53 IonicContact CG-OD2 3.53Å; H27-D53 IonicContact ND1-OD1 2.75Å; H27-D53 IonicContact ND1-OD2 3.85Å; H27-D53 PolarHBondContact ND1-OD2 3.5Å; S28-D53 PolarHBondContact N-OD1 3.25Å; S28-D53 PolarHBondContact O-N 3.03Å; S28-D53 PolarHBondContact OG-OD1 2.96Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.96Å
54	D	95.5	Very high	97.9	Very high	63 Å²	63	30.3 Å²	30.3	34%	0.337	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	12.6	179.3	-60.9	-56	0	0	0	113.6	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 3.06Å; D54-Y233 HydrophobicContact CB-CE2 4.11Å; D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 HydrophobicContact CB-CB 4.27Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.16Å; D54-A235 PolarHBondContact OD2-N 2.9Å; D54-F265 HydrophobicContact CB-CE2 3.73Å; D54-F265 HydrophobicContact CB-CZ 3.67Å
55	T	96.4	Very high	97.9	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.5	-176.5	-60	0	0	0	0	112.2	Y51 V52 D53 F57 A73 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.03Å; Y51-T55 VanDerWaalsContact CD1-C 3.46Å; V52-T55 PolarHBondContact N-O 3.29Å; V52-T55 WeakPolarHBondContact O-CB 3.36Å; V52-T55 PolarHBondContact O-N 3.42Å; D53-T55 VanDerWaalsContact C-N 3.32Å; D53-T55 PolarHBondContact O-N 2.96Å; T55-F57 PolarHBondContact O-N 2.99Å; T55-A73 HydrophobicContact CG2-CB 4.42Å; T55-L203 HydrophobicContact CG2-CD2 4.14Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.33Å; T55-Y233 PolarHBondContact OG1-OH 2.96Å; T55-Y233 VanDerWaalsContact OG1-OH 3.06Å
56	Q	97.6	Very high	97.8	Very high	50 Å²	50	37.4 Å²	37.4	23%	0.234	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	128.2	173.5	-165.7	-179.2	0.3	0	0	110.2	G50 Y51 V58 R72	G50-Q56 WeakPolarHBondContact O-CA 2.93Å; Y51-Q56 HydrophobicContact CD1-CB 3.99Å; Y51-Q56 VanDerWaalsContact CD1-N 3.27Å; Y51-Q56 HydrophobicContact CD2-CG 4.37Å; Y51-Q56 HydrophobicContact CE1-CB 3.49Å; Y51-Q56 VanDerWaalsContact CE1-CB 3.49Å; Y51-Q56 HydrophobicContact CE1-CG 4.21Å; Y51-Q56 HydrophobicContact CE2-CB 4.12Å; Y51-Q56 HydrophobicContact CE2-CG 3.89Å; Y51-Q56 HydrophobicContact CG-CB 4.48Å; Q56-V58 PolarHBondContact NE2-O 2.03Å; Q56-V58 VanDerWaalsContact NE2-O 3.17Å; Q56-R72 HydrophobicContact CB-CB 4.44Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.48Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-20.1	179.1	75.8	-88.1	0	0	0	114	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.44Å; M29-F57 HydrophobicContact SD-CZ 4.44Å; Y31-F57 HydrophobicContact CE1-CZ 4Å; Y31-F57 AromaticContact CZ-CZ 3.75Å; Y31-F57 WeakPolarHBondContact OH-CZ 3.47Å; G50-F57 WeakPolarHBondContact O-CD1 3.34Å; G50-F57 PolarHBondContact O-N 2.89Å; V52-F57 HydrophobicContact CG2-CD1 4.01Å; V52-F57 HydrophobicContact CG2-CE1 4.06Å; T55-F57 PolarHBondContact O-N 2.99Å; F57-R72 PolarHBondContact O-N 2.79Å; F57-A73 HydrophobicContact CB-CB 4.09Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.39Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; F57-Y195 AromaticContact CE2-CE2 3.82Å; F57-Y195 HydrophobicContact CE2-CE2 3.82Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.39Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	148.8	179.2	66.5	0	0	0	0	112	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 3.99Å; V49-V58 WeakPolarHBondContact CA-O 3.38Å; G50-V58 PolarHBondContact N-O 2.8Å; G50-V58 PolarHBondContact O-N 3.38Å; Q56-V58 PolarHBondContact NE2-O 2.03Å; Q56-V58 VanDerWaalsContact NE2-O 3.17Å; V58-E70 WeakPolarHBondContact CA-O 3.43Å; V58-W84 HydrophobicContact CG2-CZ3 4.06Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.46Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.34Å
59	R	98.4	Very high	97.5	Very high	76 Å²	76	44.1 Å²	44.1	29%	0.287	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.8	170.4	-177.9	177.4	170.7	111.5	3.3	110.5	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.59Å; A48-R59 VanDerWaalsContact O-CA 3.31Å; A48-R59 WeakPolarHBondContact O-CA 3.31Å; V49-R59 HydrophobicContact CG1-CG 4.27Å; R59-D61 IonicContact CZ-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 2.93Å; R59-D61 PolarHBondContact NH2-OD2 2.82Å; R59-E70 PolarHBondContact N-O 2.84Å; R59-E70 PolarHBondContact O-N 3.35Å; R59-R72 HydrophobicContact CB-CG 3.91Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.3	163.9	175.3	-81.8	0	0	0	109	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.71Å; F46-F60 HydrophobicContact CD1-CD1 3.71Å; F46-F60 AromaticContact CD1-CE1 3.76Å; F46-F60 HydrophobicContact CD1-CE1 3.76Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.21Å; I47-F60 WeakPolarHBondContact CA-O 3.1Å; A48-F60 HydrophobicContact CB-CB 4.21Å; A48-F60 PolarHBondContact N-O 3.28Å; A48-F60 PolarHBondContact O-N 3.35Å; F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.34Å; F60-Y91 HydrophobicContact CB-CD1 4.31Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; F60-K92 HydrophobicContact CE2-CG 4.22Å; F60-K92 HydrophobicContact CZ-CG 4.03Å
61	D	98.6	Very high	97.5	Very high	32 Å²	32	47.9 Å²	47.9	17%	0.171	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	119.3	179.4	-165.2	-36.8	0	0	0	109.1	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.49Å; H45-D61 IonicContact CE1-OD1 2.98Å; H45-D61 IonicContact NE2-OD1 3.81Å; H45-D61 PolarHBondContact NE2-OD1 2.88Å; H45-D61 IonicContact NE2-OD2 3.71Å; R59-D61 IonicContact CZ-OD2 2.75Å; R59-D61 IonicContact NH2-OD2 2.93Å; R59-D61 PolarHBondContact NH2-OD2 2.82Å; D61-D63 PolarHBondContact O-N 2.9Å; D61-D63 PolarHBondContact OD1-N 2.8Å; D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 2.84Å
62	S	98.2	Very high	97.4	Very high	34 Å²	34	50.2 Å²	50.2	24%	0.238	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.3	-178.1	71	0	0	0	0	113.6	H45 F46 A64 P67	H45-S62 PolarHBondContact CD2-OG 3.07Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 PolarHBondContact O-N 2.84Å; F46-S62 PolarHBondContact O-OG 2.93Å; S62-A64 VanDerWaalsContact C-N 3.34Å; S62-P67 WeakPolarHBondContact O-CG 3.21Å
63	D	97.3	Very high	97.3	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.8	179.6	-72.8	1.5	0	0	0	112.1	R38 H45 D61	R38-D63 IonicContact CZ-OD2 2.65Å; R38-D63 IonicContact NH1-OD1 2.89Å; R38-D63 IonicContact NH1-OD2 2.87Å; R38-D63 PolarHBondContact NH1-OD2 2.81Å; R38-D63 IonicContact NH2-OD2 3.17Å; R38-D63 PolarHBondContact NH2-OD2 2.89Å; H45-D63 IonicContact CD2-OD1 3.89Å; H45-D63 PolarHBondContact CD2-OD1 3.16Å; H45-D63 IonicContact CD2-OD2 3.49Å; H45-D63 PolarHBondContact CD2-OD2 2.86Å; H45-D63 IonicContact CE1-OD2 3.35Å; H45-D63 IonicContact CG-OD2 2.95Å; H45-D63 IonicContact ND1-OD2 3.55Å; H45-D63 IonicContact NE2-OD2 2.75Å; D61-D63 PolarHBondContact O-N 2.9Å; D61-D63 PolarHBondContact OD1-N 2.8Å
64	A	97.2	Very high	97.3	Very high	35 Å²	35	53.9 Å²	53.9	29%	0.289	30%	0.302	S	S	.	.	S	Bend	trans	-61.5	148.6	174.6	0	0	0	0	0	111.2	D61 S62 S66 P67	D61-A64 HydrophobicContact CB-CB 4.32Å; D61-A64 WeakPolarHBondContact O-CB 3.47Å; D61-A64 PolarHBondContact O-N 2.84Å; S62-A64 VanDerWaalsContact C-N 3.34Å; A64-S66 PolarHBondContact O-N 3.32Å; A64-S66 VanDerWaalsContact O-N 3.13Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.25Å
65	A	96.7	Very high	97.3	Very high	117 Å²	117	51.6 Å²	51.6	97%	0.967	29%	0.288	S	S	*	.	S	Bend	trans	-58.5	-30	179.5	0	0	0	0	0	113.2
66	S	95.8	Very high	97.3	Very high	82 Å²	82	50.1 Å²	50.1	57%	0.573	28%	0.28	S	S	*	.	S	Bend	trans	-135.4	89.3	171.5	-169.5	0	0	0	0	109.4	A64 R68	A64-S66 PolarHBondContact O-N 3.32Å; A64-S66 VanDerWaalsContact O-N 3.13Å; S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å
67	P	96.8	Very high	97.2	Very high	36 Å²	36	53.6 Å²	53.6	23%	0.234	30%	0.296	C	S	.	.			trans	-64.6	111.8	-175.5	-24.1	35.5	0	0	0	111.8	F60 S62 A64 K92	F60-P67 HydrophobicContact CE2-CB 3.86Å; F60-P67 HydrophobicContact CZ-CB 3.66Å; S62-P67 WeakPolarHBondContact O-CG 3.21Å; A64-P67 WeakPolarHBondContact O-CD 3.33Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.25Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 2.94Å
68	R	97.6	Very high	97.1	Very high	149 Å²	149	59.5 Å²	59.5	56%	0.562	32%	0.323	S	S	*	.			trans	-147.2	159.5	177.5	64.1	-176.1	174.6	172.9	-0.2	110.7	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.49Å; F60-R68 WeakPolarHBondContact CD2-O 3.34Å; S66-R68 PolarHBondContact O-N 2.93Å; S66-R68 VanDerWaalsContact O-N 3.09Å; R68-E70 HydrophobicContact CG-CG 4.26Å; R68-E70 PolarHBondContact O-N 3.18Å; R68-T88 HydrophobicContact CB-CG2 4.19Å
69	G	97.4	Very high	97	Very high	5 Å²	5	60 Å²	60	5%	0.052	33%	0.326	C	S	.	.			trans	-65.5	129.1	168.6	0	0	0	0	0	109.5	T88	G69-T88 PolarHBondContact N-OG1 3.31Å
70	E	97.7	Very high	96.9	Very high	56 Å²	56	58.1 Å²	58.1	26%	0.262	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.7	-178.2	-64.4	179.3	160	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.43Å; R59-E70 PolarHBondContact N-O 2.84Å; R59-E70 PolarHBondContact O-N 3.35Å; R68-E70 HydrophobicContact CG-CG 4.26Å; R68-E70 PolarHBondContact O-N 3.18Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH2 2.73Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
71	P	97.9	Very high	96.8	Very high	48 Å²	48	62.6 Å²	62.6	31%	0.312	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	144.3	173.5	28.5	-33.9	0	0	0	110.6	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.77Å; P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å
72	R	97.4	Very high	96.7	Very high	121 Å²	121	68.9 Å²	68.9	46%	0.457	39%	0.387	S	S	.	.			trans	-126.3	-0.4	174.5	-60.5	-64.2	171.2	-177.9	-0.5	113.2	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CB-CB 4.44Å; Q56-R72 HydrophobicContact CG-CB 4.1Å; Q56-R72 HydrophobicContact CG-CG 4.33Å; Q56-R72 CarbonylContact O-C 3.48Å; F57-R72 PolarHBondContact O-N 2.79Å; R59-R72 HydrophobicContact CB-CG 3.91Å; E70-R72 IonicContact OE2-CZ 3.09Å; E70-R72 IonicContact OE2-NH2 2.73Å; E70-R72 PolarHBondContact OE2-NH2 2.88Å
73	A	95.9	Very high	96.7	Very high	4 Å²	4	67.6 Å²	67.6	3%	0.033	38%	0.377	C	S	.	.	S	Bend	trans	-137.9	144	173.1	0	0	0	0	0	111	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.42Å; F57-A73 HydrophobicContact CB-CB 4.09Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.4Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.94Å
74	P	95.9	Very high	96.7	Very high	102 Å²	102	65.2 Å²	65.2	66%	0.662	36%	0.362	S	S	*	.	H	α-helix	trans	-58.5	-37.7	-177.1	-26.5	34.9	0	0	0	114	V76 E77	P74-V76 PolarHBondContact O-N 2.97Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 3.12Å; P74-E77 VanDerWaalsContact O-N 3.09Å
75	W	95.7	Very high	96.7	Very high	15 Å²	15	68.7 Å²	68.7	6%	0.057	38%	0.375	C	S	.	.	H	α-helix	trans	-69.8	-13.6	-175.9	53.5	-106.5	0	0	0	114.5	V52 F57 A73 Q78 Y195 N198 T202 L203	V52-W75 HydrophobicContact CB-CH2 4.39Å; V52-W75 HydrophobicContact CB-CZ2 4.42Å; V52-W75 HydrophobicContact CG2-CH2 3.86Å; V52-W75 HydrophobicContact CG2-CZ2 4.38Å; F57-W75 HydrophobicContact CB-CH2 3.12Å; F57-W75 HydrophobicContact CB-CZ2 3.37Å; F57-W75 HydrophobicContact CB-CZ3 3.92Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 AromaticContact CD2-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CH2 3.92Å; F57-W75 HydrophobicContact CD2-CZ3 4.17Å; F57-W75 AromaticContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CH2 3.42Å; F57-W75 VanDerWaalsContact CG-CH2 3.42Å; F57-W75 HydrophobicContact CG-CZ2 4.12Å; F57-W75 HydrophobicContact CG-CZ3 4.12Å; A73-W75 VanDerWaalsContact C-N 3.3Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 3.98Å; A73-W75 PolarHBondContact O-N 3.4Å; W75-Q78 WeakPolarHBondContact O-CG 3.47Å; W75-Y195 HydrophobicContact CE3-CD1 4.22Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; W75-N198 HydrophobicContact CB-CB 4.41Å; W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.43Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.19Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å
76	V	97.1	Very high	96.8	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-94.4	-16	172.6	72.7	0	0	0	0	112.2	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.35Å; F57-V76 HydrophobicContact CD2-CB 4.39Å; F57-V76 HydrophobicContact CD2-CG1 4.46Å; F57-V76 HydrophobicContact CD2-CG2 4.09Å; F57-V76 VanDerWaalsContact O-CG1 3.26Å; F57-V76 WeakPolarHBondContact O-CG1 3.49Å; P71-V76 HydrophobicContact CB-CG1 3.77Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.94Å; P74-V76 PolarHBondContact O-N 2.97Å; V76-Q78 PolarHBondContact O-N 2.7Å; V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.36Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 2.71Å; V76-Y83 HydrophobicContact CG2-CE1 4.1Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.26Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.49Å; V76-Y195 HydrophobicContact CG2-CE1 4.41Å
77	E	95.5	Very high	96.9	Very high	123 Å²	123	64.3 Å²	64.3	58%	0.575	32%	0.321	S	S	*	.	H	α-helix	trans	-63.5	-25.9	179.9	-65	-177.2	-177.2	0	0	112.8	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.72Å; P71-E77 HydrophobicContact CG-CG 3.95Å; P74-E77 WeakPolarHBondContact O-CB 3.3Å; P74-E77 PolarHBondContact O-N 3.12Å; P74-E77 VanDerWaalsContact O-N 3.09Å; E77-E79 PolarHBondContact O-N 3.22Å
78	Q	94.5	Very high	97	Very high	123 Å²	123	63.2 Å²	63.2	58%	0.575	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.1	175.4	66.9	-179	12.5	0	0	114	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.47Å; V76-Q78 PolarHBondContact O-N 2.7Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.36Å; Q78-N198 PolarHBondContact NE2-OD1 2.87Å
79	E	96.4	Very high	97	Very high	12 Å²	12	61 Å²	61	6%	0.056	31%	0.31	C	S	.	.	S	Bend	trans	-65.5	135.7	174.6	-66.5	-62.3	162.1	0	0	110.9	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CG 3.89Å; V76-E79 VanDerWaalsContact O-CB 3.32Å; V76-E79 WeakPolarHBondContact O-CB 3.36Å; V76-E79 WeakPolarHBondContact O-CG 3.44Å; V76-E79 PolarHBondContact O-N 2.71Å; E77-E79 PolarHBondContact O-N 3.22Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; E79-W84 PolarHBondContact O-NE1 2.83Å; E79-R194 IonicContact OE1-CZ 3.88Å; E79-R194 IonicContact OE1-NE 3.45Å; E79-R194 PolarHBondContact OE1-NE 3.39Å; E79-R194 IonicContact OE1-NH2 3.51Å; E79-R194 PolarHBondContact OE1-NH2 2.95Å; E79-R194 IonicContact OE2-CZ 3.56Å; E79-R194 IonicContact OE2-NE 2.77Å; E79-R194 IonicContact OE2-NH2 3.91Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E79-N198 PolarHBondContact OE1-ND2 2.93Å
80	G	95.8	Very high	97	Very high	35 Å²	35	64.1 Å²	64.1	36%	0.361	32%	0.322	S	S	.	.			trans	-70	169.2	-174.5	0	0	0	0	0	114.2	E82 Y83 W84	G80-E82 PolarHBondContact O-N 2.97Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.48Å; G80-W84 PolarHBondContact O-N 3.35Å
81	P	96.9	Very high	97	Very high	97 Å²	97	61.4 Å²	61.4	63%	0.63	31%	0.31	S	S	*	.	H	α-helix	trans	-57.5	-35.1	-178.5	22.8	-33.5	0	0	0	113.2	Y83 W84 D85	P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.42Å; P81-W84 PolarHBondContact O-N 3.4Å; P81-W84 VanDerWaalsContact O-N 3.17Å; P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.44Å
82	E	97.4	Very high	97.1	Very high	164 Å²	164	63.1 Å²	63.1	77%	0.766	31%	0.312	S	S	*	.	H	α-helix	trans	-60.6	-35.2	177.6	-63	-178.4	178.6	0	0	113	G80 R86	G80-E82 PolarHBondContact O-N 2.97Å; E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 3.04Å
83	Y	97.5	Very high	97.1	Very high	7 Å²	7	65.3 Å²	65.3	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-64.6	-52.4	174.3	168.9	-91.8	0	0	0	109.9	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.1Å; E79-Y83 HydrophobicContact CB-CD1 3.49Å; E79-Y83 VanDerWaalsContact CB-CD1 3.49Å; E79-Y83 HydrophobicContact CB-CD2 4.47Å; E79-Y83 HydrophobicContact CB-CE1 4.09Å; E79-Y83 HydrophobicContact CB-CG 3.72Å; E79-Y83 HydrophobicContact CG-CD1 4.03Å; E79-Y83 HydrophobicContact CG-CD2 4.41Å; E79-Y83 HydrophobicContact CG-CE1 4.22Å; E79-Y83 HydrophobicContact CG-CG 4.14Å; G80-Y83 WeakPolarHBondContact O-CB 3.4Å; G80-Y83 PolarHBondContact O-N 3.48Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 3.42Å; Y83-D85 PolarHBondContact O-N 3.05Å; Y83-R86 PolarHBondContact O-N 3.37Å; Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.41Å; Y83-E87 PolarHBondContact O-N 2.97Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3.2Å
84	W	98	Very high	97.2	Very high	38 Å²	38	67.2 Å²	67.2	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-38.3	-177.4	-67.6	112.2	0	0	0	113.1	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.06Å; P71-W84 HydrophobicContact CB-CH2 3.64Å; P71-W84 HydrophobicContact CB-CZ2 3.8Å; P71-W84 HydrophobicContact CG-CH2 4.26Å; P71-W84 HydrophobicContact CG-CZ2 4.25Å; V76-W84 HydrophobicContact CG1-CH2 4.04Å; V76-W84 HydrophobicContact CG1-CZ2 4.26Å; V76-W84 HydrophobicContact CG2-CH2 3.97Å; V76-W84 HydrophobicContact CG2-CZ2 4.01Å; V76-W84 WeakPolarHBondContact O-CZ2 3.49Å; E79-W84 PolarHBondContact O-NE1 2.83Å; G80-W84 PolarHBondContact O-N 3.35Å; P81-W84 PolarHBondContact O-N 3.4Å; P81-W84 VanDerWaalsContact O-N 3.17Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.95Å
85	D	98	Very high	97.3	Very high	108 Å²	108	63.2 Å²	63.2	58%	0.578	30%	0.304	S	S	*	.	H	α-helix	trans	-64.4	-46.7	174.4	-75.7	-22.2	0	0	0	110.7	P81 Y83 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.39Å; P81-D85 PolarHBondContact O-N 3.44Å; Y83-D85 PolarHBondContact O-N 3.05Å; D85-T88 PolarHBondContact O-N 2.94Å; D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.17Å; D85-Q89 PolarHBondContact O-N 3.49Å
86	R	97.5	Very high	97.4	Very high	102 Å²	102	67.7 Å²	67.7	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-47.4	178.2	-176.4	-177.8	65.6	-141.1	-3.9	112	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.47Å; E82-R86 PolarHBondContact O-N 3.04Å; Y83-R86 PolarHBondContact O-N 3.37Å; R86-Q89 PolarHBondContact O-N 3.31Å; R86-K90 WeakPolarHBondContact O-CG 3.1Å; R86-K90 PolarHBondContact O-N 3.46Å
87	E	97.7	Very high	97.5	Very high	5 Å²	5	69.7 Å²	69.7	2%	0.023	34%	0.342	C	S	.	.	H	α-helix	trans	-65.2	-42	178.8	-64.6	-44.1	117.1	0	0	111.1	Y83 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.37Å; Y83-E87 HydrophobicContact CD2-CG 4.18Å; Y83-E87 HydrophobicContact CE1-CG 3.98Å; Y83-E87 HydrophobicContact CE2-CG 3.75Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.41Å; Y83-E87 PolarHBondContact O-N 2.97Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.41Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 VanDerWaalsContact O-N 3.12Å; E87-K90 IonicContact OE1-NZ 3.31Å; E87-K90 PolarHBondContact OE1-NZ 3.31Å; E87-K90 WeakPolarHBondContact OE2-CD 3.2Å; E87-K90 IonicContact OE2-NZ 3.78Å; E87-K90 PolarHBondContact OE2-NZ 3.18Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.23Å; E87-Y91 PolarHBondContact O-N 3Å
88	T	98.4	Very high	97.6	Very high	13 Å²	13	64.1 Å²	64.1	8%	0.08	32%	0.317	C	S	.	.	H	α-helix	trans	-57.4	-44.2	173.9	-64.1	0	0	0	0	112.1	R68 G69 W84 D85 Y91 K92	R68-T88 HydrophobicContact CB-CG2 4.19Å; G69-T88 PolarHBondContact N-OG1 3.31Å; W84-T88 WeakPolarHBondContact O-CB 3.3Å; W84-T88 PolarHBondContact O-N 3.36Å; W84-T88 PolarHBondContact O-OG1 2.95Å; D85-T88 PolarHBondContact O-N 2.94Å; T88-Y91 PolarHBondContact O-N 3.19Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 2.94Å
89	Q	98.3	Very high	97.7	Very high	104 Å²	104	61.9 Å²	61.9	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-68.2	-34.7	177.3	-68.3	-58.4	-28.2	0	0	112.6	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.3Å; D85-Q89 WeakPolarHBondContact O-CG 3.17Å; D85-Q89 PolarHBondContact O-N 3.49Å; R86-Q89 PolarHBondContact O-N 3.31Å; E87-Q89 VanDerWaalsContact C-N 3.32Å; E87-Q89 PolarHBondContact O-N 3.41Å; Q89-R93 WeakPolarHBondContact O-CB 3.46Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.89Å
