A0A076FQ79_HUMAN Loading...

MHC class I antigen

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

AlphaFold DB , UniProt , Accession A0A076FQ79, Species HUMAN (Homo sapiens, Human), Gene HLA-C, Length 366 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	41.3	Very low	241 Å²	241	152.7 Å²	152.7	100%	1.187	78%	0.775	S	S	*	*				0	122.1	0	-73.1	155.3	156.1	0	0	108.3
2	R	31.6	Very low	41.4	Very low	255 Å²	255	151.9 Å²	151.9	96%	0.962	77%	0.773	S	S	*	*			trans	-88	117.9	169.8	-87.5	-179.9	170.1	162.3	-3.4	107.8	M4	R2-M4 PolarHBondContact O-N 3.15Å
3	V	35.4	Very low	41.1	Very low	145 Å²	145	148.5 Å²	148.5	88%	0.879	76%	0.757	S	S	*	*			trans	-73.3	113.3	172	178.8	0	0	0	0	107.6	A5	V3-A5 PolarHBondContact O-N 3.14Å
4	M	38.2	Very low	41.2	Very low	175 Å²	175	142.3 Å²	142.3	86%	0.862	73%	0.734	S	S	*	*			trans	-89.8	101.1	179.9	-164.9	166	69.4	0	0	108.3	R2	R2-M4 PolarHBondContact O-N 3.15Å
5	A	40.7	Very low	41.1	Very low	76 Å²	76	135.6 Å²	135.6	63%	0.628	71%	0.714	S	S	*	*			trans	-62	142.7	178.6	0	0	0	0	0	111.1	V3 R7	V3-A5 PolarHBondContact O-N 3.14Å; A5-R7 PolarHBondContact O-N 2.66Å; A5-R7 VanDerWaalsContact O-N 3.13Å
6	P	41.4	Very low	41	Very low	93 Å²	93	130.9 Å²	130.9	60%	0.604	70%	0.701	S	S	*	*			trans	-71.5	109.8	-173.8	27.9	-33.6	0	0	0	111.3	T8 L9	P6-T8 PolarHBondContact O-N 2.7Å; P6-L9 PolarHBondContact O-N 3.05Å
7	R	49.8	Very low	40.8	Very low	215 Å²	215	129.8 Å²	129.8	81%	0.811	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-8.5	176.2	-85.4	179.7	161	141.1	-6.8	114.6	A5	A5-R7 PolarHBondContact O-N 2.66Å; A5-R7 VanDerWaalsContact O-N 3.13Å
8	T	50	Low	40.6	Very low	107 Å²	107	126.3 Å²	126.3	66%	0.656	69%	0.686	S	S	*	*	H	α-helix	trans	-76.5	-21.1	-178.6	36.7	0	0	0	0	114.5	P6	P6-T8 PolarHBondContact O-N 2.7Å
9	L	42.1	Very low	40.4	Very low	123 Å²	123	125.2 Å²	125.2	64%	0.644	68%	0.679	S	S	*	*	H	α-helix	trans	-77.9	-23	-179.3	-128.4	88.7	0	0	0	114	P6	P6-L9 PolarHBondContact O-N 3.05Å
10	I	44.1	Very low	40.2	Very low	116 Å²	116	124.2 Å²	124.2	60%	0.595	68%	0.677	S	S	*	*	H	α-helix	trans	-77.1	-32.2	-172.3	-63.6	175.5	0	0	0	111.7	S14	I10-S14 PolarHBondContact O-N 3.03Å; I10-S14 PolarHBondContact O-OG 2.89Å
11	L	46.2	Very low	40	Very low	134 Å²	134	126.5 Å²	126.5	70%	0.702	68%	0.683	S	S	*	*	H	α-helix	trans	-71.4	-33.8	-177.3	-76.4	163	0	0	0	113.3	S14 G15	L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.39Å; L11-G15 PolarHBondContact O-N 2.94Å
12	L	42.2	Very low	40.4	Very low	143 Å²	143	119.3 Å²	119.3	75%	0.749	65%	0.653	S	S	*	*	H	α-helix	trans	-70.5	-33.1	178.2	-72.4	168.1	0	0	0	112.7	S14	L12-S14 VanDerWaalsContact C-N 3.34Å
13	L	38	Very low	41	Very low	108 Å²	108	110.2 Å²	110.2	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-72.6	-27.5	172.8	-75.7	161.3	0	0	0	112.5	L17	L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.21Å
14	S	41.7	Very low	41.9	Very low	61 Å²	61	107 Å²	107	43%	0.427	61%	0.607	S	S	.	*	H	α-helix	trans	-67.3	-37.5	178.2	-50.8	0	0	0	0	112.1	I10 L11 L12 A18	I10-S14 PolarHBondContact O-N 3.03Å; I10-S14 PolarHBondContact O-OG 2.89Å; L11-S14 WeakPolarHBondContact O-CB 3.3Å; L11-S14 PolarHBondContact O-N 3.39Å; L12-S14 VanDerWaalsContact C-N 3.34Å; S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 2.89Å
15	G	39.9	Very low	43.6	Very low	42 Å²	42	99.6 Å²	99.6	43%	0.433	58%	0.576	S	S	.	*	H	α-helix	trans	-69.2	-37.7	179.7	0	0	0	0	0	113.6	L11	L11-G15 PolarHBondContact O-N 2.94Å
16	A	40	Very low	46	Very low	61 Å²	61	99.5 Å²	99.5	50%	0.504	57%	0.571	S	S	.	*	H	α-helix	trans	-71.8	-45.1	176.9	0	0	0	0	0	112.1	A18 L19 T20	A16-A18 PolarHBondContact O-N 2.84Å; A16-L19 PolarHBondContact O-N 3.11Å; A16-T20 PolarHBondContact O-N 2.76Å; A16-T20 PolarHBondContact O-OG1 3.14Å
17	L	37.7	Very low	48.6	Very low	112 Å²	112	96.5 Å²	96.5	59%	0.586	55%	0.549	S	S	*	.	H	α-helix	trans	-66	-34.9	-178.1	-76.8	164.7	0	0	0	113.1	L13 L19 T20	L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.21Å; L17-L19 PolarHBondContact O-N 3.42Å; L17-T20 PolarHBondContact O-OG1 3.48Å
18	A	36.5	Very low	50.9	Low	67 Å²	67	87.4 Å²	87.4	55%	0.554	52%	0.518	S	S	*	.	H	α-helix	trans	-69	-19	178	0	0	0	0	0	114.2	S14 A16	S14-A18 WeakPolarHBondContact O-CB 3.36Å; S14-A18 PolarHBondContact O-N 2.89Å; A16-A18 PolarHBondContact O-N 2.84Å
19	L	37.7	Very low	53.2	Low	105 Å²	105	82.3 Å²	82.3	55%	0.55	49%	0.486	S	S	.	.	H	α-helix	trans	-98.1	-23.2	-178.6	-95.6	144.5	0	0	0	113.3	A16 L17 T22	A16-L19 PolarHBondContact O-N 3.11Å; L17-L19 PolarHBondContact O-N 3.42Å; L19-T22 PolarHBondContact O-OG1 2.66Å
20	T	36.3	Very low	55.9	Low	105 Å²	105	78.8 Å²	78.8	64%	0.644	47%	0.465	S	S	*	.	H	α-helix	trans	-79.8	-18.8	176.5	48.1	0	0	0	0	114.1	A16 L17	A16-T20 PolarHBondContact O-N 2.76Å; A16-T20 PolarHBondContact O-OG1 3.14Å; L17-T20 PolarHBondContact O-OG1 3.48Å
21	E	36.4	Very low	58.5	Low	172 Å²	172	73.5 Å²	73.5	80%	0.804	44%	0.437	S	S	*	.	S	Bend	trans	-86.8	-10.1	-171.8	-131.1	177.1	-163.7	0	0	114.4
22	T	42.1	Very low	61	Low	90 Å²	90	71.1 Å²	71.1	55%	0.552	42%	0.422	S	S	*	.	S	Bend	trans	-99.7	-16	-168	47.2	0	0	0	0	116	L19	L19-T22 PolarHBondContact O-OG1 2.66Å
23	W	45.3	Very low	63.7	Low	64 Å²	64	64.7 Å²	64.7	24%	0.242	39%	0.387	C	S	.	.	S	Bend	trans	-94.2	-32	-171.3	-78.1	82.6	0	0	0	114	G25 E236 E288	W23-G25 PolarHBondContact O-N 3.43Å; W23-E236 HydrophobicContact CH2-CB 4.28Å; W23-E236 HydrophobicContact CH2-CG 3.81Å; W23-E236 WeakPolarHBondContact CH2-O 3.03Å; W23-E236 HydrophobicContact CZ2-CG 4.47Å; W23-E236 HydrophobicContact CZ3-CB 4.22Å; W23-E236 HydrophobicContact CZ3-CG 4.15Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; W23-E288 HydrophobicContact CB-CG 4.29Å; W23-E288 HydrophobicContact CE3-CB 3.67Å; W23-E288 HydrophobicContact CE3-CG 4.34Å; W23-E288 VanDerWaalsContact CE3-N 3.29Å; W23-E288 HydrophobicContact CZ3-CB 4.21Å; W23-E288 VanDerWaalsContact CZ3-N 3.35Å; W23-E288 WeakPolarHBondContact O-CG 3.4Å
24	A	53.8	Low	66.6	Low	78 Å²	78	61.5 Å²	61.5	65%	0.645	37%	0.373	S	S	*	.	S	Bend	trans	-88.3	99.6	-179.9	0	0	0	0	0	112.6
25	G	73.9	Confident	69.3	Low	20 Å²	20	58.7 Å²	58.7	21%	0.206	35%	0.353	C	S	.	.	S	Bend	trans	106.8	23.4	151.7	0	0	0	0	0	119	W23 G128 P129	W23-G25 PolarHBondContact O-N 3.43Å; G25-G128 CarbonylContact O-C 3.56Å; G25-P129 WeakPolarHBondContact O-CA 3.15Å; G25-P129 WeakPolarHBondContact O-CD 3.5Å; G25-P129 WeakPolarHBondContact O-CG 3.47Å
26	S	91.4	Very high	72.1	Confident	73 Å²	73	58.5 Å²	58.5	51%	0.51	34%	0.343	S	S	.	.			trans	-92.6	141.8	160.5	72.1	0	0	0	0	110.6	V127	S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.32Å
27	H	95.8	Very high	74.9	Confident	31 Å²	31	56.5 Å²	56.5	14%	0.144	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.9	-179.8	-68.7	-74.7	0	0	0	111.3	D53 D126 V127 L192 L196	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 3.22Å; H27-D53 IonicContact CG-OD2 3.91Å; H27-D53 IonicContact ND1-OD1 3.64Å; H27-D53 IonicContact ND1-OD2 3.88Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; H27-V127 HydrophobicContact CB-CG2 4.1Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 3.08Å; H27-L192 HydrophobicContact CB-CD1 4.43Å; H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å
28	S	97.8	Very high	77.6	Confident	23 Å²	23	54.3 Å²	54.3	16%	0.161	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.6	179.9	66.6	0	0	0	0	112.5	V52 D53 C125 D126	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.23Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 2.72Å; S28-D53 PolarHBondContact OG-OD1 3Å; S28-C125 CarbonylContact C-O 3.6Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å
29	M	98.6	Very high	80.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.2	164.3	-177.8	173.4	57.5	0	0	108.6	Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195	M29-Y31 HydrophobicContact CE-CE2 4.13Å; M29-Y31 HydrophobicContact CG-CE2 3.95Å; M29-Y31 HydrophobicContact SD-CE2 3.84Å; M29-Y51 WeakPolarHBondContact CA-O 3.45Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; M29-C125 PolarHBondContact N-O 3.13Å; M29-C125 PolarHBondContact O-N 3.01Å; M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.32Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; M29-W191 HydrophobicContact CE-CB 4.12Å; M29-W191 HydrophobicContact SD-CB 4.5Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.36Å; M29-Y195 HydrophobicContact SD-CD2 3.81Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å
30	R	98.7	Very high	82.8	Confident	50 Å²	50	53 Å²	53	19%	0.189	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.9	-176.4	-54.9	-61.4	-174.1	77.4	4.3	110.7	F32 G50 Y51 D126 Y137	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; R30-G50 WeakPolarHBondContact O-CA 3.27Å; R30-Y51 PolarHBondContact N-O 3.42Å; R30-Y51 PolarHBondContact O-N 2.8Å; R30-D126 IonicContact CZ-OD1 3.23Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact CZ-OD2 3.39Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 IonicContact NH2-OD1 3.21Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.26Å; R30-D126 PolarHBondContact NH2-OD2 3.19Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 2.89Å
31	Y	98.8	Very high	85.4	Confident	4 Å²	4	58.2 Å²	58.2	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.5	171	-68.8	-94.2	0	0	0	109.6	M29 Y33 V49 F57 V58 M122 Y123	M29-Y31 HydrophobicContact CE-CE2 4.13Å; M29-Y31 HydrophobicContact CG-CE2 3.95Å; M29-Y31 HydrophobicContact SD-CE2 3.84Å; Y31-Y33 HydrophobicContact CD1-CE1 4.31Å; Y31-V49 WeakPolarHBondContact CA-O 3.37Å; Y31-F57 HydrophobicContact CE1-CZ 4.06Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; Y31-V58 HydrophobicContact CE1-CG1 4.12Å; Y31-M122 WeakPolarHBondContact O-CA 3.44Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.5Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.71Å; Y31-Y123 HydrophobicContact CD2-CE2 3.71Å; Y31-Y123 AromaticContact CD2-CZ 3.71Å; Y31-Y123 HydrophobicContact CE2-CE2 4.41Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.17Å; Y31-Y123 AromaticContact CG-CZ 3.69Å; Y31-Y123 PolarHBondContact N-O 3.48Å; Y31-Y123 PolarHBondContact O-N 2.9Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å
32	F	98.9	Very high	88	Confident	85 Å²	85	53 Å²	53	37%	0.373	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.6	177.7	-56.5	-96	0	0	0	109	R30 A48 V49 Y51 R121 M122	R30-F32 HydrophobicContact CB-CD2 4.48Å; R30-F32 HydrophobicContact CB-CE2 3.66Å; R30-F32 HydrophobicContact CB-CZ 3.96Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.13Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; F32-R121 WeakPolarHBondContact CA-O 3.45Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 4.01Å
33	Y	98.8	Very high	90.4	Very high	7 Å²	7	53.1 Å²	53.1	3%	0.027	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.1	176.6	-58.4	-18.2	0	0	0	109.4	Y31 F46 I47 A48 Y91 Q94 Q120 R121 Y123	Y31-Y33 HydrophobicContact CD1-CE1 4.31Å; Y33-F46 HydrophobicContact CD1-CZ 4.22Å; Y33-F46 HydrophobicContact CD2-CE2 4.41Å; Y33-F46 HydrophobicContact CD2-CZ 4.17Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; Y33-I47 WeakPolarHBondContact CA-O 3.38Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; Y33-Y91 HydrophobicContact CE1-CD1 4.06Å; Y33-Y91 AromaticContact CE1-CE1 3.76Å; Y33-Y91 HydrophobicContact CE1-CE1 3.76Å; Y33-Y91 AromaticContact CZ-CE1 3.93Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.23Å; Y33-Q94 HydrophobicContact CD2-CG 3.56Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.7Å; Y33-Q120 CarbonylContact O-C 3.49Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; Y33-R121 PolarHBondContact N-O 3.17Å; Y33-R121 PolarHBondContact O-N 3.19Å; Y33-Y123 HydrophobicContact CD2-CE1 4.06Å; Y33-Y123 HydrophobicContact CE1-CE1 4.2Å; Y33-Y123 HydrophobicContact CE2-CD1 4.42Å; Y33-Y123 AromaticContact CE2-CE1 3.45Å; Y33-Y123 HydrophobicContact CE2-CE1 3.45Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; Y33-Y123 AromaticContact CZ-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 2.8Å
34	T	98.9	Very high	92.9	Very high	42 Å²	42	51.1 Å²	51.1	26%	0.258	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	124	175.6	-62.4	0	0	0	0	108.7	V36 F46 I47 I118 Q120	T34-V36 HydrophobicContact CG2-CG2 4.02Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 2.96Å; T34-I118 HydrophobicContact CG2-CG2 3.89Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å
35	A	98.7	Very high	95	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	120.6	172.1	0	0	0	0	0	110.8	H45 F46 D98 L102 I118 I119	A35-H45 CarbonylContact C-O 3.55Å; A35-H45 WeakPolarHBondContact CA-O 3.36Å; A35-F46 HydrophobicContact CB-CD2 4.16Å; A35-D98 HydrophobicContact CB-CB 3.66Å; A35-L102 HydrophobicContact CB-CD1 4Å; A35-I118 WeakPolarHBondContact O-CA 3.23Å; A35-I119 HydrophobicContact CB-CG2 3.73Å; A35-I119 PolarHBondContact N-O 3.09Å; A35-I119 PolarHBondContact O-N 3.29Å
36	V	98.5	Very high	96.2	Very high	39 Å²	39	48.5 Å²	48.5	24%	0.236	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.7	-177.7	-177.3	0	0	0	0	109.2	T34 P44 H45 I118	T34-V36 HydrophobicContact CG2-CG2 4.02Å; V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.3Å; V36-P44 WeakPolarHBondContact O-CB 3.31Å; V36-H45 HydrophobicContact CB-CB 4.45Å; V36-H45 PolarHBondContact N-O 2.8Å; V36-H45 PolarHBondContact O-N 3.19Å; V36-I118 HydrophobicContact CG1-CG1 4.24Å; V36-I118 HydrophobicContact CG2-CD1 4.4Å; V36-I118 HydrophobicContact CG2-CG1 4.16Å; V36-I118 HydrophobicContact CG2-CG2 4.22Å
37	S	97.8	Very high	96.6	Very high	19 Å²	19	47.4 Å²	47.4	13%	0.133	27%	0.265	C	S	.	.			trans	-71	141.4	174.7	69.6	0	0	0	0	111.3	S116 H117	S37-S116 WeakPolarHBondContact O-CB 3.21Å; S37-S116 PolarHBondContact O-OG 3.47Å; S37-H117 PolarHBondContact N-O 3.33Å; S37-H117 PolarHBondContact OG-N 3.27Å; S37-H117 PolarHBondContact OG-O 3.42Å
38	R	95.6	Very high	96.7	Very high	65 Å²	65	46 Å²	46	25%	0.245	26%	0.258	C	S	.	.			trans	-130.8	76	-173.5	-58.9	-178.1	-71.4	-166.4	-5.9	111.3	G40 R41 E43 H45 D63	R38-G40 PolarHBondContact O-N 2.99Å; R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 PolarHBondContact O-N 3.21Å; R38-E43 PolarHBondContact NE-O 2.71Å; R38-E43 VanDerWaalsContact NE-O 3.07Å; R38-E43 PolarHBondContact NH2-O 3.09Å; R38-H45 VanDerWaalsContact CZ-CB 3.49Å; R38-D63 IonicContact CZ-OD1 2.66Å; R38-D63 IonicContact CZ-OD2 2.76Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 IonicContact NH1-OD2 3.26Å; R38-D63 PolarHBondContact NH1-OD2 2.95Å; R38-D63 IonicContact NH2-OD1 3.53Å; R38-D63 PolarHBondContact NH2-OD1 2.93Å; R38-D63 IonicContact NH2-OD2 3.55Å; R38-D63 PolarHBondContact NH2-OD2 3.5Å
39	P	92	Very high	96.7	Very high	53 Å²	53	46.1 Å²	46.1	34%	0.344	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	130.4	-178.2	-27.9	35.5	0	0	0	112.7	R41 E113 R115	P39-R41 PolarHBondContact O-N 2.9Å; P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-R115 VanDerWaalsContact CG-O 3.3Å; P39-R115 WeakPolarHBondContact CG-O 3.13Å
40	G	89.8	Confident	96.7	Very high	91 Å²	91	46.1 Å²	46.1	94%	0.938	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	3.3	-177.9	0	0	0	0	0	116.1	R38	R38-G40 PolarHBondContact O-N 2.99Å
41	R	91.8	Very high	96.7	Very high	216 Å²	216	47.2 Å²	47.2	82%	0.815	26%	0.262	S	S	*	.	S	Bend	trans	-125	29	-178.8	-58.2	-175.1	-179.3	-169.1	0.1	113.3	R38 P39	R38-R41 HydrophobicContact CB-CB 4.08Å; R38-R41 PolarHBondContact O-N 3.21Å; P39-R41 PolarHBondContact O-N 2.9Å
42	G	90.7	Very high	96.7	Very high	62 Å²	62	47 Å²	47	64%	0.639	26%	0.262	S	S	*	.	S	Bend	trans	87.9	-149.4	178.6	0	0	0	0	0	113.5
43	E	93.9	Very high	96.6	Very high	93 Å²	93	44.3 Å²	44.3	44%	0.435	25%	0.251	S	S	.	.	S	Bend	trans	-79	158.9	-174.7	-65.7	-58.4	165.8	0	0	113.1	R38 H45 R99	R38-E43 PolarHBondContact NE-O 2.71Å; R38-E43 VanDerWaalsContact NE-O 3.07Å; R38-E43 PolarHBondContact NH2-O 3.09Å; E43-H45 PolarHBondContact O-N 2.86Å; E43-R99 IonicContact OE1-CZ 3.83Å; E43-R99 VanDerWaalsContact OE1-CZ 3.28Å; E43-R99 IonicContact OE1-NE 3.92Å; E43-R99 PolarHBondContact OE1-NE 3.47Å; E43-R99 IonicContact OE1-NH2 3.68Å; E43-R99 PolarHBondContact OE1-NH2 3.02Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 2.93Å; E43-R99 IonicContact OE2-NE 3.96Å; E43-R99 PolarHBondContact OE2-NE 3.01Å; E43-R99 IonicContact OE2-NH2 2.84Å
44	P	96.9	Very high	96.4	Very high	22 Å²	22	47 Å²	47	14%	0.143	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-53	134.5	172.7	-26	35.4	0	0	0	111.9	V36 F46 R99 L102	V36-P44 CarbonylContact O-C 3.55Å; V36-P44 WeakPolarHBondContact O-CA 3.3Å; V36-P44 WeakPolarHBondContact O-CB 3.31Å; P44-F46 PolarHBondContact O-N 3.5Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.25Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.79Å
45	H	98.4	Very high	96.3	Very high	41 Å²	41	46 Å²	46	19%	0.19	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	122.6	171.1	-166.5	-179.8	0	0	0	107.7	A35 V36 R38 E43 D61 S62 D63	A35-H45 CarbonylContact C-O 3.55Å; A35-H45 WeakPolarHBondContact CA-O 3.36Å; V36-H45 HydrophobicContact CB-CB 4.45Å; V36-H45 PolarHBondContact N-O 2.8Å; V36-H45 PolarHBondContact O-N 3.19Å; R38-H45 VanDerWaalsContact CZ-CB 3.49Å; E43-H45 PolarHBondContact O-N 2.86Å; H45-D61 IonicContact CD2-OD1 3.43Å; H45-D61 IonicContact CE1-OD1 2.65Å; H45-D61 IonicContact NE2-OD1 2.73Å; H45-D61 PolarHBondContact NE2-OD1 2.96Å; H45-D61 IonicContact NE2-OD2 3.06Å; H45-S62 PolarHBondContact CD2-OG 3.23Å; H45-D63 VanDerWaalsContact CD2-CG 3.49Å; H45-D63 IonicContact CD2-OD1 2.75Å; H45-D63 PolarHBondContact CD2-OD1 3.21Å; H45-D63 IonicContact CD2-OD2 3.86Å; H45-D63 IonicContact CG-OD1 3.84Å; H45-D63 IonicContact NE2-OD1 2.7Å; H45-D63 IonicContact NE2-OD2 3.08Å