90	K	97.7	Very high	97.8	Very high	69 Å²	69	64.8 Å²	64.8	30%	0.3	32%	0.321	S	S	.	.	H	α-helix	trans	-61.2	-50.8	171.9	-74	173.4	179	172.8	0	111	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.1Å; R86-K90 PolarHBondContact O-N 3.46Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 2.87Å; E87-K90 VanDerWaalsContact O-N 3.12Å; E87-K90 IonicContact OE1-NZ 3.31Å; E87-K90 PolarHBondContact OE1-NZ 3.31Å; E87-K90 WeakPolarHBondContact OE2-CD 3.2Å; E87-K90 IonicContact OE2-NZ 3.78Å; E87-K90 PolarHBondContact OE2-NZ 3.18Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.93Å; K90-R93 PolarHBondContact O-N 3.27Å; K90-Q94 PolarHBondContact O-N 2.85Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.7	-42.8	178.5	-61.8	-49	0	0	0	112.4	Y33 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.17Å; Y33-Y91 AromaticContact CE1-CE1 3.79Å; Y33-Y91 HydrophobicContact CE1-CE1 3.79Å; Y33-Y91 AromaticContact CZ-CE1 3.83Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.45Å; A48-Y91 HydrophobicContact CB-CD1 3.61Å; A48-Y91 HydrophobicContact CB-CE1 3.68Å; A48-Y91 HydrophobicContact CB-CG 4.45Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.46Å; V58-Y91 HydrophobicContact CG2-CE2 4.2Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.34Å; F60-Y91 HydrophobicContact CB-CD1 4.31Å; F60-Y91 HydrophobicContact CB-CD2 3.56Å; F60-Y91 HydrophobicContact CB-CE2 4.02Å; F60-Y91 HydrophobicContact CB-CG 3.74Å; F60-Y91 HydrophobicContact CD1-CG 4.38Å; F60-Y91 AromaticContact CD2-CD2 3.71Å; F60-Y91 HydrophobicContact CD2-CD2 3.71Å; F60-Y91 AromaticContact CD2-CG 3.96Å; F60-Y91 HydrophobicContact CD2-CG 3.96Å; F60-Y91 AromaticContact CG-CD2 3.81Å; F60-Y91 HydrophobicContact CG-CD2 3.81Å; F60-Y91 AromaticContact CG-CG 3.78Å; F60-Y91 HydrophobicContact CG-CG 3.78Å; E87-Y91 HydrophobicContact CB-CE2 4Å; E87-Y91 WeakPolarHBondContact O-CD2 3.23Å; E87-Y91 PolarHBondContact O-N 3Å; T88-Y91 PolarHBondContact O-N 3.19Å; Y91-R93 PolarHBondContact O-N 3.24Å; Y91-Q94 PolarHBondContact O-N 3Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.44Å
92	K	98.3	Very high	97.9	Very high	84 Å²	84	61 Å²	61	37%	0.365	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-41.5	176.8	-74.3	178.8	179	176.4	0	112.8	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.22Å; F60-K92 HydrophobicContact CZ-CG 4.03Å; P67-K92 WeakPolarHBondContact O-CE 3.47Å; P67-K92 PolarHBondContact O-NZ 2.94Å; T88-K92 HydrophobicContact CG2-CD 4.16Å; T88-K92 WeakPolarHBondContact O-CG 3.43Å; T88-K92 PolarHBondContact O-N 2.94Å; K90-K92 VanDerWaalsContact C-N 3.34Å; K90-K92 PolarHBondContact O-N 2.93Å; K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.94Å
93	R	98.3	Very high	97.9	Very high	167 Å²	167	60.1 Å²	60.1	63%	0.63	28%	0.28	S	S	*	.	H	α-helix	trans	-64.9	-41.6	174.9	-75.6	-173	-65.7	-177.4	2.1	111.4	Q89 K90 Y91 Q96 A97	Q89-R93 WeakPolarHBondContact O-CB 3.46Å; Q89-R93 WeakPolarHBondContact O-CG 3.41Å; Q89-R93 PolarHBondContact O-N 2.89Å; K90-R93 PolarHBondContact O-N 3.27Å; Y91-R93 PolarHBondContact O-N 3.24Å; R93-Q96 PolarHBondContact O-N 2.98Å; R93-A97 PolarHBondContact O-N 3.4Å
94	Q	98.4	Very high	97.9	Very high	44 Å²	44	63.1 Å²	63.1	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-64.8	-43.5	177.8	-169.4	61.4	39.3	0	0	112.2	Y33 F46 K90 Y91 Q96 A97 D98 W121	Y33-Q94 HydrophobicContact CD2-CG 3.66Å; Y33-Q94 HydrophobicContact CE2-CB 4.42Å; Y33-Q94 HydrophobicContact CE2-CG 3.87Å; F46-Q94 HydrophobicContact CE2-CB 4.31Å; F46-Q94 HydrophobicContact CE2-CG 3.85Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.87Å; K90-Q94 PolarHBondContact O-N 2.85Å; Y91-Q94 PolarHBondContact O-N 3Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q94-A97 CarbonylContact O-C 3.47Å; Q94-A97 WeakPolarHBondContact O-CA 3.31Å; Q94-A97 WeakPolarHBondContact O-CB 3.34Å; Q94-A97 PolarHBondContact O-N 2.97Å; Q94-D98 PolarHBondContact NE2-OD1 2.96Å; Q94-D98 PolarHBondContact O-N 3.46Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.45Å; Q94-W121 HydrophobicContact CG-CE3 4.37Å; Q94-W121 HydrophobicContact CG-CZ3 4.17Å
95	A	98.3	Very high	97.9	Very high	18 Å²	18	61.8 Å²	61.8	15%	0.149	29%	0.292	C	S	.	.	H	α-helix	trans	-56.4	-38.3	175.9	0	0	0	0	0	112.3	F46 Y91 R99	F46-A95 HydrophobicContact CB-CB 3.74Å; F46-A95 HydrophobicContact CD1-CB 3.77Å; F46-A95 HydrophobicContact CD2-CB 4.15Å; F46-A95 HydrophobicContact CE1-CB 4.4Å; F46-A95 HydrophobicContact CG-CB 3.61Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.44Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.34Å; A95-R99 VanDerWaalsContact O-N 3.09Å
96	Q	97.9	Very high	97.8	Very high	109 Å²	109	59.5 Å²	59.5	51%	0.509	28%	0.276	S	S	.	.	H	α-helix	trans	-71	-39.2	174.2	-64.7	-57.1	-39.2	0	0	112.6	K92 R93 Q94 R99 V100	K92-Q96 WeakPolarHBondContact O-CG 3.39Å; K92-Q96 PolarHBondContact O-N 2.94Å; R93-Q96 PolarHBondContact O-N 2.98Å; Q94-Q96 PolarHBondContact O-N 2.94Å; Q96-R99 WeakPolarHBondContact O-CB 3.4Å; Q96-R99 PolarHBondContact O-N 3.03Å; Q96-V100 PolarHBondContact O-N 2.93Å
97	A	97.9	Very high	97.8	Very high	42 Å²	42	56.7 Å²	56.7	35%	0.347	28%	0.279	S	S	.	.	H	α-helix	trans	-61.9	-47.2	174.9	0	0	0	0	0	111	R93 Q94 R99 V100 S101	R93-A97 PolarHBondContact O-N 3.4Å; Q94-A97 CarbonylContact O-C 3.47Å; Q94-A97 WeakPolarHBondContact O-CA 3.31Å; Q94-A97 WeakPolarHBondContact O-CB 3.34Å; Q94-A97 PolarHBondContact O-N 2.97Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.98Å; A97-V100 CarbonylContact O-C 3.42Å; A97-V100 WeakPolarHBondContact O-CA 3.4Å; A97-V100 WeakPolarHBondContact O-CB 3.43Å; A97-V100 PolarHBondContact O-N 3.03Å; A97-S101 PolarHBondContact O-N 3.35Å; A97-S101 PolarHBondContact O-OG 2.92Å
98	D	98.1	Very high	97.8	Very high	6 Å²	6	59.4 Å²	59.4	3%	0.032	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-35.4	179.6	-74.5	-1.2	0	0	0	112.3	A35 F46 Q94 V100 S101 L102 L119	A35-D98 HydrophobicContact CB-CB 3.64Å; F46-D98 WeakPolarHBondContact CD2-OD2 3.42Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.31Å; Q94-D98 PolarHBondContact NE2-OD1 2.96Å; Q94-D98 PolarHBondContact O-N 3.46Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.46Å; D98-S101 PolarHBondContact O-N 3.38Å; D98-L102 WeakPolarHBondContact O-CB 3.29Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 2.93Å; D98-L119 HydrophobicContact CB-CD2 4.23Å
99	R	97.4	Very high	97.8	Very high	75 Å²	75	62 Å²	62	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-44.8	170.5	176.4	-167.1	173.4	163.4	17.8	111.7	E43 P44 A95 Q96 A97 R103	E43-R99 IonicContact OE1-CZ 2.7Å; E43-R99 IonicContact OE1-NE 3.65Å; E43-R99 IonicContact OE1-NH1 3.66Å; E43-R99 PolarHBondContact OE1-NH1 3.33Å; E43-R99 IonicContact OE1-NH2 3.49Å; E43-R99 PolarHBondContact OE1-NH2 2.92Å; E43-R99 WeakPolarHBondContact OE2-CD 3.39Å; E43-R99 IonicContact OE2-CZ 3.1Å; E43-R99 IonicContact OE2-NE 3.82Å; E43-R99 PolarHBondContact OE2-NE 3.49Å; E43-R99 IonicContact OE2-NH1 2.73Å; E43-R99 PolarHBondContact OE2-NH1 3.28Å; E43-R99 VanDerWaalsContact OE2-NH1 3.17Å; E43-R99 IonicContact OE2-NH2 3.69Å; E43-R99 PolarHBondContact OE2-NH2 3.41Å; P44-R99 HydrophobicContact CG-CB 4.21Å; P44-R99 HydrophobicContact CG-CG 4.09Å; A95-R99 WeakPolarHBondContact O-CB 3.32Å; A95-R99 PolarHBondContact O-N 3.34Å; A95-R99 VanDerWaalsContact O-N 3.09Å; Q96-R99 WeakPolarHBondContact O-CB 3.4Å; Q96-R99 PolarHBondContact O-N 3.03Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.98Å; R99-R103 PolarHBondContact O-N 3.33Å
100	V	97.4	Very high	97.7	Very high	74 Å²	74	64.2 Å²	64.2	45%	0.448	31%	0.313	S	S	.	.	H	α-helix	trans	-69.1	-42.1	177.5	175.7	0	0	0	0	110.4	Q96 A97 D98 L102 R103 N104	Q96-V100 PolarHBondContact O-N 2.93Å; A97-V100 CarbonylContact O-C 3.42Å; A97-V100 WeakPolarHBondContact O-CA 3.4Å; A97-V100 WeakPolarHBondContact O-CB 3.43Å; A97-V100 PolarHBondContact O-N 3.03Å; D98-V100 VanDerWaalsContact C-N 3.3Å; D98-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.28Å; V100-R103 WeakPolarHBondContact O-CB 3.45Å; V100-R103 PolarHBondContact O-N 3.47Å; V100-N104 PolarHBondContact O-N 2.9Å
101	S	97.9	Very high	97.6	Very high	43 Å²	43	63.9 Å²	63.9	30%	0.301	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-46.5	176.6	-63.4	0	0	0	0	112	A97 D98 R103 N104 L105	A97-S101 PolarHBondContact O-N 3.35Å; A97-S101 PolarHBondContact O-OG 2.92Å; D98-S101 PolarHBondContact O-N 3.38Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.39Å; S101-N104 PolarHBondContact O-N 2.86Å; S101-N104 VanDerWaalsContact O-N 3.08Å; S101-L105 WeakPolarHBondContact O-CB 2.88Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 3.39Å
102	L	98.1	Very high	97.5	Very high	8 Å²	8	67.6 Å²	67.6	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-57.3	-39.5	175.8	-77.3	166.7	0	0	0	112.3	A35 P44 D98 V100 R106 H117 L119 Y142	A35-L102 HydrophobicContact CB-CD1 3.88Å; P44-L102 HydrophobicContact CB-CD1 3.7Å; P44-L102 HydrophobicContact CG-CD1 3.86Å; D98-L102 WeakPolarHBondContact O-CB 3.29Å; D98-L102 VanDerWaalsContact O-CG 3.3Å; D98-L102 WeakPolarHBondContact O-CG 3.41Å; D98-L102 PolarHBondContact O-N 2.93Å; V100-L102 PolarHBondContact O-N 3.28Å; L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L102-Y142 HydrophobicContact CD2-CE2 4.02Å
103	R	96.2	Very high	97.1	Very high	146 Å²	146	70.2 Å²	70.2	55%	0.551	35%	0.352	S	S	*	.	H	α-helix	trans	-67	-42.4	175.3	-173.7	-175	-64.2	164.7	0.1	111.9	R99 V100 S101 G107	R99-R103 PolarHBondContact O-N 3.33Å; V100-R103 WeakPolarHBondContact O-CB 3.45Å; V100-R103 PolarHBondContact O-N 3.47Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 3.39Å; R103-G107 PolarHBondContact O-N 3.47Å
104	N	97.1	Very high	96.8	Very high	71 Å²	71	66.4 Å²	66.4	38%	0.38	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-47.1	179.4	-70.2	-21.5	0	0	0	111.6	V100 S101 R106 G107 Y108	V100-N104 PolarHBondContact O-N 2.9Å; S101-N104 PolarHBondContact O-N 2.86Å; S101-N104 VanDerWaalsContact O-N 3.08Å; N104-R106 PolarHBondContact O-N 3.36Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.21Å; N104-G107 PolarHBondContact O-N 3.33Å; N104-Y108 WeakPolarHBondContact O-CD1 3.28Å; N104-Y108 PolarHBondContact O-N 2.86Å
105	L	98	Very high	96.6	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-59.2	-47.2	179.3	-70.8	166.9	0	0	0	110.9	S101 G107 Y108 Y109 L119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 2.88Å; S101-L105 VanDerWaalsContact O-CG 3.25Å; S101-L105 WeakPolarHBondContact O-CG 3.34Å; S101-L105 PolarHBondContact O-N 3.39Å; L105-G107 PolarHBondContact O-N 2.88Å; L105-Y108 PolarHBondContact O-N 3.09Å; L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 2.8Å; L105-Y109 PolarHBondContact O-N 3.34Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.39Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.24Å
106	R	96.6	Very high	96.5	Very high	60 Å²	60	68 Å²	68	23%	0.226	38%	0.375	C	S	.	.	H	α-helix	trans	-53.3	-40.7	173.7	-171.1	-175.7	66.5	177.8	9.5	112.3	L102 N104 N110 Q111 E113	L102-R106 WeakPolarHBondContact O-CB 3.49Å; L102-R106 PolarHBondContact O-N 3.43Å; L102-R106 VanDerWaalsContact O-N 3.13Å; N104-R106 PolarHBondContact O-N 3.36Å; R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.15Å; R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.42Å; R106-E113 IonicContact CZ-OE1 3.33Å; R106-E113 IonicContact NH1-OE1 2.65Å; R106-E113 IonicContact NH2-OE1 2.92Å; R106-E113 PolarHBondContact NH2-OE1 2.89Å
107	G	96.8	Very high	96.5	Very high	44 Å²	44	63.6 Å²	63.6	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-43.9	174.5	0	0	0	0	0	113.2	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 3.47Å; N104-G107 CarbonylContact O-C 3.53Å; N104-G107 WeakPolarHBondContact O-CA 3.21Å; N104-G107 PolarHBondContact O-N 3.33Å; L105-G107 PolarHBondContact O-N 2.88Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.48Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 PolarHBondContact O-OD1 3.28Å
108	Y	97.9	Very high	96.6	Very high	61 Å²	61	63.4 Å²	63.4	24%	0.239	35%	0.349	C	S	.	.	H	α-helix	trans	-63.4	-34.7	179.3	-64.5	-8.3	0	0	0	112.5	N104 L105 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.28Å; N104-Y108 PolarHBondContact O-N 2.86Å; L105-Y108 PolarHBondContact O-N 3.09Å; Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD2-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 3.94Å; Y108-I166 HydrophobicContact CG-CD1 4.12Å; Y108-K170 PolarHBondContact OH-NZ 3.04Å
109	Y	97.9	Very high	96.6	Very high	67 Å²	67	63.6 Å²	63.6	26%	0.263	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.2	178.1	-68.9	-72.6	0	0	0	114.1	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.28Å; L105-Y109 VanDerWaalsContact O-CD2 3.24Å; L105-Y109 WeakPolarHBondContact O-CD2 2.8Å; L105-Y109 PolarHBondContact O-N 3.34Å; G107-Y109 VanDerWaalsContact C-N 3.27Å; G107-Y109 PolarHBondContact O-N 3.48Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.1Å; Y109-D161 PolarHBondContact OH-OD2 2.9Å; Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110	N	96.8	Very high	96.7	Very high	151 Å²	151	63.8 Å²	63.8	81%	0.807	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39.4	-177.7	-58.5	-57.4	0	0	0	113.5	R106 G107	R106-N110 PolarHBondContact O-N 3.15Å; R106-N110 VanDerWaalsContact O-N 3.15Å; G107-N110 PolarHBondContact O-N 2.95Å; G107-N110 PolarHBondContact O-OD1 3.28Å
111	Q	97.1	Very high	96.7	Very high	63 Å²	63	61.4 Å²	61.4	29%	0.294	34%	0.337	S	S	.	.			trans	-87.7	155.1	-176.7	-70.7	165.4	-31.5	0	0	111.9	R106 Y109 H117 Y142 D143	R106-Q111 HydrophobicContact CG-CB 3.77Å; R106-Q111 PolarHBondContact O-N 3.42Å; Y109-Q111 PolarHBondContact O-N 3.4Å; Q111-H117 PolarHBondContact NE2-CE1 3.35Å; Q111-H117 PolarHBondContact OE1-CE1 3.16Å; Q111-Y142 PolarHBondContact OE1-OH 2.8Å; Q111-D143 PolarHBondContact NE2-OD2 3.49Å
112	S	94.6	Very high	96.8	Very high	78 Å²	78	60.4 Å²	60.4	55%	0.545	33%	0.328	S	S	.	.			trans	-74.9	155.8	-177.7	78.9	0	0	0	0	112.5	A114 G115	S112-A114 PolarHBondContact O-N 2.66Å; S112-G115 PolarHBondContact O-N 2.88Å
113	E	90.9	Very high	96.8	Very high	138 Å²	138	60.9 Å²	60.9	65%	0.645	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.1	178.1	-56.2	-153.1	125.3	0	0	114.1	P39 R106 G115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 VanDerWaalsContact CG-O 3.29Å; P39-E113 WeakPolarHBondContact CG-O 3.43Å; R106-E113 IonicContact CZ-OE1 3.33Å; R106-E113 IonicContact NH1-OE1 2.65Å; R106-E113 IonicContact NH2-OE1 2.92Å; R106-E113 PolarHBondContact NH2-OE1 2.89Å; E113-G115 VanDerWaalsContact C-N 3.32Å
114	A	91.9	Very high	96.9	Very high	88 Å²	88	53.9 Å²	53.9	73%	0.727	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.9	-179.6	0	0	0	0	0	112.8	S112	S112-A114 PolarHBondContact O-N 2.66Å
115	G	93.4	Very high	97	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	29%	0.285	C	S	.	.			trans	-73.3	132.3	179.1	0	0	0	0	0	113	P39 S112 E113 H117	P39-G115 WeakPolarHBondContact CG-O 3.37Å; S112-G115 PolarHBondContact O-N 2.88Å; E113-G115 VanDerWaalsContact C-N 3.32Å; G115-H117 PolarHBondContact O-CD2 3.2Å
116	S	97.2	Very high	97	Very high	75 Å²	75	51.1 Å²	51.1	52%	0.524	29%	0.288	S	S	.	.			trans	-79.4	134.5	163.7	-176.4	0	0	0	0	108.6	S37	S37-S116 PolarHBondContact O-OG 3.37Å
117	H	98.3	Very high	97	Very high	15 Å²	15	48.4 Å²	48.4	7%	0.069	28%	0.278	C	S	.	.			trans	-133.6	151.3	-177.1	-64.2	-75.1	0	0	0	110.7	V36 S37 L102 Q111 G115 Y142 D143	V36-H117 WeakPolarHBondContact CA-O 3.41Å; S37-H117 PolarHBondContact N-O 2.96Å; S37-H117 PolarHBondContact OG-N 3.14Å; S37-H117 PolarHBondContact OG-O 2.82Å; L102-H117 HydrophobicContact CD2-CB 4.26Å; Q111-H117 PolarHBondContact NE2-CE1 3.35Å; Q111-H117 PolarHBondContact OE1-CE1 3.16Å; G115-H117 PolarHBondContact O-CD2 3.2Å; H117-Y142 HydrophobicContact CB-CE2 3.78Å; H117-Y142 WeakPolarHBondContact CB-OH 3.32Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.31Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.86Å; H117-D143 IonicContact CG-OD1 3.42Å; H117-D143 IonicContact CG-OD2 3.05Å; H117-D143 IonicContact ND1-OD1 3.58Å; H117-D143 PolarHBondContact ND1-OD1 2.91Å; H117-D143 IonicContact ND1-OD2 3.32Å; H117-D143 PolarHBondContact ND1-OD2 3.27Å
118	T	98.7	Very high	96.8	Very high	39 Å²	39	46.7 Å²	46.7	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.1	-176.1	-58.2	0	0	0	0	109.9	T34 A35 V36 Q120 Y142 D143	T34-T118 HydrophobicContact CG2-CG2 4Å; A35-T118 WeakPolarHBondContact O-CA 3.28Å; V36-T118 HydrophobicContact CG2-CG2 4.24Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.13Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 3.39Å
119	L	98.8	Very high	96.4	Very high	9 Å²	9	48 Å²	48	5%	0.047	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.9	169.2	175.8	61.7	0	0	0	108.1	T34 A35 D98 L102 L105 A141	T34-L119 CarbonylContact C-O 3.56Å; T34-L119 WeakPolarHBondContact CA-O 3.49Å; A35-L119 HydrophobicContact CB-CB 4.45Å; A35-L119 PolarHBondContact N-O 3.17Å; A35-L119 PolarHBondContact O-N 3.17Å; D98-L119 HydrophobicContact CB-CD2 4.23Å; L102-L119 HydrophobicContact CD2-CB 3.7Å; L102-L119 HydrophobicContact CG-CB 4.12Å; L105-L119 HydrophobicContact CD1-CD1 3.85Å; L105-L119 HydrophobicContact CD1-CD2 4.27Å; L119-A141 WeakPolarHBondContact CD1-O 3.48Å
120	Q	98.8	Very high	95.9	Very high	79 Å²	79	49.6 Å²	49.6	37%	0.369	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143	176.6	-64.9	173	-86.7	0	0	109.3	Y33 T34 T118 S140 A141	Y33-Q120 WeakPolarHBondContact O-CA 3.35Å; T34-Q120 HydrophobicContact CG2-CG 4.1Å; T118-Q120 HydrophobicContact CG2-CG 3.93Å; Q120-S140 CarbonylContact O-C 3.48Å; Q120-S140 VanDerWaalsContact O-CA 3.23Å; Q120-S140 WeakPolarHBondContact O-CA 3.25Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.05Å
121	W	98.7	Very high	95.5	Very high	25 Å²	25	43.3 Å²	43.3	10%	0.095	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	124.9	178.8	-178.9	35.3	0	0	0	110	F32 Y33 Q94 Y123 D138 S140 W180	F32-W121 WeakPolarHBondContact CA-O 3.37Å; Y33-W121 HydrophobicContact CD2-CD2 4.46Å; Y33-W121 AromaticContact CD2-CE3 3.49Å; Y33-W121 HydrophobicContact CD2-CE3 3.49Å; Y33-W121 VanDerWaalsContact CD2-CE3 3.49Å; Y33-W121 AromaticContact CD2-CZ3 3.82Å; Y33-W121 HydrophobicContact CD2-CZ3 3.82Å; Y33-W121 AromaticContact CE2-CE3 3.99Å; Y33-W121 HydrophobicContact CE2-CE3 3.99Å; Y33-W121 AromaticContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CE2-CZ3 3.82Å; Y33-W121 HydrophobicContact CG-CE3 4.47Å; Y33-W121 PolarHBondContact N-O 3.04Å; Y33-W121 PolarHBondContact O-N 2.74Å; Q94-W121 VanDerWaalsContact CD-CZ3 3.45Å; Q94-W121 HydrophobicContact CG-CE3 4.37Å; Q94-W121 HydrophobicContact CG-CZ3 4.17Å; W121-Y123 AromaticContact CD2-CD1 3.91Å; W121-Y123 HydrophobicContact CD2-CD1 3.91Å; W121-Y123 HydrophobicContact CD2-CE1 4.41Å; W121-Y123 AromaticContact CE2-CD1 3.58Å; W121-Y123 HydrophobicContact CE3-CD1 4.2Å; W121-Y123 HydrophobicContact CE3-CE1 4.24Å; W121-Y123 AromaticContact CH2-CD1 3.83Å; W121-Y123 HydrophobicContact CH2-CD1 3.83Å; W121-Y123 AromaticContact CH2-CE1 3.87Å; W121-Y123 HydrophobicContact CH2-CE1 3.87Å; W121-Y123 AromaticContact CZ2-CD1 3.55Å; W121-Y123 HydrophobicContact CZ2-CD1 3.55Å; W121-Y123 HydrophobicContact CZ2-CE1 4.09Å; W121-Y123 HydrophobicContact CZ2-CG 4.14Å; W121-Y123 HydrophobicContact CZ3-CD1 4.13Å; W121-Y123 AromaticContact CZ3-CE1 3.93Å; W121-Y123 HydrophobicContact CZ3-CE1 3.93Å; W121-D138 PolarHBondContact NE1-OD1 2.91Å; W121-S140 VanDerWaalsContact CD1-OG 3.31Å; W121-W180 AromaticContact CH2-CH2 3.31Å; W121-W180 HydrophobicContact CH2-CH2 3.31Å; W121-W180 AromaticContact CH2-CZ2 3.35Å; W121-W180 HydrophobicContact CH2-CZ2 3.35Å; W121-W180 AromaticContact CZ2-CH2 3.17Å; W121-W180 HydrophobicContact CZ2-CH2 3.17Å; W121-W180 AromaticContact CZ2-CZ2 3.13Å; W121-W180 HydrophobicContact CZ2-CZ2 3.13Å; W121-W180 HydrophobicContact CZ2-CZ3 4.11Å