46	F	98.7	Very high	96.2	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.4	173.7	176.6	-89.8	0	0	0	110.1	Y33 T34 A35 P44 A48 F60 S62 Y91 Q94 A95 D98	Y33-F46 HydrophobicContact CD1-CZ 4.22Å; Y33-F46 HydrophobicContact CD2-CE2 4.41Å; Y33-F46 HydrophobicContact CD2-CZ 4.17Å; Y33-F46 HydrophobicContact CG-CE2 4.2Å; Y33-F46 AromaticContact CG-CZ 3.94Å; Y33-F46 HydrophobicContact CG-CZ 3.94Å; T34-F46 WeakPolarHBondContact O-CA 3.44Å; A35-F46 HydrophobicContact CB-CD2 4.16Å; P44-F46 PolarHBondContact O-N 3.5Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.86Å; F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 PolarHBondContact O-N 2.82Å; F46-S62 PolarHBondContact O-OG 2.83Å; F46-Y91 HydrophobicContact CE1-CD1 4.49Å; F46-Q94 HydrophobicContact CE2-CB 4.19Å; F46-Q94 HydrophobicContact CE2-CG 3.67Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; F46-A95 HydrophobicContact CB-CB 3.71Å; F46-A95 HydrophobicContact CD1-CB 3.85Å; F46-A95 HydrophobicContact CD2-CB 4.04Å; F46-A95 HydrophobicContact CG-CB 3.58Å; F46-D98 VanDerWaalsContact CE2-OD2 3.32Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å
47	I	98.8	Very high	96.2	Very high	50 Å²	50	46.6 Å²	46.6	26%	0.256	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	136.1	171.3	-63.1	164.3	0	0	0	108.1	Y33 T34 V49 F60	Y33-I47 WeakPolarHBondContact CA-O 3.38Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 2.96Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å
48	A	98.8	Very high	96.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	137.9	170.5	0	0	0	0	0	110.3	F32 Y33 F46 R59 F60 Y91	F32-A48 WeakPolarHBondContact O-CA 3.28Å; Y33-A48 HydrophobicContact CD1-CB 3.27Å; Y33-A48 HydrophobicContact CE1-CB 3.39Å; Y33-A48 HydrophobicContact CG-CB 4.27Å; F46-A48 HydrophobicContact CE1-CB 3.65Å; F46-A48 HydrophobicContact CZ-CB 3.86Å; A48-R59 CarbonylContact O-C 3.41Å; A48-R59 WeakPolarHBondContact O-CA 3.19Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.86Å; A48-F60 PolarHBondContact O-N 3.46Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å; A48-Y91 HydrophobicContact CB-CG 4.45Å
49	V	98.8	Very high	96.4	Very high	27 Å²	27	46.6 Å²	46.6	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	146.7	172.4	-62.8	0	0	0	0	110	Y31 F32 I47 Y51 Q56 V58 R59	Y31-V49 WeakPolarHBondContact CA-O 3.37Å; F32-V49 HydrophobicContact CB-CG2 3.87Å; F32-V49 HydrophobicContact CD2-CG2 4.37Å; F32-V49 PolarHBondContact N-O 2.9Å; F32-V49 PolarHBondContact O-N 2.8Å; I47-V49 HydrophobicContact CG2-CG1 4.37Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; V49-R59 HydrophobicContact CG1-CG 4.31Å
50	G	98.6	Very high	96.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.8	176.4	0	0	0	0	0	111	R30 F57 V58	R30-G50 WeakPolarHBondContact O-CA 3.27Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.13Å; G50-F57 PolarHBondContact O-N 3.27Å; G50-V58 PolarHBondContact N-O 3.36Å; G50-V58 PolarHBondContact O-N 2.87Å
51	Y	98.6	Very high	97.1	Very high	72 Å²	72	41 Å²	41	28%	0.282	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.2	-177.6	-75.7	-104.8	0	0	0	110.4	M29 R30 F32 V49 T55 Q56	M29-Y51 WeakPolarHBondContact CA-O 3.45Å; R30-Y51 PolarHBondContact N-O 3.42Å; R30-Y51 PolarHBondContact O-N 2.8Å; F32-Y51 HydrophobicContact CD2-CD2 4.13Å; F32-Y51 HydrophobicContact CE2-CD2 4.17Å; V49-Y51 HydrophobicContact CB-CE2 4.1Å; V49-Y51 HydrophobicContact CG2-CD2 4.37Å; V49-Y51 HydrophobicContact CG2-CE2 3.82Å; Y51-T55 WeakPolarHBondContact CA-O 3.01Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 HydrophobicContact CD2-CG 4.31Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å
52	V	98.3	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.7	157.2	175.9	0	0	0	0	105.9	S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203	S28-V52 CarbonylContact O-C 3.54Å; S28-V52 VanDerWaalsContact O-CA 3.3Å; S28-V52 WeakPolarHBondContact O-CA 3.23Å; M29-V52 HydrophobicContact CG-CG2 4.34Å; V52-D54 PolarHBondContact O-N 2.84Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 2.79Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; V52-W75 HydrophobicContact CB-CH2 4.31Å; V52-W75 HydrophobicContact CB-CZ2 4.37Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V52-Y195 HydrophobicContact CG2-CD2 3.83Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å
53	D	95.9	Very high	97.7	Very high	28 Å²	28	33.4 Å²	33.4	15%	0.15	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	-130.1	-165.5	-49.9	-43.1	0	0	0	110.2	H27 S28 T55	H27-D53 VanDerWaalsContact CA-OD1 3.26Å; H27-D53 WeakPolarHBondContact CA-OD1 3.41Å; H27-D53 IonicContact CE1-OD2 3.22Å; H27-D53 IonicContact CG-OD2 3.91Å; H27-D53 IonicContact ND1-OD1 3.64Å; H27-D53 IonicContact ND1-OD2 3.88Å; H27-D53 PolarHBondContact ND1-OD2 2.83Å; S28-D53 PolarHBondContact N-OD1 2.91Å; S28-D53 PolarHBondContact O-N 2.72Å; S28-D53 PolarHBondContact OG-OD1 3Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 2.21Å
54	D	95.5	Very high	97.9	Very high	63 Å²	63	30.6 Å²	30.6	34%	0.337	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.1	177.5	-62.7	-58.6	0	0	0	114.2	V52 Y233 P234 A235 F265	V52-D54 PolarHBondContact O-N 2.84Å; D54-Y233 HydrophobicContact CB-CE2 4Å; D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD2-CB 3.29Å; D54-A235 PolarHBondContact OD2-N 3.41Å; D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.74Å
55	T	96.4	Very high	97.9	Very high	21 Å²	21	35.2 Å²	35.2	13%	0.129	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.9	-175.9	-63.6	0	0	0	0	111.8	Y51 V52 D53 F57 A73 W75 L203 Y233	Y51-T55 WeakPolarHBondContact CA-O 3.01Å; V52-T55 PolarHBondContact N-O 2.84Å; V52-T55 WeakPolarHBondContact O-CB 3.33Å; V52-T55 PolarHBondContact O-N 2.79Å; D53-T55 VanDerWaalsContact C-N 3.28Å; D53-T55 PolarHBondContact O-N 2.21Å; T55-F57 PolarHBondContact O-N 3.21Å; T55-A73 HydrophobicContact CG2-CB 4.34Å; T55-W75 HydrophobicContact CG2-CZ2 4.45Å; T55-L203 HydrophobicContact CG2-CD2 4Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.32Å; T55-Y233 PolarHBondContact OG1-OH 3.21Å
56	Q	97.4	Very high	97.8	Very high	53 Å²	53	37 Å²	37	25%	0.248	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128	171.6	-166.2	-176.6	2.4	0	0	110.5	V49 Y51 V58 R72	V49-Q56 VanDerWaalsContact CG1-NE2 3.28Å; Y51-Q56 HydrophobicContact CD1-CB 4.03Å; Y51-Q56 HydrophobicContact CD2-CG 4.31Å; Y51-Q56 HydrophobicContact CE1-CB 3.58Å; Y51-Q56 HydrophobicContact CE1-CG 4.28Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.86Å; Y51-Q56 HydrophobicContact CG-CB 4.46Å; Q56-V58 PolarHBondContact NE2-O 2.92Å; Q56-V58 VanDerWaalsContact NE2-O 3.11Å; Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.44Å; Q56-R72 CarbonylContact O-C 3.58Å
57	F	98.1	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	-20.8	178.9	75.4	-88.8	0	0	0	114.4	M29 Y31 G50 V52 T55 R72 A73 W75 V76 Y195	M29-F57 HydrophobicContact CG-CE1 4.35Å; M29-F57 HydrophobicContact SD-CZ 4.25Å; Y31-F57 HydrophobicContact CE1-CZ 4.06Å; Y31-F57 AromaticContact CZ-CZ 3.84Å; G50-F57 VanDerWaalsContact C-CD1 3.41Å; G50-F57 WeakPolarHBondContact O-CD1 3.13Å; G50-F57 PolarHBondContact O-N 3.27Å; V52-F57 HydrophobicContact CG2-CD1 3.93Å; V52-F57 HydrophobicContact CG2-CE1 3.95Å; T55-F57 PolarHBondContact O-N 3.21Å; F57-R72 PolarHBondContact O-N 3.15Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.43Å; F57-W75 VanDerWaalsContact CB-CZ2 3.43Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 4.02Å; F57-W75 HydrophobicContact CD2-CZ3 4.25Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.47Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.2Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.28Å; F57-Y195 HydrophobicContact CD2-CE2 4.4Å; F57-Y195 HydrophobicContact CE1-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CE2 3.67Å
58	V	98.4	Very high	97.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.3	179.9	63.8	0	0	0	0	112.5	Y31 V49 G50 Q56 E70 W84 Y91	Y31-V58 HydrophobicContact CE1-CG1 4.12Å; V49-V58 WeakPolarHBondContact CA-O 3.42Å; G50-V58 PolarHBondContact N-O 3.36Å; G50-V58 PolarHBondContact O-N 2.87Å; Q56-V58 PolarHBondContact NE2-O 2.92Å; Q56-V58 VanDerWaalsContact NE2-O 3.11Å; V58-E70 WeakPolarHBondContact CA-O 3.44Å; V58-W84 HydrophobicContact CG2-CZ3 4.09Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.35Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.31Å
59	R	98.4	Very high	97.6	Very high	85 Å²	85	43.5 Å²	43.5	32%	0.321	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.4	167.5	-179.3	172.9	172.9	144.1	-1.4	110.4	A48 V49 D61 E70 R72	A48-R59 CarbonylContact O-C 3.41Å; A48-R59 WeakPolarHBondContact O-CA 3.19Å; V49-R59 HydrophobicContact CG1-CG 4.31Å; R59-D61 IonicContact CZ-OD2 2.82Å; R59-D61 IonicContact NE-OD2 3.97Å; R59-D61 IonicContact NH2-OD2 2.86Å; R59-D61 PolarHBondContact NH2-OD2 2.85Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 2.74Å; R59-R72 HydrophobicContact CB-CG 3.97Å
60	F	98.8	Very high	97.5	Very high	3 Å²	3	44.7 Å²	44.7	1%	0.013	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.2	161	174	-78.4	0	0	0	108.5	F46 I47 A48 P67 R68 Y91 K92	F46-F60 AromaticContact CD1-CD1 3.72Å; F46-F60 HydrophobicContact CD1-CD1 3.72Å; F46-F60 AromaticContact CD1-CE1 3.78Å; F46-F60 HydrophobicContact CD1-CE1 3.78Å; F46-F60 AromaticContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CD1 3.88Å; F46-F60 HydrophobicContact CE1-CE1 4.23Å; I47-F60 WeakPolarHBondContact CA-O 3.33Å; A48-F60 HydrophobicContact CB-CB 4.25Å; A48-F60 PolarHBondContact N-O 2.86Å; A48-F60 PolarHBondContact O-N 3.46Å; F60-P67 HydrophobicContact CE1-CB 4.44Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.39Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.5Å; F60-Y91 HydrophobicContact CB-CE2 3.97Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.93Å; F60-Y91 HydrophobicContact CD2-CG 3.93Å; F60-Y91 AromaticContact CG-CD2 3.77Å; F60-Y91 HydrophobicContact CG-CD2 3.77Å; F60-Y91 AromaticContact CG-CG 3.77Å; F60-Y91 HydrophobicContact CG-CG 3.77Å; F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 3.96Å
61	D	98.6	Very high	97.5	Very high	24 Å²	24	47 Å²	47	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.5	179.7	-161.1	-41.7	0	0	0	109.1	H45 R59 D63 A64	H45-D61 IonicContact CD2-OD1 3.43Å; H45-D61 IonicContact CE1-OD1 2.65Å; H45-D61 IonicContact NE2-OD1 2.73Å; H45-D61 PolarHBondContact NE2-OD1 2.96Å; H45-D61 IonicContact NE2-OD2 3.06Å; R59-D61 IonicContact CZ-OD2 2.82Å; R59-D61 IonicContact NE-OD2 3.97Å; R59-D61 IonicContact NH2-OD2 2.86Å; R59-D61 PolarHBondContact NH2-OD2 2.85Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 3.16Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.12Å; D61-A64 PolarHBondContact O-N 2.84Å
62	S	98.2	Very high	97.4	Very high	36 Å²	36	49.5 Å²	49.5	25%	0.252	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-21.6	-177.9	68.6	0	0	0	0	113.8	H45 F46 P67	H45-S62 PolarHBondContact CD2-OG 3.23Å; F46-S62 PolarHBondContact N-OG 2.95Å; F46-S62 PolarHBondContact O-N 2.82Å; F46-S62 PolarHBondContact O-OG 2.83Å; S62-P67 WeakPolarHBondContact O-CG 3.48Å
63	D	97.2	Very high	97.3	Very high	81 Å²	81	49.7 Å²	49.7	43%	0.433	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.6	-176.4	-75.8	26.6	0	0	0	112.3	R38 H45 D61	R38-D63 IonicContact CZ-OD1 2.66Å; R38-D63 IonicContact CZ-OD2 2.76Å; R38-D63 IonicContact NH1-OD1 3.39Å; R38-D63 IonicContact NH1-OD2 3.26Å; R38-D63 PolarHBondContact NH1-OD2 2.95Å; R38-D63 IonicContact NH2-OD1 3.53Å; R38-D63 PolarHBondContact NH2-OD1 2.93Å; R38-D63 IonicContact NH2-OD2 3.55Å; R38-D63 PolarHBondContact NH2-OD2 3.5Å; H45-D63 VanDerWaalsContact CD2-CG 3.49Å; H45-D63 IonicContact CD2-OD1 2.75Å; H45-D63 PolarHBondContact CD2-OD1 3.21Å; H45-D63 IonicContact CD2-OD2 3.86Å; H45-D63 IonicContact CG-OD1 3.84Å; H45-D63 IonicContact NE2-OD1 2.7Å; H45-D63 IonicContact NE2-OD2 3.08Å; D61-D63 PolarHBondContact O-N 2.03Å; D61-D63 PolarHBondContact OD1-N 3.16Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å
64	A	97.3	Very high	97.3	Very high	35 Å²	35	53.1 Å²	53.1	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	-61.3	146.7	171.1	0	0	0	0	0	111	D61 S66 P67	D61-A64 HydrophobicContact CB-CB 4.33Å; D61-A64 WeakPolarHBondContact O-CB 3.12Å; D61-A64 PolarHBondContact O-N 2.84Å; A64-S66 PolarHBondContact O-N 2.86Å; A64-P67 WeakPolarHBondContact O-CD 2.95Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å
65	A	96.7	Very high	97.3	Very high	118 Å²	118	50.8 Å²	50.8	98%	0.975	28%	0.283	S	S	*	.	S	Bend	trans	-59.2	-23.8	-178.8	0	0	0	0	0	114
66	S	95.9	Very high	97.4	Very high	80 Å²	80	49.8 Å²	49.8	56%	0.559	28%	0.277	S	S	*	.	S	Bend	trans	-139.7	91	169.1	-173.4	0	0	0	0	109.2	A64 R68	A64-S66 PolarHBondContact O-N 2.86Å; S66-R68 PolarHBondContact O-N 2.87Å; S66-R68 VanDerWaalsContact O-N 3.13Å
67	P	97.1	Very high	97.3	Very high	34 Å²	34	53 Å²	53	22%	0.221	29%	0.292	C	S	.	.			trans	-65.2	113.8	-174	-25	36.2	0	0	0	112.1	F60 S62 A64 K92	F60-P67 HydrophobicContact CE1-CB 4.44Å; F60-P67 HydrophobicContact CE2-CB 3.88Å; F60-P67 HydrophobicContact CZ-CB 3.62Å; S62-P67 WeakPolarHBondContact O-CG 3.48Å; A64-P67 WeakPolarHBondContact O-CD 2.95Å; A64-P67 VanDerWaalsContact O-CG 3.29Å; A64-P67 WeakPolarHBondContact O-CG 3.17Å; P67-K92 WeakPolarHBondContact O-CE 3.42Å; P67-K92 PolarHBondContact O-NZ 3.34Å
68	R	97.8	Very high	97.1	Very high	148 Å²	148	59.1 Å²	59.1	56%	0.558	32%	0.321	S	S	*	.			trans	-146.7	161.6	178.4	62.9	-176	172.1	178.3	-1.1	110.5	F60 S66 E70 T88	F60-R68 VanDerWaalsContact CD2-C 3.43Å; F60-R68 WeakPolarHBondContact CD2-O 3.39Å; S66-R68 PolarHBondContact O-N 2.87Å; S66-R68 VanDerWaalsContact O-N 3.13Å; R68-E70 HydrophobicContact CG-CG 4.23Å; R68-T88 WeakPolarHBondContact CA-OG1 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.26Å
69	G	97.4	Very high	97	Very high	5 Å²	5	59.6 Å²	59.6	5%	0.052	32%	0.323	C	S	.	.			trans	-67	131.3	166.3	0	0	0	0	0	109.4	T88	G69-T88 PolarHBondContact N-OG1 2.85Å
70	E	97.7	Very high	96.9	Very high	53 Å²	53	57.2 Å²	57.2	25%	0.248	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.9	-178.6	-62.4	-177.9	149.2	0	0	110.1	V58 R59 R68 R72	V58-E70 WeakPolarHBondContact CA-O 3.44Å; R59-E70 PolarHBondContact N-O 2.82Å; R59-E70 PolarHBondContact O-N 2.74Å; R68-E70 HydrophobicContact CG-CG 4.23Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH2 2.72Å; E70-R72 PolarHBondContact OE2-NH2 2.71Å
71	P	97.9	Very high	96.8	Very high	49 Å²	49	61.8 Å²	61.8	32%	0.318	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	145.7	173	28	-34.4	0	0	0	111	V76 E77 W84	P71-V76 HydrophobicContact CB-CG1 3.85Å; P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.92Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.85Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å
72	R	97.4	Very high	96.8	Very high	123 Å²	123	68.2 Å²	68.2	46%	0.464	38%	0.384	S	S	.	.			trans	-129	-2	174.5	-59.8	-65.7	168.1	170.6	-4.3	113.3	Q56 F57 R59 E70	Q56-R72 HydrophobicContact CG-CB 4.15Å; Q56-R72 HydrophobicContact CG-CG 4.44Å; Q56-R72 CarbonylContact O-C 3.58Å; F57-R72 PolarHBondContact O-N 3.15Å; R59-R72 HydrophobicContact CB-CG 3.97Å; E70-R72 IonicContact OE2-CZ 2.79Å; E70-R72 IonicContact OE2-NH2 2.72Å; E70-R72 PolarHBondContact OE2-NH2 2.71Å
73	A	95.9	Very high	96.7	Very high	5 Å²	5	66.8 Å²	66.8	4%	0.041	37%	0.374	C	S	.	.	S	Bend	trans	-136.7	141.7	171.4	0	0	0	0	0	110.7	T55 F57 W75 V76	T55-A73 HydrophobicContact CG2-CB 4.34Å; F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3.27Å; A73-W75 VanDerWaalsContact O-N 3.15Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.82Å
74	P	96.1	Very high	96.8	Very high	100 Å²	100	64.8 Å²	64.8	65%	0.649	36%	0.36	S	S	*	.	H	α-helix	trans	-58.6	-32.3	-176.1	-27.3	35.4	0	0	0	114.4	V76 E77	P74-V76 PolarHBondContact O-N 2.91Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.39Å; P74-E77 VanDerWaalsContact O-N 3.16Å
75	W	95.7	Very high	96.8	Very high	13 Å²	13	68.1 Å²	68.1	5%	0.049	37%	0.373	C	S	.	.	H	α-helix	trans	-71.8	-11.2	-176.7	55.2	-108.7	0	0	0	114.7	V52 T55 F57 A73 Q78 Y195 N198 G199 L203	V52-W75 HydrophobicContact CB-CH2 4.31Å; V52-W75 HydrophobicContact CB-CZ2 4.37Å; V52-W75 HydrophobicContact CG2-CH2 3.85Å; V52-W75 HydrophobicContact CG2-CZ2 4.4Å; T55-W75 HydrophobicContact CG2-CZ2 4.45Å; F57-W75 HydrophobicContact CB-CH2 3.17Å; F57-W75 HydrophobicContact CB-CZ2 3.43Å; F57-W75 VanDerWaalsContact CB-CZ2 3.43Å; F57-W75 HydrophobicContact CB-CZ3 3.93Å; F57-W75 AromaticContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD1-CH2 3.95Å; F57-W75 HydrophobicContact CD2-CH2 4.02Å; F57-W75 HydrophobicContact CD2-CZ3 4.25Å; F57-W75 AromaticContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CH2 3.47Å; F57-W75 VanDerWaalsContact CG-CH2 3.47Å; F57-W75 HydrophobicContact CG-CZ2 4.18Å; F57-W75 HydrophobicContact CG-CZ3 4.15Å; A73-W75 HydrophobicContact CB-CD2 4.2Å; A73-W75 HydrophobicContact CB-CG 4.37Å; A73-W75 HydrophobicContact CB-CZ2 4.08Å; A73-W75 PolarHBondContact O-N 3.27Å; A73-W75 VanDerWaalsContact O-N 3.15Å; W75-Q78 WeakPolarHBondContact O-CG 3.42Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.03Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.5Å; W75-Y195 HydrophobicContact CZ3-CG 3.5Å; W75-N198 HydrophobicContact CB-CB 4.4Å; W75-G199 VanDerWaalsContact CB-CA 3.5Å; W75-G199 VanDerWaalsContact CG-CA 3.44Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.78Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å