122	M	98.7	Very high	95.3	Very high	21 Å²	21	48.5 Å²	48.5	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.3	174.3	-175.7	-78.5	-75.9	0	0	109.2	Y31 F32 Y137 Q139	Y31-M122 VanDerWaalsContact O-CA 3.31Å; Y31-M122 WeakPolarHBondContact O-CA 3.18Å; F32-M122 HydrophobicContact CD1-CB 3.94Å; F32-M122 HydrophobicContact CD1-CG 3.57Å; F32-M122 HydrophobicContact CE1-CB 4.17Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.36Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 4.15Å; M122-Y137 HydrophobicContact CE-CG 4.27Å; M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.7Å; M122-Q139 PolarHBondContact N-O 2.9Å; M122-Q139 PolarHBondContact O-N 2.64Å
123	Y	98.8	Very high	95.4	Very high	18 Å²	18	47.1 Å²	47.1	7%	0.071	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.3	171.8	68.9	-93.2	0	0	0	110.6	Y31 Y33 W121 Y137 W180 Y183	Y31-Y123 HydrophobicContact CD2-CD2 4.28Å; Y31-Y123 AromaticContact CD2-CE2 3.5Å; Y31-Y123 HydrophobicContact CD2-CE2 3.5Å; Y31-Y123 VanDerWaalsContact CD2-CE2 3.5Å; Y31-Y123 AromaticContact CD2-CZ 3.8Å; Y31-Y123 HydrophobicContact CE2-CE2 4.28Å; Y31-Y123 HydrophobicContact CG-CE1 4.4Å; Y31-Y123 AromaticContact CG-CE2 3.93Å; Y31-Y123 HydrophobicContact CG-CE2 3.93Å; Y31-Y123 AromaticContact CG-CZ 3.73Å; Y31-Y123 PolarHBondContact N-O 2.83Å; Y31-Y123 PolarHBondContact O-N 3.37Å; Y31-Y123 VanDerWaalsContact O-N 3.16Å; Y33-Y123 HydrophobicContact CD2-CE1 4.19Å; Y33-Y123 HydrophobicContact CE1-CE1 4.38Å; Y33-Y123 AromaticContact CE2-CE1 3.6Å; Y33-Y123 HydrophobicContact CE2-CE1 3.6Å; Y33-Y123 AromaticContact CZ-CE1 3.72Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 3.44Å; W121-Y123 AromaticContact CD2-CD1 3.91Å; W121-Y123 HydrophobicContact CD2-CD1 3.91Å; W121-Y123 HydrophobicContact CD2-CE1 4.41Å; W121-Y123 AromaticContact CE2-CD1 3.58Å; W121-Y123 HydrophobicContact CE3-CD1 4.2Å; W121-Y123 HydrophobicContact CE3-CE1 4.24Å; W121-Y123 AromaticContact CH2-CD1 3.83Å; W121-Y123 HydrophobicContact CH2-CD1 3.83Å; W121-Y123 AromaticContact CH2-CE1 3.87Å; W121-Y123 HydrophobicContact CH2-CE1 3.87Å; W121-Y123 AromaticContact CZ2-CD1 3.55Å; W121-Y123 HydrophobicContact CZ2-CD1 3.55Å; W121-Y123 HydrophobicContact CZ2-CE1 4.09Å; W121-Y123 HydrophobicContact CZ2-CG 4.14Å; W121-Y123 HydrophobicContact CZ3-CD1 4.13Å; W121-Y123 AromaticContact CZ3-CE1 3.93Å; W121-Y123 HydrophobicContact CZ3-CE1 3.93Å; Y123-Y137 WeakPolarHBondContact CA-O 3.21Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; Y123-W180 HydrophobicContact CD2-CH2 4.49Å; Y123-W180 HydrophobicContact CD2-CZ3 4.03Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 HydrophobicContact CG-CZ3 4.11Å; Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å
124	G	98.6	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-177.7	-178.4	0	0	0	0	0	114.3	M29 G136 Y137 L184	M29-G124 CarbonylContact O-C 3.52Å; M29-G124 WeakPolarHBondContact O-CA 3.36Å; G124-G136 CarbonylContact O-C 3.58Å; G124-Y137 PolarHBondContact N-O 3.37Å; G124-Y137 PolarHBondContact O-N 2.83Å; G124-L184 WeakPolarHBondContact O-CD2 3.37Å
125	C	98.5	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.6	-178.1	54	0	0	0	0	111.3	S28 M29 L133 R135 C188	S28-C125 WeakPolarHBondContact CA-O 3.49Å; M29-C125 PolarHBondContact N-O 3Å; M29-C125 PolarHBondContact O-N 2.95Å; C125-L133 HydrophobicContact CB-CD1 3.56Å; C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.19Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.48Å; C125-C188 PolarHBondContact N-SG 3.2Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.89Å
126	D	98.1	Very high	96.2	Very high	22 Å²	22	46 Å²	46	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	136.6	172.3	-62.1	-3.9	0	0	0	108.8	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.58Å; H27-D126 WeakPolarHBondContact O-CA 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.42Å; R30-D126 IonicContact CZ-OD1 3.56Å; R30-D126 IonicContact NE-OD1 3.97Å; R30-D126 PolarHBondContact NE-OD1 3.21Å; R30-D126 VanDerWaalsContact NE-OD1 3.09Å; R30-D126 IonicContact NH2-OD1 3.9Å; R30-D126 PolarHBondContact NH2-OD1 3.24Å; R30-D126 IonicContact NH2-OD2 2.72Å; R30-D126 PolarHBondContact NH2-OD2 3.03Å; D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.98Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 2.63Å; D126-R135 PolarHBondContact O-N 3.33Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 3.05Å; D126-Y137 VanDerWaalsContact OD2-OH 3.05Å
127	L	96.6	Very high	96.2	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.3	173.8	-56.5	-176.6	0	0	0	110	S26 H27 R132 V189 L192 R193	S26-L127 VanDerWaalsContact CA-O 3.28Å; S26-L127 WeakPolarHBondContact CA-O 2.96Å; S26-L127 WeakPolarHBondContact CB-O 3.33Å; H27-L127 PolarHBondContact N-O 2.83Å; H27-L127 VanDerWaalsContact N-O 3.12Å; H27-L127 PolarHBondContact O-N 2.67Å; L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.7Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.21Å; L127-R193 HydrophobicContact CD1-CG 3.93Å
128	G	93.1	Very high	96.2	Very high	8 Å²	8	43.4 Å²	43.4	8%	0.082	22%	0.216	C	C	.	.			trans	-69.4	175	165.2	0	0	0	0	0	111.8	D130 G131 R132	G128-D130 PolarHBondContact O-N 3.41Å; G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 3.11Å; G128-R132 PolarHBondContact N-O 3.3Å
129	P	88.4	Confident	96.2	Very high	87 Å²	87	45.4 Å²	45.4	57%	0.565	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.2	179.8	-18	28.9	0	0	0	113.6	A24 G131	A24-P129 HydrophobicContact CB-CB 3.66Å; A24-P129 HydrophobicContact CB-CG 3.13Å; P129-G131 PolarHBondContact O-N 3.48Å
130	D	88.3	Confident	96.2	Very high	102 Å²	102	45.7 Å²	45.7	55%	0.545	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	3.6	174	69.9	-13.7	0	0	0	112.8	G128 R132	G128-D130 PolarHBondContact O-N 3.41Å; D130-R132 PolarHBondContact O-N 3.05Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.35Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.7Å
131	G	88.4	Confident	96.2	Very high	18 Å²	18	42.7 Å²	42.7	19%	0.186	21%	0.214	C	C	.	.	S	Bend	trans	71.9	9.4	-178.6	0	0	0	0	0	113.9	G128 P129 R193	G128-G131 WeakPolarHBondContact O-CA 3.38Å; G128-G131 PolarHBondContact O-N 3.11Å; P129-G131 PolarHBondContact O-N 3.48Å; G131-R193 VanDerWaalsContact O-CZ 3.28Å; G131-R193 PolarHBondContact O-NE 2.88Å; G131-R193 PolarHBondContact O-NH2 3.06Å
132	R	93.5	Very high	96.2	Very high	172 Å²	172	42 Å²	42	65%	0.649	21%	0.212	S	C	*	.	S	Bend	trans	-88.3	155.4	178.5	-61.8	-173.7	-175.4	168.8	-1.8	111.1	L127 G128 D130 L134	L127-R132 CarbonylContact C-O 3.53Å; L127-R132 VanDerWaalsContact CA-O 3.24Å; L127-R132 WeakPolarHBondContact CA-O 3.28Å; G128-R132 PolarHBondContact N-O 3.3Å; D130-R132 PolarHBondContact O-N 3.05Å; D130-R132 WeakPolarHBondContact OD1-CB 3.36Å; D130-R132 PolarHBondContact OD1-N 2.83Å; D130-R132 WeakPolarHBondContact OD2-CD 3.35Å; D130-R132 WeakPolarHBondContact OD2-CG 3.38Å; D130-R132 IonicContact OD2-NE 2.7Å; R132-L134 PolarHBondContact O-N 3.36Å; R132-L134 VanDerWaalsContact O-N 3.1Å
133	L	96.7	Very high	96.2	Very high	50 Å²	50	44 Å²	44	26%	0.262	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	117.7	174.4	-176.7	72.1	0	0	0	109.7	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.56Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; L133-L154 HydrophobicContact CD2-CD1 4.12Å; L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L133-V189 HydrophobicContact CB-CG2 4.07Å; L133-V189 HydrophobicContact CD1-CG2 4.17Å
134	L	96.4	Very high	96.1	Very high	122 Å²	122	45.9 Å²	45.9	64%	0.639	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89	-45.8	170.7	-179.3	63.5	0	0	0	110	D126 R132	D126-L134 HydrophobicContact CB-CB 4.4Å; D126-L134 PolarHBondContact O-N 2.98Å; R132-L134 PolarHBondContact O-N 3.36Å; R132-L134 VanDerWaalsContact O-N 3.1Å
135	R	96.8	Very high	96.1	Very high	95 Å²	95	53.4 Å²	53.4	36%	0.358	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	143.8	-177.5	-173.7	161.9	171.1	143.5	11.7	112	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.56Å; C125-R135 WeakPolarHBondContact CA-O 3.19Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 2.63Å; D126-R135 PolarHBondContact O-N 3.33Å; L133-R135 WeakPolarHBondContact CD1-O 3.35Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.66Å; R135-Y137 PolarHBondContact NE-OH 3.46Å; R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.9Å; R135-E152 IonicContact NH1-OE1 3.82Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 2.88Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å
136	G	98.1	Very high	96.2	Very high	5 Å²	5	59.5 Å²	59.5	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	152.2	170.7	0	0	0	0	0	111.2	G124	G124-G136 CarbonylContact O-C 3.58Å
137	Y	98.5	Very high	96.2	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.141	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.2	-178	-58.7	-94	0	0	0	110.7	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 3.37Å; M122-Y137 HydrophobicContact CE-CD1 4.15Å; M122-Y137 HydrophobicContact CE-CG 4.27Å; Y123-Y137 WeakPolarHBondContact CA-O 3.21Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; G124-Y137 PolarHBondContact N-O 3.37Å; G124-Y137 PolarHBondContact O-N 2.83Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.35Å; D126-Y137 PolarHBondContact OD2-OH 3.05Å; D126-Y137 VanDerWaalsContact OD2-OH 3.05Å; R135-Y137 HydrophobicContact CB-CE2 4.03Å; R135-Y137 VanDerWaalsContact CD-CZ 3.44Å; R135-Y137 WeakPolarHBondContact CD-OH 3.4Å; R135-Y137 HydrophobicContact CG-CD2 4.33Å; R135-Y137 HydrophobicContact CG-CE1 4.18Å; R135-Y137 HydrophobicContact CG-CE2 3.66Å; R135-Y137 PolarHBondContact NE-OH 3.46Å
138	D	98.5	Very high	96.3	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	110.3	162.5	175	-8.8	0	0	0	106.7	W121 A149 L150 W180	W121-D138 PolarHBondContact NE1-OD1 2.91Å; D138-A149 CarbonylContact O-C 3.59Å; D138-A149 WeakPolarHBondContact O-CA 3.04Å; D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.21Å; D138-L150 PolarHBondContact O-N 2.86Å; D138-W180 HydrophobicContact CB-CD2 4.41Å; D138-W180 HydrophobicContact CB-CE3 4.48Å; D138-W180 VanDerWaalsContact OD2-CD1 3.29Å; D138-W180 PolarHBondContact OD2-NE1 2.97Å; D138-W180 VanDerWaalsContact OD2-NE1 3.07Å
139	Q	98.6	Very high	96.6	Very high	80 Å²	80	60 Å²	60	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	133.6	-178	59.3	-173	66.9	0	0	111.8	M122 I148 A149	M122-Q139 HydrophobicContact CB-CG 4.13Å; M122-Q139 HydrophobicContact CE-CG 3.7Å; M122-Q139 PolarHBondContact N-O 2.9Å; M122-Q139 PolarHBondContact O-N 2.64Å; Q139-I148 WeakPolarHBondContact CA-O 3.37Å; Q139-A149 HydrophobicContact CB-CB 3.88Å
140	S	98.6	Very high	97.1	Very high	15 Å²	15	56.5 Å²	56.5	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145	179.9	-61.3	0	0	0	0	111	Q120 W121 Y147 I148	Q120-S140 CarbonylContact O-C 3.48Å; Q120-S140 VanDerWaalsContact O-CA 3.23Å; Q120-S140 WeakPolarHBondContact O-CA 3.25Å; W121-S140 VanDerWaalsContact CD1-OG 3.31Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.23Å; S140-I148 PolarHBondContact N-O 3.42Å; S140-I148 PolarHBondContact O-N 3.08Å
141	A	98.8	Very high	97.5	Very high	16 Å²	16	53.7 Å²	53.7	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	145	174.9	0	0	0	0	0	110.7	L119 Q120 K145	L119-A141 WeakPolarHBondContact CD1-O 3.48Å; Q120-A141 HydrophobicContact CB-CB 4.38Å; Q120-A141 PolarHBondContact N-O 3.33Å; Q120-A141 PolarHBondContact O-N 3.05Å; A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.36Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.13Å
142	Y	98.8	Very high	98	Very high	11 Å²	11	59.3 Å²	59.3	4%	0.043	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.8	177.5	-174.4	-121	0	0	0	110.3	L102 L105 Y109 Q111 H117 T118 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.02Å; L105-Y142 HydrophobicContact CB-CD1 4.36Å; L105-Y142 HydrophobicContact CB-CD2 4.21Å; L105-Y142 HydrophobicContact CB-CE1 4Å; L105-Y142 HydrophobicContact CB-CE2 3.86Å; L105-Y142 HydrophobicContact CB-CG 4.44Å; L105-Y142 HydrophobicContact CD1-CD2 3.61Å; L105-Y142 HydrophobicContact CD1-CE2 3.94Å; L105-Y142 HydrophobicContact CD1-CG 4.04Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; Y109-Y142 AromaticContact CD2-CD1 3.7Å; Y109-Y142 HydrophobicContact CD2-CD1 3.7Å; Y109-Y142 AromaticContact CD2-CE1 3.5Å; Y109-Y142 HydrophobicContact CD2-CE1 3.5Å; Y109-Y142 AromaticContact CE2-CD1 3.5Å; Y109-Y142 HydrophobicContact CE2-CD1 3.5Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.5Å; Y109-Y142 AromaticContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CE2-CE1 3.84Å; Y109-Y142 HydrophobicContact CG-CE1 4.39Å; Q111-Y142 PolarHBondContact OE1-OH 2.8Å; H117-Y142 HydrophobicContact CB-CE2 3.78Å; H117-Y142 WeakPolarHBondContact CB-OH 3.32Å; H117-Y142 AromaticContact CG-CZ 3.96Å; H117-Y142 AromaticContact ND1-CZ 3.88Å; H117-Y142 PolarHBondContact ND1-OH 3.31Å; T118-Y142 CarbonylContact O-C 3.58Å; T118-Y142 WeakPolarHBondContact O-CA 3.13Å; T118-Y142 WeakPolarHBondContact O-CD2 3.47Å; Y142-G144 PolarHBondContact O-N 3.48Å; Y142-K145 PolarHBondContact N-O 3.21Å; Y142-K145 PolarHBondContact O-N 2.79Å; Y142-K145 VanDerWaalsContact O-N 3.07Å
143	D	98.3	Very high	98.2	Very high	63 Å²	63	55 Å²	55	34%	0.337	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	39.8	-174.4	-66.3	-22	0	0	0	113.2	Q111 H117 T118 K145	Q111-D143 PolarHBondContact NE2-OD2 3.49Å; H117-D143 WeakPolarHBondContact CA-OD1 3.47Å; H117-D143 WeakPolarHBondContact CB-OD1 3.49Å; H117-D143 IonicContact CE1-OD2 3.86Å; H117-D143 IonicContact CG-OD1 3.42Å; H117-D143 IonicContact CG-OD2 3.05Å; H117-D143 IonicContact ND1-OD1 3.58Å; H117-D143 PolarHBondContact ND1-OD1 2.91Å; H117-D143 IonicContact ND1-OD2 3.32Å; H117-D143 PolarHBondContact ND1-OD2 3.27Å; T118-D143 PolarHBondContact N-OD1 2.97Å; T118-D143 PolarHBondContact O-N 3.39Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.95Å
144	G	97.6	Very high	98.2	Very high	57 Å²	57	53 Å²	53	59%	0.588	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	10.1	177.9	0	0	0	0	0	115.1	Y142	Y142-G144 PolarHBondContact O-N 3.48Å
145	K	98.5	Very high	98.3	Very high	159 Å²	159	55.3 Å²	55.3	69%	0.691	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.2	176.2	-61.6	-178.5	-177.4	178.6	0	110.7	A141 Y142 D143 Y147	A141-K145 CarbonylContact C-O 3.58Å; A141-K145 WeakPolarHBondContact CA-O 3.36Å; A141-K145 VanDerWaalsContact CB-O 3.25Å; A141-K145 WeakPolarHBondContact CB-O 3.13Å; Y142-K145 PolarHBondContact N-O 3.21Å; Y142-K145 PolarHBondContact O-N 2.79Å; Y142-K145 VanDerWaalsContact O-N 3.07Å; D143-K145 VanDerWaalsContact C-N 3.31Å; D143-K145 PolarHBondContact O-N 2.95Å; K145-Y147 PolarHBondContact O-N 2.86Å
146	D	98.7	Very high	98.4	Very high	127 Å²	127	52.7 Å²	52.7	68%	0.679	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.7	136.3	174.5	-65.1	-22	0	0	0	110.7	A160	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.28Å
147	Y	98.8	Very high	98.4	Very high	9 Å²	9	52.9 Å²	52.9	4%	0.035	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	-63.1	178.3	-179.7	-108.3	0	0	0	110.3	L105 Y109 S140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.03Å; L105-Y147 HydrophobicContact CD2-CE1 3.83Å; L105-Y147 HydrophobicContact CD2-CE2 3.39Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.24Å; Y109-Y147 HydrophobicContact CE2-CD2 4.37Å; Y109-Y147 HydrophobicContact CE2-CE2 4.09Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.46Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.3Å; S140-Y147 WeakPolarHBondContact O-CB 3.34Å; S140-Y147 PolarHBondContact O-N 3.23Å; K145-Y147 PolarHBondContact O-N 2.86Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 2.8Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.19Å; Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.18Å; Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.41Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142	179.8	-161.6	171	0	0	0	110.4	Q139 S140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.37Å; S140-I148 PolarHBondContact N-O 3.42Å; S140-I148 PolarHBondContact O-N 3.08Å; I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; I148-Q168 HydrophobicContact CD1-CB 3.96Å; I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	55.9 Å²	55.9	25%	0.248	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.4	177.8	0	0	0	0	0	111.7	D138 Q139 W157 T158	D138-A149 CarbonylContact O-C 3.59Å; D138-A149 WeakPolarHBondContact O-CA 3.04Å; Q139-A149 HydrophobicContact CB-CB 3.88Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; A149-T158 PolarHBondContact N-O 3.42Å; A149-T158 PolarHBondContact O-N 3.25Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54.9 Å²	54.9	7%	0.073	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	129.1	168.8	-174.9	66.3	0	0	0	108.6	D138 L154 W157 A177 W180 L184	D138-L150 HydrophobicContact CB-CB 3.9Å; D138-L150 HydrophobicContact CB-CD2 4.21Å; D138-L150 PolarHBondContact O-N 2.86Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; L150-A177 HydrophobicContact CD1-CB 3.94Å; L150-W180 HydrophobicContact CD2-CB 4Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å
151	N	98.6	Very high	98.4	Very high	44 Å²	44	56.7 Å²	56.7	24%	0.235	31%	0.314	C	S	.	.			trans	-73.2	162.4	179.6	-67.6	-31	0	0	0	111.2	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.81Å; N151-L154 PolarHBondContact O-N 3.46Å; N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.21Å; N151-S156 PolarHBondContact ND2-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; N151-T158 PolarHBondContact ND2-OG1 2.6Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
152	E	97.6	Very high	98.4	Very high	136 Å²	136	61.2 Å²	61.2	64%	0.636	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.2	-180	-66.3	178.3	-162.5	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.46Å; R135-E152 IonicContact CZ-OE1 3.9Å; R135-E152 IonicContact NH1-OE1 3.82Å; R135-E152 PolarHBondContact NH1-OE1 3.4Å; R135-E152 IonicContact NH1-OE2 3.57Å; R135-E152 VanDerWaalsContact NH2-CG 3.32Å; R135-E152 IonicContact NH2-OE1 2.88Å; R135-E152 PolarHBondContact NH2-OE1 2.9Å; E152-L154 PolarHBondContact O-N 3.16Å
153	D	97.5	Very high	98.3	Very high	80 Å²	80	60.9 Å²	60.9	43%	0.428	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.6	174.3	70.1	4.6	0	0	0	113.9	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.81Å; D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 2.82Å; D153-R155 PolarHBondContact OD1-N 3.33Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.91Å; D153-S156 PolarHBondContact OD1-OG 2.94Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
154	L	98	Very high	98.3	Very high	9 Å²	9	57.9 Å²	57.9	5%	0.047	32%	0.323	C	S	.	.	S	Bend	trans	52.9	29.8	-174.9	-53.4	-178.3	0	0	0	113.5	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.12Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.3Å; N151-L154 PolarHBondContact O-N 3.46Å; E152-L154 PolarHBondContact O-N 3.16Å; L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; L154-E185 HydrophobicContact CD1-CG 4.25Å
155	R	97.7	Very high	98.4	Very high	170 Å²	170	58.7 Å²	58.7	64%	0.642	31%	0.312	S	S	*	.	S	Bend	trans	-136.2	-30.7	-174.5	-70.2	172.7	-170.3	-146.9	5.4	113	D153 A177 R181	D153-R155 WeakPolarHBondContact O-CG 3.45Å; D153-R155 PolarHBondContact O-N 2.82Å; D153-R155 PolarHBondContact OD1-N 3.33Å; R155-A177 WeakPolarHBondContact O-CB 3.34Å; R155-R181 VanDerWaalsContact NH2-NH1 3.17Å
156	S	98	Very high	98.4	Very high	40 Å²	40	54 Å²	54	28%	0.28	29%	0.293	S	S	.	.			trans	-117.8	161.5	-176.8	63.6	0	0	0	0	111.8	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.36Å; N151-S156 WeakPolarHBondContact CB-OG 3.47Å; N151-S156 PolarHBondContact N-O 3.21Å; N151-S156 PolarHBondContact ND2-O 2.85Å; N151-S156 PolarHBondContact ND2-OG 2.82Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 2.91Å; D153-S156 PolarHBondContact OD1-OG 2.94Å; D153-S156 VanDerWaalsContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-OG 3.07Å