76	V	97.2	Very high	96.8	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-98.9	-14.5	171.1	76.1	0	0	0	0	112.5	F57 P71 A73 P74 Q78 E79 Y83 W84 Y195	F57-V76 HydrophobicContact CB-CG1 4.36Å; F57-V76 HydrophobicContact CD2-CB 4.47Å; F57-V76 HydrophobicContact CD2-CG1 4.42Å; F57-V76 HydrophobicContact CD2-CG2 4.2Å; F57-V76 VanDerWaalsContact O-CG1 3.28Å; F57-V76 WeakPolarHBondContact O-CG1 3.28Å; P71-V76 HydrophobicContact CB-CG1 3.85Å; A73-V76 WeakPolarHBondContact O-CG1 3.43Å; A73-V76 PolarHBondContact O-N 2.82Å; P74-V76 PolarHBondContact O-N 2.91Å; V76-Q78 PolarHBondContact O-N 2.89Å; V76-E79 HydrophobicContact CG2-CB 4.46Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.98Å; V76-Y83 HydrophobicContact CG2-CE1 4.08Å; V76-W84 HydrophobicContact CG1-CH2 3.93Å; V76-W84 HydrophobicContact CG1-CZ2 4.15Å; V76-W84 HydrophobicContact CG2-CH2 4.07Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.38Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å
77	E	95.6	Very high	96.9	Very high	122 Å²	122	63.6 Å²	63.6	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-25.7	178.7	-65.5	178.3	-170.9	0	0	113	P71 P74 E79	P71-E77 HydrophobicContact CB-CG 3.66Å; P71-E77 HydrophobicContact CG-CG 3.92Å; P74-E77 WeakPolarHBondContact O-CB 3.24Å; P74-E77 PolarHBondContact O-N 3.39Å; P74-E77 VanDerWaalsContact O-N 3.16Å; E77-E79 PolarHBondContact O-N 3.46Å
78	Q	94.6	Very high	97	Very high	127 Å²	127	62.4 Å²	62.4	59%	0.593	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-8.4	174.2	66.2	177	17.5	0	0	114.5	W75 V76 N198	W75-Q78 WeakPolarHBondContact O-CG 3.42Å; V76-Q78 PolarHBondContact O-N 2.89Å; Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å
79	E	96.6	Very high	97	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.047	31%	0.307	C	S	.	.	S	Bend	trans	-69.7	133.5	175.1	-66.6	-62.4	160.3	0	0	111	V76 E77 Y83 W84 R194 N198	V76-E79 HydrophobicContact CG2-CB 4.46Å; V76-E79 HydrophobicContact CG2-CG 3.77Å; V76-E79 VanDerWaalsContact O-CB 3.31Å; V76-E79 WeakPolarHBondContact O-CB 3.41Å; V76-E79 WeakPolarHBondContact O-CG 3.47Å; V76-E79 PolarHBondContact O-N 2.98Å; E77-E79 PolarHBondContact O-N 3.46Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; E79-W84 VanDerWaalsContact O-CD1 3.28Å; E79-W84 PolarHBondContact O-NE1 2.87Å; E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.44Å; E79-R194 IonicContact OE1-NE 2.67Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 3.8Å; E79-R194 PolarHBondContact OE1-NH2 2.86Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.73Å; E79-R194 IonicContact OE2-NH2 3.53Å; E79-R194 PolarHBondContact OE2-NH2 2.98Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å
80	G	95.7	Very high	97	Very high	36 Å²	36	63 Å²	63	37%	0.371	32%	0.318	S	S	.	.			trans	-68.8	169	-173.2	0	0	0	0	0	114.7	E82 Y83 W84	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.04Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 3.32Å; G80-W84 PolarHBondContact O-N 3.18Å
81	P	96.9	Very high	97	Very high	98 Å²	98	60.5 Å²	60.5	64%	0.636	31%	0.306	S	S	*	.	H	α-helix	trans	-56.9	-37.1	-177.3	22.6	-33.5	0	0	0	113.1	Y83 W84 D85	P81-Y83 PolarHBondContact O-N 3.5Å; P81-W84 PolarHBondContact O-N 3.02Å; P81-W84 VanDerWaalsContact O-N 3.1Å; P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 2.79Å
82	E	97.3	Very high	97	Very high	159 Å²	159	62 Å²	62	74%	0.743	31%	0.307	S	S	*	.	H	α-helix	trans	-58.8	-33.2	177	-61.2	-179.1	-178.5	0	0	113.6	G80 R86	G80-E82 VanDerWaalsContact C-N 3.26Å; G80-E82 PolarHBondContact O-N 3.04Å; E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-N 3.12Å
83	Y	97.4	Very high	97.1	Very high	7 Å²	7	64 Å²	64	3%	0.027	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-52.5	173.6	166.3	-90.7	0	0	0	109.8	V76 E79 G80 P81 D85 R86 E87 W191 Y195	V76-Y83 HydrophobicContact CG2-CE1 4.08Å; E79-Y83 HydrophobicContact CB-CD1 3.47Å; E79-Y83 VanDerWaalsContact CB-CD1 3.47Å; E79-Y83 HydrophobicContact CB-CD2 4.48Å; E79-Y83 HydrophobicContact CB-CE1 4.06Å; E79-Y83 HydrophobicContact CB-CG 3.74Å; E79-Y83 HydrophobicContact CG-CD1 4.09Å; E79-Y83 HydrophobicContact CG-CD2 4.48Å; E79-Y83 HydrophobicContact CG-CE1 4.28Å; E79-Y83 HydrophobicContact CG-CG 4.21Å; G80-Y83 WeakPolarHBondContact O-CB 3.42Å; G80-Y83 PolarHBondContact O-N 3.32Å; P81-Y83 PolarHBondContact O-N 3.5Å; Y83-D85 PolarHBondContact O-N 3.43Å; Y83-R86 PolarHBondContact O-N 3.24Å; Y83-E87 HydrophobicContact CD1-CG 4.47Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 4.1Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.23Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 HydrophobicContact CE2-CH2 4.06Å; Y83-W191 AromaticContact CE2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CZ3 3.76Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.33Å; Y83-Y195 PolarHBondContact OH-OH 2.99Å
84	W	97.9	Very high	97.2	Very high	38 Å²	38	64.9 Å²	64.9	14%	0.144	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-38.4	-177.7	-66.7	109.6	0	0	0	113.2	V58 P71 V76 E79 G80 P81 T88	V58-W84 HydrophobicContact CG2-CZ3 4.09Å; P71-W84 HydrophobicContact CB-CH2 3.67Å; P71-W84 HydrophobicContact CB-CZ2 3.85Å; P71-W84 HydrophobicContact CG-CH2 4.27Å; P71-W84 HydrophobicContact CG-CZ2 4.29Å; V76-W84 HydrophobicContact CG1-CH2 3.93Å; V76-W84 HydrophobicContact CG1-CZ2 4.15Å; V76-W84 HydrophobicContact CG2-CH2 4.07Å; V76-W84 HydrophobicContact CG2-CZ2 4.05Å; V76-W84 WeakPolarHBondContact O-CZ2 3.38Å; E79-W84 VanDerWaalsContact O-CD1 3.28Å; E79-W84 PolarHBondContact O-NE1 2.87Å; G80-W84 PolarHBondContact O-N 3.18Å; P81-W84 PolarHBondContact O-N 3.02Å; P81-W84 VanDerWaalsContact O-N 3.1Å; W84-T88 WeakPolarHBondContact O-CB 3.47Å; W84-T88 PolarHBondContact O-N 3.27Å; W84-T88 PolarHBondContact O-OG1 3.33Å
85	D	97.9	Very high	97.3	Very high	105 Å²	105	61 Å²	61	56%	0.561	29%	0.294	S	S	*	.	H	α-helix	trans	-64.4	-47.9	173.5	-77	-28.9	0	0	0	111	P81 Y83 E87 T88 Q89	P81-D85 WeakPolarHBondContact O-CB 3.46Å; P81-D85 PolarHBondContact O-N 2.79Å; Y83-D85 PolarHBondContact O-N 3.43Å; D85-E87 PolarHBondContact O-N 3.21Å; D85-T88 WeakPolarHBondContact O-CB 3.19Å; D85-T88 PolarHBondContact O-N 2.99Å; D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.4Å; D85-Q89 PolarHBondContact O-N 2.97Å
86	R	97.3	Very high	97.4	Very high	99 Å²	99	65.1 Å²	65.1	37%	0.374	31%	0.314	S	S	.	.	H	α-helix	trans	-62.1	-45.7	179.2	-178.2	-178	63.4	-132.3	-3.6	112.3	E82 Y83 Q89 K90	E82-R86 WeakPolarHBondContact O-CB 3.36Å; E82-R86 PolarHBondContact O-N 2.81Å; E82-R86 VanDerWaalsContact O-N 3.12Å; Y83-R86 PolarHBondContact O-N 3.24Å; R86-Q89 PolarHBondContact O-N 2.89Å; R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 3.06Å
87	E	97.4	Very high	97.4	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-66.5	-41.4	177.5	-60.1	-39.8	113.3	0	0	111	Y83 D85 Q89 K90 Y91	Y83-E87 HydrophobicContact CD1-CG 4.47Å; Y83-E87 HydrophobicContact CD2-CG 4.1Å; Y83-E87 HydrophobicContact CE1-CG 4.1Å; Y83-E87 HydrophobicContact CE2-CG 3.66Å; Y83-E87 HydrophobicContact CG-CG 4.45Å; Y83-E87 WeakPolarHBondContact O-CG 3.45Å; Y83-E87 PolarHBondContact O-N 3.23Å; D85-E87 PolarHBondContact O-N 3.21Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.19Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.35Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 WeakPolarHBondContact OE1-CE 3.39Å; E87-K90 IonicContact OE1-NZ 3.26Å; E87-K90 PolarHBondContact OE1-NZ 2.97Å; E87-K90 WeakPolarHBondContact OE2-CD 3.42Å; E87-K90 IonicContact OE2-NZ 3.93Å; E87-K90 PolarHBondContact OE2-NZ 3.4Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.44Å; E87-Y91 PolarHBondContact O-N 3.04Å
88	T	98.4	Very high	97.6	Very high	10 Å²	10	63 Å²	63	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-55.6	-43.3	172	-64.7	0	0	0	0	112.4	R68 G69 W84 D85 Y91 K92	R68-T88 WeakPolarHBondContact CA-OG1 3.37Å; R68-T88 HydrophobicContact CB-CG2 4.26Å; G69-T88 PolarHBondContact N-OG1 2.85Å; W84-T88 WeakPolarHBondContact O-CB 3.47Å; W84-T88 PolarHBondContact O-N 3.27Å; W84-T88 PolarHBondContact O-OG1 3.33Å; D85-T88 WeakPolarHBondContact O-CB 3.19Å; D85-T88 PolarHBondContact O-N 2.99Å; T88-Y91 PolarHBondContact O-N 2.97Å; T88-K92 HydrophobicContact CG2-CD 4.02Å; T88-K92 WeakPolarHBondContact O-CB 3.48Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 3.44Å
89	Q	98.3	Very high	97.7	Very high	103 Å²	103	60.1 Å²	60.1	48%	0.481	29%	0.293	S	S	.	.	H	α-helix	trans	-73.3	-26.2	177.3	-64.8	-59.7	-17.5	0	0	113.4	D85 R86 E87 R93	D85-Q89 VanDerWaalsContact O-CG 3.31Å; D85-Q89 WeakPolarHBondContact O-CG 3.4Å; D85-Q89 PolarHBondContact O-N 2.97Å; R86-Q89 PolarHBondContact O-N 2.89Å; E87-Q89 VanDerWaalsContact C-N 3.31Å; E87-Q89 PolarHBondContact O-N 3.19Å; Q89-R93 WeakPolarHBondContact O-CB 3.32Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 3.42Å; Q89-R93 VanDerWaalsContact O-NE 3.15Å
90	K	97.4	Very high	97.7	Very high	62 Å²	62	63 Å²	63	27%	0.27	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-50.8	168.4	-73.1	169.1	179.1	172.8	0	110.7	R86 E87 K92 R93 Q94	R86-K90 WeakPolarHBondContact O-CG 3.36Å; R86-K90 PolarHBondContact O-N 3.06Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3.35Å; E87-K90 VanDerWaalsContact O-N 3.08Å; E87-K90 WeakPolarHBondContact OE1-CE 3.39Å; E87-K90 IonicContact OE1-NZ 3.26Å; E87-K90 PolarHBondContact OE1-NZ 2.97Å; E87-K90 WeakPolarHBondContact OE2-CD 3.42Å; E87-K90 IonicContact OE2-NZ 3.93Å; E87-K90 PolarHBondContact OE2-NZ 3.4Å; K90-K92 PolarHBondContact O-N 3.3Å; K90-R93 PolarHBondContact O-N 2.97Å; K90-Q94 PolarHBondContact O-N 3.29Å
91	Y	98.5	Very high	97.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-44.2	178.8	-60.7	-48.6	0	0	0	112.2	Y33 F46 A48 V58 F60 E87 T88 R93 Q94 A95	Y33-Y91 HydrophobicContact CE1-CD1 4.06Å; Y33-Y91 AromaticContact CE1-CE1 3.76Å; Y33-Y91 HydrophobicContact CE1-CE1 3.76Å; Y33-Y91 AromaticContact CZ-CE1 3.93Å; Y33-Y91 WeakPolarHBondContact OH-CE1 3.23Å; F46-Y91 HydrophobicContact CE1-CD1 4.49Å; A48-Y91 HydrophobicContact CB-CD1 3.65Å; A48-Y91 HydrophobicContact CB-CE1 3.75Å; A48-Y91 HydrophobicContact CB-CG 4.45Å; V58-Y91 WeakPolarHBondContact CG1-OH 3.35Å; V58-Y91 HydrophobicContact CG2-CE2 4.22Å; V58-Y91 WeakPolarHBondContact CG2-OH 3.31Å; F60-Y91 HydrophobicContact CB-CD1 4.34Å; F60-Y91 HydrophobicContact CB-CD2 3.5Å; F60-Y91 HydrophobicContact CB-CE2 3.97Å; F60-Y91 HydrophobicContact CB-CG 3.72Å; F60-Y91 HydrophobicContact CD1-CG 4.4Å; F60-Y91 AromaticContact CD2-CD2 3.66Å; F60-Y91 HydrophobicContact CD2-CD2 3.66Å; F60-Y91 AromaticContact CD2-CG 3.93Å; F60-Y91 HydrophobicContact CD2-CG 3.93Å; F60-Y91 AromaticContact CG-CD2 3.77Å; F60-Y91 HydrophobicContact CG-CD2 3.77Å; F60-Y91 AromaticContact CG-CG 3.77Å; F60-Y91 HydrophobicContact CG-CG 3.77Å; E87-Y91 HydrophobicContact CB-CE2 3.99Å; E87-Y91 WeakPolarHBondContact O-CD2 3.44Å; E87-Y91 PolarHBondContact O-N 3.04Å; T88-Y91 PolarHBondContact O-N 2.97Å; Y91-R93 PolarHBondContact O-N 3.42Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.91Å
92	K	98.3	Very high	97.9	Very high	81 Å²	81	58.6 Å²	58.6	35%	0.352	28%	0.277	S	S	.	.	H	α-helix	trans	-61.9	-39.5	176	-74.5	175.5	-179.7	170.6	0	113.1	F60 P67 T88 K90 Q96	F60-K92 HydrophobicContact CE2-CG 4.14Å; F60-K92 HydrophobicContact CZ-CG 3.96Å; P67-K92 WeakPolarHBondContact O-CE 3.42Å; P67-K92 PolarHBondContact O-NZ 3.34Å; T88-K92 HydrophobicContact CG2-CD 4.02Å; T88-K92 WeakPolarHBondContact O-CB 3.48Å; T88-K92 WeakPolarHBondContact O-CG 3.31Å; T88-K92 PolarHBondContact O-N 3.44Å; K90-K92 PolarHBondContact O-N 3.3Å; K92-Q96 PolarHBondContact O-N 3.49Å
93	R	98.3	Very high	97.9	Very high	164 Å²	164	56.9 Å²	56.9	62%	0.619	26%	0.263	S	S	*	.	H	α-helix	trans	-67.6	-43.5	174.1	-76.2	-177.2	-66.3	174.2	1.2	111.9	Q89 K90 Y91 A95 Q96 T97	Q89-R93 WeakPolarHBondContact O-CB 3.32Å; Q89-R93 VanDerWaalsContact O-CG 3.3Å; Q89-R93 WeakPolarHBondContact O-CG 3.43Å; Q89-R93 PolarHBondContact O-N 3.04Å; Q89-R93 PolarHBondContact O-NE 3.42Å; Q89-R93 VanDerWaalsContact O-NE 3.15Å; K90-R93 PolarHBondContact O-N 2.97Å; Y91-R93 PolarHBondContact O-N 3.42Å; R93-A95 PolarHBondContact O-N 3.35Å; R93-Q96 PolarHBondContact O-N 2.94Å; R93-T97 PolarHBondContact O-N 3.13Å; R93-T97 PolarHBondContact O-OG1 3.27Å; R93-T97 VanDerWaalsContact O-OG1 3.1Å
94	Q	98.3	Very high	97.9	Very high	25 Å²	25	60 Å²	60	12%	0.117	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-43.2	176.4	-173	70.1	58.6	0	0	111.8	Y33 F46 K90 Y91 Q96 T97 D98	Y33-Q94 HydrophobicContact CD2-CG 3.56Å; Y33-Q94 HydrophobicContact CE2-CB 4.33Å; Y33-Q94 HydrophobicContact CE2-CG 3.7Å; F46-Q94 HydrophobicContact CE2-CB 4.19Å; F46-Q94 HydrophobicContact CE2-CG 3.67Å; F46-Q94 HydrophobicContact CZ-CB 3.97Å; F46-Q94 HydrophobicContact CZ-CG 3.8Å; K90-Q94 PolarHBondContact O-N 3.29Å; Y91-Q94 PolarHBondContact O-N 3.48Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.38Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 3.05Å; Q94-D98 PolarHBondContact NE2-OD1 2.95Å; Q94-D98 PolarHBondContact O-N 3.42Å
95	A	98.3	Very high	97.9	Very high	18 Å²	18	58.5 Å²	58.5	15%	0.149	28%	0.275	C	S	.	.	H	α-helix	trans	-58.3	-38.4	177.2	0	0	0	0	0	112.6	F46 Y91 R93 R99	F46-A95 HydrophobicContact CB-CB 3.71Å; F46-A95 HydrophobicContact CD1-CB 3.85Å; F46-A95 HydrophobicContact CD2-CB 4.04Å; F46-A95 HydrophobicContact CG-CB 3.58Å; Y91-A95 WeakPolarHBondContact O-CB 3.46Å; Y91-A95 PolarHBondContact O-N 2.91Å; R93-A95 PolarHBondContact O-N 3.35Å; A95-R99 VanDerWaalsContact O-CB 3.28Å; A95-R99 WeakPolarHBondContact O-CB 3.34Å; A95-R99 PolarHBondContact O-N 2.97Å
96	Q	98	Very high	97.8	Very high	100 Å²	100	56.5 Å²	56.5	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-71.6	-36.8	173.3	-64.6	-56.3	-43.4	0	0	112.6	K92 R93 Q94 R99 V100	K92-Q96 PolarHBondContact O-N 3.49Å; R93-Q96 PolarHBondContact O-N 2.94Å; Q94-Q96 VanDerWaalsContact C-N 3.28Å; Q94-Q96 PolarHBondContact O-N 3.38Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.96Å
97	T	97.9	Very high	97.8	Very high	73 Å²	73	53.8 Å²	53.8	45%	0.448	26%	0.262	S	S	.	.	H	α-helix	trans	-60.6	-49	172.7	-57.1	0	0	0	0	110.9	R93 Q94 R99 V100 S101	R93-T97 PolarHBondContact O-N 3.13Å; R93-T97 PolarHBondContact O-OG1 3.27Å; R93-T97 VanDerWaalsContact O-OG1 3.1Å; Q94-T97 CarbonylContact O-C 3.57Å; Q94-T97 WeakPolarHBondContact O-CA 3.47Å; Q94-T97 WeakPolarHBondContact O-CB 3.31Å; Q94-T97 PolarHBondContact O-N 3.05Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.5Å; T97-V100 PolarHBondContact O-N 2.95Å; T97-S101 PolarHBondContact O-N 3.34Å; T97-S101 PolarHBondContact O-OG 3.39Å; T97-S101 VanDerWaalsContact O-OG 3.12Å
98	D	98.1	Very high	97.8	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-69	-34.1	-177.4	-66.3	-12.1	0	0	0	111.8	A35 F46 Q94 V100 S101 L102 I119	A35-D98 HydrophobicContact CB-CB 3.66Å; F46-D98 VanDerWaalsContact CE2-OD2 3.32Å; F46-D98 WeakPolarHBondContact CE2-OD2 3.39Å; Q94-D98 PolarHBondContact NE2-OD1 2.95Å; Q94-D98 PolarHBondContact O-N 3.42Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.02Å; D98-S101 PolarHBondContact O-N 2.84Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 WeakPolarHBondContact O-CD1 3.33Å; D98-L102 VanDerWaalsContact O-CG 3.26Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.46Å; D98-I119 HydrophobicContact CB-CG2 4.07Å
99	R	97.6	Very high	97.8	Very high	67 Å²	67	59 Å²	59	25%	0.253	28%	0.282	S	S	.	.	H	α-helix	trans	-56.6	-40.4	168.3	177	-167.5	-175.1	-150.4	0.4	112.5	E43 P44 A95 Q96 T97 R103	E43-R99 IonicContact OE1-CZ 3.83Å; E43-R99 VanDerWaalsContact OE1-CZ 3.28Å; E43-R99 IonicContact OE1-NE 3.92Å; E43-R99 PolarHBondContact OE1-NE 3.47Å; E43-R99 IonicContact OE1-NH2 3.68Å; E43-R99 PolarHBondContact OE1-NH2 3.02Å; E43-R99 WeakPolarHBondContact OE2-CD 3.43Å; E43-R99 IonicContact OE2-CZ 2.93Å; E43-R99 IonicContact OE2-NE 3.96Å; E43-R99 PolarHBondContact OE2-NE 3.01Å; E43-R99 IonicContact OE2-NH2 2.84Å; P44-R99 HydrophobicContact CG-CB 4.31Å; P44-R99 HydrophobicContact CG-CG 4.25Å; A95-R99 VanDerWaalsContact O-CB 3.28Å; A95-R99 WeakPolarHBondContact O-CB 3.34Å; A95-R99 PolarHBondContact O-N 2.97Å; Q96-R99 WeakPolarHBondContact O-CB 3.45Å; T97-R99 VanDerWaalsContact C-N 3.35Å; T97-R99 PolarHBondContact O-N 3.5Å; R99-R103 WeakPolarHBondContact O-CG 3.42Å
100	V	97.6	Very high	97.7	Very high	72 Å²	72	61.3 Å²	61.3	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-74.8	-42.3	175.6	173.6	0	0	0	0	110.8	Q96 T97 D98 L102 R103 N104	Q96-V100 WeakPolarHBondContact O-CG2 3.47Å; Q96-V100 PolarHBondContact O-N 2.96Å; T97-V100 PolarHBondContact O-N 2.95Å; D98-V100 VanDerWaalsContact C-N 3.29Å; D98-V100 PolarHBondContact O-N 3.02Å; V100-L102 PolarHBondContact O-N 2.89Å; V100-R103 PolarHBondContact O-N 2.95Å; V100-R103 VanDerWaalsContact O-N 3.17Å; V100-N104 PolarHBondContact O-N 3.42Å; V100-N104 PolarHBondContact O-ND2 3.4Å
101	S	98	Very high	97.7	Very high	32 Å²	32	61.1 Å²	61.1	22%	0.224	30%	0.297	C	S	.	.	H	α-helix	trans	-57.3	-45.9	175.7	-61.7	0	0	0	0	112.1	T97 D98 R103 N104 L105	T97-S101 PolarHBondContact O-N 3.34Å; T97-S101 PolarHBondContact O-OG 3.39Å; T97-S101 VanDerWaalsContact O-OG 3.12Å; D98-S101 PolarHBondContact O-N 2.84Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.89Å; S101-N104 PolarHBondContact O-N 2.93Å; S101-N104 VanDerWaalsContact O-N 3.12Å; S101-L105 WeakPolarHBondContact O-CB 3.38Å; S101-L105 WeakPolarHBondContact O-CD1 3.35Å; S101-L105 WeakPolarHBondContact O-CG 3.48Å; S101-L105 PolarHBondContact O-N 2.92Å
102	L	98.1	Very high	97.5	Very high	9 Å²	9	64.8 Å²	64.8	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-56.9	-38.3	176.6	-77.4	163.1	0	0	0	112.6	A35 P44 D98 V100 R106 H117 I119 Y142	A35-L102 HydrophobicContact CB-CD1 4Å; P44-L102 HydrophobicContact CB-CD1 3.71Å; P44-L102 HydrophobicContact CG-CD1 3.79Å; D98-L102 WeakPolarHBondContact O-CB 3.42Å; D98-L102 WeakPolarHBondContact O-CD1 3.33Å; D98-L102 VanDerWaalsContact O-CG 3.26Å; D98-L102 WeakPolarHBondContact O-CG 3.43Å; D98-L102 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 2.89Å; L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.47Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; L102-I119 HydrophobicContact CD1-CG2 4.18Å; L102-I119 HydrophobicContact CD2-CB 4.09Å; L102-I119 HydrophobicContact CD2-CG2 3.85Å; L102-I119 HydrophobicContact CG-CB 4.44Å; L102-I119 HydrophobicContact CG-CG2 3.75Å; L102-Y142 HydrophobicContact CD2-CE2 4.14Å
103	R	96.4	Very high	97.2	Very high	123 Å²	123	67.1 Å²	67.1	46%	0.464	34%	0.335	S	S	.	.	H	α-helix	trans	-69.9	-43.2	175.3	-65	174.3	-171.2	178.9	1.3	111.8	R99 V100 S101 G107	R99-R103 WeakPolarHBondContact O-CG 3.42Å; V100-R103 PolarHBondContact O-N 2.95Å; V100-R103 VanDerWaalsContact O-N 3.17Å; S101-R103 VanDerWaalsContact C-N 3.28Å; S101-R103 PolarHBondContact O-N 2.89Å; R103-G107 PolarHBondContact O-N 2.9Å; R103-G107 VanDerWaalsContact O-N 3.14Å
104	N	97.5	Very high	96.9	Very high	73 Å²	73	63.4 Å²	63.4	39%	0.39	34%	0.339	S	S	.	.	H	α-helix	trans	-64.5	-47.5	179.3	-69.2	-21.8	0	0	0	111.5	V100 S101 G107 Y108	V100-N104 PolarHBondContact O-N 3.42Å; V100-N104 PolarHBondContact O-ND2 3.4Å; S101-N104 PolarHBondContact O-N 2.93Å; S101-N104 VanDerWaalsContact O-N 3.12Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.38Å; N104-G107 VanDerWaalsContact O-N 3.13Å; N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 2.89Å
105	L	98	Very high	96.7	Very high	5 Å²	5	70 Å²	70	3%	0.026	36%	0.363	C	S	.	.	H	α-helix	trans	-60.1	-51.1	179.1	-70.1	163.9	0	0	0	111.1	S101 G107 Y108 Y109 I119 Y142 Y147	S101-L105 WeakPolarHBondContact O-CB 3.38Å; S101-L105 WeakPolarHBondContact O-CD1 3.35Å; S101-L105 WeakPolarHBondContact O-CG 3.48Å; S101-L105 PolarHBondContact O-N 2.92Å; L105-G107 PolarHBondContact O-N 3.29Å; L105-G107 VanDerWaalsContact O-N 3.16Å; L105-Y108 PolarHBondContact O-N 3.34Å; L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.37Å; L105-Y109 PolarHBondContact O-N 2.91Å; L105-I119 HydrophobicContact CD1-CB 4.45Å; L105-I119 HydrophobicContact CD1-CD1 3.76Å; L105-I119 HydrophobicContact CD1-CG1 4.24Å; L105-Y142 HydrophobicContact CB-CD1 4.31Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 3.91Å; L105-Y142 HydrophobicContact CB-CE2 3.79Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.43Å; L105-Y147 HydrophobicContact CD2-CD1 4.3Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å
106	R	96.9	Very high	96.6	Very high	63 Å²	63	72 Å²	72	24%	0.238	38%	0.376	C	S	.	.	H	α-helix	trans	-52.5	-38.8	174.1	-174.3	-167.3	65.4	170.2	11.4	112	L102 N110 Q111 E113 Y142	L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.47Å; R106-N110 PolarHBondContact O-N 2.92Å; R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 3.28Å; R106-E113 IonicContact CZ-OE1 3.58Å; R106-E113 VanDerWaalsContact NH1-CG 3.31Å; R106-E113 IonicContact NH1-OE1 2.77Å; R106-E113 PolarHBondContact NH1-OE1 3.19Å; R106-E113 IonicContact NH2-OE1 3.54Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; R106-Y142 PolarHBondContact N-OH 3.35Å
107	G	97.1	Very high	96.6	Very high	42 Å²	42	67.3 Å²	67.3	43%	0.433	35%	0.354	S	S	.	.	H	α-helix	trans	-66.9	-49	173.4	0	0	0	0	0	113.5	R103 N104 L105 Y109 N110	R103-G107 PolarHBondContact O-N 2.9Å; R103-G107 VanDerWaalsContact O-N 3.14Å; N104-G107 CarbonylContact O-C 3.6Å; N104-G107 WeakPolarHBondContact O-CA 3.47Å; N104-G107 PolarHBondContact O-N 3.38Å; N104-G107 VanDerWaalsContact O-N 3.13Å; L105-G107 PolarHBondContact O-N 3.29Å; L105-G107 VanDerWaalsContact O-N 3.16Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.93Å; G107-N110 PolarHBondContact O-N 3.44Å; G107-N110 VanDerWaalsContact O-N 3.09Å
108	Y	97.9	Very high	96.6	Very high	56 Å²	56	66.6 Å²	66.6	22%	0.22	35%	0.347	C	S	.	.	H	α-helix	trans	-60.2	-35.6	179.3	-59.8	-17.1	0	0	0	112.6	N104 L105 A163 I166 K170	N104-Y108 WeakPolarHBondContact O-CD1 3.44Å; N104-Y108 VanDerWaalsContact O-CG 3.3Å; N104-Y108 PolarHBondContact O-N 2.89Å; L105-Y108 PolarHBondContact O-N 3.34Å; Y108-A163 HydrophobicContact CD2-CB 4.48Å; Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.12Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; Y108-K170 PolarHBondContact OH-NZ 3.38Å
109	Y	97.8	Very high	96.7	Very high	67 Å²	67	66.8 Å²	66.8	26%	0.263	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	3.1	177.7	-68.1	-69.4	0	0	0	114.3	L105 G107 Q111 Y142 Y147 D161 A163	L105-Y109 HydrophobicContact CD2-CE2 4.22Å; L105-Y109 VanDerWaalsContact O-CD2 3.23Å; L105-Y109 WeakPolarHBondContact O-CD2 3.37Å; L105-Y109 PolarHBondContact O-N 2.91Å; G107-Y109 VanDerWaalsContact C-N 3.26Å; G107-Y109 PolarHBondContact O-N 2.93Å; Y109-Q111 VanDerWaalsContact C-N 3.27Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.1Å; Y109-D161 VanDerWaalsContact OH-CG 3.31Å; Y109-D161 PolarHBondContact OH-OD1 3.46Å; Y109-D161 PolarHBondContact OH-OD2 2.89Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.96Å
110	N	96.7	Very high	96.7	Very high	152 Å²	152	67.4 Å²	67.4	81%	0.813	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	39.6	-177.6	-57.1	-70.5	0	0	0	113.8	R106 G107	R106-N110 PolarHBondContact O-N 2.92Å; G107-N110 PolarHBondContact O-N 3.44Å; G107-N110 VanDerWaalsContact O-N 3.09Å
111	Q	96.7	Very high	96.8	Very high	58 Å²	58	65 Å²	65	27%	0.271	34%	0.337	S	S	.	.			trans	-89.4	151.9	-174.4	-69.8	167.5	-31.5	0	0	112.8	R106 Y109 H117 Y142	R106-Q111 HydrophobicContact CG-CB 3.82Å; R106-Q111 WeakPolarHBondContact CG-O 3.47Å; R106-Q111 PolarHBondContact O-N 3.28Å; Y109-Q111 VanDerWaalsContact C-N 3.27Å; Y109-Q111 PolarHBondContact O-N 3.19Å; Q111-H117 PolarHBondContact OE1-CE1 3.44Å; Q111-H117 PolarHBondContact OE1-ND1 3.29Å; Q111-Y142 PolarHBondContact OE1-OH 2.82Å
112	S	94.4	Very high	96.8	Very high	77 Å²	77	64.7 Å²	64.7	54%	0.538	33%	0.332	S	S	.	.			trans	-67.2	142.3	-179.9	177.3	0	0	0	0	112.8	A114 R115	S112-A114 PolarHBondContact O-N 3.27Å; S112-A114 PolarHBondContact OG-N 3.34Å; S112-R115 PolarHBondContact O-N 3.2Å
113	E	91.7	Very high	96.8	Very high	131 Å²	131	65.2 Å²	65.2	61%	0.612	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-21.3	174.6	-53.7	-147.8	112.7	0	0	114.1	P39 R106 R115	P39-E113 WeakPolarHBondContact CB-O 3.48Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 3.58Å; R106-E113 VanDerWaalsContact NH1-CG 3.31Å; R106-E113 IonicContact NH1-OE1 2.77Å; R106-E113 PolarHBondContact NH1-OE1 3.19Å; R106-E113 IonicContact NH2-OE1 3.54Å; R106-E113 PolarHBondContact NH2-OE1 3.39Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.44Å
114	A	92.3	Very high	96.9	Very high	85 Å²	85	59.3 Å²	59.3	70%	0.702	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.3	-176.5	0	0	0	0	0	113.9	S112	S112-A114 PolarHBondContact O-N 3.27Å; S112-A114 PolarHBondContact OG-N 3.34Å
115	R	93.3	Very high	97	Very high	163 Å²	163	55.9 Å²	55.9	62%	0.615	29%	0.293	S	S	*	.	S	Bend	trans	-93.1	139.4	-176.6	-179.5	168.1	177.7	160.2	1.4	111.5	P39 S112 E113 H117	P39-R115 VanDerWaalsContact CG-O 3.3Å; P39-R115 WeakPolarHBondContact CG-O 3.13Å; S112-R115 PolarHBondContact O-N 3.2Å; E113-R115 VanDerWaalsContact C-N 3.31Å; E113-R115 PolarHBondContact O-N 3.44Å; R115-H117 PolarHBondContact O-CD2 2.65Å
116	S	97.1	Very high	97	Very high	60 Å²	60	57 Å²	57	42%	0.42	30%	0.299	S	S	.	.			trans	-76.2	135.3	168.2	-179.7	0	0	0	0	109.8	S37	S37-S116 WeakPolarHBondContact O-CB 3.21Å; S37-S116 PolarHBondContact O-OG 3.47Å
117	H	98.1	Very high	97	Very high	2 Å²	2	54 Å²	54	1%	0.009	29%	0.288	C	S	.	.			trans	-130.8	150	-178.4	-66.6	-78.8	0	0	0	110.1	S37 L102 Q111 R115 Y142 D143	S37-H117 PolarHBondContact N-O 3.33Å; S37-H117 PolarHBondContact OG-N 3.27Å; S37-H117 PolarHBondContact OG-O 3.42Å; L102-H117 HydrophobicContact CD2-CB 4.28Å; Q111-H117 PolarHBondContact OE1-CE1 3.44Å; Q111-H117 PolarHBondContact OE1-ND1 3.29Å; R115-H117 PolarHBondContact O-CD2 2.65Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.1Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.89Å; H117-D143 WeakPolarHBondContact CA-OD1 3.33Å; H117-D143 WeakPolarHBondContact CB-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 2.68Å; H117-D143 IonicContact ND1-OD1 3.28Å; H117-D143 PolarHBondContact ND1-OD1 3.09Å; H117-D143 IonicContact ND1-OD2 3.36Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å
118	I	98.4	Very high	96.9	Very high	59 Å²	59	52.2 Å²	52.2	30%	0.303	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.7	-175.9	-51.3	-177.9	0	0	0	109.1	T34 A35 V36 Q120 Y142 D143	T34-I118 HydrophobicContact CG2-CG2 3.89Å; A35-I118 WeakPolarHBondContact O-CA 3.23Å; V36-I118 HydrophobicContact CG1-CG1 4.24Å; V36-I118 HydrophobicContact CG2-CD1 4.4Å; V36-I118 HydrophobicContact CG2-CG1 4.16Å; V36-I118 HydrophobicContact CG2-CG2 4.22Å; I118-Q120 HydrophobicContact CG2-CG 3.91Å; I118-Y142 CarbonylContact O-C 3.37Å; I118-Y142 WeakPolarHBondContact O-CA 2.99Å; I118-Y142 WeakPolarHBondContact O-CD2 3.45Å; I118-D143 PolarHBondContact N-OD1 3.17Å; I118-D143 PolarHBondContact O-N 2.89Å
119	I	98.5	Very high	96.6	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.036	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.6	162.1	-171	-179.4	0	0	0	108.6	A35 D98 L102 L105 Y140 A141 Y142	A35-I119 HydrophobicContact CB-CG2 3.73Å; A35-I119 PolarHBondContact N-O 3.09Å; A35-I119 PolarHBondContact O-N 3.29Å; D98-I119 HydrophobicContact CB-CG2 4.07Å; L102-I119 HydrophobicContact CD1-CG2 4.18Å; L102-I119 HydrophobicContact CD2-CB 4.09Å; L102-I119 HydrophobicContact CD2-CG2 3.85Å; L102-I119 HydrophobicContact CG-CB 4.44Å; L102-I119 HydrophobicContact CG-CG2 3.75Å; L105-I119 HydrophobicContact CD1-CB 4.45Å; L105-I119 HydrophobicContact CD1-CD1 3.76Å; L105-I119 HydrophobicContact CD1-CG1 4.24Å; I119-Y140 HydrophobicContact CD1-CD1 4.05Å; I119-Y140 HydrophobicContact CG1-CD1 4.41Å; I119-A141 WeakPolarHBondContact CA-O 3.39Å; I119-Y142 HydrophobicContact CB-CD2 4.4Å
120	Q	98.8	Very high	96.3	Very high	80 Å²	80	55.8 Å²	55.8	37%	0.374	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.4	175.5	-63	173.8	-88.3	0	0	109.2	Y33 T34 I118 Y140 A141	Y33-Q120 CarbonylContact O-C 3.49Å; Y33-Q120 VanDerWaalsContact O-CA 3.29Å; Y33-Q120 WeakPolarHBondContact O-CA 3.37Å; T34-Q120 HydrophobicContact CG2-CG 4.13Å; I118-Q120 HydrophobicContact CG2-CG 3.91Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.41Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.48Å; Q120-A141 PolarHBondContact O-N 3.48Å
121	R	98.6	Very high	96	Very high	21 Å²	21	49.2 Å²	49.2	8%	0.079	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	132.5	173	-175	-167.5	-175	-174.3	-0	109.4	F32 Y33 Y123 D138 Q139 Y140	F32-R121 WeakPolarHBondContact CA-O 3.45Å; Y33-R121 PolarHBondContact N-O 3.17Å; Y33-R121 PolarHBondContact O-N 3.19Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; R121-D138 IonicContact CZ-OD1 3.77Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 2.84Å; R121-D138 IonicContact NE-OD1 3.96Å; R121-D138 PolarHBondContact NE-OD1 2.82Å; R121-D138 IonicContact NE-OD2 3.78Å; R121-D138 IonicContact NH2-OD1 2.9Å; R121-D138 PolarHBondContact NH2-OD1 3.07Å; R121-D138 IonicContact NH2-OD2 3.27Å; R121-D138 PolarHBondContact NH2-OD2 3.21Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; R121-Y140 HydrophobicContact CB-CD1 3.86Å; R121-Y140 HydrophobicContact CB-CE1 3.85Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.41Å; R121-Y140 WeakPolarHBondContact CD-OH 3.49Å; R121-Y140 HydrophobicContact CG-CD1 3.97Å; R121-Y140 HydrophobicContact CG-CD2 4.15Å; R121-Y140 HydrophobicContact CG-CE1 3.7Å; R121-Y140 HydrophobicContact CG-CE2 3.85Å; R121-Y140 HydrophobicContact CG-CG 4.21Å; R121-Y140 VanDerWaalsContact CZ-OH 3.28Å; R121-Y140 PolarHBondContact NE-OH 2.63Å; R121-Y140 VanDerWaalsContact NE-OH 3.12Å
122	M	98.8	Very high	95.9	Very high	26 Å²	26	54.6 Å²	54.6	13%	0.128	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.2	164.8	-171.4	-77.1	-70.9	0	0	108.3	Y31 F32 Y137 Q139	Y31-M122 WeakPolarHBondContact O-CA 3.44Å; F32-M122 HydrophobicContact CD1-CB 4.04Å; F32-M122 HydrophobicContact CD1-CG 3.61Å; F32-M122 HydrophobicContact CE1-CB 4.19Å; F32-M122 HydrophobicContact CE1-CG 3.36Å; F32-M122 HydrophobicContact CG-CG 4.44Å; F32-M122 HydrophobicContact CZ-CG 4.01Å; M122-Y137 HydrophobicContact CE-CD1 3.87Å; M122-Y137 HydrophobicContact CE-CG 3.99Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 VanDerWaalsContact CE-OE1 3.27Å; M122-Q139 PolarHBondContact N-O 2.91Å; M122-Q139 PolarHBondContact O-N 2.83Å
123	Y	98.8	Very high	96.1	Very high	19 Å²	19	53.4 Å²	53.4	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	155.1	171.9	75.7	-85.4	0	0	0	110.5	Y31 Y33 R121 Y137 Y183	Y31-Y123 VanDerWaalsContact CB-CE1 3.46Å; Y31-Y123 HydrophobicContact CD2-CD2 4.5Å; Y31-Y123 HydrophobicContact CD2-CE1 4.49Å; Y31-Y123 AromaticContact CD2-CE2 3.71Å; Y31-Y123 HydrophobicContact CD2-CE2 3.71Å; Y31-Y123 AromaticContact CD2-CZ 3.71Å; Y31-Y123 HydrophobicContact CE2-CE2 4.41Å; Y31-Y123 HydrophobicContact CG-CE1 4.14Å; Y31-Y123 HydrophobicContact CG-CE2 4.17Å; Y31-Y123 AromaticContact CG-CZ 3.69Å; Y31-Y123 PolarHBondContact N-O 3.48Å; Y31-Y123 PolarHBondContact O-N 2.9Å; Y31-Y123 VanDerWaalsContact O-N 3.11Å; Y33-Y123 HydrophobicContact CD2-CE1 4.06Å; Y33-Y123 HydrophobicContact CE1-CE1 4.2Å; Y33-Y123 HydrophobicContact CE2-CD1 4.42Å; Y33-Y123 AromaticContact CE2-CE1 3.45Å; Y33-Y123 HydrophobicContact CE2-CE1 3.45Å; Y33-Y123 VanDerWaalsContact CE2-CE1 3.45Å; Y33-Y123 AromaticContact CZ-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CZ 3.99Å; Y33-Y123 PolarHBondContact OH-OH 2.8Å; R121-Y123 HydrophobicContact CG-CD1 4.28Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 VanDerWaalsContact CB-O 3.24Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.6Å; Y123-Y183 HydrophobicContact CE2-CE1 3.6Å; Y123-Y183 AromaticContact CE2-CZ 3.92Å
124	G	98.6	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164	-178.3	-173.5	0	0	0	0	0	113.8	M29 Y137 L184	M29-G124 CarbonylContact O-C 3.51Å; M29-G124 WeakPolarHBondContact O-CA 3.44Å; G124-Y137 PolarHBondContact N-O 3.47Å; G124-Y137 PolarHBondContact O-N 3.29Å; G124-L184 WeakPolarHBondContact O-CD2 3.49Å
125	C	98.6	Very high	96.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.6	-178.3	52.4	0	0	0	0	110.7	S28 M29 L133 R135 C188	S28-C125 CarbonylContact C-O 3.6Å; S28-C125 WeakPolarHBondContact CA-O 3.48Å; M29-C125 PolarHBondContact N-O 3.13Å; M29-C125 PolarHBondContact O-N 3.01Å; C125-L133 HydrophobicContact CB-CD1 3.57Å; C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.16Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.47Å; C125-C188 WeakPolarHBondContact SG-CB 3.19Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.74Å
126	D	98.3	Very high	96.9	Very high	28 Å²	28	45.7 Å²	45.7	15%	0.15	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	139.3	171.4	-57.7	-7.9	0	0	0	108.5	H27 S28 R30 L134 R135 Y137	H27-D126 CarbonylContact O-C 3.59Å; H27-D126 WeakPolarHBondContact O-CA 3.49Å; S28-D126 WeakPolarHBondContact CB-OD1 3.34Å; R30-D126 IonicContact CZ-OD1 3.23Å; R30-D126 VanDerWaalsContact CZ-OD1 3.26Å; R30-D126 IonicContact CZ-OD2 3.39Å; R30-D126 IonicContact NE-OD1 3.35Å; R30-D126 PolarHBondContact NE-OD1 2.95Å; R30-D126 IonicContact NH2-OD1 3.21Å; R30-D126 PolarHBondContact NH2-OD1 3.26Å; R30-D126 IonicContact NH2-OD2 3.26Å; R30-D126 PolarHBondContact NH2-OD2 3.19Å; D126-L134 PolarHBondContact O-N 2.78Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.24Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 2.64Å
127	V	97.5	Very high	96.9	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	147.7	179.6	-60.4	0	0	0	0	111.6	S26 H27 R132 V189 L192	S26-V127 CarbonylContact C-O 3.58Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.32Å; H27-V127 HydrophobicContact CB-CG2 4.1Å; H27-V127 PolarHBondContact N-O 3.23Å; H27-V127 PolarHBondContact O-N 3.08Å; V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.21Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.05Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; V127-L192 HydrophobicContact CB-CD2 4.4Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.2Å
128	G	94.8	Very high	96.9	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	22%	0.22	C	C	.	.			trans	-83.6	-176.8	175.4	0	0	0	0	0	113.1	G25 D130 G131 R132	G25-G128 CarbonylContact O-C 3.56Å; G128-D130 PolarHBondContact O-N 3.43Å; G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.39Å; G128-R132 PolarHBondContact N-O 3.43Å
129	P	91.3	Very high	97	Very high	108 Å²	108	45 Å²	45	70%	0.701	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.3	179.2	-22.2	31.3	0	0	0	114	G25 G131	G25-P129 WeakPolarHBondContact O-CA 3.15Å; G25-P129 WeakPolarHBondContact O-CD 3.5Å; G25-P129 WeakPolarHBondContact O-CG 3.47Å; P129-G131 PolarHBondContact O-N 3.26Å
130	D	90.7	Very high	97	Very high	90 Å²	90	45.4 Å²	45.4	48%	0.481	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	3.6	172.3	74.2	-11.3	0	0	0	113.2	G128 R132	G128-D130 PolarHBondContact O-N 3.43Å; D130-R132 PolarHBondContact O-N 2.88Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.34Å; D130-R132 WeakPolarHBondContact OD1-CG 3.33Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.31Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 3.65Å; D130-R132 IonicContact OD2-NE 2.74Å; D130-R132 PolarHBondContact OD2-NE 3.38Å; D130-R132 IonicContact OD2-NH1 2.84Å; D130-R132 PolarHBondContact OD2-NH1 2.84Å
131	G	91.2	Very high	97	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	21%	0.21	C	C	.	.			trans	69.1	7.5	-177.5	0	0	0	0	0	114.6	G128 P129 V189 R193	G128-G131 VanDerWaalsContact O-CA 3.29Å; G128-G131 WeakPolarHBondContact O-CA 3.37Å; G128-G131 PolarHBondContact O-N 3.39Å; P129-G131 PolarHBondContact O-N 3.26Å; G131-V189 WeakPolarHBondContact O-CG1 3.43Å; G131-R193 VanDerWaalsContact C-NH2 3.32Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 2.75Å; G131-R193 PolarHBondContact O-NH2 2.76Å