157	W	98.7	Very high	98.4	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.1	-178.1	-60.8	92.3	0	0	0	110.7	I148 A149 L150 Q168 W171 E176 A177 W180	I148-W157 HydrophobicContact CD1-CB 4.27Å; I148-W157 HydrophobicContact CD1-CD2 4.48Å; I148-W157 HydrophobicContact CD1-CE3 4.29Å; I148-W157 HydrophobicContact CD1-CG 4.49Å; I148-W157 HydrophobicContact CG1-CB 4.32Å; I148-W157 HydrophobicContact CG1-CE3 4.1Å; A149-W157 CarbonylContact O-C 3.55Å; A149-W157 WeakPolarHBondContact O-CA 3.33Å; L150-W157 HydrophobicContact CB-CE3 3.96Å; L150-W157 HydrophobicContact CB-CH2 4.04Å; L150-W157 HydrophobicContact CB-CZ3 3.59Å; L150-W157 HydrophobicContact CD1-CD2 4.14Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.01Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.18Å; L150-W157 HydrophobicContact CG-CH2 4.5Å; L150-W157 HydrophobicContact CG-CZ3 4.45Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.14Å; W157-W171 AromaticContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CZ3 4.36Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.77Å; W157-W171 HydrophobicContact CE3-CZ3 3.77Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; W157-E176 HydrophobicContact CZ2-CB 4.21Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; W157-W180 AromaticContact CH2-CD1 3.99Å
158	T	98.7	Very high	98.4	Very high	76 Å²	76	50.3 Å²	50.3	47%	0.466	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.7	166.6	-66.8	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.39Å; A149-T158 PolarHBondContact N-O 3.42Å; A149-T158 PolarHBondContact O-N 3.25Å; N151-T158 PolarHBondContact ND2-OG1 2.6Å; N151-T158 WeakPolarHBondContact OD1-CB 3.35Å; N151-T158 PolarHBondContact OD1-OG1 3.44Å
159	A	98.7	Very high	98.3	Very high	23 Å²	23	57.5 Å²	57.5	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	131.6	174	0	0	0	0	0	110.4	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.72Å; A159-Q165 HydrophobicContact CB-CG 3.97Å; A159-Q168 HydrophobicContact CB-CB 4.4Å
160	A	98.6	Very high	98.3	Very high	59 Å²	59	61.3 Å²	61.3	49%	0.488	31%	0.312	S	S	.	.	S	Bend	trans	-74.4	-30.3	-177.2	0	0	0	0	0	113.3	D146 Y147	D146-A160 HydrophobicContact CB-CB 4.28Å; D146-A160 WeakPolarHBondContact O-CB 3.28Å; Y147-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 PolarHBondContact O-N 2.8Å
161	D	98.4	Very high	98.3	Very high	54 Å²	54	63.7 Å²	63.7	29%	0.289	32%	0.32	S	S	.	.	S	Bend	trans	-150.9	-175.6	-178.9	68	29.8	0	0	0	113.3	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.3Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.1Å; Y109-D161 PolarHBondContact OH-OD2 2.9Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.2Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.27Å; D161-A163 PolarHBondContact OD1-N 3.01Å; D161-A164 PolarHBondContact O-N 2.79Å; D161-A164 PolarHBondContact OD1-N 3.35Å; D161-Q165 WeakPolarHBondContact O-CG 3.32Å; D161-Q165 PolarHBondContact O-N 2.85Å
162	T	98.2	Very high	98.3	Very high	110 Å²	110	66.2 Å²	66.2	68%	0.675	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-27.4	-179.1	51.5	0	0	0	0	114
163	A	98.1	Very high	98.3	Very high	5 Å²	5	63.9 Å²	63.9	4%	0.041	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-43.7	175.1	0	0	0	0	0	109.9	Y109 Y147 D161 Q165 I166	Y109-A163 HydrophobicContact CD1-CB 4.2Å; Y109-A163 HydrophobicContact CD2-CB 4.42Å; Y109-A163 HydrophobicContact CE1-CB 3.64Å; Y109-A163 HydrophobicContact CE2-CB 3.88Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.45Å; Y147-A163 PolarHBondContact OH-O 3.19Å; D161-A163 VanDerWaalsContact C-N 3.3Å; D161-A163 PolarHBondContact O-N 3.2Å; D161-A163 WeakPolarHBondContact OD1-CA 3.42Å; D161-A163 WeakPolarHBondContact OD1-CB 3.27Å; D161-A163 PolarHBondContact OD1-N 3.01Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.87Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 2.85Å
164	A	98.5	Very high	98.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-60.4	-33.7	174	0	0	0	0	0	113.3	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.82Å; Y147-A164 HydrophobicContact CE1-CB 4.41Å; Y147-A164 HydrophobicContact CE2-CB 3.7Å; Y147-A164 HydrophobicContact CG-CB 4.24Å; Y147-A164 WeakPolarHBondContact O-CB 3.18Å; A159-A164 HydrophobicContact CB-CB 3.72Å; D161-A164 PolarHBondContact O-N 2.79Å; D161-A164 PolarHBondContact OD1-N 3.35Å; A164-I166 PolarHBondContact O-N 2.89Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.82Å; A164-Q168 PolarHBondContact O-N 2.74Å
165	Q	98.7	Very high	98.3	Very high	74 Å²	74	69.7 Å²	69.7	35%	0.346	36%	0.361	S	S	.	.	H	α-helix	trans	-59.6	-26.6	173.1	-73	174.8	11.7	0	0	113.2	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 3.97Å; D161-Q165 WeakPolarHBondContact O-CG 3.32Å; D161-Q165 PolarHBondContact O-N 2.85Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 2.87Å; Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.84Å; Q165-R169 VanDerWaalsContact O-N 3.14Å
166	I	98.3	Very high	98.4	Very high	60 Å²	60	64 Å²	64	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-67.3	-45.1	174.1	-56.7	171.3	0	0	0	109.8	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.19Å; Y108-I166 HydrophobicContact CD2-CB 4.46Å; Y108-I166 HydrophobicContact CD2-CD1 4.31Å; Y108-I166 HydrophobicContact CE1-CD1 4.5Å; Y108-I166 HydrophobicContact CE1-CG2 4.32Å; Y108-I166 HydrophobicContact CE2-CB 4.13Å; Y108-I166 HydrophobicContact CE2-CG2 3.94Å; Y108-I166 HydrophobicContact CG-CD1 4.12Å; A163-I166 VanDerWaalsContact O-CB 3.24Å; A163-I166 WeakPolarHBondContact O-CB 3.14Å; A163-I166 PolarHBondContact O-N 2.85Å; A164-I166 PolarHBondContact O-N 2.89Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.27Å
167	T	98.3	Very high	98.4	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-46.2	174.8	-67.7	0	0	0	0	111.1	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.23Å; Y147-T167 PolarHBondContact OH-OG1 3.41Å; I148-T167 HydrophobicContact CD1-CG2 4.03Å; A164-T167 WeakPolarHBondContact O-CB 3.24Å; A164-T167 PolarHBondContact O-N 2.82Å; T167-R169 PolarHBondContact O-N 3.15Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.79Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.18Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.4Å; T167-W171 HydrophobicContact CG2-CZ2 3.92Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 2.8Å
168	Q	98.7	Very high	98.3	Very high	40 Å²	40	67.5 Å²	67.5	19%	0.187	36%	0.355	C	S	.	.	H	α-helix	trans	-51.2	-52.5	178.1	176	175.1	10.9	0	0	111.7	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.96Å; W157-Q168 HydrophobicContact CB-CG 4.16Å; W157-Q168 PolarHBondContact O-NE2 3.14Å; A159-Q168 HydrophobicContact CB-CB 4.4Å; A164-Q168 PolarHBondContact O-N 2.74Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.12Å; Q168-W171 PolarHBondContact O-N 3.05Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 2.74Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.24Å; Q168-E172 PolarHBondContact O-N 3.33Å
169	R	98.6	Very high	98.3	Very high	155 Å²	155	69.6 Å²	69.6	59%	0.585	36%	0.36	S	S	*	.	H	α-helix	trans	-60.3	-36.4	-179.9	-68.5	170.4	-164.6	154.2	8.8	112.7	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.3Å; Q165-R169 WeakPolarHBondContact O-CG 3.33Å; Q165-R169 PolarHBondContact O-N 2.84Å; Q165-R169 VanDerWaalsContact O-N 3.14Å; T167-R169 PolarHBondContact O-N 3.15Å; R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.09Å
170	K	98.2	Very high	98.3	Very high	109 Å²	109	70.8 Å²	70.8	47%	0.474	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-44.6	176.6	-71.3	176.1	175.9	-175.4	0	111.4	Y108 I166 T167 Q168 A173 A174	Y108-K170 PolarHBondContact OH-NZ 3.04Å; I166-K170 WeakPolarHBondContact O-CG 3.38Å; I166-K170 PolarHBondContact O-N 3.27Å; T167-K170 WeakPolarHBondContact O-CB 3.43Å; T167-K170 PolarHBondContact O-N 2.79Å; Q168-K170 VanDerWaalsContact C-N 3.27Å; Q168-K170 PolarHBondContact O-N 3.12Å; K170-A173 PolarHBondContact O-N 3.44Å; K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.73Å
171	W	98.3	Very high	98.3	Very high	64 Å²	64	71.5 Å²	71.5	24%	0.242	35%	0.35	C	S	.	.	H	α-helix	trans	-68.9	-37.1	-179.9	-74.2	4.6	0	0	0	112.4	I148 W157 T167 Q168 A174 R175 E176	I148-W171 HydrophobicContact CD1-CE3 3.95Å; I148-W171 HydrophobicContact CD1-CZ3 4.2Å; I148-W171 HydrophobicContact CG2-CE3 4.49Å; I148-W171 HydrophobicContact CG2-CH2 4.02Å; I148-W171 HydrophobicContact CG2-CZ3 3.71Å; W157-W171 AromaticContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CE3 3.84Å; W157-W171 HydrophobicContact CD2-CZ3 4.36Å; W157-W171 AromaticContact CE2-CE3 3.72Å; W157-W171 AromaticContact CE3-CE3 3.73Å; W157-W171 HydrophobicContact CE3-CE3 3.73Å; W157-W171 AromaticContact CE3-CZ3 3.77Å; W157-W171 HydrophobicContact CE3-CZ3 3.77Å; W157-W171 AromaticContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CE3 3.43Å; W157-W171 VanDerWaalsContact CH2-CE3 3.43Å; W157-W171 HydrophobicContact CH2-CH2 4.46Å; W157-W171 AromaticContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CH2-CZ3 3.39Å; W157-W171 HydrophobicContact CZ2-CD2 4.41Å; W157-W171 AromaticContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CE3 3.53Å; W157-W171 HydrophobicContact CZ2-CZ3 4.01Å; W157-W171 AromaticContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CE3 3.55Å; W157-W171 HydrophobicContact CZ3-CH2 4.45Å; W157-W171 AromaticContact CZ3-CZ3 3.26Å; W157-W171 HydrophobicContact CZ3-CZ3 3.26Å; T167-W171 HydrophobicContact CG2-CD2 3.69Å; T167-W171 HydrophobicContact CG2-CE3 4.18Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.4Å; T167-W171 HydrophobicContact CG2-CZ2 3.92Å; T167-W171 HydrophobicContact CG2-CZ3 4.5Å; T167-W171 PolarHBondContact O-N 2.8Å; Q168-W171 PolarHBondContact O-N 3.05Å; Q168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.75Å; W171-R175 WeakPolarHBondContact O-CA 3.46Å; W171-R175 PolarHBondContact O-N 2.99Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.87Å
172	E	98.5	Very high	98.3	Very high	98 Å²	98	72 Å²	72	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-45.9	171.5	-73.3	170.4	174	0	0	111.3	Q168 A174 R175	Q168-E172 HydrophobicContact CG-CG 4.29Å; Q168-E172 VanDerWaalsContact CG-OE1 3.27Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.42Å; Q168-E172 PolarHBondContact NE2-OE1 2.74Å; Q168-E172 WeakPolarHBondContact O-CB 3.44Å; Q168-E172 WeakPolarHBondContact O-CG 3.24Å; Q168-E172 PolarHBondContact O-N 3.33Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.92Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.14Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	69 Å²	69	72%	0.719	34%	0.338	S	S	*	.	H	α-helix	trans	-63.3	-35.1	176.9	0	0	0	0	0	112.8	R169 K170	R169-A173 VanDerWaalsContact O-CB 3.31Å; R169-A173 WeakPolarHBondContact O-CB 3.49Å; R169-A173 PolarHBondContact O-N 3.09Å; K170-A173 PolarHBondContact O-N 3.44Å
174	A	98.1	Very high	98.3	Very high	53 Å²	53	68.8 Å²	68.8	44%	0.438	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3	176.6	0	0	0	0	0	113.9	K170 W171 E172 E176	K170-A174 WeakPolarHBondContact O-CB 3.3Å; K170-A174 PolarHBondContact O-N 2.73Å; W171-A174 CarbonylContact O-C 3.58Å; W171-A174 PolarHBondContact O-N 2.75Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.92Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.06Å; A174-E176 PolarHBondContact O-N 2.72Å
175	R	97.8	Very high	98.3	Very high	158 Å²	158	73.1 Å²	73.1	60%	0.596	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	39.3	-176.6	-56.4	180	173	-152.1	3.5	113.7	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.46Å; W171-R175 PolarHBondContact O-N 2.99Å; E172-R175 PolarHBondContact O-N 3.19Å; E172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 PolarHBondContact O-N 2.87Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 IonicContact NH1-OE1 3.19Å; R175-E178 PolarHBondContact NH1-OE1 3.06Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 WeakPolarHBondContact O-CB 3.31Å; R175-E178 PolarHBondContact O-N 3.29Å
176	E	97.9	Very high	98.2	Very high	50 Å²	50	70.6 Å²	70.6	23%	0.234	35%	0.35	C	S	.	.	H	α-helix	trans	-59.3	-32.9	-177.6	-66	-68.4	178.6	0	0	112.5	W157 W171 A174 E178 Q179 W180	W157-E176 HydrophobicContact CZ2-CB 4.21Å; W171-E176 HydrophobicContact CB-CB 3.98Å; W171-E176 HydrophobicContact CB-CG 3.86Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.81Å; W171-E176 PolarHBondContact O-N 2.87Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.06Å; A174-E176 PolarHBondContact O-N 2.72Å; E176-E178 PolarHBondContact O-N 3.48Å; E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; E176-Q179 PolarHBondContact OE2-NE2 2.84Å; E176-W180 PolarHBondContact O-N 2.86Å
177	A	98.4	Very high	98.2	Very high	9 Å²	9	70.3 Å²	70.3	7%	0.074	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-33.2	176.8	0	0	0	0	0	112.7	L150 R155 W157 R175 W180 R181	L150-A177 HydrophobicContact CD1-CB 3.94Å; R155-A177 WeakPolarHBondContact O-CB 3.34Å; W157-A177 HydrophobicContact CZ2-CB 4.28Å; R175-A177 PolarHBondContact O-N 2.87Å; A177-W180 PolarHBondContact O-N 2.84Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.9Å
178	E	98.1	Very high	98.2	Very high	115 Å²	115	69.4 Å²	69.4	54%	0.537	35%	0.345	S	S	.	.	H	α-helix	trans	-67	-37.9	177.2	-63.9	178.2	-175	0	0	111.3	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 IonicContact NH1-OE1 3.19Å; R175-E178 PolarHBondContact NH1-OE1 3.06Å; R175-E178 IonicContact NH1-OE2 2.74Å; R175-E178 WeakPolarHBondContact O-CB 3.31Å; R175-E178 PolarHBondContact O-N 3.29Å; E176-E178 PolarHBondContact O-N 3.48Å; E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 3.19Å; E178-A182 VanDerWaalsContact O-N 3.08Å
179	Q	97.6	Very high	98.2	Very high	120 Å²	120	67.9 Å²	67.9	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-68.5	-45.7	176.8	-60	-176.9	40.8	0	0	111.1	E176 A182 Y183	E176-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 VanDerWaalsContact O-N 3.1Å; E176-Q179 PolarHBondContact OE2-NE2 2.84Å; Q179-A182 PolarHBondContact O-N 3.48Å; Q179-Y183 PolarHBondContact O-N 3.37Å
180	W	98.3	Very high	98.2	Very high	47 Å²	47	66.5 Å²	66.5	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-62.6	-43.7	176.9	-82.5	108.4	0	0	0	112.4	W121 Y123 D138 L150 W157 E176 A177 A182 Y183 L184	W121-W180 AromaticContact CH2-CH2 3.31Å; W121-W180 HydrophobicContact CH2-CH2 3.31Å; W121-W180 AromaticContact CH2-CZ2 3.35Å; W121-W180 HydrophobicContact CH2-CZ2 3.35Å; W121-W180 AromaticContact CZ2-CH2 3.17Å; W121-W180 HydrophobicContact CZ2-CH2 3.17Å; W121-W180 AromaticContact CZ2-CZ2 3.13Å; W121-W180 HydrophobicContact CZ2-CZ2 3.13Å; W121-W180 HydrophobicContact CZ2-CZ3 4.11Å; Y123-W180 HydrophobicContact CD2-CH2 4.49Å; Y123-W180 HydrophobicContact CD2-CZ3 4.03Å; Y123-W180 HydrophobicContact CG-CH2 4.35Å; Y123-W180 HydrophobicContact CG-CZ3 4.11Å; D138-W180 HydrophobicContact CB-CD2 4.41Å; D138-W180 HydrophobicContact CB-CE3 4.48Å; D138-W180 VanDerWaalsContact OD2-CD1 3.29Å; D138-W180 PolarHBondContact OD2-NE1 2.97Å; D138-W180 VanDerWaalsContact OD2-NE1 3.07Å; L150-W180 HydrophobicContact CD2-CB 4Å; W157-W180 AromaticContact CH2-CD1 3.99Å; E176-W180 PolarHBondContact O-N 2.86Å; A177-W180 PolarHBondContact O-N 2.84Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.99Å; W180-Y183 AromaticContact CE3-CD1 3.95Å; W180-Y183 HydrophobicContact CE3-CD1 3.95Å; W180-Y183 AromaticContact CZ3-CD1 3.68Å; W180-Y183 HydrophobicContact CZ3-CD1 3.68Å; W180-Y183 HydrophobicContact CZ3-CE1 4.08Å; W180-Y183 HydrophobicContact CZ3-CG 4.4Å; W180-Y183 PolarHBondContact O-N 3.37Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 2.86Å
181	R	98.4	Very high	98.1	Very high	75 Å²	75	63.4 Å²	63.4	28%	0.283	33%	0.325	S	S	.	.	H	α-helix	trans	-58.4	-45	174.6	-174.7	172.7	-178.6	-141.6	-14.6	112	L154 R155 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 4.1Å; L154-R181 HydrophobicContact CB-CG 3.92Å; L154-R181 HydrophobicContact CD1-CG 4.24Å; R155-R181 VanDerWaalsContact NH2-NH1 3.17Å; A177-R181 WeakPolarHBondContact O-CB 3.34Å; A177-R181 PolarHBondContact O-N 2.9Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 2.86Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.66Å; R181-E185 VanDerWaalsContact CZ-OE1 3.31Å; R181-E185 IonicContact CZ-OE2 2.8Å; R181-E185 IonicContact NE-OE1 2.8Å; R181-E185 PolarHBondContact NE-OE1 3.49Å; R181-E185 IonicContact NE-OE2 3.66Å; R181-E185 PolarHBondContact NE-OE2 3.18Å; R181-E185 IonicContact NH2-OE1 3.03Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 PolarHBondContact NH2-OE2 3.27Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 2.62Å
182	A	98.4	Very high	98.1	Very high	65 Å²	65	60.4 Å²	60.4	54%	0.537	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-40.1	177.3	0	0	0	0	0	112.5	E178 Q179 W180 G186	E178-A182 WeakPolarHBondContact O-CB 3.44Å; E178-A182 PolarHBondContact O-N 3.19Å; E178-A182 VanDerWaalsContact O-N 3.08Å; Q179-A182 PolarHBondContact O-N 3.48Å; W180-A182 VanDerWaalsContact C-N 3.33Å; W180-A182 PolarHBondContact O-N 2.99Å; A182-G186 PolarHBondContact O-N 2.93Å; A182-G186 VanDerWaalsContact O-N 3.13Å
183	Y	98.3	Very high	98	Very high	47 Å²	47	61.5 Å²	61.5	18%	0.184	31%	0.313	C	S	.	.	I	π-helix	trans	-65.5	-48.1	174.1	170.9	-99.8	0	0	0	112	Y123 Q179 W180 R181 G186 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.85Å; Y123-Y183 HydrophobicContact CD2-CE1 3.85Å; Y123-Y183 AromaticContact CE2-CE1 3.87Å; Y123-Y183 HydrophobicContact CE2-CE1 3.87Å; Y123-Y183 AromaticContact CE2-CZ 3.98Å; Q179-Y183 PolarHBondContact O-N 3.37Å; W180-Y183 AromaticContact CE3-CD1 3.95Å; W180-Y183 HydrophobicContact CE3-CD1 3.95Å; W180-Y183 AromaticContact CZ3-CD1 3.68Å; W180-Y183 HydrophobicContact CZ3-CD1 3.68Å; W180-Y183 HydrophobicContact CZ3-CE1 4.08Å; W180-Y183 HydrophobicContact CZ3-CG 4.4Å; W180-Y183 PolarHBondContact O-N 3.37Å; R181-Y183 VanDerWaalsContact C-N 3.34Å; R181-Y183 PolarHBondContact O-N 2.99Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.15Å; Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 3.13Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 2.86Å
184	L	98.6	Very high	98	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.301	C	S	.	.	I	π-helix	trans	-70.3	-39	-174.5	-69.3	171.1	0	0	0	112.7	G124 L150 L154 W180 R181 V189	G124-L184 WeakPolarHBondContact O-CD2 3.37Å; L150-L184 HydrophobicContact CD2-CD1 3.93Å; L154-L184 HydrophobicContact CD2-CD1 3.94Å; W180-L184 WeakPolarHBondContact O-CB 3.4Å; W180-L184 WeakPolarHBondContact O-CG 3.43Å; W180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.86Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å
185	E	97.9	Very high	97.9	Very high	91 Å²	91	60.7 Å²	60.7	43%	0.425	28%	0.28	S	S	.	.	I	π-helix	trans	-79.6	-22.8	176.9	-68.5	-179.4	169.9	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.39Å; L133-E185 HydrophobicContact CD2-CG 3.67Å; L154-E185 HydrophobicContact CD1-CG 4.25Å; R181-E185 HydrophobicContact CG-CG 4.12Å; R181-E185 IonicContact CZ-OE1 2.66Å; R181-E185 VanDerWaalsContact CZ-OE1 3.31Å; R181-E185 IonicContact CZ-OE2 2.8Å; R181-E185 IonicContact NE-OE1 2.8Å; R181-E185 PolarHBondContact NE-OE1 3.49Å; R181-E185 IonicContact NE-OE2 3.66Å; R181-E185 PolarHBondContact NE-OE2 3.18Å; R181-E185 IonicContact NH2-OE1 3.03Å; R181-E185 PolarHBondContact NH2-OE1 3.05Å; R181-E185 IonicContact NH2-OE2 3.82Å; R181-E185 PolarHBondContact NH2-OE2 3.27Å; R181-E185 WeakPolarHBondContact O-CB 3.23Å; R181-E185 WeakPolarHBondContact O-CG 3.5Å; R181-E185 PolarHBondContact O-N 2.62Å
186	G	97.8	Very high	97.8	Very high	21 Å²	21	53.8 Å²	53.8	22%	0.216	26%	0.255	C	S	.	.	I	π-helix	trans	-111.5	-91.1	-176.9	0	0	0	0	0	112.8	A182 Y183 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.93Å; A182-G186 VanDerWaalsContact O-N 3.13Å; Y183-G186 CarbonylContact O-C 3.58Å; Y183-G186 PolarHBondContact O-N 3.15Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.86Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.11Å; G186-E190 WeakPolarHBondContact O-CG 3.25Å; G186-E190 PolarHBondContact O-N 2.82Å
187	T	97.8	Very high	97.7	Very high	53 Å²	53	57.3 Å²	57.3	33%	0.325	27%	0.272	S	S	.	.	I	π-helix	trans	-54.4	-42.5	-170.6	-57.6	0	0	0	0	113.1	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.83Å; Y183-T187 PolarHBondContact O-N 3.13Å; Y183-T187 VanDerWaalsContact O-N 3.1Å; T187-E190 PolarHBondContact O-N 3.2Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 PolarHBondContact O-N 3.49Å
188	C	98.4	Very high	97.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-48.4	179.2	-170.3	0	0	0	0	111.6	M29 C125 Y183 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.22Å; M29-C188 VanDerWaalsContact CE-O 3.26Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.24Å; C125-C188 HydrophobicContact CB-CB 3.92Å; C125-C188 WeakPolarHBondContact CB-SG 3.48Å; C125-C188 PolarHBondContact N-SG 3.2Å; C125-C188 VanDerWaalsContact N-SG 3.37Å; C125-C188 WeakPolarHBondContact SG-CB 3.38Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.89Å; Y183-C188 HydrophobicContact CD1-CB 4.36Å; Y183-C188 HydrophobicContact CE1-CB 3.91Å; Y183-C188 WeakPolarHBondContact O-CB 3.42Å; Y183-C188 PolarHBondContact O-N 2.86Å; G186-C188 VanDerWaalsContact C-N 3.31Å; G186-C188 PolarHBondContact O-N 2.86Å; C188-E190 PolarHBondContact O-N 3.34Å; C188-W191 PolarHBondContact O-N 3.49Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 3.27Å
189	V	98.2	Very high	97.5	Very high	8 Å²	8	54 Å²	54	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-44.7	177.6	177.8	0	0	0	0	111.3	L127 L133 L184 G186 R193	L127-V189 HydrophobicContact CD1-CG1 4.4Å; L127-V189 HydrophobicContact CD2-CB 4.16Å; L127-V189 HydrophobicContact CD2-CG1 3.75Å; L127-V189 HydrophobicContact CD2-CG2 3.83Å; L133-V189 HydrophobicContact CB-CG2 4.07Å; L133-V189 HydrophobicContact CD1-CG2 4.17Å; L184-V189 WeakPolarHBondContact O-CG2 3.32Å; G186-V189 PolarHBondContact O-N 2.84Å; G186-V189 VanDerWaalsContact O-N 3.11Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.42Å
190	E	97.9	Very high	97.3	Very high	127 Å²	127	53.5 Å²	53.5	59%	0.593	25%	0.253	S	S	*	.	H	α-helix	trans	-61.6	-46.1	179.6	-71.6	175	174.5	0	0	112.2	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.25Å; G186-E190 PolarHBondContact O-N 2.82Å; T187-E190 PolarHBondContact O-N 3.2Å; C188-E190 PolarHBondContact O-N 3.34Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191	W	98	Very high	96.9	Very high	44 Å²	44	59.9 Å²	59.9	17%	0.167	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-43	178.6	-81.8	103.1	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.02Å; M29-W191 HydrophobicContact SD-CB 4.35Å; Y83-W191 AromaticContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CH2 3.55Å; Y83-W191 HydrophobicContact CD2-CZ2 4.3Å; Y83-W191 AromaticContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CD2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CE3 4.26Å; Y83-W191 AromaticContact CE2-CH2 3.92Å; Y83-W191 HydrophobicContact CE2-CH2 3.92Å; Y83-W191 AromaticContact CE2-CZ3 3.73Å; Y83-W191 HydrophobicContact CE2-CZ3 3.73Å; T187-W191 VanDerWaalsContact CG2-CD1 3.45Å; T187-W191 PolarHBondContact O-N 3.49Å; C188-W191 PolarHBondContact O-N 3.49Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.77Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.14Å; W191-R194 VanDerWaalsContact O-N 3.16Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.96Å; W191-Y195 HydrophobicContact CZ3-CE1 3.96Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.2Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.95Å
192	L	98.1	Very high	96.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-44.7	177.3	175.1	50	0	0	0	111.1	H27 M29 V52 L127 C188 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.46Å; M29-L192 HydrophobicContact CB-CB 4.05Å; M29-L192 HydrophobicContact CB-CD1 4.03Å; M29-L192 HydrophobicContact CB-CD2 3.95Å; M29-L192 HydrophobicContact CB-CG 4.22Å; M29-L192 HydrophobicContact CE-CB 4.32Å; M29-L192 HydrophobicContact SD-CB 4.42Å; V52-L192 HydrophobicContact CG1-CD1 3.6Å; V52-L192 HydrophobicContact CG2-CD1 4.25Å; L127-L192 HydrophobicContact CB-CD2 4.48Å; L127-L192 HydrophobicContact CD1-CB 4.23Å; L127-L192 HydrophobicContact CD1-CD2 3.7Å; L127-L192 HydrophobicContact CD1-CG 3.74Å; L127-L192 HydrophobicContact CG-CD2 3.58Å; L127-L192 HydrophobicContact CG-CG 4.21Å; C188-L192 WeakPolarHBondContact O-CB 3.4Å; C188-L192 PolarHBondContact O-N 3.27Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.89Å; L192-Y195 PolarHBondContact O-N 3.35Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 3.45Å
193	R	96.6	Very high	96.1	Very high	121 Å²	121	55.6 Å²	55.6	46%	0.457	26%	0.26	S	S	.	.	H	α-helix	trans	-59.5	-43.1	174.3	-72.6	175.1	-177.4	167.8	-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 2.88Å; G131-R193 PolarHBondContact O-NH2 3.06Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.42Å; W191-R193 VanDerWaalsContact C-N 3.34Å; W191-R193 PolarHBondContact O-N 2.77Å; R193-L196 PolarHBondContact O-N 2.69Å; R193-E197 PolarHBondContact O-N 3.34Å
194	R	96.9	Very high	95.6	Very high	122 Å²	122	57.8 Å²	57.8	46%	0.46	27%	0.272	S	S	.	.	H	α-helix	trans	-61.4	-44.1	176.4	178	-179.8	174.8	118.6	-4.1	111.4	E79 E190 W191 L192 E197 N198	E79-R194 IonicContact OE1-CZ 3.88Å; E79-R194 IonicContact OE1-NE 3.45Å; E79-R194 PolarHBondContact OE1-NE 3.39Å; E79-R194 IonicContact OE1-NH2 3.51Å; E79-R194 PolarHBondContact OE1-NH2 2.95Å; E79-R194 IonicContact OE2-CZ 3.56Å; E79-R194 IonicContact OE2-NE 2.77Å; E79-R194 IonicContact OE2-NH2 3.91Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E190-R194 PolarHBondContact O-N 2.87Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.49Å; W191-R194 PolarHBondContact O-N 3.14Å; W191-R194 VanDerWaalsContact O-N 3.16Å; L192-R194 VanDerWaalsContact C-N 3.34Å; L192-R194 PolarHBondContact O-N 2.89Å; R194-E197 PolarHBondContact O-N 3.03Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.38Å; R194-N198 PolarHBondContact O-OD1 3.06Å
195	Y	97.3	Very high	95.2	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-39.4	178.7	-62.2	-32.3	0	0	0	112.6	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.71Å; M29-Y195 HydrophobicContact SD-CE2 3.56Å; M29-Y195 VanDerWaalsContact SD-CE2 3.56Å; V52-Y195 HydrophobicContact CG2-CD2 3.95Å; V52-Y195 HydrophobicContact CG2-CG 4.43Å; F57-Y195 AromaticContact CE2-CE2 3.82Å; F57-Y195 HydrophobicContact CE2-CE2 3.82Å; F57-Y195 AromaticContact CE2-CZ 3.95Å; F57-Y195 HydrophobicContact CZ-CD2 4.39Å; F57-Y195 AromaticContact CZ-CE2 3.82Å; F57-Y195 HydrophobicContact CZ-CE2 3.82Å; W75-Y195 HydrophobicContact CE3-CD1 4.22Å; W75-Y195 HydrophobicContact CE3-CG 4.47Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CG 4.11Å; W75-Y195 AromaticContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD1 3.55Å; W75-Y195 HydrophobicContact CZ3-CD2 4.3Å; W75-Y195 HydrophobicContact CZ3-CE1 4.27Å; W75-Y195 AromaticContact CZ3-CG 3.57Å; W75-Y195 HydrophobicContact CZ3-CG 3.57Å; V76-Y195 HydrophobicContact CG2-CE1 4.41Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.41Å; Y83-Y195 PolarHBondContact OH-OH 3.2Å; W191-Y195 HydrophobicContact CB-CE2 4.02Å; W191-Y195 HydrophobicContact CE3-CD1 4.46Å; W191-Y195 AromaticContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE1 3.57Å; W191-Y195 HydrophobicContact CE3-CE2 4.21Å; W191-Y195 AromaticContact CE3-CZ 3.41Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.41Å; W191-Y195 AromaticContact CZ3-CE1 3.96Å; W191-Y195 HydrophobicContact CZ3-CE1 3.96Å; W191-Y195 VanDerWaalsContact O-CD2 3.26Å; W191-Y195 WeakPolarHBondContact O-CD2 3.2Å; W191-Y195 VanDerWaalsContact O-CG 3.25Å; W191-Y195 PolarHBondContact O-N 2.95Å; L192-Y195 PolarHBondContact O-N 3.35Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.1Å; Y195-N198 PolarHBondContact O-N 3.03Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.49Å; Y195-L203 WeakPolarHBondContact O-CD1 3.21Å
196	L	95.8	Very high	94.9	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.068	28%	0.282	C	S	.	.	H	α-helix	trans	-62.9	-36	174.5	-71.1	169.5	0	0	0	112.4	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.67Å; H27-L196 HydrophobicContact CB-CD2 3.99Å; H27-L196 HydrophobicContact CB-CG 4.41Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.4Å; V52-L196 HydrophobicContact CG1-CD2 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.82Å; L192-L196 HydrophobicContact CD1-CD2 4.36Å; L192-L196 HydrophobicContact CD1-CG 3.81Å; L192-L196 HydrophobicContact CG-CD1 4.01Å; L192-L196 HydrophobicContact CG-CG 4.46Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.43Å; L192-L196 PolarHBondContact O-N 3.45Å; R193-L196 PolarHBondContact O-N 2.69Å; L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.22Å; L196-K200 VanDerWaalsContact O-N 3.11Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; L196-Q204 PolarHBondContact O-NE2 3.05Å
197	E	95.5	Very high	94.7	Very high	125 Å²	125	61.4 Å²	61.4	58%	0.584	29%	0.286	S	S	*	.	H	α-helix	trans	-72	-47.7	174.5	-171.5	60.3	-152.2	0	0	111.2	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.34Å; R194-E197 PolarHBondContact O-N 3.03Å; Y195-E197 VanDerWaalsContact C-N 3.29Å; Y195-E197 PolarHBondContact O-N 3.1Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.86Å; E197-K200 WeakPolarHBondContact O-CB 3.32Å; E197-K200 PolarHBondContact O-N 3.42Å
198	N	96.3	Very high	94.6	Very high	52 Å²	52	63.4 Å²	63.4	28%	0.278	29%	0.292	S	S	.	.	H	α-helix	trans	-60.9	-39.6	178.9	-71.2	-5.2	0	0	0	112.6	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.41Å; Q78-N198 VanDerWaalsContact NE2-CB 3.26Å; Q78-N198 PolarHBondContact NE2-ND2 3.36Å; Q78-N198 PolarHBondContact NE2-OD1 2.87Å; E79-N198 PolarHBondContact OE1-ND2 2.93Å; R194-N198 VanDerWaalsContact O-CB 3.32Å; R194-N198 WeakPolarHBondContact O-CB 3.45Å; R194-N198 PolarHBondContact O-N 3.38Å; R194-N198 PolarHBondContact O-OD1 3.06Å; Y195-N198 PolarHBondContact O-N 3.03Å
199	G	95.2	Very high	94.5	Very high	2 Å²	2	63.8 Å²	63.8	2%	0.021	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	19.6	-175.8	0	0	0	0	0	113.7	Y195 E197 E201 T202 L203	Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 3.49Å; E197-G199 VanDerWaalsContact C-N 3.31Å; E197-G199 PolarHBondContact O-N 2.86Å; G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.33Å; G199-E201 VanDerWaalsContact O-N 3.16Å; G199-T202 CarbonylContact O-C 3.54Å; G199-T202 PolarHBondContact O-N 2.83Å; G199-T202 PolarHBondContact O-OG1 3.45Å; G199-L203 WeakPolarHBondContact O-CB 3.18Å; G199-L203 PolarHBondContact O-N 3Å
200	K	92.9	Very high	94.5	Very high	110 Å²	110	70.9 Å²	70.9	48%	0.478	32%	0.324	S	S	.	.	H	α-helix	trans	-49.6	-44	-171.9	-177	172.4	-173.8	172.8	0	113.9	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.18Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.22Å; L196-K200 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.32Å; E197-K200 PolarHBondContact O-N 3.42Å; K200-T202 PolarHBondContact O-N 2.04Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 3.37Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
201	E	90.2	Very high	94.5	Very high	181 Å²	181	66.4 Å²	66.4	85%	0.846	31%	0.306	S	S	*	.	H	α-helix	trans	-64.4	-26.3	179.7	-62.5	-174.9	167.6	0	0	113.3	G199 R205	G199-E201 VanDerWaalsContact C-N 3.27Å; G199-E201 PolarHBondContact O-N 3.33Å; G199-E201 VanDerWaalsContact O-N 3.16Å; E201-R205 WeakPolarHBondContact O-CD 3.03Å
202	T	89.6	Confident	94.5	Very high	46 Å²	46	68.1 Å²	68.1	28%	0.282	32%	0.315	S	S	.	.	H	α-helix	trans	-105.1	-32.7	-175.8	51.7	0	0	0	0	114.6	W75 G199 K200 R205	W75-T202 VanDerWaalsContact CD1-OG1 3.23Å; G199-T202 CarbonylContact O-C 3.54Å; G199-T202 PolarHBondContact O-N 2.83Å; G199-T202 PolarHBondContact O-OG1 3.45Å; K200-T202 PolarHBondContact O-N 2.04Å; T202-R205 WeakPolarHBondContact O-CD 3.31Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.06Å; T202-R205 PolarHBondContact O-NE 3.4Å
203	L	90.8	Very high	94.5	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-96.8	-29	-173.3	-64.2	172	0	0	0	112.3	V52 T55 W75 Y195 L196 G199	V52-L203 HydrophobicContact CB-CD1 4.27Å; V52-L203 HydrophobicContact CB-CD2 4.16Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.08Å; T55-L203 HydrophobicContact CG2-CD2 4.14Å; W75-L203 HydrophobicContact CD2-CD1 4.43Å; W75-L203 HydrophobicContact CH2-CD1 4.43Å; W75-L203 HydrophobicContact CZ2-CD1 3.86Å; W75-L203 HydrophobicContact CZ2-CD2 4.19Å; W75-L203 HydrophobicContact CZ2-CG 4.44Å; Y195-L203 WeakPolarHBondContact O-CD1 3.21Å; L196-L203 HydrophobicContact CD2-CB 4.15Å; L196-L203 HydrophobicContact CD2-CD1 4.32Å; G199-L203 WeakPolarHBondContact O-CB 3.18Å; G199-L203 PolarHBondContact O-N 3Å
204	Q	88.3	Confident	94.5	Very high	92 Å²	92	65 Å²	65	43%	0.43	31%	0.309	S	S	.	.	S	Bend	trans	-101.9	21.2	177.7	-57.4	178.3	31.6	0	0	111.7	L196 K200	L196-Q204 PolarHBondContact O-NE2 3.05Å; K200-Q204 WeakPolarHBondContact O-CB 3.33Å; K200-Q204 PolarHBondContact O-N 3.37Å; K200-Q204 VanDerWaalsContact O-N 3.17Å
205	R	89.2	Confident	94.4	Very high	87 Å²	87	61.8 Å²	61.8	33%	0.328	30%	0.3	S	S	.	.			trans	-94.8	146.7	171.2	73.5	-172.6	169.4	151.7	12.1	109.1	E201 T202 E207 Y233	E201-R205 WeakPolarHBondContact O-CD 3.03Å; T202-R205 WeakPolarHBondContact O-CD 3.31Å; T202-R205 VanDerWaalsContact O-CG 3.31Å; T202-R205 WeakPolarHBondContact O-CG 3.06Å; T202-R205 PolarHBondContact O-NE 3.4Å; R205-E207 IonicContact CZ-OE1 3.86Å; R205-E207 IonicContact NE-OE1 3.72Å; R205-E207 IonicContact NH1-OE1 3.54Å; R205-E207 PolarHBondContact NH1-OE1 2.94Å; R205-E207 IonicContact NH2-OE1 2.78Å; R205-Y233 HydrophobicContact CG-CD1 4.18Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å
206	A	91.7	Very high	94.3	Very high	39 Å²	39	65.4 Å²	65.4	32%	0.322	32%	0.316	S	S	.	.			trans	-117.4	121.5	164.1	0	0	0	0	0	108.5	Y233	A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.34Å
207	E	93.9	Very high	94.3	Very high	63 Å²	63	69.6 Å²	69.6	29%	0.294	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-97.9	119	173.2	-67.1	-169.7	-153.5	0	0	108.7	R205 F232 Y233 H287	R205-E207 IonicContact CZ-OE1 3.86Å; R205-E207 IonicContact NE-OE1 3.72Å; R205-E207 IonicContact NH1-OE1 3.54Å; R205-E207 PolarHBondContact NH1-OE1 2.94Å; R205-E207 IonicContact NH2-OE1 2.78Å; E207-F232 WeakPolarHBondContact O-CA 3.16Å; E207-F232 WeakPolarHBondContact O-CB 3.46Å; E207-Y233 PolarHBondContact N-O 2.84Å; E207-Y233 PolarHBondContact O-N 2.95Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; E207-H287 PolarHBondContact O-CE1 2.79Å; E207-H287 VanDerWaalsContact O-CE1 3.23Å
208	H	95.2	Very high	94.1	Very high	95 Å²	95	68.2 Å²	68.2	44%	0.44	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-68.6	144.8	-178.6	-54.6	-102.5	0	0	0	111.8	K210 G289 L290	H208-K210 PolarHBondContact O-N 2.91Å; H208-G289 PolarHBondContact CE1-O 3.09Å; H208-G289 PolarHBondContact ND1-O 3.45Å; H208-L290 HydrophobicContact CB-CD2 4.08Å; H208-L290 WeakPolarHBondContact ND1-CA 3.2Å; H208-L290 PolarHBondContact ND1-N 2.99Å
209	P	97.6	Very high	93.9	Very high	8 Å²	8	68.2 Å²	68.2	5%	0.052	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-66.8	131.6	176.2	28.3	-34.9	0	0	0	111.8	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.91Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.37Å; P209-A229 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; P209-V285 HydrophobicContact CG-CG1 3.93Å; P209-H287 HydrophobicContact CG-CB 4.13Å; P209-L290 HydrophobicContact CG-CD1 3.76Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.16Å
210	K	97.8	Very high	93.6	Very high	156 Å²	156	75.2 Å²	75.2	68%	0.678	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	109.3	164.3	-64.7	171.8	-171.7	164.7	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 2.91Å; K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 2.82Å
211	T	97.8	Very high	93.7	Very high	34 Å²	34	76.9 Å²	76.9	21%	0.209	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.8	-171.3	58.8	0	0	0	0	113.4	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.91Å; P209-T211 HydrophobicContact CG-CG2 4.12Å; P209-T211 PolarHBondContact O-N 3.37Å; T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; T211-L294 HydrophobicContact CG2-CD1 4.36Å; T211-L296 HydrophobicContact CG2-CD1 4.12Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.47Å
212	H	97.2	Very high	93.9	Very high	79 Å²	79	72.7 Å²	72.7	37%	0.366	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	160.9	171.7	62.8	-76.7	0	0	0	110.6	W228	H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.15Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.8Å
213	V	98.2	Very high	94.2	Very high	21 Å²	21	70.5 Å²	70.5	13%	0.127	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.1	176.7	-179.4	0	0	0	0	109.4	L225 R226 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.42Å; V213-C227 HydrophobicContact CG2-CB 4.45Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.84Å
214	T	96.9	Very high	94.6	Very high	34 Å²	34	71.4 Å²	71.4	21%	0.209	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	148.3	172	63.6	0	0	0	0	110.8	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-NE2 2.91Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 3.39Å; T214-W228 PolarHBondContact OG1-NE1 3.03Å
215	H	96.3	Very high	95	Very high	55 Å²	55	67 Å²	67	26%	0.255	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	127.3	178.8	169.6	-93	0	0	0	109.6	A223 L225 E278 W298	H215-A223 WeakPolarHBondContact NE2-CB 3.34Å; H215-L225 HydrophobicContact CB-CD2 4Å; H215-E278 IonicContact NE2-OE1 3.59Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.96Å
216	H	95.1	Very high	95.5	Very high	77 Å²	77	65.4 Å²	65.4	36%	0.356	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	104.4	-178.5	-56.8	-69.6	0	0	0	109.3	T214 V218 A223 T224 R226	T214-H216 PolarHBondContact OG1-NE2 2.91Å; H216-V218 PolarHBondContact O-N 2.88Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; H216-T224 PolarHBondContact N-O 3.02Å; H216-T224 PolarHBondContact O-N 2.82Å; H216-R226 PolarHBondContact CD2-NH1 2.7Å; H216-R226 PolarHBondContact NE2-NH1 3.04Å; H216-R226 VanDerWaalsContact NE2-NH1 3.18Å
217	P	94.1	Very high	95.8	Very high	102 Å²	102	63.6 Å²	63.6	66%	0.662	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	131.8	173.7	-20.1	30.3	0	0	0	110.7
218	V	91.6	Very high	96	Very high	95 Å²	95	63 Å²	63	58%	0.576	32%	0.321	S	S	*	.			trans	-105.4	-41.5	176.1	-179	0	0	0	0	110.1	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.88Å; V218-E222 PolarHBondContact N-O 2.88Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.29Å
219	S	92.6	Very high	96.1	Very high	52 Å²	52	58.5 Å²	58.5	36%	0.364	30%	0.3	S	S	.	.	S	Bend	trans	-147.5	-178.7	174.6	72.8	0	0	0	0	110.4	H221 E222	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.81Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 2.93Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.16Å
220	D	89.8	Confident	96.2	Very high	149 Å²	149	60.8 Å²	60.8	80%	0.797	31%	0.312	S	S	*	.	S	Bend	trans	-63.5	-19.6	172.4	-65.8	-22	0	0	0	112.5	S275	D220-S275 PolarHBondContact O-OG 3.11Å
221	H	93.4	Very high	96.2	Very high	146 Å²	146	54.2 Å²	54.2	68%	0.676	29%	0.288	S	S	*	.	S	Bend	trans	-105.5	-16.7	-174.4	-55.1	-50.6	0	0	0	113.9	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.17Å; S219-H221 PolarHBondContact OG-N 2.81Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 WeakPolarHBondContact O-CA 3.22Å; H221-S275 PolarHBondContact O-N 3.28Å; H221-S275 PolarHBondContact O-OG 2.71Å