132	R	95.3	Very high	97	Very high	172 Å²	172	42 Å²	42	65%	0.649	21%	0.209	S	C	*	.			trans	-80.3	151.6	178.8	-63.9	-175.4	-172.2	149.2	-4.8	111.3	V127 G128 D130 L134	V127-R132 CarbonylContact C-O 3.57Å; V127-R132 WeakPolarHBondContact CA-O 3.21Å; V127-R132 WeakPolarHBondContact CB-O 3.3Å; G128-R132 PolarHBondContact N-O 3.43Å; D130-R132 PolarHBondContact O-N 2.88Å; D130-R132 VanDerWaalsContact OD1-CB 3.29Å; D130-R132 WeakPolarHBondContact OD1-CB 3.34Å; D130-R132 WeakPolarHBondContact OD1-CG 3.33Å; D130-R132 PolarHBondContact OD1-N 3.15Å; D130-R132 WeakPolarHBondContact OD2-CD 3.31Å; D130-R132 VanDerWaalsContact OD2-CG 3.31Å; D130-R132 WeakPolarHBondContact OD2-CG 3.42Å; D130-R132 IonicContact OD2-CZ 3.65Å; D130-R132 IonicContact OD2-NE 2.74Å; D130-R132 PolarHBondContact OD2-NE 3.38Å; D130-R132 IonicContact OD2-NH1 2.84Å; D130-R132 PolarHBondContact OD2-NH1 2.84Å; R132-L134 PolarHBondContact O-N 2.95Å
133	L	97.6	Very high	96.9	Very high	52 Å²	52	43.2 Å²	43.2	27%	0.272	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	123.1	175	-173.6	73.5	0	0	0	110.3	C125 R135 L154 E185 V189	C125-L133 HydrophobicContact CB-CD1 3.57Å; L133-R135 VanDerWaalsContact CD1-O 3.32Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; L133-L154 HydrophobicContact CD2-CD1 4.08Å; L133-E185 HydrophobicContact CD2-CB 4.5Å; L133-E185 HydrophobicContact CD2-CG 3.81Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.9Å
134	L	97.4	Very high	96.9	Very high	115 Å²	115	45.1 Å²	45.1	60%	0.602	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	-44.8	166.4	-63	177.3	0	0	0	110.5	D126 R132	D126-L134 PolarHBondContact O-N 2.78Å; R132-L134 PolarHBondContact O-N 2.95Å
135	R	97.5	Very high	96.9	Very high	96 Å²	96	52.8 Å²	52.8	36%	0.362	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	142.5	-174.7	-171	162.9	171.4	134.9	11.3	111.9	C125 D126 L133 Y137 E152	C125-R135 CarbonylContact C-O 3.6Å; C125-R135 WeakPolarHBondContact CA-O 3.16Å; D126-R135 HydrophobicContact CB-CB 4.49Å; D126-R135 PolarHBondContact N-O 3.17Å; D126-R135 PolarHBondContact O-N 3.24Å; L133-R135 VanDerWaalsContact CD1-O 3.32Å; L133-R135 WeakPolarHBondContact CD1-O 3.49Å; R135-Y137 HydrophobicContact CB-CE2 4.09Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.25Å; R135-Y137 HydrophobicContact CG-CE2 3.72Å; R135-Y137 VanDerWaalsContact NE-CE1 3.33Å; R135-Y137 PolarHBondContact NE-OH 3.02Å; R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.04Å; R135-E152 IonicContact NH1-OE1 3.3Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 3.13Å; R135-E152 IonicContact NH2-OE1 2.72Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å
136	G	98.3	Very high	96.9	Very high	6 Å²	6	58.4 Å²	58.4	6%	0.062	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	152.4	170.6	0	0	0	0	0	111.2
137	Y	98.4	Very high	96.9	Very high	38 Å²	38	57.6 Å²	57.6	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.4	-178.7	-55.9	-99	0	0	0	110.2	R30 M122 Y123 G124 D126 R135	R30-Y137 VanDerWaalsContact NH2-CZ 3.33Å; R30-Y137 PolarHBondContact NH2-OH 2.89Å; M122-Y137 HydrophobicContact CE-CD1 3.87Å; M122-Y137 HydrophobicContact CE-CG 3.99Å; Y123-Y137 WeakPolarHBondContact CA-O 3.45Å; Y123-Y137 VanDerWaalsContact CB-O 3.24Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; G124-Y137 PolarHBondContact N-O 3.47Å; G124-Y137 PolarHBondContact O-N 3.29Å; D126-Y137 VanDerWaalsContact OD2-CE2 3.32Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.4Å; D126-Y137 PolarHBondContact OD2-OH 2.64Å; R135-Y137 HydrophobicContact CB-CE2 4.09Å; R135-Y137 VanDerWaalsContact CD-CZ 3.5Å; R135-Y137 VanDerWaalsContact CD-OH 3.23Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CD2 4.38Å; R135-Y137 HydrophobicContact CG-CE1 4.25Å; R135-Y137 HydrophobicContact CG-CE2 3.72Å; R135-Y137 VanDerWaalsContact NE-CE1 3.33Å; R135-Y137 PolarHBondContact NE-OH 3.02Å
138	D	98.6	Very high	96.9	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.011	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	101.6	159.5	-168.5	10.7	0	0	0	108.5	R121 Y140 L150 R180	R121-D138 IonicContact CZ-OD1 3.77Å; R121-D138 VanDerWaalsContact CZ-OD1 3.3Å; R121-D138 IonicContact CZ-OD2 2.84Å; R121-D138 IonicContact NE-OD1 3.96Å; R121-D138 PolarHBondContact NE-OD1 2.82Å; R121-D138 IonicContact NE-OD2 3.78Å; R121-D138 IonicContact NH2-OD1 2.9Å; R121-D138 PolarHBondContact NH2-OD1 3.07Å; R121-D138 IonicContact NH2-OD2 3.27Å; R121-D138 PolarHBondContact NH2-OD2 3.21Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.35Å; D138-L150 HydrophobicContact CB-CB 4.1Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 3.42Å; D138-R180 WeakPolarHBondContact OD2-CD 3.44Å; D138-R180 WeakPolarHBondContact OD2-CG 3.34Å; D138-R180 IonicContact OD2-NE 2.78Å; D138-R180 PolarHBondContact OD2-NE 2.87Å
139	Q	98.6	Very high	97.1	Very high	67 Å²	67	59 Å²	59	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.1	-174.4	65.7	-172.7	84.2	0	0	111.9	R121 M122 I148 A149	R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 VanDerWaalsContact CA-O 3.32Å; R121-Q139 WeakPolarHBondContact CA-O 3.36Å; M122-Q139 HydrophobicContact CB-CG 4.12Å; M122-Q139 HydrophobicContact CE-CG 4.05Å; M122-Q139 VanDerWaalsContact CE-OE1 3.27Å; M122-Q139 PolarHBondContact N-O 2.91Å; M122-Q139 PolarHBondContact O-N 2.83Å; Q139-I148 WeakPolarHBondContact CA-O 3.42Å; Q139-A149 HydrophobicContact CB-CB 3.82Å
140	Y	98.8	Very high	97.5	Very high	15 Å²	15	54.5 Å²	54.5	6%	0.059	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142	-177.3	-69.1	-106.3	0	0	0	110.5	I119 Q120 R121 D138 Y147 I148 W171	I119-Y140 HydrophobicContact CD1-CD1 4.05Å; I119-Y140 HydrophobicContact CG1-CD1 4.41Å; Q120-Y140 CarbonylContact O-C 3.58Å; Q120-Y140 VanDerWaalsContact O-CA 3.25Å; Q120-Y140 WeakPolarHBondContact O-CA 3.41Å; R121-Y140 HydrophobicContact CB-CD1 3.86Å; R121-Y140 HydrophobicContact CB-CE1 3.85Å; R121-Y140 HydrophobicContact CB-CG 4.38Å; R121-Y140 VanDerWaalsContact CD-CZ 3.41Å; R121-Y140 WeakPolarHBondContact CD-OH 3.49Å; R121-Y140 HydrophobicContact CG-CD1 3.97Å; R121-Y140 HydrophobicContact CG-CD2 4.15Å; R121-Y140 HydrophobicContact CG-CE1 3.7Å; R121-Y140 HydrophobicContact CG-CE2 3.85Å; R121-Y140 HydrophobicContact CG-CG 4.21Å; R121-Y140 VanDerWaalsContact CZ-OH 3.28Å; R121-Y140 PolarHBondContact NE-OH 2.63Å; R121-Y140 VanDerWaalsContact NE-OH 3.12Å; D138-Y140 WeakPolarHBondContact OD1-CE2 3.35Å; Y140-Y147 WeakPolarHBondContact O-CB 3.17Å; Y140-Y147 PolarHBondContact O-N 3.46Å; Y140-I148 HydrophobicContact CD2-CG2 4.28Å; Y140-I148 PolarHBondContact N-O 3.33Å; Y140-I148 PolarHBondContact O-N 3.04Å; Y140-W171 AromaticContact CD2-CH2 3.81Å; Y140-W171 HydrophobicContact CD2-CH2 3.81Å; Y140-W171 HydrophobicContact CD2-CZ3 4.27Å; Y140-W171 AromaticContact CE2-CH2 3.47Å; Y140-W171 HydrophobicContact CE2-CH2 3.47Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.47Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 HydrophobicContact CE2-CZ3 4.07Å; Y140-W171 HydrophobicContact CG-CH2 4.49Å; Y140-W171 AromaticContact CZ-CH2 3.85Å
141	A	98.8	Very high	97.9	Very high	16 Å²	16	52.2 Å²	52.2	13%	0.132	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.3	171.9	0	0	0	0	0	110.5	I119 Q120 K145	I119-A141 WeakPolarHBondContact CA-O 3.39Å; Q120-A141 HydrophobicContact CB-CB 4.4Å; Q120-A141 PolarHBondContact N-O 3.48Å; Q120-A141 PolarHBondContact O-N 3.48Å; A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å
142	Y	98.8	Very high	98.2	Very high	12 Å²	12	58 Å²	58	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.9	176.9	-173.7	-121.5	0	0	0	110.4	L102 L105 R106 Y109 Q111 H117 I118 I119 G144 K145	L102-Y142 HydrophobicContact CD2-CE2 4.14Å; L105-Y142 HydrophobicContact CB-CD1 4.31Å; L105-Y142 HydrophobicContact CB-CD2 4.18Å; L105-Y142 HydrophobicContact CB-CE1 3.91Å; L105-Y142 HydrophobicContact CB-CE2 3.79Å; L105-Y142 HydrophobicContact CB-CG 4.42Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.88Å; L105-Y142 HydrophobicContact CD1-CG 4.06Å; L105-Y142 HydrophobicContact CD2-CG 4.48Å; L105-Y142 HydrophobicContact CG-CD2 4.38Å; L105-Y142 HydrophobicContact CG-CE2 4.43Å; R106-Y142 PolarHBondContact N-OH 3.35Å; Y109-Y142 AromaticContact CD2-CD1 3.71Å; Y109-Y142 HydrophobicContact CD2-CD1 3.71Å; Y109-Y142 AromaticContact CD2-CE1 3.45Å; Y109-Y142 HydrophobicContact CD2-CE1 3.45Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.45Å; Y109-Y142 AromaticContact CE2-CD1 3.43Å; Y109-Y142 HydrophobicContact CE2-CD1 3.43Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.43Å; Y109-Y142 AromaticContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CE1 3.72Å; Y109-Y142 HydrophobicContact CE2-CG 4.48Å; Y109-Y142 HydrophobicContact CG-CE1 4.43Å; Q111-Y142 PolarHBondContact OE1-OH 2.82Å; H117-Y142 HydrophobicContact CB-CE2 3.91Å; H117-Y142 WeakPolarHBondContact CB-OH 3.1Å; H117-Y142 AromaticContact ND1-CZ 3.96Å; H117-Y142 PolarHBondContact ND1-OH 2.89Å; I118-Y142 CarbonylContact O-C 3.37Å; I118-Y142 WeakPolarHBondContact O-CA 2.99Å; I118-Y142 WeakPolarHBondContact O-CD2 3.45Å; I119-Y142 HydrophobicContact CB-CD2 4.4Å; Y142-G144 PolarHBondContact O-N 3.42Å; Y142-G144 VanDerWaalsContact O-N 3.13Å; Y142-K145 PolarHBondContact N-O 3.34Å; Y142-K145 PolarHBondContact O-N 3.32Å
143	D	98.1	Very high	98.3	Very high	52 Å²	52	53.5 Å²	53.5	28%	0.278	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	38.8	-173.8	-69.5	-15.6	0	0	0	113.5	H117 I118	H117-D143 WeakPolarHBondContact CA-OD1 3.33Å; H117-D143 WeakPolarHBondContact CB-OD1 3.4Å; H117-D143 IonicContact CE1-OD2 3.64Å; H117-D143 IonicContact CG-OD1 2.65Å; H117-D143 IonicContact CG-OD2 2.68Å; H117-D143 IonicContact ND1-OD1 3.28Å; H117-D143 PolarHBondContact ND1-OD1 3.09Å; H117-D143 IonicContact ND1-OD2 3.36Å; H117-D143 PolarHBondContact ND1-OD2 2.99Å; I118-D143 PolarHBondContact N-OD1 3.17Å; I118-D143 PolarHBondContact O-N 2.89Å
144	G	97.1	Very high	98.3	Very high	60 Å²	60	51.4 Å²	51.4	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.1	11.4	178.5	0	0	0	0	0	115.6	Y142	Y142-G144 PolarHBondContact O-N 3.42Å; Y142-G144 VanDerWaalsContact O-N 3.13Å
145	K	98.4	Very high	98.3	Very high	161 Å²	161	53.7 Å²	53.7	70%	0.7	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.9	146.8	175.6	-60.5	-176.7	-179.1	-176	0	111	A141 Y142 Y147	A141-K145 CarbonylContact C-O 3.54Å; A141-K145 WeakPolarHBondContact CA-O 3.43Å; A141-K145 VanDerWaalsContact CB-O 3.23Å; A141-K145 WeakPolarHBondContact CB-O 3.23Å; Y142-K145 PolarHBondContact N-O 3.34Å; Y142-K145 PolarHBondContact O-N 3.32Å; K145-Y147 PolarHBondContact O-N 2.65Å
146	D	98.7	Very high	98.4	Very high	118 Å²	118	51.1 Å²	51.1	63%	0.631	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	138	173	-66.1	-45.1	0	0	0	111.1	A160	D146-A160 WeakPolarHBondContact O-CB 3.33Å
147	Y	98.8	Very high	98.4	Very high	11 Å²	11	51.2 Å²	51.2	4%	0.043	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	-62.9	-179.4	179.2	-107.9	0	0	0	110.6	L105 Y109 Y140 K145 A160 A163 A164 T167	L105-Y147 HydrophobicContact CD2-CD1 4.3Å; L105-Y147 HydrophobicContact CD2-CD2 3.99Å; L105-Y147 HydrophobicContact CD2-CE1 3.75Å; L105-Y147 HydrophobicContact CD2-CE2 3.37Å; L105-Y147 HydrophobicContact CD2-CG 4.42Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.38Å; Y109-Y147 HydrophobicContact CE2-CD2 4.41Å; Y109-Y147 HydrophobicContact CE2-CE2 4.13Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.47Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.22Å; Y140-Y147 WeakPolarHBondContact O-CB 3.17Å; Y140-Y147 PolarHBondContact O-N 3.46Å; K145-Y147 PolarHBondContact O-N 2.65Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 3.14Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 3.23Å; Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å
148	I	98.8	Very high	98.4	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.7	177.5	-161.6	174.9	0	0	0	110.5	Q139 Y140 W157 T158 T167 Q168 W171	Q139-I148 WeakPolarHBondContact CA-O 3.42Å; Y140-I148 HydrophobicContact CD2-CG2 4.28Å; Y140-I148 PolarHBondContact N-O 3.33Å; Y140-I148 PolarHBondContact O-N 3.04Å; I148-W157 HydrophobicContact CD1-CB 4.12Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.35Å; I148-W157 HydrophobicContact CG1-CB 4.23Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T158 WeakPolarHBondContact CG1-O 3.32Å; I148-T167 HydrophobicContact CD1-CG2 4.05Å; I148-T167 HydrophobicContact CG2-CG2 4.44Å; I148-Q168 HydrophobicContact CD1-CB 3.9Å; I148-W171 HydrophobicContact CD1-CE3 4.06Å; I148-W171 HydrophobicContact CD1-CZ3 4.27Å; I148-W171 HydrophobicContact CG2-CE3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.59Å
149	A	98.8	Very high	98.4	Very high	30 Å²	30	54.2 Å²	54.2	25%	0.248	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	140	178.4	0	0	0	0	0	111.4	Q139 W157 T158	Q139-A149 HydrophobicContact CB-CB 3.82Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.95Å
150	L	98.8	Very high	98.4	Very high	14 Å²	14	54 Å²	54	7%	0.073	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.4	167	-174.4	67	0	0	0	108.5	D138 L154 W157 A177 R180 L184	D138-L150 HydrophobicContact CB-CB 4.1Å; D138-L150 HydrophobicContact CB-CD2 4.22Å; D138-L150 WeakPolarHBondContact O-CB 3.43Å; D138-L150 PolarHBondContact O-N 3.42Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.07Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; L150-A177 HydrophobicContact CD1-CB 3.99Å; L150-R180 HydrophobicContact CD2-CB 4Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å
151	N	98.6	Very high	98.4	Very high	42 Å²	42	55.9 Å²	55.9	23%	0.225	31%	0.311	C	S	.	.			trans	-74.6	164.4	-179.7	-66.6	-24.6	0	0	0	111.5	D153 L154 S156 T158	N151-D153 PolarHBondContact O-N 2.73Å; N151-D153 VanDerWaalsContact O-N 3.08Å; N151-L154 WeakPolarHBondContact O-CA 3.25Å; N151-L154 PolarHBondContact O-N 3.33Å; N151-S156 WeakPolarHBondContact CB-O 3.43Å; N151-S156 PolarHBondContact N-O 2.83Å; N151-S156 PolarHBondContact ND2-OG 3.45Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.29Å; N151-T158 PolarHBondContact OD1-N 3.02Å; N151-T158 PolarHBondContact OD1-OG1 3.13Å
152	E	97.8	Very high	98.4	Very high	136 Å²	136	60.3 Å²	60.3	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.1	-178.7	-63.1	179	-165.2	0	0	113.6	R135 L154	R135-E152 VanDerWaalsContact CZ-CD 3.47Å; R135-E152 IonicContact CZ-OE1 3.04Å; R135-E152 IonicContact NH1-OE1 3.3Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH1-OE2 3.13Å; R135-E152 IonicContact NH2-OE1 2.72Å; R135-E152 PolarHBondContact NH2-OE1 2.96Å; E152-L154 PolarHBondContact O-N 2.86Å
153	D	97.6	Very high	98.3	Very high	77 Å²	77	60 Å²	60	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-8.5	173.2	71.4	-0.5	0	0	0	114.1	N151 R155 S156	N151-D153 PolarHBondContact O-N 2.73Å; N151-D153 VanDerWaalsContact O-N 3.08Å; D153-R155 WeakPolarHBondContact O-CD 3.34Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.16Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.23Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-N 3.28Å; D153-S156 PolarHBondContact OD2-OG 3.31Å
154	L	98.2	Very high	98.4	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	32%	0.323	C	S	.	.	S	Bend	trans	52.4	27.8	-173.5	-53.4	-178.7	0	0	0	113.7	L133 L150 N151 E152 R181 L184 E185	L133-L154 HydrophobicContact CD2-CD1 4.08Å; L150-L154 HydrophobicContact CD2-CB 4.47Å; L150-L154 HydrophobicContact CD2-CD2 3.77Å; L150-L154 HydrophobicContact CG-CD2 4.29Å; N151-L154 WeakPolarHBondContact O-CA 3.25Å; N151-L154 PolarHBondContact O-N 3.33Å; E152-L154 PolarHBondContact O-N 2.86Å; L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CB 3.32Å; L154-R181 WeakPolarHBondContact O-CD 3.15Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; L154-E185 HydrophobicContact CD1-CG 4.12Å
155	R	97.8	Very high	98.4	Very high	163 Å²	163	58 Å²	58	62%	0.615	31%	0.309	S	S	*	.	S	Bend	trans	-134.6	-34.4	-173.1	-70.8	163.5	-177.1	-95.8	9.6	113.1	D153 A177	D153-R155 WeakPolarHBondContact O-CD 3.34Å; D153-R155 VanDerWaalsContact O-CG 3.31Å; D153-R155 WeakPolarHBondContact O-CG 3.46Å; D153-R155 PolarHBondContact O-N 2.7Å; D153-R155 PolarHBondContact OD1-N 3.16Å; R155-A177 WeakPolarHBondContact O-CB 3.41Å
156	S	98.1	Very high	98.4	Very high	41 Å²	41	53.2 Å²	53.2	29%	0.287	29%	0.29	S	S	.	.			trans	-112.1	163.2	-178.8	62.3	0	0	0	0	111.9	N151 D153	N151-S156 WeakPolarHBondContact CB-O 3.43Å; N151-S156 PolarHBondContact N-O 2.83Å; N151-S156 PolarHBondContact ND2-OG 3.45Å; D153-S156 VanDerWaalsContact CG-OG 3.24Å; D153-S156 PolarHBondContact OD1-N 3.23Å; D153-S156 PolarHBondContact OD1-OG 2.88Å; D153-S156 WeakPolarHBondContact OD2-CB 3.27Å; D153-S156 PolarHBondContact OD2-N 3.28Å; D153-S156 PolarHBondContact OD2-OG 3.31Å
157	W	98.7	Very high	98.4	Very high	9 Å²	9	48.4 Å²	48.4	3%	0.034	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.9	-179	-60.9	92.7	0	0	0	110.9	I148 A149 L150 Q168 W171 E176 A177 R180	I148-W157 HydrophobicContact CD1-CB 4.12Å; I148-W157 HydrophobicContact CD1-CD2 4.38Å; I148-W157 HydrophobicContact CD1-CE3 4.23Å; I148-W157 HydrophobicContact CD1-CG 4.35Å; I148-W157 HydrophobicContact CG1-CB 4.23Å; I148-W157 HydrophobicContact CG1-CE3 4.11Å; A149-W157 CarbonylContact O-C 3.52Å; A149-W157 WeakPolarHBondContact O-CA 3.45Å; L150-W157 HydrophobicContact CB-CE3 3.99Å; L150-W157 HydrophobicContact CB-CH2 4.07Å; L150-W157 HydrophobicContact CB-CZ3 3.63Å; L150-W157 HydrophobicContact CD1-CD2 4.17Å; L150-W157 HydrophobicContact CD1-CE3 4.28Å; L150-W157 HydrophobicContact CD1-CH2 4Å; L150-W157 HydrophobicContact CD1-CZ2 3.89Å; L150-W157 HydrophobicContact CD1-CZ3 4.19Å; L150-W157 HydrophobicContact CG-CZ3 4.48Å; W157-Q168 HydrophobicContact CB-CG 4.24Å; W157-Q168 PolarHBondContact O-NE2 3.06Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.6Å; W157-W171 HydrophobicContact CH2-CZ3 3.6Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.63Å; W157-W171 HydrophobicContact CZ2-CE3 3.63Å; W157-W171 HydrophobicContact CZ2-CZ3 4.19Å; W157-W171 AromaticContact CZ3-CE3 3.66Å; W157-W171 HydrophobicContact CZ3-CE3 3.66Å; W157-W171 AromaticContact CZ3-CZ3 3.46Å; W157-W171 HydrophobicContact CZ3-CZ3 3.46Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.46Å; W157-E176 HydrophobicContact CZ2-CB 4.23Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; W157-R180 HydrophobicContact CH2-CG 4.36Å