222	E	95.4	Very high	96.1	Very high	92 Å²	92	52.6 Å²	52.6	43%	0.43	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.5	-171	-66.1	178.5	171.1	0	0	112.5	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 2.88Å; S219-E222 PolarHBondContact N-O 2.93Å; S219-E222 VanDerWaalsContact O-O 3.09Å; S219-E222 PolarHBondContact OG-N 3.16Å; E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; E222-V273 WeakPolarHBondContact CA-O 3.49Å; E222-S275 PolarHBondContact N-OG 2.89Å
223	A	96.1	Very high	96	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	157.3	171.3	0	0	0	0	0	110.9	H215 H216 V272 V273	H215-A223 WeakPolarHBondContact NE2-CB 3.34Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.03Å; A223-V272 WeakPolarHBondContact O-CA 3.46Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.42Å; A223-V273 PolarHBondContact O-N 2.87Å
224	T	97.6	Very high	95.9	Very high	23 Å²	23	48.8 Å²	48.8	14%	0.141	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123	170.6	-54.9	0	0	0	0	109.4	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.02Å; H216-T224 PolarHBondContact O-N 2.82Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.29Å; T224-A270 HydrophobicContact CG2-CB 3.94Å; T224-V271 WeakPolarHBondContact CA-O 3.48Å
225	L	98.1	Very high	95.8	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.2	165.2	-62.8	-177.1	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.33Å; V213-L225 HydrophobicContact CG1-CD2 4.39Å; T214-L225 WeakPolarHBondContact O-CA 3.47Å; H215-L225 HydrophobicContact CB-CD2 4Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.01Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.36Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.98Å
226	R	98.3	Very high	95.8	Very high	53 Å²	53	52.3 Å²	52.3	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.6	176.4	-176.6	178.9	-65.9	114.3	0.8	110.2	V213 T214 H216 W228 W268 A269 A270	V213-R226 CarbonylContact C-O 3.55Å; V213-R226 WeakPolarHBondContact CA-O 3.42Å; T214-R226 PolarHBondContact N-O 2.92Å; T214-R226 PolarHBondContact O-N 3.39Å; H216-R226 PolarHBondContact CD2-NH1 2.7Å; H216-R226 PolarHBondContact NE2-NH1 3.04Å; H216-R226 VanDerWaalsContact NE2-NH1 3.18Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.2Å; R226-A269 WeakPolarHBondContact CA-O 3.26Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.18Å
227	C	98.3	Very high	95.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121.5	174.7	-173.3	0	0	0	0	109.4	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.45Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 3.03Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.37Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å
228	W	98.4	Very high	96	Very high	52 Å²	52	47 Å²	47	20%	0.197	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	141.1	179.3	-70.3	89.1	0	0	0	110.6	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.35Å; H212-W228 VanDerWaalsContact CE1-CB 3.44Å; H212-W228 WeakPolarHBondContact CE1-CB 3.37Å; H212-W228 AromaticContact CE1-CD1 3.99Å; H212-W228 AromaticContact CE1-CG 3.73Å; H212-W228 PolarHBondContact N-O 3.15Å; H212-W228 AromaticContact NE2-CD1 3.54Å; H212-W228 AromaticContact NE2-CG 3.73Å; H212-W228 PolarHBondContact O-N 2.8Å; T214-W228 PolarHBondContact OG1-NE1 3.03Å; R226-W228 HydrophobicContact CG-CZ2 4.43Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å
229	A	98.4	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.7	162.1	0	0	0	0	0	107.7	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.87Å; T211-A229 HydrophobicContact CG2-CB 4.31Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.47Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; A229-K267 PolarHBondContact N-O 3.4Å; A229-K267 PolarHBondContact O-N 2.95Å; A229-K267 VanDerWaalsContact O-O 3.09Å
230	L	98.2	Very high	96.5	Very high	56 Å²	56	42.2 Å²	42.2	29%	0.293	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146.9	-174.9	-58.3	177.1	0	0	0	110.9	K210 W228 Q266	K210-L230 HydrophobicContact CB-CB 4.5Å; K210-L230 PolarHBondContact N-O 3.07Å; K210-L230 PolarHBondContact O-N 2.82Å; W228-L230 HydrophobicContact CE3-CD2 3.84Å; W228-L230 HydrophobicContact CZ3-CD2 4.37Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å
231	G	97.3	Very high	96.9	Very high	17 Å²	17	35.2 Å²	35.2	18%	0.175	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	68.2	35.8	168.4	0	0	0	0	0	113.7	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.47Å; G231-F265 PolarHBondContact N-O 3.41Å
232	F	97.1	Very high	97.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	155.4	179	59.2	-90.4	0	0	0	112.3	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.16Å; E207-F232 WeakPolarHBondContact O-CB 3.46Å; P209-F232 HydrophobicContact CB-CB 3.87Å; P209-F232 HydrophobicContact CB-CD1 3.93Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.79Å; A229-F232 WeakPolarHBondContact O-CE1 3.47Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.09Å; F232-F265 PolarHBondContact O-N 2.99Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95.3	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-151.9	135.7	174	177.4	-84.8	0	0	0	108.7	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4.11Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.33Å; T55-Y233 PolarHBondContact OG1-OH 2.96Å; T55-Y233 VanDerWaalsContact OG1-OH 3.06Å; R205-Y233 HydrophobicContact CG-CD1 4.18Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.38Å; A206-Y233 CarbonylContact C-O 3.58Å; A206-Y233 WeakPolarHBondContact CA-O 3.34Å; E207-Y233 PolarHBondContact N-O 2.84Å; E207-Y233 PolarHBondContact O-N 2.95Å; E207-Y233 VanDerWaalsContact O-N 3.08Å; Y233-G263 WeakPolarHBondContact CD2-O 3.49Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; Y233-H287 PolarHBondContact O-CE1 3.27Å
234	P	94.8	Very high	97.2	Very high	19 Å²	19	34.1 Å²	34.1	12%	0.123	17%	0.174	C	C	.	.	S	Bend	cis	-71.6	178.5	2.7	30.3	-36.6	0	0	0	113.4	D54 F232 E236 H287	D54-P234 VanDerWaalsContact OD2-CB 3.28Å; D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.49Å; P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.82Å; P234-H287 PolarHBondContact O-NE2 3.43Å
235	A	96	Very high	96.9	Very high	14 Å²	14	35.3 Å²	35.3	12%	0.116	19%	0.191	C	C	.	.	S	Bend	trans	-70.7	-24.9	-175.4	0	0	0	0	0	113.8	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.27Å; D54-A235 VanDerWaalsContact CG-CB 3.49Å; D54-A235 WeakPolarHBondContact OD2-CB 3.16Å; D54-A235 PolarHBondContact OD2-N 2.9Å; A235-I237 PolarHBondContact O-N 3Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236	E	95.3	Very high	96.8	Very high	148 Å²	148	42.3 Å²	42.3	69%	0.692	22%	0.224	S	C	*	.			trans	-64.5	117	179.1	-171.5	57.8	-143.1	0	0	110.1	P234 H287	P234-E236 VanDerWaalsContact C-N 3.32Å; P234-E236 PolarHBondContact O-N 2.82Å; E236-H287 PolarHBondContact O-CD2 3.08Å
237	I	96.4	Very high	96.6	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.051	24%	0.238	C	C	.	.			trans	-152.7	141.5	-178.3	-163.8	171.1	0	0	0	109.5	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.13Å; A229-I237 HydrophobicContact CB-CD1 3.7Å; F232-I237 HydrophobicContact CD1-CD1 3.88Å; F232-I237 HydrophobicContact CD2-CB 4.28Å; F232-I237 HydrophobicContact CD2-CD1 3.97Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.44Å; F232-I237 HydrophobicContact CE2-CB 3.76Å; F232-I237 HydrophobicContact CE2-CD1 3.92Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.58Å; F232-I237 HydrophobicContact CG-CD1 3.98Å; F232-I237 HydrophobicContact CZ-CB 4.14Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.54Å; A235-I237 PolarHBondContact O-N 3Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; I237-H287 HydrophobicContact CD1-CB 4.28Å; I237-H287 HydrophobicContact CG1-CB 4.05Å
238	T	97.1	Very high	96.5	Very high	58 Å²	58	45.6 Å²	45.6	36%	0.356	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	122.8	174.3	-63.1	0	0	0	0	110.1	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; T238-Q286 PolarHBondContact N-O 3.3Å; T238-Q286 PolarHBondContact O-N 3.19Å
239	L	97.8	Very high	96	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.3	173	-87.5	63.2	0	0	0	108.5	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 4.05Å; A229-L239 HydrophobicContact CB-CD2 4.18Å; I237-L239 HydrophobicContact CB-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD1 3.66Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.07Å; L239-L254 HydrophobicContact CB-CD1 4.15Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; L239-H284 WeakPolarHBondContact CA-O 3.26Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.35Å
240	T	97.5	Very high	95.5	Very high	39 Å²	39	57.2 Å²	57.2	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.2	176.2	58.2	0	0	0	0	111.5	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.42Å; T240-H284 PolarHBondContact N-O 3.36Å; T240-H284 PolarHBondContact O-N 3.01Å
241	W	98.2	Very high	94.9	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.1	169.2	-82.8	103.1	0	0	0	110	V213 L225 C227 Q248 A269 V271 T282 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.29Å; L225-W241 HydrophobicContact CB-CH2 3.67Å; L225-W241 HydrophobicContact CB-CZ2 3.8Å; L225-W241 HydrophobicContact CB-CZ3 4.46Å; L225-W241 HydrophobicContact CD1-CH2 4.01Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.49Å; C227-W241 HydrophobicContact CB-CZ2 3.64Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.47Å; W241-A269 PolarHBondContact NE1-O 2.88Å; W241-V271 HydrophobicContact CB-CG1 3.66Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.59Å; W241-V271 HydrophobicContact CE3-CG2 3.97Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.45Å; W241-T282 WeakPolarHBondContact CA-O 3.48Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å
242	Q	97.9	Very high	94.8	Very high	41 Å²	41	60.5 Å²	60.5	19%	0.192	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.1	171.9	-70.2	-174	-5.5	0	0	110.4	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 3.28Å; Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.35Å; Q242-T282 PolarHBondContact N-O 2.76Å; Q242-T282 PolarHBondContact O-N 2.8Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å
243	R	97.4	Very high	94.8	Very high	73 Å²	73	66 Å²	66	28%	0.275	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.3	169.1	-177.8	-171.6	-178.6	179.4	1.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.38Å; R243-E246 PolarHBondContact N-O 2.89Å; R243-E246 PolarHBondContact O-N 2.85Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; R243-E277 IonicContact CZ-OE2 2.62Å; R243-E277 IonicContact NE-OE2 3.44Å; R243-E277 IonicContact NH2-OE1 2.8Å; R243-E277 IonicContact NH2-OE2 3.11Å; R243-E277 PolarHBondContact NH2-OE2 3.49Å; R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.42Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å
244	D	95.4	Very high	94.9	Very high	102 Å²	102	70.2 Å²	70.2	55%	0.545	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	29.5	-175.1	-53.6	-51	0	0	0	114.2	R280	D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.93Å; D244-R280 IonicContact OD2-NE 3.33Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.75Å; D244-R280 PolarHBondContact OD2-NH2 2.73Å
245	G	91.6	Very high	94.9	Very high	49 Å²	49	70.9 Å²	70.9	51%	0.505	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	-0.9	-177.8	0	0	0	0	0	115.6	R243	R243-G245 PolarHBondContact O-N 3.38Å
246	E	95.5	Very high	95	Very high	146 Å²	146	78.4 Å²	78.4	68%	0.682	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	127.2	175.9	-63.2	-172.7	169.2	0	0	111.8	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.54Å; Q242-E246 VanDerWaalsContact CA-O 3.25Å; Q242-E246 WeakPolarHBondContact CA-O 3.39Å; R243-E246 PolarHBondContact N-O 2.89Å; R243-E246 PolarHBondContact O-N 2.85Å; E246-Q248 PolarHBondContact O-NE2 2.85Å
247	D	95.2	Very high	95.1	Very high	96 Å²	96	73.6 Å²	73.6	51%	0.513	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	134.7	-179.7	-70	-25.7	0	0	0	112.4	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.41Å; Q242-D247 PolarHBondContact NE2-OD1 3.28Å
248	Q	95.1	Very high	95.1	Very high	26 Å²	26	77.4 Å²	77.4	12%	0.121	40%	0.402	C	S	.	.			trans	-105.3	35.8	-177.6	-57.8	-60.6	-68.2	0	0	112.4	W241 R243 E246 Q250 D251 T252 V271 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 3.47Å; R243-Q248 HydrophobicContact CB-CG 3.99Å; E246-Q248 PolarHBondContact O-NE2 2.85Å; Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.08Å; Q248-D251 PolarHBondContact O-N 3.13Å; Q248-D251 VanDerWaalsContact O-N 3.16Å; Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.27Å; Q248-T252 PolarHBondContact O-OG1 3.03Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å
249	T	88.3	Confident	95.1	Very high	106 Å²	106	79 Å²	79	65%	0.65	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-35.8	-169.2	-46.4	0	0	0	0	114.1
250	Q	88.2	Confident	95	Very high	190 Å²	190	81 Å²	81	89%	0.888	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-31.4	-178.7	-65.8	-174.6	9.1	0	0	113.2	Q248	Q248-Q250 VanDerWaalsContact C-N 3.29Å; Q248-Q250 PolarHBondContact O-N 3.08Å
251	D	86.8	Confident	94.8	Very high	119 Å²	119	82.9 Å²	82.9	64%	0.636	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.5	-177.8	-58	-51.5	0	0	0	112.3	Q248	Q248-D251 PolarHBondContact O-N 3.13Å; Q248-D251 VanDerWaalsContact O-N 3.16Å
252	T	94.6	Very high	94.5	Very high	24 Å²	24	88.1 Å²	88.1	15%	0.147	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	120.5	179.4	-61.8	0	0	0	0	110.8	Q248 L254 A269 A270 V271	Q248-T252 WeakPolarHBondContact O-CB 3.28Å; Q248-T252 PolarHBondContact O-N 3.27Å; Q248-T252 PolarHBondContact O-OG1 3.03Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.83Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.47Å
253	E	96.4	Very high	94.2	Very high	115 Å²	115	88.2 Å²	88.2	54%	0.537	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	105.1	163.4	-173.9	-174.1	-171.9	0	0	108.9	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 VanDerWaalsContact CD-CH2 3.4Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.5Å; E253-A269 CarbonylContact O-C 3.49Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.43Å; E253-A270 PolarHBondContact O-N 3.22Å
254	L	96.7	Very high	94.1	Very high	90 Å²	90	85 Å²	85	47%	0.471	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.2	178	-173.9	68.2	0	0	0	110	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.15Å; T252-L254 HydrophobicContact CG2-CB 4.42Å; T252-L254 PolarHBondContact O-N 2.83Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
255	V	96.6	Very high	94.2	Very high	34 Å²	34	81.4 Å²	81.4	21%	0.206	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-84.5	153.3	174.6	-64.7	0	0	0	0	112.3	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.43Å; V255-K267 PolarHBondContact O-NZ 3.16Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.1Å
256	E	96.4	Very high	94.5	Very high	171 Å²	171	81.2 Å²	81.2	80%	0.799	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-57.7	147.3	167.5	-68	-175.9	173.6	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.11Å
257	T	97.7	Very high	94.7	Very high	47 Å²	47	75.2 Å²	75.2	29%	0.288	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.6	130.4	174.6	-56.4	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.07Å; F232-T257 HydrophobicContact CZ-CG2 3.91Å; A235-T257 HydrophobicContact CB-CG2 4.3Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; T257-K267 WeakPolarHBondContact OG1-CD 3.15Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
258	R	97.1	Very high	94.8	Very high	91 Å²	91	71.8 Å²	71.8	34%	0.343	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.2	-174.4	68.1	-168.2	-178.4	-161.8	1.2	111.3	E256 F265 Q266	E256-R258 PolarHBondContact O-N 3.11Å; R258-F265 WeakPolarHBondContact O-CA 3.32Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.47Å
259	P	96.9	Very high	95	Very high	91 Å²	91	70.6 Å²	70.6	59%	0.591	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.7	178.3	28.4	-34.5	0	0	0	111.1	F265	P259-F265 HydrophobicContact CB-CE1 4.32Å
260	A	96.2	Very high	95.4	Very high	50 Å²	50	65.7 Å²	65.7	41%	0.413	37%	0.368	S	S	.	.			trans	-87.5	-18.3	172.5	0	0	0	0	0	112.8	T264	A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 2.98Å
261	G	92.4	Very high	95.9	Very high	78 Å²	78	56.8 Å²	56.8	80%	0.804	33%	0.327	S	S	*	.	S	Bend	trans	97.1	-7	178.9	0	0	0	0	0	114.9
262	D	92.1	Very high	96.4	Very high	112 Å²	112	55 Å²	55	60%	0.599	32%	0.32	S	S	*	.	S	Bend	trans	-104.8	11.9	176	60.6	1.5	0	0	0	113	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.45Å; D262-T264 PolarHBondContact OD1-N 3.22Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
263	G	90.9	Very high	96.5	Very high	42 Å²	42	53.9 Å²	53.9	43%	0.433	31%	0.313	S	S	.	.	S	Bend	trans	90.2	-2.7	-174.2	0	0	0	0	0	114.2	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.49Å
264	T	96	Very high	96.5	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.043	30%	0.302	C	S	.	.			trans	-103.1	172.8	174	73.8	0	0	0	0	112.4	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.47Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.29Å; A260-T264 PolarHBondContact N-O 2.98Å; D262-T264 WeakPolarHBondContact OD1-CB 3.45Å; D262-T264 PolarHBondContact OD1-N 3.22Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
265	F	97.9	Very high	96.3	Very high	26 Å²	26	49 Å²	49	11%	0.114	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	163	-177.4	-64.1	-86.5	0	0	0	112.3	D54 G231 F232 Y233 A235 T257 R258 P259	D54-F265 HydrophobicContact CB-CE2 3.73Å; D54-F265 HydrophobicContact CB-CZ 3.67Å; G231-F265 PolarHBondContact N-O 3.41Å; F232-F265 VanDerWaalsContact CD1-O 3.32Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.93Å; F232-F265 HydrophobicContact CE1-CB 4.3Å; F232-F265 WeakPolarHBondContact CE1-O 3.31Å; F232-F265 HydrophobicContact CE2-CB 3.47Å; F232-F265 VanDerWaalsContact CE2-CB 3.47Å; F232-F265 HydrophobicContact CE2-CG 4.49Å; F232-F265 HydrophobicContact CG-CB 4.49Å; F232-F265 HydrophobicContact CZ-CB 3.67Å; F232-F265 PolarHBondContact N-O 3.09Å; F232-F265 PolarHBondContact O-N 2.99Å; Y233-F265 HydrophobicContact CD2-CD2 4.48Å; Y233-F265 HydrophobicContact CD2-CE2 4.03Å; A235-F265 HydrophobicContact CB-CD1 3.71Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.7Å; A235-F265 HydrophobicContact CB-CE2 3.68Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.78Å; T257-F265 HydrophobicContact CG2-CD1 3.92Å; T257-F265 HydrophobicContact CG2-CG 4.13Å; R258-F265 WeakPolarHBondContact O-CA 3.32Å; P259-F265 HydrophobicContact CB-CE1 4.32Å
266	Q	98.2	Very high	96.1	Very high	44 Å²	44	50.7 Å²	50.7	21%	0.206	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.1	174.4	44.8	168.1	-25.8	0	0	110	A229 L230 R258	A229-Q266 VanDerWaalsContact O-CA 3.28Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; L230-Q266 HydrophobicContact CD2-CB 3.57Å; R258-Q266 HydrophobicContact CG-CG 3.56Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.49Å; R258-Q266 PolarHBondContact O-N 3.47Å
267	K	98.5	Very high	96	Very high	21 Å²	21	45.1 Å²	45.1	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	154.7	177.1	-162.5	-175.8	-171.7	69.8	0	109	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 3.4Å; A229-K267 PolarHBondContact O-N 2.95Å; A229-K267 VanDerWaalsContact O-O 3.09Å; F232-K267 HydrophobicContact CE1-CB 4.37Å; F232-K267 HydrophobicContact CZ-CB 4.1Å; I237-K267 HydrophobicContact CG2-CB 4.25Å; I237-K267 HydrophobicContact CG2-CD 3.6Å; L239-K267 HydrophobicContact CD1-CD 4.28Å; L239-K267 HydrophobicContact CD2-CB 4.36Å; L239-K267 HydrophobicContact CD2-CG 4.41Å; L254-K267 HydrophobicContact CD1-CD 4.43Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.3Å; V255-K267 WeakPolarHBondContact O-CE 3.33Å; V255-K267 WeakPolarHBondContact O-CG 3.43Å; V255-K267 PolarHBondContact O-NZ 3.16Å; T257-K267 WeakPolarHBondContact OG1-CD 3.15Å; T257-K267 PolarHBondContact OG1-NZ 3.42Å