158	T	98.7	Very high	98.4	Very high	79 Å²	79	49.8 Å²	49.8	49%	0.485	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	119.3	165	-66.5	0	0	0	0	109	I148 A149 N151	I148-T158 WeakPolarHBondContact CA-O 3.29Å; I148-T158 WeakPolarHBondContact CG1-O 3.32Å; A149-T158 PolarHBondContact N-O 2.86Å; A149-T158 PolarHBondContact O-N 2.95Å; N151-T158 PolarHBondContact ND2-OG1 3.16Å; N151-T158 WeakPolarHBondContact OD1-CB 3.29Å; N151-T158 PolarHBondContact OD1-N 3.02Å; N151-T158 PolarHBondContact OD1-OG1 3.13Å
159	A	98.7	Very high	98.4	Very high	23 Å²	23	56.7 Å²	56.7	19%	0.19	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.7	175.4	0	0	0	0	0	110.3	A164 Q165 Q168	A159-A164 HydrophobicContact CB-CB 3.67Å; A159-Q165 HydrophobicContact CB-CG 4.06Å; A159-Q168 HydrophobicContact CB-CB 4.38Å
160	A	98.5	Very high	98.4	Very high	63 Å²	63	60.6 Å²	60.6	52%	0.521	31%	0.31	S	S	.	.	S	Bend	trans	-72.7	-31.1	-176.1	0	0	0	0	0	113.7	D146 Y147	D146-A160 WeakPolarHBondContact O-CB 3.33Å; Y147-A160 WeakPolarHBondContact O-CB 3.46Å; Y147-A160 PolarHBondContact O-N 3.14Å
161	D	98.4	Very high	98.4	Very high	54 Å²	54	62.2 Å²	62.2	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	-150.3	-174.1	-178.3	69.4	27.2	0	0	0	113.6	Y109 A163 A164 Q165	Y109-D161 WeakPolarHBondContact CE1-OD2 3.1Å; Y109-D161 VanDerWaalsContact OH-CG 3.31Å; Y109-D161 PolarHBondContact OH-OD1 3.46Å; Y109-D161 PolarHBondContact OH-OD2 2.89Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.92Å; D161-A163 WeakPolarHBondContact OD1-CA 3.22Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 3.34Å; D161-A164 PolarHBondContact O-N 3.19Å; D161-A164 PolarHBondContact OD1-N 2.65Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 2.95Å
162	T	98.3	Very high	98.4	Very high	110 Å²	110	64.5 Å²	64.5	68%	0.675	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.3	-179.5	50.7	0	0	0	0	114.4
163	A	98.1	Very high	98.4	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.033	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-42.9	173	0	0	0	0	0	110.2	Y108 Y109 Y147 D161 Q165 I166	Y108-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CD1-CB 4.18Å; Y109-A163 HydrophobicContact CD2-CB 4.48Å; Y109-A163 HydrophobicContact CE1-CB 3.63Å; Y109-A163 HydrophobicContact CE2-CB 3.96Å; Y147-A163 HydrophobicContact CE2-CB 4.39Å; Y147-A163 PolarHBondContact OH-O 3.23Å; D161-A163 VanDerWaalsContact C-N 3.32Å; D161-A163 PolarHBondContact O-N 2.92Å; D161-A163 WeakPolarHBondContact OD1-CA 3.22Å; D161-A163 WeakPolarHBondContact OD1-CB 3.38Å; D161-A163 PolarHBondContact OD1-N 3.34Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.44Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.86Å
164	A	98.6	Very high	98.4	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-36.7	173.2	0	0	0	0	0	112.9	Y147 A159 D161 I166 T167 Q168	Y147-A164 HydrophobicContact CD2-CB 3.87Å; Y147-A164 HydrophobicContact CE1-CB 4.48Å; Y147-A164 VanDerWaalsContact CE2-CA 3.49Å; Y147-A164 HydrophobicContact CE2-CB 3.72Å; Y147-A164 HydrophobicContact CG-CB 4.32Å; Y147-A164 WeakPolarHBondContact O-CB 3.5Å; A159-A164 HydrophobicContact CB-CB 3.67Å; D161-A164 PolarHBondContact O-N 3.19Å; D161-A164 PolarHBondContact OD1-N 2.65Å; A164-I166 PolarHBondContact O-N 2.82Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.25Å; A164-T167 PolarHBondContact O-N 2.86Å; A164-Q168 PolarHBondContact O-N 2.88Å
165	Q	98.7	Very high	98.4	Very high	72 Å²	72	68.2 Å²	68.2	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-58.9	-26.5	172.3	-72.8	174.8	16.9	0	0	113.6	A159 D161 A163 R169	A159-Q165 HydrophobicContact CB-CG 4.06Å; D161-Q165 WeakPolarHBondContact O-CG 3.35Å; D161-Q165 PolarHBondContact O-N 2.95Å; A163-Q165 VanDerWaalsContact C-N 3.27Å; A163-Q165 PolarHBondContact O-N 3.44Å; Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.14Å
166	I	98.5	Very high	98.4	Very high	59 Å²	59	62.3 Å²	62.3	30%	0.303	34%	0.335	S	S	.	.	H	α-helix	trans	-69.9	-41.2	174.1	-54.5	171.9	0	0	0	110	Y108 A163 A164 K170	Y108-I166 HydrophobicContact CD1-CD1 4.09Å; Y108-I166 HydrophobicContact CD2-CD1 4.43Å; Y108-I166 HydrophobicContact CE1-CD1 4.45Å; Y108-I166 HydrophobicContact CE1-CG2 4.01Å; Y108-I166 HydrophobicContact CE2-CB 4.19Å; Y108-I166 HydrophobicContact CE2-CG2 4.12Å; Y108-I166 HydrophobicContact CG-CD1 4.09Å; A163-I166 VanDerWaalsContact O-CB 3.25Å; A163-I166 WeakPolarHBondContact O-CB 3.48Å; A163-I166 PolarHBondContact O-N 2.86Å; A164-I166 PolarHBondContact O-N 2.82Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.18Å
167	T	98.5	Very high	98.4	Very high	18 Å²	18	60.8 Å²	60.8	11%	0.11	33%	0.325	C	S	.	.	H	α-helix	trans	-66.5	-45.9	173.1	-71.1	0	0	0	0	111.2	Y147 I148 A164 R169 K170 W171	Y147-T167 HydrophobicContact CE1-CG2 4.21Å; Y147-T167 PolarHBondContact OH-OG1 2.85Å; I148-T167 HydrophobicContact CD1-CG2 4.05Å; I148-T167 HydrophobicContact CG2-CG2 4.44Å; A164-T167 WeakPolarHBondContact O-CA 3.39Å; A164-T167 WeakPolarHBondContact O-CB 3.25Å; A164-T167 PolarHBondContact O-N 2.86Å; T167-R169 PolarHBondContact O-N 2.93Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-K170 VanDerWaalsContact O-N 3.1Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.46Å; T167-W171 HydrophobicContact CG2-CE3 3.96Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.08Å; T167-W171 HydrophobicContact CG2-CZ2 3.74Å; T167-W171 HydrophobicContact CG2-CZ3 4.19Å; T167-W171 PolarHBondContact O-N 3.07Å
168	Q	98.7	Very high	98.4	Very high	40 Å²	40	65.7 Å²	65.7	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-51.1	-55.8	178.1	176.3	172.7	10.7	0	0	111.8	I148 W157 A159 A164 K170 W171 E172	I148-Q168 HydrophobicContact CD1-CB 3.9Å; W157-Q168 HydrophobicContact CB-CG 4.24Å; W157-Q168 PolarHBondContact O-NE2 3.06Å; A159-Q168 HydrophobicContact CB-CB 4.38Å; A164-Q168 PolarHBondContact O-N 2.88Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.23Å; Q168-W171 PolarHBondContact O-N 3.44Å; Q168-E172 VanDerWaalsContact CG-CD 3.47Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 3.31Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.49Å; Q168-E172 PolarHBondContact O-N 2.87Å
169	R	98.7	Very high	98.3	Very high	149 Å²	149	67.4 Å²	67.4	56%	0.562	35%	0.351	S	S	*	.	H	α-helix	trans	-58.5	-35.9	-179.8	-67.4	169.3	-164.5	143.6	11.3	112.8	Q165 T167 A173	Q165-R169 VanDerWaalsContact O-CG 3.31Å; Q165-R169 WeakPolarHBondContact O-CG 3.23Å; Q165-R169 PolarHBondContact O-N 3.38Å; Q165-R169 VanDerWaalsContact O-N 3.16Å; Q165-R169 VanDerWaalsContact OE1-NH2 3.14Å; T167-R169 PolarHBondContact O-N 2.93Å; R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.5Å; R169-A173 PolarHBondContact O-N 3.03Å; R169-A173 VanDerWaalsContact O-N 3.12Å
170	K	98.4	Very high	98.3	Very high	112 Å²	112	68.5 Å²	68.5	49%	0.487	35%	0.35	S	S	.	.	H	α-helix	trans	-68.8	-42.6	176.1	-72.5	175.5	177.6	-176.5	0	111.7	Y108 I166 T167 Q168 A174	Y108-K170 PolarHBondContact OH-NZ 3.38Å; I166-K170 WeakPolarHBondContact O-CG 3.49Å; I166-K170 PolarHBondContact O-N 3.18Å; T167-K170 WeakPolarHBondContact O-CB 3.34Å; T167-K170 PolarHBondContact O-N 2.86Å; T167-K170 VanDerWaalsContact O-N 3.1Å; Q168-K170 VanDerWaalsContact C-N 3.25Å; Q168-K170 PolarHBondContact O-N 3.23Å; K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.35Å
171	W	98.4	Very high	98.3	Very high	47 Å²	47	69 Å²	69	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-73.9	-33.7	-179.2	-74.6	3.2	0	0	0	113.2	Y140 I148 W157 T167 Q168 A174 R175 E176	Y140-W171 AromaticContact CD2-CH2 3.81Å; Y140-W171 HydrophobicContact CD2-CH2 3.81Å; Y140-W171 HydrophobicContact CD2-CZ3 4.27Å; Y140-W171 AromaticContact CE2-CH2 3.47Å; Y140-W171 HydrophobicContact CE2-CH2 3.47Å; Y140-W171 VanDerWaalsContact CE2-CH2 3.47Å; Y140-W171 HydrophobicContact CE2-CZ2 4.48Å; Y140-W171 HydrophobicContact CE2-CZ3 4.07Å; Y140-W171 HydrophobicContact CG-CH2 4.49Å; Y140-W171 AromaticContact CZ-CH2 3.85Å; I148-W171 HydrophobicContact CD1-CE3 4.06Å; I148-W171 HydrophobicContact CD1-CZ3 4.27Å; I148-W171 HydrophobicContact CG2-CE3 4.4Å; I148-W171 HydrophobicContact CG2-CH2 3.96Å; I148-W171 HydrophobicContact CG2-CZ3 3.59Å; W157-W171 AromaticContact CD2-CE3 3.99Å; W157-W171 HydrophobicContact CD2-CE3 3.99Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.87Å; W157-W171 HydrophobicContact CE3-CE3 3.87Å; W157-W171 AromaticContact CE3-CZ3 3.95Å; W157-W171 HydrophobicContact CE3-CZ3 3.95Å; W157-W171 AromaticContact CH2-CE3 3.54Å; W157-W171 HydrophobicContact CH2-CE3 3.54Å; W157-W171 AromaticContact CH2-CZ3 3.6Å; W157-W171 HydrophobicContact CH2-CZ3 3.6Å; W157-W171 HydrophobicContact CZ2-CD2 4.49Å; W157-W171 AromaticContact CZ2-CE3 3.63Å; W157-W171 HydrophobicContact CZ2-CE3 3.63Å; W157-W171 HydrophobicContact CZ2-CZ3 4.19Å; W157-W171 AromaticContact CZ3-CE3 3.66Å; W157-W171 HydrophobicContact CZ3-CE3 3.66Å; W157-W171 AromaticContact CZ3-CZ3 3.46Å; W157-W171 HydrophobicContact CZ3-CZ3 3.46Å; W157-W171 VanDerWaalsContact CZ3-CZ3 3.46Å; T167-W171 HydrophobicContact CG2-CD2 3.58Å; T167-W171 VanDerWaalsContact CG2-CE2 3.46Å; T167-W171 HydrophobicContact CG2-CE3 3.96Å; T167-W171 HydrophobicContact CG2-CG 4.07Å; T167-W171 HydrophobicContact CG2-CH2 4.08Å; T167-W171 HydrophobicContact CG2-CZ2 3.74Å; T167-W171 HydrophobicContact CG2-CZ3 4.19Å; T167-W171 PolarHBondContact O-N 3.07Å; Q168-W171 PolarHBondContact O-N 3.44Å; W171-A174 CarbonylContact O-C 3.56Å; W171-R175 WeakPolarHBondContact O-CA 3.32Å; W171-R175 PolarHBondContact O-N 2.78Å; W171-E176 HydrophobicContact CB-CB 4.01Å; W171-E176 HydrophobicContact CB-CG 4.03Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.87Å; W171-E176 PolarHBondContact O-N 2.74Å
172	E	98.5	Very high	98.3	Very high	90 Å²	90	69.6 Å²	69.6	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-47.9	170.4	-71.9	168.3	169.8	0	0	110.9	Q168 A174 R175	Q168-E172 VanDerWaalsContact CG-CD 3.47Å; Q168-E172 HydrophobicContact CG-CG 4.25Å; Q168-E172 WeakPolarHBondContact CG-OE1 3.41Å; Q168-E172 PolarHBondContact NE2-OE1 3.31Å; Q168-E172 WeakPolarHBondContact O-CB 3.37Å; Q168-E172 WeakPolarHBondContact O-CG 3.49Å; Q168-E172 PolarHBondContact O-N 2.87Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.39Å; E172-R175 PolarHBondContact O-N 2.63Å; E172-R175 VanDerWaalsContact O-N 3.09Å
173	A	98.4	Very high	98.3	Very high	87 Å²	87	66.8 Å²	66.8	72%	0.719	33%	0.328	S	S	*	.	H	α-helix	trans	-61.9	-34.6	175.9	0	0	0	0	0	113	R169	R169-A173 VanDerWaalsContact O-CB 3.29Å; R169-A173 WeakPolarHBondContact O-CB 3.5Å; R169-A173 PolarHBondContact O-N 3.03Å; R169-A173 VanDerWaalsContact O-N 3.12Å
174	A	98.1	Very high	98.3	Very high	54 Å²	54	66.7 Å²	66.7	45%	0.446	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-3.6	175.9	0	0	0	0	0	114.3	K170 W171 E172 E176	K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 3.35Å; W171-A174 CarbonylContact O-C 3.56Å; E172-A174 VanDerWaalsContact C-N 3.28Å; E172-A174 PolarHBondContact O-N 3.39Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.26Å; A174-E176 PolarHBondContact O-N 2.8Å
175	R	97.8	Very high	98.3	Very high	158 Å²	158	70.6 Å²	70.6	60%	0.596	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.7	-176.3	-58.9	174	173.2	-135.9	10.3	114.4	W171 E172 A177 E178	W171-R175 WeakPolarHBondContact O-CA 3.32Å; W171-R175 PolarHBondContact O-N 2.78Å; E172-R175 PolarHBondContact O-N 2.63Å; E172-R175 VanDerWaalsContact O-N 3.09Å; R175-A177 PolarHBondContact O-N 2.66Å; R175-A177 VanDerWaalsContact O-N 3.12Å; R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.4Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact NE-OE1 3.73Å; R175-E178 IonicContact NH1-OE1 3.74Å; R175-E178 PolarHBondContact NH1-OE1 2.65Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 3.2Å
176	E	97.8	Very high	98.3	Very high	40 Å²	40	68.3 Å²	68.3	19%	0.187	34%	0.341	C	S	.	.	H	α-helix	trans	-55.3	-33.8	-179.2	-74.9	-77.4	159.5	0	0	112.7	W157 W171 A174 E178 Q179 R180	W157-E176 HydrophobicContact CZ2-CB 4.23Å; W171-E176 HydrophobicContact CB-CB 4.01Å; W171-E176 HydrophobicContact CB-CG 4.03Å; W171-E176 HydrophobicContact CD2-CG 4.48Å; W171-E176 HydrophobicContact CG-CB 4.16Å; W171-E176 HydrophobicContact CG-CG 3.87Å; W171-E176 PolarHBondContact O-N 2.74Å; A174-E176 VanDerWaalsContact C-N 3.27Å; A174-E176 HydrophobicContact CB-CG 4.26Å; A174-E176 PolarHBondContact O-N 2.8Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.94Å; E176-Q179 PolarHBondContact O-N 3.16Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; E176-R180 WeakPolarHBondContact O-CG 3.15Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 2.7Å; E176-R180 VanDerWaalsContact OE2-CZ 3.22Å; E176-R180 IonicContact OE2-NH1 3.16Å; E176-R180 PolarHBondContact OE2-NH1 3.36Å; E176-R180 IonicContact OE2-NH2 3.5Å; E176-R180 PolarHBondContact OE2-NH2 2.86Å
177	A	98.3	Very high	98.2	Very high	9 Å²	9	67.9 Å²	67.9	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-58.8	-36.9	176.8	0	0	0	0	0	112.8	L150 R155 W157 R175 Q179 R180 R181	L150-A177 HydrophobicContact CD1-CB 3.99Å; R155-A177 WeakPolarHBondContact O-CB 3.41Å; W157-A177 HydrophobicContact CZ2-CB 4.27Å; R175-A177 PolarHBondContact O-N 2.66Å; R175-A177 VanDerWaalsContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.15Å; A177-R180 PolarHBondContact O-N 2.87Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 3.42Å
178	E	98.1	Very high	98.2	Very high	112 Å²	112	67 Å²	67	52%	0.523	34%	0.336	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.5	-63.6	179.2	-177.2	0	0	110.9	R175 E176 A182	R175-E178 HydrophobicContact CB-CG 4.17Å; R175-E178 WeakPolarHBondContact CD-OE1 3.4Å; R175-E178 IonicContact CZ-OE1 2.79Å; R175-E178 IonicContact NE-OE1 3.73Å; R175-E178 IonicContact NH1-OE1 3.74Å; R175-E178 PolarHBondContact NH1-OE1 2.65Å; R175-E178 IonicContact NH1-OE2 2.77Å; R175-E178 WeakPolarHBondContact O-CB 3.37Å; R175-E178 PolarHBondContact O-N 3.2Å; E176-E178 VanDerWaalsContact C-N 3.29Å; E176-E178 PolarHBondContact O-N 2.94Å; E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.86Å
179	Q	96.9	Very high	98.2	Very high	115 Å²	115	65.5 Å²	65.5	54%	0.537	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-41.6	177.9	-59.2	-174.8	22.7	0	0	112.4	E176 A177 A182 Y183	E176-Q179 PolarHBondContact O-N 3.16Å; E176-Q179 VanDerWaalsContact O-N 3.12Å; A177-Q179 VanDerWaalsContact C-N 3.32Å; A177-Q179 PolarHBondContact O-N 3.15Å; Q179-A182 PolarHBondContact O-N 2.85Å; Q179-Y183 PolarHBondContact O-N 3.24Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å
180	R	98.1	Very high	98.2	Very high	46 Å²	46	64.1 Å²	64.1	17%	0.174	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-45.5	176.5	-64.3	-53.2	-174.7	-85.8	-19	111.1	D138 L150 W157 E176 A177 A182 Y183 L184	D138-R180 WeakPolarHBondContact OD2-CD 3.44Å; D138-R180 WeakPolarHBondContact OD2-CG 3.34Å; D138-R180 IonicContact OD2-NE 2.78Å; D138-R180 PolarHBondContact OD2-NE 2.87Å; L150-R180 HydrophobicContact CD2-CB 4Å; W157-R180 HydrophobicContact CH2-CG 4.36Å; E176-R180 WeakPolarHBondContact O-CG 3.15Å; E176-R180 PolarHBondContact O-N 3.01Å; E176-R180 IonicContact OE2-CZ 2.7Å; E176-R180 VanDerWaalsContact OE2-CZ 3.22Å; E176-R180 IonicContact OE2-NH1 3.16Å; E176-R180 PolarHBondContact OE2-NH1 3.36Å; E176-R180 IonicContact OE2-NH2 3.5Å; E176-R180 PolarHBondContact OE2-NH2 2.86Å; A177-R180 PolarHBondContact O-N 2.87Å; R180-A182 PolarHBondContact O-N 2.86Å; R180-Y183 PolarHBondContact O-N 3Å; R180-L184 WeakPolarHBondContact O-CB 3.44Å; R180-L184 WeakPolarHBondContact O-CG 3.26Å; R180-L184 PolarHBondContact O-N 3.39Å
181	R	98.4	Very high	98.2	Very high	73 Å²	73	61 Å²	61	28%	0.275	32%	0.315	S	S	.	.	H	α-helix	trans	-57.5	-47.2	174.9	-174.1	169.3	177.5	-111	-18.6	112.2	L154 A177 Y183 L184 E185	L154-R181 HydrophobicContact CB-CB 3.98Å; L154-R181 HydrophobicContact CB-CG 3.74Å; L154-R181 HydrophobicContact CD1-CG 4.18Å; L154-R181 WeakPolarHBondContact O-CB 3.32Å; L154-R181 WeakPolarHBondContact O-CD 3.15Å; A177-R181 WeakPolarHBondContact O-CB 3.31Å; A177-R181 PolarHBondContact O-N 3.42Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.85Å; R181-L184 PolarHBondContact O-N 2.91Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.38Å; R181-E185 IonicContact CZ-OE1 3.38Å; R181-E185 IonicContact CZ-OE2 3.48Å; R181-E185 VanDerWaalsContact CZ-OE2 3.26Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.71Å; R181-E185 PolarHBondContact NE-OE1 3.39Å; R181-E185 IonicContact NE-OE2 2.65Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 VanDerWaalsContact NH2-CD 3.3Å; R181-E185 IonicContact NH2-OE1 2.63Å; R181-E185 PolarHBondContact NH2-OE1 2.78Å; R181-E185 IonicContact NH2-OE2 3.31Å; R181-E185 PolarHBondContact NH2-OE2 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 2.9Å
182	A	98.4	Very high	98.2	Very high	66 Å²	66	58.8 Å²	58.8	55%	0.545	31%	0.306	S	S	.	.	H	α-helix	trans	-60.3	-39	177.4	0	0	0	0	0	113	E178 Q179 R180 G186	E178-A182 WeakPolarHBondContact O-CB 3.38Å; E178-A182 PolarHBondContact O-N 2.86Å; Q179-A182 PolarHBondContact O-N 2.85Å; R180-A182 PolarHBondContact O-N 2.86Å; A182-G186 PolarHBondContact O-N 2.82Å
183	Y	98.3	Very high	98.1	Very high	51 Å²	51	60.4 Å²	60.4	20%	0.2	31%	0.308	C	S	.	.	I	π-helix	trans	-67	-44.6	173	171.7	-97.2	0	0	0	112.3	Y123 Q179 R180 R181 T187 C188	Y123-Y183 AromaticContact CD2-CE1 3.82Å; Y123-Y183 HydrophobicContact CD2-CE1 3.82Å; Y123-Y183 AromaticContact CE2-CE1 3.6Å; Y123-Y183 HydrophobicContact CE2-CE1 3.6Å; Y123-Y183 AromaticContact CE2-CZ 3.92Å; Q179-Y183 PolarHBondContact O-N 3.24Å; Q179-Y183 VanDerWaalsContact O-N 3.12Å; R180-Y183 PolarHBondContact O-N 3Å; R181-Y183 VanDerWaalsContact C-N 3.32Å; R181-Y183 PolarHBondContact O-N 2.85Å; Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 2.84Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.5Å; Y183-C188 PolarHBondContact O-N 2.86Å
184	L	98.6	Very high	98.1	Very high	2 Å²	2	62 Å²	62	1%	0.01	30%	0.296	C	S	.	.	I	π-helix	trans	-71.6	-41.8	-175.1	-70	172.4	0	0	0	112.9	G124 L150 L154 R180 R181 C188	G124-L184 WeakPolarHBondContact O-CD2 3.49Å; L150-L184 HydrophobicContact CD2-CD1 3.89Å; L154-L184 HydrophobicContact CD1-CB 4.47Å; L154-L184 HydrophobicContact CD2-CD1 3.99Å; R180-L184 WeakPolarHBondContact O-CB 3.44Å; R180-L184 WeakPolarHBondContact O-CG 3.26Å; R180-L184 PolarHBondContact O-N 3.39Å; R181-L184 PolarHBondContact O-N 2.91Å; L184-C188 HydrophobicContact CD2-CB 4.5Å
185	E	98.3	Very high	98	Very high	83 Å²	83	59.5 Å²	59.5	39%	0.388	28%	0.275	S	S	.	.	I	π-helix	trans	-76.1	-28.8	178.2	-67.6	-178.9	159.6	0	0	113.1	L133 L154 R181	L133-E185 HydrophobicContact CD2-CB 4.5Å; L133-E185 HydrophobicContact CD2-CG 3.81Å; L154-E185 HydrophobicContact CD1-CG 4.12Å; R181-E185 VanDerWaalsContact CG-CD 3.49Å; R181-E185 HydrophobicContact CG-CG 4.03Å; R181-E185 WeakPolarHBondContact CG-OE2 3.38Å; R181-E185 IonicContact CZ-OE1 3.38Å; R181-E185 IonicContact CZ-OE2 3.48Å; R181-E185 VanDerWaalsContact CZ-OE2 3.26Å; R181-E185 VanDerWaalsContact NE-CD 3.3Å; R181-E185 IonicContact NE-OE1 3.71Å; R181-E185 PolarHBondContact NE-OE1 3.39Å; R181-E185 IonicContact NE-OE2 2.65Å; R181-E185 PolarHBondContact NE-OE2 2.87Å; R181-E185 VanDerWaalsContact NH2-CD 3.3Å; R181-E185 IonicContact NH2-OE1 2.63Å; R181-E185 PolarHBondContact NH2-OE1 2.78Å; R181-E185 IonicContact NH2-OE2 3.31Å; R181-E185 PolarHBondContact NH2-OE2 3.24Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 WeakPolarHBondContact O-CG 3.26Å; R181-E185 PolarHBondContact O-N 2.9Å
186	G	98.2	Very high	97.9	Very high	23 Å²	23	52.6 Å²	52.6	24%	0.237	25%	0.25	C	C	.	.	I	π-helix	trans	-105.7	-91.9	-179.9	0	0	0	0	0	112.7	A182 C188 V189 E190	A182-G186 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.11Å; G186-C188 VanDerWaalsContact O-N 3.13Å; G186-V189 PolarHBondContact O-N 2.77Å; G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 3.17Å
187	T	98.1	Very high	97.8	Very high	51 Å²	51	56 Å²	56	31%	0.313	27%	0.266	S	S	.	.	I	π-helix	trans	-52.8	-39.7	-168.8	-55.4	0	0	0	0	113.9	Y183 E190 W191	Y183-T187 HydrophobicContact CD2-CG2 3.91Å; Y183-T187 HydrophobicContact CE2-CG2 3.72Å; Y183-T187 PolarHBondContact O-N 2.84Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; T187-E190 PolarHBondContact O-N 3.12Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 2.89Å
188	C	98.6	Very high	97.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	I	π-helix	trans	-62.3	-49.6	179.1	-170.3	0	0	0	0	111.4	M29 C125 Y183 L184 G186 E190 W191 L192	M29-C188 HydrophobicContact CE-CB 4.18Å; M29-C188 WeakPolarHBondContact CE-O 3.32Å; M29-C188 WeakPolarHBondContact CE-SG 3.44Å; C125-C188 HydrophobicContact CB-CB 3.86Å; C125-C188 WeakPolarHBondContact CB-SG 3.47Å; C125-C188 PolarHBondContact N-SG 3.47Å; C125-C188 WeakPolarHBondContact SG-CB 3.19Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.74Å; Y183-C188 HydrophobicContact CD1-CB 4.34Å; Y183-C188 HydrophobicContact CE1-CB 3.88Å; Y183-C188 WeakPolarHBondContact O-CB 3.5Å; Y183-C188 PolarHBondContact O-N 2.86Å; L184-C188 HydrophobicContact CD2-CB 4.5Å; G186-C188 VanDerWaalsContact C-N 3.28Å; G186-C188 PolarHBondContact O-N 3.11Å; G186-C188 VanDerWaalsContact O-N 3.13Å; C188-E190 PolarHBondContact O-N 3.29Å; C188-W191 PolarHBondContact O-N 2.89Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.79Å
189	V	98.5	Very high	97.6	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-63.3	-42.2	177.9	174.6	0	0	0	0	111.5	V127 G131 L133 G186 L192 R193	V127-V189 HydrophobicContact CG1-CB 4.41Å; V127-V189 HydrophobicContact CG1-CG1 4.05Å; V127-V189 HydrophobicContact CG1-CG2 3.95Å; G131-V189 WeakPolarHBondContact O-CG1 3.43Å; L133-V189 HydrophobicContact CB-CG2 4.01Å; L133-V189 HydrophobicContact CD1-CG2 3.9Å; G186-V189 PolarHBondContact O-N 2.77Å; V189-L192 PolarHBondContact O-N 3.03Å; V189-R193 WeakPolarHBondContact O-CB 3.4Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 3.12Å
190	E	98.3	Very high	97.4	Very high	120 Å²	120	51.8 Å²	51.8	56%	0.561	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-47.3	177.7	-70.1	172.3	164.5	0	0	112.4	G186 T187 C188 R194	G186-E190 WeakPolarHBondContact O-CG 3.37Å; G186-E190 PolarHBondContact O-N 3.17Å; T187-E190 PolarHBondContact O-N 3.12Å; C188-E190 PolarHBondContact O-N 3.29Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 VanDerWaalsContact O-N 3.11Å
191	W	98.2	Very high	97	Very high	47 Å²	47	59 Å²	59	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-70.6	-39.3	179	-81.4	94.4	0	0	0	112.3	M29 Y83 T187 C188 R193 R194 Y195	M29-W191 HydrophobicContact CE-CB 4.12Å; M29-W191 HydrophobicContact SD-CB 4.5Å; Y83-W191 AromaticContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CH2 3.56Å; Y83-W191 HydrophobicContact CD2-CZ2 4.29Å; Y83-W191 AromaticContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CD2-CZ3 3.68Å; Y83-W191 HydrophobicContact CE2-CE3 4.2Å; Y83-W191 HydrophobicContact CE2-CH2 4.06Å; Y83-W191 AromaticContact CE2-CZ3 3.76Å; Y83-W191 HydrophobicContact CE2-CZ3 3.76Å; T187-W191 VanDerWaalsContact O-CD1 3.22Å; T187-W191 PolarHBondContact O-N 2.89Å; C188-W191 PolarHBondContact O-N 2.89Å; W191-R193 PolarHBondContact O-N 2.81Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 3.26Å; W191-Y195 HydrophobicContact CB-CE2 4.17Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.39Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.28Å; W191-Y195 AromaticContact CZ3-CE1 3.94Å; W191-Y195 HydrophobicContact CZ3-CE1 3.94Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 PolarHBondContact O-N 2.84Å
192	L	98.4	Very high	96.5	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-47.6	174.2	175	51.5	0	0	0	111.2	H27 M29 V52 V127 C188 V189 R194 Y195 L196	H27-L192 HydrophobicContact CB-CD1 4.43Å; M29-L192 HydrophobicContact CB-CB 4.04Å; M29-L192 HydrophobicContact CB-CD1 4.04Å; M29-L192 HydrophobicContact CB-CD2 4.09Å; M29-L192 HydrophobicContact CB-CG 4.27Å; M29-L192 HydrophobicContact CE-CB 4.36Å; V52-L192 HydrophobicContact CG1-CD1 3.57Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V127-L192 HydrophobicContact CB-CD2 4.4Å; V127-L192 HydrophobicContact CG1-CD2 3.99Å; V127-L192 HydrophobicContact CG2-CD2 3.64Å; V127-L192 HydrophobicContact CG2-CG 4.2Å; C188-L192 WeakPolarHBondContact O-CB 3.37Å; C188-L192 PolarHBondContact O-N 2.79Å; V189-L192 PolarHBondContact O-N 3.03Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.85Å; L192-Y195 PolarHBondContact O-N 2.93Å; L192-L196 HydrophobicContact CD1-CD1 3.78Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.13Å
193	R	96.8	Very high	96.2	Very high	123 Å²	123	55 Å²	55	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-58.2	-42.6	175	-71.3	172	-177.6	-174.5	2.6	112.6	G131 V189 W191 L196 E197	G131-R193 VanDerWaalsContact C-NH2 3.32Å; G131-R193 VanDerWaalsContact O-CZ 3.24Å; G131-R193 PolarHBondContact O-NE 2.75Å; G131-R193 PolarHBondContact O-NH2 2.76Å; V189-R193 WeakPolarHBondContact O-CB 3.4Å; V189-R193 VanDerWaalsContact O-CG 3.27Å; V189-R193 WeakPolarHBondContact O-CG 3.45Å; V189-R193 PolarHBondContact O-N 3.12Å; W191-R193 PolarHBondContact O-N 2.81Å; R193-L196 PolarHBondContact O-N 3.03Å; R193-E197 PolarHBondContact O-N 3.39Å; R193-E197 VanDerWaalsContact O-N 3.12Å
194	R	97.1	Very high	95.7	Very high	121 Å²	121	56.9 Å²	56.9	46%	0.457	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-45.1	175.8	179	179.9	174.4	112.7	-6.1	111.6	E79 E190 W191 L192 E197 N198	E79-R194 VanDerWaalsContact CD-NH2 3.33Å; E79-R194 IonicContact OE1-CZ 3.44Å; E79-R194 IonicContact OE1-NE 2.67Å; E79-R194 PolarHBondContact OE1-NE 2.87Å; E79-R194 IonicContact OE1-NH2 3.8Å; E79-R194 PolarHBondContact OE1-NH2 2.86Å; E79-R194 VanDerWaalsContact OE1-NH2 3.16Å; E79-R194 IonicContact OE2-CZ 3.71Å; E79-R194 IonicContact OE2-NE 3.73Å; E79-R194 IonicContact OE2-NH2 3.53Å; E79-R194 PolarHBondContact OE2-NH2 2.98Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 VanDerWaalsContact O-N 3.11Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 3.26Å; L192-R194 VanDerWaalsContact C-N 3.33Å; L192-R194 PolarHBondContact O-N 2.85Å; R194-E197 PolarHBondContact O-N 2.89Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.04Å
195	Y	97.4	Very high	95.2	Very high	1 Å²	1	60.2 Å²	60.2	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-38.8	177.9	-62.8	-28.1	0	0	0	112.7	M29 V52 F57 W75 V76 Y83 W191 L192 E197 N198 G199 L203	M29-Y195 HydrophobicContact SD-CD2 3.81Å; M29-Y195 HydrophobicContact SD-CE2 3.57Å; M29-Y195 VanDerWaalsContact SD-CE2 3.57Å; V52-Y195 HydrophobicContact CG2-CD2 3.83Å; V52-Y195 HydrophobicContact CG2-CG 4.39Å; F57-Y195 HydrophobicContact CD2-CE2 4.4Å; F57-Y195 HydrophobicContact CE1-CE2 4.44Å; F57-Y195 HydrophobicContact CE2-CD2 4.39Å; F57-Y195 AromaticContact CE2-CE2 3.64Å; F57-Y195 HydrophobicContact CE2-CE2 3.64Å; F57-Y195 AromaticContact CE2-CZ 3.86Å; F57-Y195 HydrophobicContact CZ-CD2 4.29Å; F57-Y195 AromaticContact CZ-CE2 3.67Å; F57-Y195 HydrophobicContact CZ-CE2 3.67Å; W75-Y195 HydrophobicContact CE3-CD1 4.25Å; W75-Y195 HydrophobicContact CE3-CG 4.43Å; W75-Y195 HydrophobicContact CH2-CD1 4.49Å; W75-Y195 HydrophobicContact CH2-CD2 4.37Å; W75-Y195 HydrophobicContact CH2-CG 4.03Å; W75-Y195 AromaticContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD1 3.56Å; W75-Y195 HydrophobicContact CZ3-CD2 4.19Å; W75-Y195 HydrophobicContact CZ3-CE1 4.29Å; W75-Y195 AromaticContact CZ3-CG 3.5Å; W75-Y195 HydrophobicContact CZ3-CG 3.5Å; V76-Y195 HydrophobicContact CG2-CE1 4.22Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.33Å; Y83-Y195 PolarHBondContact OH-OH 2.99Å; W191-Y195 HydrophobicContact CB-CE2 4.17Å; W191-Y195 HydrophobicContact CE3-CD1 4.41Å; W191-Y195 AromaticContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE1 3.52Å; W191-Y195 HydrophobicContact CE3-CE2 4.39Å; W191-Y195 AromaticContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.49Å; W191-Y195 VanDerWaalsContact CE3-OH 3.28Å; W191-Y195 AromaticContact CZ3-CE1 3.94Å; W191-Y195 HydrophobicContact CZ3-CE1 3.94Å; W191-Y195 VanDerWaalsContact O-CD2 3.29Å; W191-Y195 WeakPolarHBondContact O-CD2 3.39Å; W191-Y195 PolarHBondContact O-N 2.84Å; L192-Y195 PolarHBondContact O-N 2.93Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.93Å; Y195-N198 PolarHBondContact O-N 2.94Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.98Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å
196	L	96	Very high	94.9	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.068	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-37.1	175.5	-71.9	169	0	0	0	112.7	H27 V52 L192 R193 K200 L203 Q204	H27-L196 HydrophobicContact CB-CD1 3.7Å; H27-L196 HydrophobicContact CB-CD2 4.01Å; H27-L196 HydrophobicContact CB-CG 4.44Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.37Å; V52-L196 HydrophobicContact CG1-CD2 4.06Å; L192-L196 HydrophobicContact CD1-CD1 3.78Å; L192-L196 HydrophobicContact CD1-CD2 4.38Å; L192-L196 HydrophobicContact CD1-CG 3.83Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.45Å; L192-L196 WeakPolarHBondContact O-CB 3.33Å; L192-L196 VanDerWaalsContact O-CG 3.28Å; L192-L196 WeakPolarHBondContact O-CG 3.37Å; L192-L196 PolarHBondContact O-N 3.13Å; R193-L196 PolarHBondContact O-N 3.03Å; L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.21Å; L196-K200 PolarHBondContact O-N 2.98Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; L196-Q204 PolarHBondContact O-NE2 2.9Å; L196-Q204 VanDerWaalsContact O-NE2 3.12Å
197	E	95.4	Very high	94.6	Very high	113 Å²	113	60.3 Å²	60.3	53%	0.528	28%	0.28	S	S	.	.	H	α-helix	trans	-76	-43.6	174.7	-168.8	59.5	-151.1	0	0	111.7	R193 R194 Y195 G199 K200	R193-E197 PolarHBondContact O-N 3.39Å; R193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 2.89Å; Y195-E197 VanDerWaalsContact C-N 3.34Å; Y195-E197 PolarHBondContact O-N 2.93Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.41Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 3Å; E197-K200 IonicContact OE1-NZ 2.89Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 IonicContact OE2-NZ 2.76Å; E197-K200 PolarHBondContact OE2-NZ 2.96Å
198	N	96.1	Very high	94.5	Very high	52 Å²	52	63.2 Å²	63.2	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-44.8	175.2	-71.1	-2.3	0	0	0	112.1	W75 Q78 E79 R194 Y195	W75-N198 HydrophobicContact CB-CB 4.4Å; Q78-N198 PolarHBondContact NE2-ND2 2.82Å; Q78-N198 VanDerWaalsContact NE2-ND2 3.13Å; Q78-N198 PolarHBondContact NE2-OD1 2.9Å; E79-N198 PolarHBondContact OE1-ND2 3.35Å; R194-N198 WeakPolarHBondContact O-CB 3.46Å; R194-N198 PolarHBondContact O-N 2.91Å; R194-N198 PolarHBondContact O-OD1 3.04Å; Y195-N198 PolarHBondContact O-N 2.94Å
199	G	95	Very high	94.4	Very high	3 Å²	3	63.4 Å²	63.4	3%	0.031	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	12.7	-175	0	0	0	0	0	114.3	W75 Y195 E197 K201 T202 L203	W75-G199 VanDerWaalsContact CB-CA 3.5Å; W75-G199 VanDerWaalsContact CG-CA 3.44Å; Y195-G199 WeakPolarHBondContact O-CA 3.47Å; Y195-G199 PolarHBondContact O-N 2.98Å; E197-G199 VanDerWaalsContact C-N 3.33Å; E197-G199 PolarHBondContact O-N 3.41Å; G199-K201 VanDerWaalsContact C-N 3.28Å; G199-K201 PolarHBondContact O-N 3.23Å; G199-T202 WeakPolarHBondContact O-CA 3.47Å; G199-T202 PolarHBondContact O-N 2.81Å; G199-L203 PolarHBondContact O-N 2.93Å
200	K	92.5	Very high	94.4	Very high	92 Å²	92	69.7 Å²	69.7	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-45.5	-44.1	-170.1	-170.9	166.6	-158.8	153.2	0	115.2	L196 E197 T202 Q204	L196-K200 WeakPolarHBondContact O-CA 3.49Å; L196-K200 WeakPolarHBondContact O-CB 3.21Å; L196-K200 PolarHBondContact O-N 2.98Å; E197-K200 WeakPolarHBondContact O-CB 3.39Å; E197-K200 PolarHBondContact O-N 3Å; E197-K200 IonicContact OE1-NZ 2.89Å; E197-K200 PolarHBondContact OE1-NZ 2.87Å; E197-K200 IonicContact OE2-NZ 2.76Å; E197-K200 PolarHBondContact OE2-NZ 2.96Å; K200-T202 PolarHBondContact O-N 3.4Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 3.46Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
201	K	89.9	Confident	94.4	Very high	197 Å²	197	65.6 Å²	65.6	86%	0.857	30%	0.301	S	S	*	.	H	α-helix	trans	-66.7	-16.8	179.2	-65	-177.2	179.9	177.8	0	114.6	G199	G199-K201 VanDerWaalsContact C-N 3.28Å; G199-K201 PolarHBondContact O-N 3.23Å
202	T	89.4	Confident	94.3	Very high	51 Å²	51	67.2 Å²	67.2	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-116.6	-34.7	-173.8	-53.8	0	0	0	0	112.4	G199 K200 R205	G199-T202 WeakPolarHBondContact O-CA 3.47Å; G199-T202 PolarHBondContact O-N 2.81Å; K200-T202 PolarHBondContact O-N 3.4Å; T202-R205 WeakPolarHBondContact O-CG 3.31Å; T202-R205 PolarHBondContact O-NE 3.02Å
203	L	90.4	Very high	94.3	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-91.2	-35.5	-177.8	-61.2	173.6	0	0	0	112.7	V52 T55 W75 Y195 L196 G199 R205	V52-L203 HydrophobicContact CB-CD1 4.3Å; V52-L203 HydrophobicContact CB-CD2 4.19Å; V52-L203 HydrophobicContact CG1-CD1 3.87Å; V52-L203 HydrophobicContact CG1-CD2 4.1Å; T55-L203 HydrophobicContact CG2-CD2 4Å; W75-L203 HydrophobicContact CD2-CD1 4.4Å; W75-L203 HydrophobicContact CH2-CD1 4.34Å; W75-L203 HydrophobicContact CZ2-CD1 3.78Å; W75-L203 HydrophobicContact CZ2-CD2 4.02Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.48Å; L196-L203 HydrophobicContact CD2-CB 4.12Å; L196-L203 HydrophobicContact CD2-CD1 4.26Å; G199-L203 PolarHBondContact O-N 2.93Å; L203-R205 VanDerWaalsContact C-N 3.33Å
204	Q	87.6	Confident	94.2	Very high	90 Å²	90	64.1 Å²	64.1	42%	0.421	31%	0.305	S	S	.	.	S	Bend	trans	-99.4	30.9	177.4	-56.8	173.7	22.7	0	0	111.5	L196 K200	L196-Q204 PolarHBondContact O-NE2 2.9Å; L196-Q204 VanDerWaalsContact O-NE2 3.12Å; K200-Q204 WeakPolarHBondContact O-CB 3.39Å; K200-Q204 PolarHBondContact O-N 3.46Å; K200-Q204 VanDerWaalsContact O-N 3.13Å
205	R	89.1	Confident	94.2	Very high	72 Å²	72	61 Å²	61	27%	0.272	30%	0.295	S	S	.	.			trans	-102.5	143.4	169.6	76.6	-172.7	164.2	155.3	1.6	108.2	T202 L203 E207 Y233	T202-R205 WeakPolarHBondContact O-CG 3.31Å; T202-R205 PolarHBondContact O-NE 3.02Å; L203-R205 VanDerWaalsContact C-N 3.33Å; R205-E207 WeakPolarHBondContact CD-OE1 3.17Å; R205-E207 HydrophobicContact CG-CG 4.49Å; R205-E207 IonicContact CZ-OE1 3.62Å; R205-E207 VanDerWaalsContact CZ-OE1 3.31Å; R205-E207 IonicContact NE-OE1 3.11Å; R205-E207 IonicContact NH1-OE1 3.73Å; R205-E207 PolarHBondContact NH1-OE1 3.11Å; R205-Y233 HydrophobicContact CG-CD1 4.17Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å
206	A	91.2	Very high	94	Very high	44 Å²	44	64.9 Å²	64.9	36%	0.364	31%	0.314	S	S	.	.			trans	-113.9	123	162	0	0	0	0	0	108.4	Y233 E288	A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; A206-E288 HydrophobicContact CB-CB 4.24Å; A206-E288 HydrophobicContact CB-CG 4.33Å