268	W	98.3	Very high	95.9	Very high	24 Å²	24	43.8 Å²	43.8	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.6	168.9	59.1	-97.3	0	0	0	111.6	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 3.98Å; R226-W268 HydrophobicContact CG-CD2 4.1Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.2Å; C227-W268 CarbonylContact O-C 3.6Å; C227-W268 WeakPolarHBondContact O-CA 3.26Å; C227-W268 WeakPolarHBondContact O-CB 3.38Å; W228-W268 HydrophobicContact CD2-CB 3.97Å; W228-W268 HydrophobicContact CD2-CG 4.46Å; W228-W268 HydrophobicContact CE3-CB 3.9Å; W228-W268 AromaticContact CE3-CD1 3.89Å; W228-W268 HydrophobicContact CE3-CG 4.2Å; W228-W268 HydrophobicContact CG-CB 4.38Å; W228-W268 AromaticContact CH2-CD1 3.66Å; W228-W268 HydrophobicContact CH2-CG 4.29Å; W228-W268 HydrophobicContact CZ3-CB 4.33Å; W228-W268 AromaticContact CZ3-CD1 3.44Å; W228-W268 VanDerWaalsContact CZ3-CD1 3.44Å; W228-W268 HydrophobicContact CZ3-CG 4.13Å; E253-W268 HydrophobicContact CB-CZ3 4.26Å; E253-W268 VanDerWaalsContact CD-CH2 3.4Å; E253-W268 HydrophobicContact CG-CH2 3.93Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.5Å; V255-W268 HydrophobicContact CB-CD2 4.49Å; V255-W268 HydrophobicContact CB-CZ2 4.38Å; V255-W268 HydrophobicContact CG1-CD2 3.96Å; V255-W268 HydrophobicContact CG1-CE3 4.26Å; V255-W268 HydrophobicContact CG1-CH2 3.55Å; V255-W268 HydrophobicContact CG1-CZ2 3.16Å; V255-W268 HydrophobicContact CG1-CZ3 4.07Å; V255-W268 HydrophobicContact CG2-CD2 3.75Å; V255-W268 HydrophobicContact CG2-CE3 4.48Å; V255-W268 HydrophobicContact CG2-CG 3.72Å; V255-W268 HydrophobicContact CG2-CZ2 4.38Å; V255-W268 WeakPolarHBondContact CG2-O 3.47Å; V255-W268 PolarHBondContact N-O 3.1Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
269	A	98.3	Very high	95.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.4	174.3	0	0	0	0	0	108.5	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.26Å; C227-A269 PolarHBondContact N-O 3.44Å; C227-A269 PolarHBondContact O-N 3.03Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.31Å; W241-A269 PolarHBondContact NE1-O 2.88Å; T252-A269 HydrophobicContact CG2-CB 3.91Å; E253-A269 CarbonylContact O-C 3.49Å; E253-A269 WeakPolarHBondContact O-CA 3.28Å; L254-A269 HydrophobicContact CD1-CB 3.63Å
270	A	98	Very high	95.8	Very high	3 Å²	3	43.8 Å²	43.8	3%	0.025	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.8	-179.7	0	0	0	0	0	112.3	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.94Å; L225-A270 CarbonylContact O-C 3.58Å; L225-A270 WeakPolarHBondContact O-CA 3.45Å; R226-A270 HydrophobicContact CB-CB 4.1Å; R226-A270 HydrophobicContact CG-CB 4.18Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 WeakPolarHBondContact CA-O 3.38Å; E253-A270 HydrophobicContact CB-CB 4.42Å; E253-A270 PolarHBondContact N-O 3.43Å; E253-A270 PolarHBondContact O-N 3.22Å; W268-A270 HydrophobicContact CE3-CB 3.95Å; W268-A270 HydrophobicContact CZ3-CB 3.67Å
271	V	97.9	Very high	95.9	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.2	174.3	-73	0	0	0	0	109.5	T224 L225 W241 Q248 T252 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.48Å; L225-V271 HydrophobicContact CB-CG2 4.19Å; L225-V271 PolarHBondContact N-O 3.43Å; L225-V271 PolarHBondContact O-N 3.36Å; W241-V271 HydrophobicContact CB-CG1 3.66Å; W241-V271 HydrophobicContact CB-CG2 4.42Å; W241-V271 HydrophobicContact CD2-CG1 4.3Å; W241-V271 HydrophobicContact CD2-CG2 3.59Å; W241-V271 HydrophobicContact CE3-CG2 3.97Å; W241-V271 HydrophobicContact CG-CB 4.36Å; W241-V271 HydrophobicContact CG-CG1 3.59Å; W241-V271 HydrophobicContact CG-CG2 3.81Å; W241-V271 HydrophobicContact CZ2-CG2 4.25Å; W241-V271 HydrophobicContact CZ3-CG2 4.45Å; Q248-V271 HydrophobicContact CB-CG1 4.43Å; T252-V271 HydrophobicContact CG2-CG1 4.36Å; T252-V271 VanDerWaalsContact OG1-CG1 3.26Å; T252-V271 WeakPolarHBondContact OG1-CG1 3.47Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V271-Y281 HydrophobicContact CG2-CD1 4.07Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å
272	V	97.4	Very high	96.2	Very high	81 Å²	81	38.8 Å²	38.8	49%	0.491	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	129.4	168.6	-178	0	0	0	0	107.9	E222 A223	E222-V272 HydrophobicContact CB-CG1 4.09Å; E222-V272 HydrophobicContact CG-CG1 4.32Å; A223-V272 WeakPolarHBondContact O-CA 3.46Å
273	V	96.6	Very high	96.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	145.1	-175.6	-52.5	0	0	0	0	110.3	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.49Å; A223-V273 HydrophobicContact CB-CG2 4.49Å; A223-V273 PolarHBondContact N-O 3.42Å; A223-V273 PolarHBondContact O-N 2.87Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.07Å; L225-V273 HydrophobicContact CG-CG1 4.19Å; L225-V273 HydrophobicContact CG-CG2 3.86Å; V271-V273 HydrophobicContact CB-CG1 4.41Å; V271-V273 HydrophobicContact CG2-CG1 3.81Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å
274	P	96.4	Very high	96.8	Very high	47 Å²	47	33 Å²	33	31%	0.305	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	140.6	170.9	-20.2	32.4	0	0	0	111.4	H221 G276 E277	H221-P274 WeakPolarHBondContact O-CA 3.22Å; P274-G276 PolarHBondContact O-N 2.87Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.45Å; P274-E277 PolarHBondContact O-N 3.16Å
275	S	93	Very high	96.9	Very high	56 Å²	56	32.6 Å²	32.6	39%	0.392	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	127	174.9	-63.4	0	0	0	0	110.9	D220 H221 E222 E278	D220-S275 PolarHBondContact O-OG 3.11Å; H221-S275 PolarHBondContact O-N 3.28Å; H221-S275 PolarHBondContact O-OG 2.71Å; E222-S275 PolarHBondContact N-OG 2.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å
276	G	91.9	Very high	96.8	Very high	68 Å²	68	35.9 Å²	35.9	70%	0.701	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.9	-6.3	-178.7	0	0	0	0	0	115	P274 E278	P274-G276 PolarHBondContact O-N 2.87Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.79Å; G276-E278 PolarHBondContact N-OE2 3.36Å
277	E	95.4	Very high	96.7	Very high	54 Å²	54	34.1 Å²	34.1	25%	0.252	19%	0.189	S	C	.	.			trans	-99.3	3.4	174.8	-66.1	-160.8	-163.4	0	0	113.6	R243 P274 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 2.62Å; R243-E277 IonicContact NE-OE2 3.44Å; R243-E277 IonicContact NH2-OE1 2.8Å; R243-E277 IonicContact NH2-OE2 3.11Å; R243-E277 PolarHBondContact NH2-OE2 3.49Å; P274-E277 HydrophobicContact CB-CB 4.31Å; P274-E277 HydrophobicContact CB-CG 4.12Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.45Å; P274-E277 PolarHBondContact O-N 3.16Å; E277-Q279 PolarHBondContact O-N 3.38Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.68Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.75Å; E277-R280 IonicContact OE2-NH1 3.87Å; E277-R280 PolarHBondContact OE2-NH1 3.03Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å
278	E	95.1	Very high	96.4	Very high	19 Å²	19	36.4 Å²	36.4	9%	0.089	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33.1	-170.6	-56.9	81.7	-179.6	0	0	112.7	H215 L225 V273 S275 G276 R280 Y281 W298	H215-E278 IonicContact NE2-OE1 3.59Å; L225-E278 HydrophobicContact CD1-CB 4.11Å; L225-E278 HydrophobicContact CD2-CB 4.49Å; L225-E278 HydrophobicContact CD2-CG 4.35Å; V273-E278 HydrophobicContact CG2-CG 3.92Å; S275-E278 WeakPolarHBondContact CA-OE1 3.19Å; G276-E278 WeakPolarHBondContact CA-OE2 3.33Å; G276-E278 VanDerWaalsContact N-CD 3.29Å; G276-E278 PolarHBondContact N-OE1 2.79Å; G276-E278 PolarHBondContact N-OE2 3.36Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.84Å; E278-Y281 PolarHBondContact O-N 3.38Å; 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 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å
279	Q	95.3	Very high	96	Very high	89 Å²	89	35.7 Å²	35.7	42%	0.416	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-72.5	-14.8	-179.5	-63.3	-57.6	-47.4	0	0	114.2	E277 Y281 W298	E277-Q279 PolarHBondContact O-N 3.38Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å; Q279-W298 PolarHBondContact NE2-O 3.39Å
280	R	96.7	Very high	95.8	Very high	94 Å²	94	36.2 Å²	36.2	36%	0.355	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-77.2	-16.4	172.9	-63.3	173.4	66.5	-179.1	4.5	112.1	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.3Å; R243-R280 HydrophobicContact CG-CB 4.42Å; D244-R280 PolarHBondContact N-O 2.82Å; D244-R280 IonicContact OD1-NE 3.39Å; D244-R280 PolarHBondContact OD1-NE 2.89Å; D244-R280 IonicContact OD2-CZ 3.93Å; D244-R280 IonicContact OD2-NE 3.33Å; D244-R280 PolarHBondContact OD2-NE 2.85Å; D244-R280 IonicContact OD2-NH2 2.75Å; D244-R280 PolarHBondContact OD2-NH2 2.73Å; E277-R280 VanDerWaalsContact CD-NH1 3.31Å; E277-R280 WeakPolarHBondContact O-CB 3.45Å; E277-R280 PolarHBondContact O-N 2.68Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 IonicContact OE2-CZ 3.52Å; E277-R280 IonicContact OE2-NE 3.75Å; E277-R280 IonicContact OE2-NH1 3.87Å; E277-R280 PolarHBondContact OE2-NH1 3.03Å; E278-R280 VanDerWaalsContact C-N 3.25Å; E278-R280 PolarHBondContact O-N 2.84Å
281	Y	97.6	Very high	95.4	Very high	10 Å²	10	41.4 Å²	41.4	4%	0.039	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.9	-177.7	-68.4	-101.1	0	0	0	111.2	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.56Å; Q242-Y281 VanDerWaalsContact O-CA 3.24Å; Q242-Y281 WeakPolarHBondContact O-CA 3.35Å; R243-Y281 HydrophobicContact CB-CD1 4.1Å; R243-Y281 HydrophobicContact CB-CE1 3.9Å; R243-Y281 HydrophobicContact CG-CD1 4.49Å; R243-Y281 HydrophobicContact CG-CD2 4.5Å; R243-Y281 HydrophobicContact CG-CE1 4.12Å; R243-Y281 HydrophobicContact CG-CE2 4.09Å; Q248-Y281 HydrophobicContact CG-CE1 4.37Å; V271-Y281 HydrophobicContact CG2-CD1 4.07Å; V271-Y281 HydrophobicContact CG2-CE1 4.49Å; V273-Y281 HydrophobicContact CB-CD2 4.05Å; V273-Y281 HydrophobicContact CB-CE2 3.73Å; V273-Y281 HydrophobicContact CG1-CD1 3.72Å; V273-Y281 HydrophobicContact CG1-CD2 3.63Å; V273-Y281 HydrophobicContact CG1-CE1 3.64Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.7Å; E277-Y281 HydrophobicContact CB-CE2 4.4Å; E277-Y281 WeakPolarHBondContact O-CD2 3.49Å; E278-Y281 PolarHBondContact O-N 3.38Å; Q279-Y281 VanDerWaalsContact C-N 3.25Å
282	T	97.9	Very high	95.2	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.074	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134	175.5	46.4	0	0	0	0	110.5	W241 Q242 H284 T295 L296 R297	W241-T282 WeakPolarHBondContact CA-O 3.48Å; W241-T282 VanDerWaalsContact CE3-C 3.43Å; Q242-T282 PolarHBondContact N-O 2.76Å; Q242-T282 PolarHBondContact O-N 2.8Å; T282-H284 PolarHBondContact OG1-NE2 3Å; T282-T295 HydrophobicContact CG2-CG2 3.94Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.27Å
283	C	98.2	Very high	95.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	129.3	169.5	174.2	0	0	0	0	109.5	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.38Å; C227-C283 WeakPolarHBondContact SG-CB 3.37Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 3.23Å; T240-C283 CarbonylContact O-C 3.57Å; T240-C283 WeakPolarHBondContact O-CA 3.42Å; W241-C283 HydrophobicContact CD2-CB 4.15Å; W241-C283 HydrophobicContact CE3-CB 4.11Å; W241-C283 HydrophobicContact CH2-CB 4.02Å; W241-C283 HydrophobicContact CZ2-CB 4.06Å; W241-C283 HydrophobicContact CZ3-CB 4.04Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.31Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.4Å; C283-L296 PolarHBondContact O-N 2.77Å
284	H	97.9	Very high	95.1	Very high	32 Å²	32	50.6 Å²	50.6	15%	0.148	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.5	175.9	-63.6	-101.1	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.26Å; T240-H284 PolarHBondContact N-O 3.36Å; T240-H284 PolarHBondContact O-N 3.01Å; Q242-H284 PolarHBondContact OE1-NE2 2.8Å; T282-H284 PolarHBondContact OG1-NE2 3Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.39Å; H284-T295 PolarHBondContact CE1-OG1 2.75Å; H284-T295 PolarHBondContact ND1-OG1 2.94Å
285	V	97.9	Very high	95.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.7	-178.6	-174.5	0	0	0	0	109.2	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.93Å; T211-V285 HydrophobicContact CG2-CB 4.44Å; T211-V285 HydrophobicContact CG2-CG1 4.16Å; T211-V285 HydrophobicContact CG2-CG2 4.05Å; I237-V285 HydrophobicContact CD1-CG1 3.97Å; I237-V285 HydrophobicContact CG1-CG1 4.31Å; T238-V285 WeakPolarHBondContact O-CA 3.47Å; L239-V285 HydrophobicContact CD1-CG1 4.1Å; L239-V285 HydrophobicContact CG-CG2 4.35Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; V285-P293 WeakPolarHBondContact O-CA 3.43Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.44Å; V285-L296 HydrophobicContact CG2-CD1 4Å
286	Q	97.1	Very high	95.3	Very high	94 Å²	94	51.3 Å²	51.3	44%	0.439	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.6	173.8	-55.9	-179.9	18.7	0	0	109.2	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.3Å; I237-Q286 WeakPolarHBondContact CG1-O 3.48Å; T238-Q286 PolarHBondContact N-O 3.3Å; T238-Q286 PolarHBondContact O-N 3.19Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
287	H	95.4	Very high	95.5	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.037	27%	0.274	C	S	.	.			trans	-157.1	143.8	-177.3	-175	-101.1	0	0	0	108.7	W23 E207 P209 F232 Y233 P234 E236 I237 G289 L290	W23-H287 WeakPolarHBondContact CH2-O 3.47Å; E207-H287 PolarHBondContact O-CE1 2.79Å; E207-H287 VanDerWaalsContact O-CE1 3.23Å; P209-H287 HydrophobicContact CG-CB 4.13Å; F232-H287 AromaticContact CD2-CD2 3.85Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.27Å; P234-H287 PolarHBondContact O-NE2 3.43Å; E236-H287 PolarHBondContact O-CD2 3.08Å; I237-H287 HydrophobicContact CD1-CB 4.28Å; I237-H287 HydrophobicContact CG1-CB 4.05Å; H287-G289 PolarHBondContact CE1-N 3.24Å; H287-G289 WeakPolarHBondContact ND1-CA 3.45Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.17Å; H287-G289 VanDerWaalsContact O-N 3.14Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.22Å; H287-L290 PolarHBondContact O-N 2.81Å
288	E	91.2	Very high	95.5	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.318	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.3	179.4	-173.7	-176.2	126.6	0	0	113.3	W23 C25	W23-E288 VanDerWaalsContact CH2-O 3.28Å; W23-E288 WeakPolarHBondContact CH2-O 3.38Å; W23-E288 HydrophobicContact CZ3-CG 4.45Å; W23-E288 WeakPolarHBondContact CZ3-O 3.34Å; C25-E288 PolarHBondContact SG-OE1 3.01Å
289	G	90.8	Very high	95.2	Very high	10 Å²	10	61.7 Å²	61.7	10%	0.103	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-47.7	168	0	0	0	0	0	110.8	H208 H287	H208-G289 PolarHBondContact CE1-O 3.09Å; H208-G289 PolarHBondContact ND1-O 3.45Å; H287-G289 PolarHBondContact CE1-N 3.24Å; H287-G289 WeakPolarHBondContact ND1-CA 3.45Å; H287-G289 PolarHBondContact ND1-N 3.42Å; H287-G289 PolarHBondContact O-N 3.17Å; H287-G289 VanDerWaalsContact O-N 3.14Å
290	L	93.3	Very high	94.6	Very high	10 Å²	10	61.3 Å²	61.3	5%	0.052	31%	0.309	C	S	.	.			trans	-77.7	116.6	-162.7	-65.9	168.6	0	0	0	114.1	W23 H208 P209 V285 H287 E292 L294	W23-L290 WeakPolarHBondContact CH2-O 3.47Å; W23-L290 WeakPolarHBondContact CZ2-O 3.24Å; H208-L290 HydrophobicContact CB-CD2 4.08Å; H208-L290 WeakPolarHBondContact ND1-CA 3.2Å; H208-L290 PolarHBondContact ND1-N 2.99Å; P209-L290 HydrophobicContact CG-CD1 3.76Å; P209-L290 HydrophobicContact CG-CD2 4.44Å; P209-L290 HydrophobicContact CG-CG 4.16Å; V285-L290 HydrophobicContact CG1-CD1 4.14Å; H287-L290 HydrophobicContact CB-CD1 3.99Å; H287-L290 HydrophobicContact CB-CG 4.22Å; H287-L290 PolarHBondContact O-N 2.81Å; L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.44Å; L290-L294 HydrophobicContact CD1-CB 4.48Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.42Å
291	P	91.3	Very high	93.1	Very high	113 Å²	113	61.9 Å²	61.9	73%	0.734	33%	0.327	S	S	*	.	S	Bend	trans	-57.3	-29	-178.4	26.1	-36.2	0	0	0	113.3
292	E	92.3	Very high	90.8	Very high	150 Å²	150	66.8 Å²	66.8	70%	0.701	36%	0.363	S	S	*	.	S	Bend	trans	-137.9	149.6	170.5	-65	-178	177.6	0	0	109.7	L290 L294	L290-E292 WeakPolarHBondContact CB-O 3.46Å; L290-E292 PolarHBondContact O-N 3.44Å; E292-L294 PolarHBondContact O-N 2.92Å
293	P	94.9	Very high	88.2	Confident	68 Å²	68	74 Å²	74	44%	0.442	40%	0.396	S	S	.	.			trans	-53.5	135.3	173.2	-28	36.6	0	0	0	112.7	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.43Å; Q286-P293 HydrophobicContact CG-CB 3.97Å; Q286-P293 HydrophobicContact CG-CG 4.06Å
294	L	96.6	Very high	85.7	Confident	60 Å²	60	78.9 Å²	78.9	31%	0.314	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	141	175	-64.3	177.4	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.36Å; H284-L294 CarbonylContact C-O 3.53Å; H284-L294 VanDerWaalsContact CA-O 3.31Å; H284-L294 WeakPolarHBondContact CA-O 3.39Å; V285-L294 HydrophobicContact CB-CB 4.32Å; V285-L294 PolarHBondContact N-O 3.07Å; V285-L294 PolarHBondContact O-N 3.44Å; L290-L294 HydrophobicContact CD1-CB 4.48Å; L290-L294 HydrophobicContact CD1-CD1 3.89Å; L290-L294 HydrophobicContact CD1-CG 3.82Å; L290-L294 HydrophobicContact CD2-CD1 3.59Å; L290-L294 HydrophobicContact CD2-CD2 4.4Å; L290-L294 HydrophobicContact CD2-CG 3.83Å; L290-L294 HydrophobicContact CG-CD1 4.41Å; L290-L294 HydrophobicContact CG-CG 4.42Å; E292-L294 PolarHBondContact O-N 2.92Å
295	T	97.5	Very high	83.6	Confident	82 Å²	82	83.8 Å²	83.8	50%	0.503	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.9	170.5	-56.6	0	0	0	0	108.8	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.94Å; C283-T295 CarbonylContact O-C 3.58Å; C283-T295 WeakPolarHBondContact O-CA 3.31Å; H284-T295 PolarHBondContact CE1-OG1 2.75Å; H284-T295 PolarHBondContact ND1-OG1 2.94Å
296	L	96.9	Very high	81.6	Confident	36 Å²	36	88.5 Å²	88.5	19%	0.188	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.9	-173.8	-60.2	156	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 HydrophobicContact CG2-CD1 4.12Å; T211-L296 WeakPolarHBondContact OG1-CD1 3.47Å; V213-L296 HydrophobicContact CG2-CB 3.93Å; T282-L296 CarbonylContact C-O 3.58Å; T282-L296 WeakPolarHBondContact CA-O 3.44Å; C283-L296 HydrophobicContact CB-CB 4.31Å; C283-L296 PolarHBondContact N-O 3.4Å; C283-L296 PolarHBondContact O-N 2.77Å; V285-L296 HydrophobicContact CG2-CD1 4Å
297	R	95.9	Very high	79.6	Confident	144 Å²	144	88 Å²	88	54%	0.543	49%	0.488	S	S	.	.			trans	-118.4	161.5	167.3	-70.5	-175.5	175.2	164.7	-1.1	109.2	T282 E299	T282-R297 HydrophobicContact CG2-CG 3.62Å; T282-R297 VanDerWaalsContact CG2-NE 3.27Å; R297-E299 PolarHBondContact O-N 3.33Å
298	W	95.8	Very high	78	Confident	46 Å²	46	93.2 Å²	93.2	17%	0.174	52%	0.516	C	S	.	.	P	Polyproline II helix	trans	-69.4	122.3	167.7	170.7	56.7	0	0	0	110	V213 H215 L225 E278 Q279 P300	V213-W298 HydrophobicContact CB-CB 4.46Å; V213-W298 HydrophobicContact CG1-CB 3.84Å; H215-W298 HydrophobicContact CB-CD2 4.1Å; H215-W298 HydrophobicContact CB-CG 4.16Å; H215-W298 HydrophobicContact CB-CZ2 4Å; H215-W298 VanDerWaalsContact CB-NE1 3.28Å; H215-W298 AromaticContact CG-CE2 3.78Å; H215-W298 AromaticContact CG-CZ2 3.79Å; H215-W298 AromaticContact ND1-CZ2 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.46Å; L225-W298 HydrophobicContact CD2-CB 3.85Å; L225-W298 HydrophobicContact CD2-CD2 4.38Å; L225-W298 HydrophobicContact CD2-CG 3.98Å; 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 3.81Å; E278-W298 HydrophobicContact CG-CE3 3.72Å; E278-W298 HydrophobicContact CG-CZ3 3.73Å; Q279-W298 PolarHBondContact NE2-O 3.39Å; W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.39Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.14Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.17Å
299	E	89.4	Confident	76.4	Confident	169 Å²	169	95.8 Å²	95.8	79%	0.79	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-101.3	119.9	170	-72.1	-177.5	175.9	0	0	109.3	R297 S301	R297-E299 PolarHBondContact O-N 3.33Å; E299-S301 PolarHBondContact O-N 2.88Å
300	P	81.4	Confident	75.1	Confident	82 Å²	82	97.5 Å²	97.5	53%	0.532	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-58.5	128.9	170.9	-20.5	31.3	0	0	0	109.1	W298 S302	W298-P300 HydrophobicContact CE3-CG 4.47Å; W298-P300 HydrophobicContact CH2-CB 4.39Å; W298-P300 HydrophobicContact CH2-CG 3.98Å; W298-P300 HydrophobicContact CZ2-CB 4.14Å; W298-P300 HydrophobicContact CZ2-CG 4.07Å; W298-P300 HydrophobicContact CZ3-CG 4.17Å; P300-S302 PolarHBondContact O-N 3.03Å
301	S	65.2	Low	74.1	Confident	106 Å²	106	101.6 Å²	101.6	74%	0.741	57%	0.574	S	S	*	*			trans	-59.6	111.7	-178.1	62.8	0	0	0	0	110.2	E299 Q303	E299-S301 PolarHBondContact O-N 2.88Å; S301-Q303 PolarHBondContact O-N 2.93Å
302	S	49	Very low	73.2	Confident	112 Å²	112	100.6 Å²	100.6	78%	0.783	57%	0.566	S	S	*	*			trans	-78.3	65.4	166.8	60.9	0	0	0	0	108.3	P300 P304	P300-S302 PolarHBondContact O-N 3.03Å; S302-P304 WeakPolarHBondContact O-CD 3.47Å
303	Q	45.3	Very low	72.3	Confident	165 Å²	165	96 Å²	96	77%	0.771	55%	0.554	S	S	*	*			trans	-74.5	107.9	154.9	-82.8	-169.4	-16.6	0	0	105.5	S301 T305	S301-Q303 PolarHBondContact O-N 2.93Å; Q303-T305 PolarHBondContact O-N 3.25Å
304	P	45.2	Very low	71.6	Confident	101 Å²	101	94.5 Å²	94.5	66%	0.656	55%	0.55	S	S	*	*			trans	-61.9	117.1	166.5	25.8	-25.8	0	0	0	104.8	S302 I306	S302-P304 WeakPolarHBondContact O-CD 3.47Å; P304-I306 HydrophobicContact CB-CG1 4.23Å; P304-I306 HydrophobicContact CG-CG1 4.22Å; P304-I306 PolarHBondContact O-N 3.05Å
305	T	52.7	Low	71	Confident	135 Å²	135	96.9 Å²	96.9	83%	0.828	56%	0.562	S	S	*	*			trans	-64.4	78.9	159.2	-39.6	0	0	0	0	105.2	Q303 P307	Q303-T305 PolarHBondContact O-N 3.25Å; T305-P307 WeakPolarHBondContact O-CD 3.21Å
306	I	55.8	Low	70.3	Confident	99 Å²	99	95.6 Å²	95.6	51%	0.508	56%	0.56	S	S	.	*			trans	-55.2	117.5	168	-62.5	175.7	0	0	0	103.1	P304 I308 I311	P304-I306 HydrophobicContact CB-CG1 4.23Å; P304-I306 HydrophobicContact CG-CG1 4.22Å; P304-I306 PolarHBondContact O-N 3.05Å; I306-I308 HydrophobicContact CB-CG1 4.47Å; I306-I308 HydrophobicContact CG2-CG1 4.22Å; I306-I308 PolarHBondContact O-N 2.7Å; I306-I311 HydrophobicContact CG2-CD1 4.07Å
307	P	57	Low	69.7	Low	83 Å²	83	98 Å²	98	54%	0.539	58%	0.577	S	S	.	*			trans	-74.5	78.3	-178.7	30.5	-31.9	0	0	0	106.5	T305 V309 G310 I311	T305-P307 WeakPolarHBondContact O-CD 3.21Å; P307-V309 PolarHBondContact O-N 3.32Å; P307-V309 VanDerWaalsContact O-N 3.12Å; P307-G310 WeakPolarHBondContact O-CA 3.32Å; P307-G310 PolarHBondContact O-N 3.43Å; P307-I311 PolarHBondContact O-N 2.75Å
308	I	60	Low	69.1	Low	118 Å²	118	96.6 Å²	96.6	61%	0.605	58%	0.579	S	S	*	*	H	α-helix	trans	-54	-33.7	177.5	-65.9	168.6	0	0	0	108.7	I306 G310 I311 V312	I306-I308 HydrophobicContact CB-CG1 4.47Å; I306-I308 HydrophobicContact CG2-CG1 4.22Å; I306-I308 PolarHBondContact O-N 2.7Å; I308-G310 PolarHBondContact O-N 3.06Å; I308-I311 PolarHBondContact O-N 3.29Å; I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.85Å
309	V	58.7	Low	68.6	Low	123 Å²	123	97.1 Å²	97.1	75%	0.745	59%	0.593	S	S	*	*	H	α-helix	trans	-61.1	-40.8	173	178.9	0	0	0	0	112.8	P307 A313	P307-V309 PolarHBondContact O-N 3.32Å; P307-V309 VanDerWaalsContact O-N 3.12Å; V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.19Å
310	G	64	Low	68.4	Low	45 Å²	45	93.2 Å²	93.2	46%	0.464	58%	0.581	S	S	.	*	H	α-helix	trans	-69.8	-37.8	179.8	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.32Å; P307-G310 PolarHBondContact O-N 3.43Å; I308-G310 PolarHBondContact O-N 3.06Å; G310-G314 PolarHBondContact O-N 2.78Å
311	I	71.5	Confident	68.6	Low	97 Å²	97	94.3 Å²	94.3	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-70.1	-43.6	176.8	-60.8	174.4	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.07Å; P307-I311 PolarHBondContact O-N 2.75Å; I308-I311 PolarHBondContact O-N 3.29Å; I311-G314 PolarHBondContact O-N 3.09Å; I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.9Å
312	V	73.2	Confident	69.5	Low	91 Å²	91	92.4 Å²	92.4	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-65.6	-42.4	177.9	173.3	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.31Å; I308-V312 WeakPolarHBondContact O-CB 3.46Å; I308-V312 VanDerWaalsContact O-CG2 3.23Å; I308-V312 WeakPolarHBondContact O-CG2 3.41Å; I308-V312 PolarHBondContact O-N 2.85Å; V312-L315 PolarHBondContact O-N 3.2Å; V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.27Å
313	A	73	Confident	71.1	Confident	55 Å²	55	91.5 Å²	91.5	46%	0.455	56%	0.561	S	S	.	*	H	α-helix	trans	-63.1	-43.3	174.9	0	0	0	0	0	111.8	V309 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.25Å; V309-A313 WeakPolarHBondContact O-CB 3.42Å; V309-A313 PolarHBondContact O-N 3.19Å; A313-A316 PolarHBondContact O-N 3.18Å; A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 2.98Å
314	G	79.4	Confident	72.9	Confident	35 Å²	35	88.4 Å²	88.4	36%	0.361	55%	0.55	S	S	.	.	H	α-helix	trans	-61.9	-43.6	177	0	0	0	0	0	113.2	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 2.78Å; I311-G314 PolarHBondContact O-N 3.09Å; G314-V317 PolarHBondContact O-N 3.02Å; G314-L318 PolarHBondContact O-N 3.21Å
315	L	84.4	Confident	74.6	Confident	110 Å²	110	85.6 Å²	85.6	58%	0.576	54%	0.539	S	S	*	.	H	α-helix	trans	-67.3	-38.3	177.1	-72.5	172.5	0	0	0	112.4	I311 V312 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.03Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.39Å; I311-L315 WeakPolarHBondContact O-CG 3.41Å; I311-L315 PolarHBondContact O-N 2.9Å; V312-L315 PolarHBondContact O-N 3.2Å; L315-L318 PolarHBondContact O-N 3.01Å; L315-A319 WeakPolarHBondContact O-CB 3.32Å; L315-A319 PolarHBondContact O-N 3.25Å
316	A	81.8	Confident	75.9	Confident	55 Å²	55	81.7 Å²	81.7	46%	0.455	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-43.7	175.5	0	0	0	0	0	111.6	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.41Å; V312-A316 PolarHBondContact O-N 3.27Å; A313-A316 PolarHBondContact O-N 3.18Å; A316-A319 PolarHBondContact O-N 3.39Å; A316-V320 VanDerWaalsContact O-CG2 3.31Å; A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.01Å
317	V	84.8	Confident	77.1	Confident	88 Å²	88	80.8 Å²	80.8	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-63.4	-43.8	176.9	173	0	0	0	0	111.3	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.45Å; A313-V317 PolarHBondContact O-N 2.98Å; G314-V317 PolarHBondContact O-N 3.02Å; V317-A319 PolarHBondContact O-N 3.28Å; V317-V320 PolarHBondContact O-N 2.89Å; V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 3.29Å
318	L	84.6	Confident	77.9	Confident	114 Å²	114	82.6 Å²	82.6	60%	0.597	52%	0.522	S	S	*	.	H	α-helix	trans	-61.4	-41.7	176.5	-84.5	163.9	0	0	0	112.5	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.21Å; L315-L318 PolarHBondContact O-N 3.01Å; L318-L321 PolarHBondContact O-N 3.49Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.21Å
319	A	84.4	Confident	78.6	Confident	56 Å²	56	79.4 Å²	79.4	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.5	0	0	0	0	0	111.9	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.32Å; L315-A319 PolarHBondContact O-N 3.25Å; A316-A319 PolarHBondContact O-N 3.39Å; V317-A319 PolarHBondContact O-N 3.28Å; A319-A322 PolarHBondContact O-N 2.94Å; A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.35Å
320	V	84.9	Confident	79.3	Confident	88 Å²	88	77.4 Å²	77.4	53%	0.533	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.5	172.2	0	0	0	0	111.2	A316 V317 A322 V323 L324	A316-V320 VanDerWaalsContact O-CG2 3.31Å; A316-V320 WeakPolarHBondContact O-CG2 3.35Å; A316-V320 PolarHBondContact O-N 3.01Å; V317-V320 PolarHBondContact O-N 2.89Å; V320-A322 PolarHBondContact O-N 3.12Å; V320-V323 PolarHBondContact O-N 3.31Å; V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 WeakPolarHBondContact O-CG 3.05Å; V320-L324 PolarHBondContact O-N 2.65Å
321	L	85.8	Confident	79.8	Confident	104 Å²	104	78.9 Å²	78.9	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-64.4	-38.9	177.6	-71.1	173.5	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 4.01Å; V317-L321 HydrophobicContact CG1-CG 4.44Å; V317-L321 WeakPolarHBondContact O-CG 3.38Å; V317-L321 PolarHBondContact O-N 3.29Å; L318-L321 PolarHBondContact O-N 3.49Å; L321-L324 PolarHBondContact O-N 2.88Å; L321-G325 PolarHBondContact O-N 3.43Å
322	A	84	Confident	79.8	Confident	66 Å²	66	80.5 Å²	80.5	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-42.1	176	0	0	0	0	0	111.9	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.21Å; A319-A322 PolarHBondContact O-N 2.94Å; V320-A322 PolarHBondContact O-N 3.12Å; A322-G325 PolarHBondContact O-N 2.65Å; A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.37Å
323	V	83.1	Confident	79.2	Confident	93 Å²	93	80.4 Å²	80.4	56%	0.564	51%	0.511	S	S	*	.	H	α-helix	trans	-64.8	-44.9	176.1	173.6	0	0	0	0	110.9	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.5Å; A319-V323 PolarHBondContact O-N 3.35Å; V320-V323 PolarHBondContact O-N 3.31Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.17Å; V323-A326 PolarHBondContact O-N 3.32Å; V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.21Å; V323-V327 PolarHBondContact O-N 3.48Å
324	L	82.3	Confident	78.7	Confident	100 Å²	100	87 Å²	87	52%	0.524	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-42.5	175.9	-73.5	168.7	0	0	0	111.8	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.99Å; V320-L324 WeakPolarHBondContact O-CG 3.05Å; V320-L324 PolarHBondContact O-N 2.65Å; L321-L324 PolarHBondContact O-N 2.88Å; L324-V327 PolarHBondContact O-N 2.82Å; L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.21Å; L324-M328 PolarHBondContact O-N 2.98Å
325	G	81.9	Confident	77.6	Confident	42 Å²	42	95.4 Å²	95.4	43%	0.433	55%	0.545	S	S	.	.	H	α-helix	trans	-60.3	-44	174.7	0	0	0	0	0	112.6	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.43Å; A322-G325 PolarHBondContact O-N 2.65Å; V323-G325 VanDerWaalsContact C-N 3.34Å; V323-G325 PolarHBondContact O-N 3.17Å; G325-M328 PolarHBondContact O-N 2.87Å; G325-A329 WeakPolarHBondContact O-CB 3.46Å; G325-A329 PolarHBondContact O-N 2.89Å
326	A	79.6	Confident	76	Confident	54 Å²	54	98.9 Å²	98.9	45%	0.446	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-42.3	176.5	0	0	0	0	0	112.3	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.37Å; A322-A326 PolarHBondContact O-N 3.37Å; V323-A326 PolarHBondContact O-N 3.32Å; A326-A329 PolarHBondContact O-N 3.32Å; A326-V330 WeakPolarHBondContact O-CG2 3.22Å; A326-V330 PolarHBondContact O-N 3.42Å
327	V	79.8	Confident	74.5	Confident	80 Å²	80	100.7 Å²	100.7	49%	0.485	57%	0.565	S	S	.	*	H	α-helix	trans	-62.9	-44.9	176.2	172	0	0	0	0	110.7	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.45Å; V323-V327 VanDerWaalsContact O-CG2 3.31Å; V323-V327 WeakPolarHBondContact O-CG2 3.21Å; V323-V327 PolarHBondContact O-N 3.48Å; L324-V327 PolarHBondContact O-N 2.82Å; V327-A329 VanDerWaalsContact C-N 3.35Å; V327-A329 PolarHBondContact O-N 2.88Å; V327-V330 PolarHBondContact O-N 3.17Å; V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.38Å; V327-V331 PolarHBondContact O-N 3.43Å
328	M	75.2	Confident	72.8	Confident	120 Å²	120	101.6 Å²	101.6	59%	0.591	58%	0.575	S	S	*	*	H	α-helix	trans	-62.4	-41	176.6	-71.8	-63	-70.4	0	0	112	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.49Å; L324-M328 VanDerWaalsContact O-CG 3.3Å; L324-M328 WeakPolarHBondContact O-CG 3.21Å; L324-M328 PolarHBondContact O-N 2.98Å; G325-M328 PolarHBondContact O-N 2.87Å; M328-V331 PolarHBondContact O-N 2.73Å; M328-M332 WeakPolarHBondContact O-CB 3.18Å; M328-M332 WeakPolarHBondContact O-CG 3.12Å; M328-M332 PolarHBondContact O-N 2.96Å
329	A	74.4	Confident	70.9	Confident	51 Å²	51	99.2 Å²	99.2	42%	0.421	58%	0.578	S	S	.	*	H	α-helix	trans	-62.5	-44.1	174.8	0	0	0	0	0	112.1	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.46Å; G325-A329 PolarHBondContact O-N 2.89Å; A326-A329 PolarHBondContact O-N 3.32Å; V327-A329 VanDerWaalsContact C-N 3.35Å; V327-A329 PolarHBondContact O-N 2.88Å; A329-M332 PolarHBondContact O-N 3.21Å; A329-C333 WeakPolarHBondContact O-CB 3.36Å; A329-C333 PolarHBondContact O-N 3.31Å; A329-C333 PolarHBondContact O-SG 3.06Å
330	V	74	Confident	68.6	Low	82 Å²	82	100.3 Å²	100.3	50%	0.497	59%	0.594	S	S	.	*	H	α-helix	trans	-64.1	-41.5	176.4	170.5	0	0	0	0	111.6	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.22Å; A326-V330 PolarHBondContact O-N 3.42Å; V327-V330 PolarHBondContact O-N 3.17Å; V330-C333 PolarHBondContact O-N 2.94Å; V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 2.94Å
331	V	73	Confident	66.2	Low	75 Å²	75	106.6 Å²	106.6	46%	0.455	61%	0.614	S	S	.	*	H	α-helix	trans	-65.8	-41	177	171.2	0	0	0	0	111	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.38Å; V327-V331 WeakPolarHBondContact O-CB 3.3Å; V327-V331 VanDerWaalsContact O-CG2 3.29Å; V327-V331 WeakPolarHBondContact O-CG2 3.38Å; V327-V331 PolarHBondContact O-N 3.43Å; M328-V331 PolarHBondContact O-N 2.73Å; V331-R334 PolarHBondContact O-N 3.4Å; V331-R335 WeakPolarHBondContact O-CB 3.21Å; V331-R335 PolarHBondContact O-N 3.31Å
332	M	71.6	Confident	63.6	Low	132 Å²	132	105.6 Å²	105.6	65%	0.65	63%	0.63	S	S	*	*	H	α-helix	trans	-66.4	-40.8	174.6	-74.4	-173.5	69.7	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.18Å; M328-M332 WeakPolarHBondContact O-CG 3.12Å; M328-M332 PolarHBondContact O-N 2.96Å; A329-M332 PolarHBondContact O-N 3.21Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.9Å; M332-R335 PolarHBondContact O-N 3.04Å; M332-K336 WeakPolarHBondContact O-CB 3.44Å; M332-K336 PolarHBondContact O-N 3.07Å
333	C	61.8	Low	61.1	Low	88 Å²	88	106.5 Å²	106.5	60%	0.595	65%	0.645	S	S	*	*	H	α-helix	trans	-62.4	-38.3	173.1	-78.7	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.36Å; A329-C333 PolarHBondContact O-N 3.31Å; A329-C333 PolarHBondContact O-SG 3.06Å; V330-C333 PolarHBondContact O-N 2.94Å; C333-K336 PolarHBondContact O-N 3.13Å; C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 2.73Å
334	R	61.4	Low	58.8	Low	194 Å²	194	107.2 Å²	107.2	73%	0.732	65%	0.654	S	S	*	*	H	α-helix	trans	-72.4	-30.7	175	-78.9	-173.1	152.7	171	-4.2	113.8	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.29Å; V330-R334 WeakPolarHBondContact O-CG 3.35Å; V330-R334 PolarHBondContact O-N 2.94Å; V331-R334 PolarHBondContact O-N 3.4Å; M332-R334 VanDerWaalsContact C-N 3.32Å; M332-R334 PolarHBondContact O-N 2.9Å; R334-K336 VanDerWaalsContact C-N 3.33Å; R334-S337 PolarHBondContact O-OG 3.23Å
335	R	56.8	Low	56.4	Low	212 Å²	212	107.9 Å²	107.9	80%	0.8	67%	0.666	S	S	*	*	H	α-helix	trans	-72.1	-27.6	170.8	-111.1	-179.4	169.8	174.1	-2.5	112.6	V331 M332 S338	V331-R335 WeakPolarHBondContact O-CB 3.21Å; V331-R335 PolarHBondContact O-N 3.31Å; M332-R335 PolarHBondContact O-N 3.04Å; R335-S338 PolarHBondContact O-OG 3.09Å
336	K	50	Low	54	Low	182 Å²	182	111.5 Å²	111.5	79%	0.791	69%	0.685	S	S	*	*	H	α-helix	trans	-86.5	-19.3	179.4	-163.6	166.2	-179.7	177.1	0	113.5	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.44Å; M332-K336 PolarHBondContact O-N 3.07Å; C333-K336 PolarHBondContact O-N 3.13Å; R334-K336 VanDerWaalsContact C-N 3.33Å
337	S	51	Low	52	Low	94 Å²	94	118 Å²	118	66%	0.657	71%	0.706	S	S	*	*	S	Bend	trans	-90.2	3.6	177.8	58.1	0	0	0	0	115.3	C333 R334 G339	C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 2.73Å; R334-S337 PolarHBondContact O-OG 3.23Å; S337-G339 VanDerWaalsContact C-N 3.28Å; S337-G339 PolarHBondContact O-N 2.86Å
338	S	49	Very low	49.7	Very low	107 Å²	107	118.5 Å²	118.5	75%	0.748	72%	0.718	S	S	*	*	S	Bend	trans	-89	24.1	171.8	73.9	0	0	0	0	114.2	R335	R335-S338 PolarHBondContact O-OG 3.09Å
339	G	43.8	Very low	47.7	Very low	64 Å²	64	117 Å²	117	66%	0.66	73%	0.725	S	S	*	*	S	Bend	trans	-160.5	106.2	173.7	0	0	0	0	0	113.7	S337	S337-G339 VanDerWaalsContact C-N 3.28Å; S337-G339 PolarHBondContact O-N 2.86Å
340	G	36.1	Very low	46	Very low	78 Å²	78	120.2 Å²	120.2	80%	0.804	74%	0.744	S	S	*	*			trans	110.8	83.3	150.3	0	0	0	0	0	119.2
341	K	34.7	Very low	44	Very low	220 Å²	220	122.3 Å²	122.3	96%	0.957	76%	0.763	S	S	*	*			trans	13.4	135.6	132.6	-144	150.5	-179.2	171.7	0	121.8
342	G	33	Very low	42.4	Very low	84 Å²	84	126.6 Å²	126.6	87%	0.866	78%	0.783	S	S	*	*			trans	103.4	134	152.9	0	0	0	0	0	114.7
343	G	31.1	Very low	40.8	Very low	84 Å²	84	125.8 Å²	125.8	87%	0.866	79%	0.791	S	S	*	*			cis	-176.6	179.2	8.3	0	0	0	0	0	110.1
344	S	34.9	Very low	39.7	Very low	108 Å²	108	126.2 Å²	126.2	76%	0.755	80%	0.8	S	S	*	*			trans	-71.6	162.2	-158	-166.4	0	0	0	0	121.3
345	C	31.1	Very low	38.5	Very low	115 Å²	115	126.7 Å²	126.7	78%	0.777	81%	0.811	S	S	*	*			trans	61	148.9	147	-88.9	0	0	0	0	120.9
346	S	32.4	Very low	37.2	Very low	118 Å²	118	120.2 Å²	120.2	83%	0.825	81%	0.81	S	S	*	*			cis	-166.1	171.4	29.3	11.2	0	0	0	0	113.2
347	Q	37.3	Very low	36.7	Very low	190 Å²	190	116.7 Å²	116.7	89%	0.888	81%	0.808	S	S	*	*			trans	-92.2	152.2	-176	-178.7	179.9	8.1	0	0	113.9
348	A	30.1	Very low	36.1	Very low	90 Å²	90	119.1 Å²	119.1	74%	0.744	81%	0.814	S	S	*	*			trans	166.3	117	140.9	0	0	0	0	0	110.7
349	A	33.6	Very low	35.3	Very low	88 Å²	88	122.1 Å²	122.1	73%	0.727	82%	0.816	S	S	*	*				78.3	103.2	93.1	0	0	0	0	0	113.4
350	S	38.3	Very low	34.9	Very low	120 Å²	120	124.6 Å²	124.6	84%	0.839	82%	0.823	S	S	*	*				81.1	133.2	89	81.2	0	0	0	0	115.6
351	S	33.3	Very low	34.8	Very low	126 Å²	126	128.3 Å²	128.3	88%	0.881	82%	0.824	S	S	*	*			trans	-156.1	139.1	149.2	44.8	0	0	0	0	110.8
352	N	38.9	Very low	34.9	Very low	164 Å²	164	125.7 Å²	125.7	88%	0.877	82%	0.818	S	S	*	*			trans	-120.7	152	-175.9	-98.9	-15.8	0	0	0	109
353	S	38.3	Very low	34.9	Very low	116 Å²	116	125.4 Å²	125.4	81%	0.811	81%	0.808	S	S	*	*			trans	177.5	115.2	142.2	38.5	0	0	0	0	107.9
354	A	38.5	Very low	34.9	Very low	97 Å²	97	127.2 Å²	127.2	80%	0.802	81%	0.806	S	S	*	*				69.2	114.6	58.6	0	0	0	0	0	114.7
355	Q	36.8	Very low	34.9	Very low	204 Å²	204	131.8 Å²	131.8	95%	0.953	81%	0.812	S	S	*	*				158.9	139.1	105.9	-158.8	158.7	14.8	0	0	114
356	G	29.3	Very low	35.2	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	84%	0.844	S	S	*	*			trans	138.6	92.8	153.1	0	0	0	0	0	118.8
357	S	40.1	Very low	35.3	Very low	109 Å²	109	135.4 Å²	135.4	76%	0.762	85%	0.845	S	S	*	*			trans	-73.9	162.7	157.1	-28	0	0	0	0	110
358	D	37.3	Very low	35.2	Very low	145 Å²	145	132.5 Å²	132.5	78%	0.775	84%	0.842	S	S	*	*			cis	-171.7	161.1	49	-103.9	-28.1	0	0	0	112.6
359	E	32.3	Very low	35.5	Very low	169 Å²	169	134.9 Å²	134.9	79%	0.79	85%	0.848	S	S	*	*			trans	32	129.4	149.3	-67.3	-163.7	123.7	0	0	124.4
360	S	35.3	Very low	35.6	Very low	117 Å²	117	137.6 Å²	137.6	82%	0.818	86%	0.855	S	S	*	*				169.1	149.9	91.3	50.9	0	0	0	0	114.2
361	L	33.8	Very low	35.4	Very low	156 Å²	156	138.8 Å²	138.8	82%	0.817	86%	0.856	S	S	*	*			trans	-48.6	152.3	-179	-70.2	142.9	0	0	0	117.3
362	I	36.8	Very low	35.6	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	85%	0.854	S	S	*	*				-174	130.4	109.7	-87.7	157.1	0	0	0	112.2
363	A	33.3	Very low	35.3	Very low	79 Å²	79	137.9 Å²	137.9	65%	0.653	85%	0.853	S	S	*	*			trans	-27.9	134.9	159.3	0	0	0	0	0	116.7
364	C	31	Very low	35.1	Very low	121 Å²	121	139.5 Å²	139.5	82%	0.818	86%	0.856	S	S	*	*				98.6	127.2	67.3	-84.9	0	0	0	0	113.7
365	K	35.3	Very low	34.8	Very low	204 Å²	204	143.1 Å²	143.1	89%	0.887	86%	0.86	S	S	*	*			trans	44.7	125.9	141.8	-85.9	178.5	169.1	177.9	0	119.9
366	A	36.6	Very low	34.6	Very low	174 Å²	174	137.5 Å²	137.5	100%	1.438	85%	0.852	S	S	*	*				-144.3	0	95.8	0	0	0	0	0	108.8

Retrieved 366 of 366 residues in 85.9 ms (Link to these results)

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