207	E	93.7	Very high	93.9	Very high	65 Å²	65	69.1 Å²	69.1	30%	0.304	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-102	119.8	173.8	-67.3	-171	-163.5	0	0	108.3	R205 F232 Y233 H287	R205-E207 WeakPolarHBondContact CD-OE1 3.17Å; R205-E207 HydrophobicContact CG-CG 4.49Å; R205-E207 IonicContact CZ-OE1 3.62Å; R205-E207 VanDerWaalsContact CZ-OE1 3.31Å; R205-E207 IonicContact NE-OE1 3.11Å; R205-E207 IonicContact NH1-OE1 3.73Å; R205-E207 PolarHBondContact NH1-OE1 3.11Å; E207-F232 WeakPolarHBondContact O-CA 3.18Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.16Å; E207-Y233 PolarHBondContact N-O 2.95Å; E207-Y233 PolarHBondContact O-N 2.78Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; E207-H287 PolarHBondContact O-CE1 3.12Å
208	H	95	Very high	93.7	Very high	111 Å²	111	68.1 Å²	68.1	51%	0.514	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-71.7	146.6	-175.8	54.9	-109	0	0	0	112.2	K210 L290	H208-K210 PolarHBondContact O-N 3.15Å; H208-L290 HydrophobicContact CB-CD2 3.94Å
209	P	97.4	Very high	93.5	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.026	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-66.7	129.4	177.2	27.9	-35.4	0	0	0	111.7	T211 A229 F232 I237 V285 H287 L290	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.42Å; P209-A229 HydrophobicContact CB-CB 3.79Å; P209-F232 HydrophobicContact CB-CB 3.97Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.21Å; P209-I237 HydrophobicContact CB-CD1 3.98Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; P209-V285 HydrophobicContact CG-CG1 3.9Å; P209-H287 HydrophobicContact CG-CB 4.15Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.21Å
210	K	97.6	Very high	93.2	Very high	140 Å²	140	75.2 Å²	75.2	61%	0.609	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	100.3	165.7	-67	164.5	-172.3	157.1	0	107.9	H208 L230	H208-K210 PolarHBondContact O-N 3.15Å; K210-L230 WeakPolarHBondContact CB-O 3.22Å; K210-L230 PolarHBondContact N-O 2.94Å; K210-L230 PolarHBondContact O-N 3.35Å
211	T	97.5	Very high	93.3	Very high	34 Å²	34	77.7 Å²	77.7	21%	0.209	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142	-171.4	56.9	0	0	0	0	113.9	P209 W228 A229 V285 L294 L296	P209-T211 HydrophobicContact CB-CG2 3.89Å; P209-T211 HydrophobicContact CG-CG2 4.08Å; P209-T211 PolarHBondContact O-N 3.42Å; T211-W228 WeakPolarHBondContact CA-O 3.32Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; T211-L294 HydrophobicContact CG2-CD1 4.25Å; T211-L296 VanDerWaalsContact CB-CD1 3.49Å; T211-L296 HydrophobicContact CG2-CD1 4.09Å
212	H	96.4	Very high	93.5	Very high	82 Å²	82	72.8 Å²	72.8	38%	0.38	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	157.4	170.8	64.4	-73.1	0	0	0	111.4	W228	H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.27Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 2.67Å
213	V	97.9	Very high	93.8	Very high	25 Å²	25	70.4 Å²	70.4	15%	0.152	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	128	175.5	-178	0	0	0	0	109.6	L225 C227 W241 L296 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; V213-C227 HydrophobicContact CG2-CB 4.36Å; V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.8Å
214	T	96.4	Very high	94.1	Very high	33 Å²	33	71.3 Å²	71.3	20%	0.202	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	146.2	175.6	53.1	0	0	0	0	110.2	H216 L225 R226 W228	T214-H216 PolarHBondContact OG1-CE1 2.86Å; T214-L225 CarbonylContact O-C 3.44Å; T214-L225 WeakPolarHBondContact O-CA 3.29Å; T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.43Å; T214-R226 PolarHBondContact OG1-O 2.87Å; T214-W228 PolarHBondContact OG1-NE1 3.02Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å
215	H	95.4	Very high	94.6	Very high	55 Å²	55	67 Å²	67	26%	0.255	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.7	-177.8	166.3	-85.1	0	0	0	109.6	A223 L225 W298	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; H215-W298 HydrophobicContact CB-CD2 4.18Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CD2-CE2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.88Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact CG-NE1 3.93Å; H215-W298 AromaticContact ND1-CZ2 4Å
216	H	94.1	Very high	95	Very high	83 Å²	83	65.9 Å²	65.9	38%	0.384	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.4	-178.6	-55.9	81.8	0	0	0	108.7	T214 V218 A223 T224	T214-H216 PolarHBondContact OG1-CE1 2.86Å; H216-V218 PolarHBondContact O-N 2.81Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.42Å; H216-T224 PolarHBondContact N-O 3.49Å; H216-T224 PolarHBondContact O-N 3.33Å
217	P	93.4	Very high	95.3	Very high	101 Å²	101	63.8 Å²	63.8	66%	0.656	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	133.9	171.8	-20.2	30.8	0	0	0	110.5
218	V	91.8	Very high	95.6	Very high	92 Å²	92	63.1 Å²	63.1	56%	0.558	32%	0.322	S	S	*	.			trans	-107.4	-39.5	175.5	-177.6	0	0	0	0	110	H216 E222 T224	H216-V218 PolarHBondContact O-N 2.81Å; V218-E222 PolarHBondContact N-O 3.12Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.31Å
219	S	92.2	Very high	95.7	Very high	53 Å²	53	57.9 Å²	57.9	37%	0.371	30%	0.297	S	S	.	.	S	Bend	trans	-148.8	-178.3	174.3	70.8	0	0	0	0	110.6	H221 E222	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.08Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; S219-E222 PolarHBondContact N-O 3.4Å; S219-E222 PolarHBondContact OG-N 3.22Å; S219-E222 VanDerWaalsContact OG-N 3.14Å
220	D	89.2	Confident	95.8	Very high	152 Å²	152	60.2 Å²	60.2	81%	0.813	31%	0.309	S	S	*	.	S	Bend	trans	-67.3	-3.3	171.2	-63.1	-28.2	0	0	0	113.5
221	H	92.8	Very high	95.7	Very high	144 Å²	144	54.3 Å²	54.3	67%	0.667	29%	0.288	S	S	*	.	S	Bend	trans	-124.2	-15.8	-175.8	-56.1	-28	0	0	0	113.4	S219 P274 S275	S219-H221 PolarHBondContact O-N 3.18Å; S219-H221 VanDerWaalsContact O-N 3.14Å; S219-H221 PolarHBondContact OG-N 3.08Å; S219-H221 VanDerWaalsContact OG-N 3.15Å; H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; H221-S275 PolarHBondContact O-N 3.07Å; H221-S275 PolarHBondContact O-OG 2.91Å
222	E	94.9	Very high	95.7	Very high	94 Å²	94	52.7 Å²	52.7	44%	0.439	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.1	-172	-66.2	-179.6	163.8	0	0	112.3	V218 S219 V272 V273 S275	V218-E222 PolarHBondContact N-O 3.12Å; S219-E222 PolarHBondContact N-O 3.4Å; S219-E222 PolarHBondContact OG-N 3.22Å; S219-E222 VanDerWaalsContact OG-N 3.14Å; E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.34Å; E222-V273 WeakPolarHBondContact CA-O 3.36Å; E222-S275 PolarHBondContact N-OG 3.1Å
223	A	95.3	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.7	170.4	0	0	0	0	0	111	H215 H216 V273	H215-A223 VanDerWaalsContact NE2-CB 3.27Å; H215-A223 WeakPolarHBondContact NE2-CB 3.42Å; H216-A223 CarbonylContact O-C 3.57Å; H216-A223 WeakPolarHBondContact O-CA 3.42Å; A223-V273 PolarHBondContact N-O 2.84Å; A223-V273 PolarHBondContact O-N 3.16Å
224	T	97.2	Very high	95.5	Very high	23 Å²	23	48.5 Å²	48.5	14%	0.141	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	117.6	169.3	-53.9	0	0	0	0	109.8	H216 V218 A270 V271	H216-T224 PolarHBondContact N-O 3.49Å; H216-T224 PolarHBondContact O-N 3.33Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.31Å; T224-A270 HydrophobicContact CG2-CB 3.89Å; T224-V271 WeakPolarHBondContact CA-O 3.5Å
225	L	97.7	Very high	95.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124	164.2	-63.1	-175	0	0	0	108.8	V213 T214 H215 W241 A270 V271 V273 E278 W298	V213-L225 HydrophobicContact CG1-CB 4.41Å; V213-L225 HydrophobicContact CG1-CD2 4.46Å; T214-L225 CarbonylContact O-C 3.44Å; T214-L225 WeakPolarHBondContact O-CA 3.29Å; H215-L225 HydrophobicContact CB-CD2 3.93Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.98Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.25Å; L225-V271 PolarHBondContact O-N 2.8Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; L225-W298 HydrophobicContact CD1-CB 4.35Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.94Å
226	R	98.1	Very high	95.5	Very high	48 Å²	48	50.8 Å²	50.8	18%	0.181	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	114.3	175	-179.8	-179.5	-65.6	109.4	4.4	110.3	T214 W228 W268 A269 A270	T214-R226 PolarHBondContact N-O 3.05Å; T214-R226 PolarHBondContact O-N 3.43Å; T214-R226 PolarHBondContact OG1-O 2.87Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; R226-A269 WeakPolarHBondContact CA-O 3.35Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.08Å
227	C	98.2	Very high	95.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124	174.5	-173.8	0	0	0	0	109.6	V213 W241 W268 A269 C283	V213-C227 HydrophobicContact CG2-CB 4.36Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.02Å; C227-A269 PolarHBondContact N-O 3.19Å; C227-A269 PolarHBondContact O-N 2.91Å; C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å
228	W	98.3	Very high	95.8	Very high	52 Å²	52	44.8 Å²	44.8	20%	0.197	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	143.1	179.7	-68.6	89.3	0	0	0	110.8	T211 H212 T214 R226 L230 W268	T211-W228 WeakPolarHBondContact CA-O 3.32Å; H212-W228 VanDerWaalsContact CE1-CB 3.47Å; H212-W228 WeakPolarHBondContact CE1-CB 3.46Å; H212-W228 AromaticContact CE1-CD1 3.88Å; H212-W228 AromaticContact CE1-CG 3.69Å; H212-W228 PolarHBondContact N-O 3.27Å; H212-W228 AromaticContact NE2-CD1 3.55Å; H212-W228 AromaticContact NE2-CG 3.83Å; H212-W228 PolarHBondContact O-N 2.67Å; T214-W228 PolarHBondContact OG1-NE1 3.02Å; T214-W228 VanDerWaalsContact OG1-NE1 3.16Å; R226-W228 VanDerWaalsContact CD-CZ2 3.49Å; R226-W228 HydrophobicContact CG-CZ2 4.46Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.75Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 AromaticContact CH2-NE1 4Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å
229	A	98.4	Very high	96.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.8	160.9	0	0	0	0	0	108	P209 T211 F232 I237 L239 Q266 K267	P209-A229 HydrophobicContact CB-CB 3.79Å; T211-A229 HydrophobicContact CG2-CB 4.34Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.76Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; A229-Q266 WeakPolarHBondContact O-CA 3.37Å; A229-K267 PolarHBondContact N-O 2.65Å; A229-K267 PolarHBondContact O-N 3.41Å; A229-K267 VanDerWaalsContact O-O 3.05Å
230	L	98.1	Very high	96.3	Very high	54 Å²	54	40 Å²	40	28%	0.283	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.3	-174.8	-60	177	0	0	0	111.1	K210 W228 Q266	K210-L230 WeakPolarHBondContact CB-O 3.22Å; K210-L230 PolarHBondContact N-O 2.94Å; K210-L230 PolarHBondContact O-N 3.35Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.48Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å
231	G	97.1	Very high	96.7	Very high	15 Å²	15	32.9 Å²	32.9	16%	0.155	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.3	37.7	168.5	0	0	0	0	0	113.8	T264 F265	G231-T264 WeakPolarHBondContact CA-OG1 3.24Å; G231-F265 PolarHBondContact N-O 2.76Å
232	F	96.9	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.4	179.2	58.6	-91	0	0	0	112.9	E207 P209 A229 P234 I237 T257 T264 F265 K267 H287	E207-F232 WeakPolarHBondContact O-CA 3.18Å; E207-F232 VanDerWaalsContact O-CB 3.31Å; E207-F232 WeakPolarHBondContact O-CB 3.16Å; P209-F232 HydrophobicContact CB-CB 3.97Å; P209-F232 HydrophobicContact CB-CD1 3.91Å; P209-F232 HydrophobicContact CB-CG 4.21Å; A229-F232 HydrophobicContact CB-CD1 4.04Å; A229-F232 HydrophobicContact CB-CE1 3.76Å; A229-F232 WeakPolarHBondContact O-CE1 3.39Å; F232-P234 WeakPolarHBondContact CD2-O 3.15Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.46Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.2Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.88Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 3.06Å; F232-F265 PolarHBondContact O-N 3.41Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; F232-H287 AromaticContact CD2-CD2 3.92Å; F232-H287 AromaticContact CD2-NE2 3.7Å
233	Y	95.2	Very high	97.1	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.016	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-153.6	135.8	173.6	178.9	-81.6	0	0	0	108.8	D54 T55 R205 A206 E207 G263 F265 H287	D54-Y233 HydrophobicContact CB-CE2 4Å; T55-Y233 WeakPolarHBondContact OG1-CE2 3.32Å; T55-Y233 PolarHBondContact OG1-OH 3.21Å; R205-Y233 HydrophobicContact CG-CD1 4.17Å; R205-Y233 WeakPolarHBondContact O-CD1 3.48Å; A206-Y233 CarbonylContact C-O 3.55Å; A206-Y233 WeakPolarHBondContact CA-O 3.37Å; E207-Y233 PolarHBondContact N-O 2.95Å; E207-Y233 PolarHBondContact O-N 2.78Å; E207-Y233 VanDerWaalsContact O-N 3.07Å; Y233-G263 WeakPolarHBondContact CD2-O 3.28Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å
234	P	94.8	Very high	97.1	Very high	16 Å²	16	31.6 Å²	31.6	10%	0.104	16%	0.161	C	C	.	.	S	Bend	cis	-70.1	179	1.9	30.7	-37.5	0	0	0	113.3	D54 F232 H287 E288	D54-P234 VanDerWaalsContact OD2-CB 3.29Å; D54-P234 WeakPolarHBondContact OD2-CB 3.4Å; F232-P234 WeakPolarHBondContact CD2-O 3.15Å; P234-H287 PolarHBondContact O-NE2 3.22Å; P234-E288 WeakPolarHBondContact CD-OE2 3.15Å; P234-E288 HydrophobicContact CG-CB 4.45Å; P234-E288 WeakPolarHBondContact CG-OE2 3.49Å
235	A	96.1	Very high	96.8	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	18%	0.177	C	C	.	.	S	Bend	trans	-72.8	-24	-176	0	0	0	0	0	114.1	D54 I237 T257 F265	D54-A235 HydrophobicContact CB-CB 4.37Å; D54-A235 VanDerWaalsContact CG-CB 3.48Å; D54-A235 WeakPolarHBondContact OD2-CB 3.29Å; D54-A235 PolarHBondContact OD2-N 3.41Å; A235-I237 PolarHBondContact O-N 3.5Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.17Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.77Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.78Å
236	E	95.4	Very high	96.7	Very high	122 Å²	122	39.9 Å²	39.9	57%	0.57	21%	0.211	S	C	*	.			trans	-64.6	120	178.7	-170.4	52.6	-129.8	0	0	110	W23 H287	W23-E236 HydrophobicContact CH2-CB 4.28Å; W23-E236 HydrophobicContact CH2-CG 3.81Å; W23-E236 WeakPolarHBondContact CH2-O 3.03Å; W23-E236 HydrophobicContact CZ2-CG 4.47Å; W23-E236 HydrophobicContact CZ3-CB 4.22Å; W23-E236 HydrophobicContact CZ3-CG 4.15Å; W23-E236 WeakPolarHBondContact CZ3-O 3.49Å; E236-H287 PolarHBondContact O-CD2 2.81Å
237	I	96.4	Very high	96.6	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.036	23%	0.226	C	C	.	.			trans	-157.3	135.8	-176.4	-163.4	172.6	0	0	0	110.3	P209 A229 F232 A235 L239 K267 V285 Q286 H287	P209-I237 HydrophobicContact CB-CD1 3.98Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; A229-I237 HydrophobicContact CB-CD1 3.73Å; F232-I237 HydrophobicContact CD1-CD1 3.87Å; F232-I237 HydrophobicContact CD2-CB 4.32Å; F232-I237 HydrophobicContact CD2-CD1 3.94Å; F232-I237 HydrophobicContact CE1-CD1 3.78Å; F232-I237 HydrophobicContact CE1-CG2 4.46Å; F232-I237 HydrophobicContact CE2-CB 3.8Å; F232-I237 HydrophobicContact CE2-CD1 3.88Å; F232-I237 HydrophobicContact CE2-CG1 4.42Å; F232-I237 HydrophobicContact CE2-CG2 3.56Å; F232-I237 HydrophobicContact CG-CD1 3.97Å; F232-I237 HydrophobicContact CZ-CB 4.2Å; F232-I237 HydrophobicContact CZ-CD1 3.82Å; F232-I237 HydrophobicContact CZ-CG2 3.55Å; A235-I237 PolarHBondContact O-N 3.5Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.71Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å
238	T	97.4	Very high	96.4	Very high	50 Å²	50	43.3 Å²	43.3	31%	0.307	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.2	175.6	-62.6	0	0	0	0	109.8	T240 V285 Q286	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 2.83Å
239	L	97.8	Very high	96	Very high	5 Å²	5	45.9 Å²	45.9	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.9	170.8	-89.4	63.1	0	0	0	108.2	A229 I237 L254 K267 A269 H284 V285	A229-L239 HydrophobicContact CB-CD1 3.99Å; A229-L239 HydrophobicContact CB-CD2 4.2Å; I237-L239 HydrophobicContact CD1-CD1 3.72Å; I237-L239 HydrophobicContact CG1-CD1 3.71Å; I237-L239 HydrophobicContact CG2-CD1 4.18Å; L239-L254 HydrophobicContact CB-CD1 4.09Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; L239-H284 WeakPolarHBondContact CA-O 3.02Å; L239-V285 HydrophobicContact CD1-CG1 4.01Å; L239-V285 HydrophobicContact CD1-CG2 4.43Å; L239-V285 HydrophobicContact CG-CG2 4.27Å
240	T	97.6	Very high	95.6	Very high	41 Å²	41	55 Å²	55	25%	0.252	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.1	175.8	52.8	0	0	0	0	111.4	T238 C283 H284	T238-T240 HydrophobicContact CG2-CG2 4.04Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; T240-H284 PolarHBondContact N-O 3.12Å; T240-H284 PolarHBondContact O-N 2.76Å
241	W	98.1	Very high	95.1	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.3	168.3	-82.8	106.7	0	0	0	110	V213 L225 C227 Q248 A269 V271 C283	V213-W241 HydrophobicContact CG1-CH2 3.85Å; V213-W241 HydrophobicContact CG1-CZ2 4.29Å; V213-W241 HydrophobicContact CG2-CH2 4.3Å; L225-W241 HydrophobicContact CB-CH2 3.68Å; L225-W241 HydrophobicContact CB-CZ2 3.75Å; L225-W241 HydrophobicContact CB-CZ3 4.5Å; L225-W241 HydrophobicContact CD1-CH2 3.98Å; L225-W241 HydrophobicContact CD1-CZ3 4.17Å; L225-W241 HydrophobicContact CG-CH2 4.48Å; C227-W241 HydrophobicContact CB-CH2 4.43Å; C227-W241 HydrophobicContact CB-CZ2 3.62Å; W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.8Å; W241-A269 PolarHBondContact NE1-O 2.99Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å
242	Q	97.8	Very high	95	Very high	38 Å²	38	58.2 Å²	58.2	18%	0.178	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.9	171.3	-73.4	-177.5	-8.1	0	0	110.6	E246 D247 Y281 T282 H284	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.03Å; Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.02Å; Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-T282 PolarHBondContact O-OG1 2.04Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.31Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 2.77Å
243	R	97.1	Very high	95	Very high	70 Å²	70	63.5 Å²	63.5	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117.2	168.9	-174.4	-171.5	-172.6	179.3	1.6	108.2	G245 E246 Q248 E277 R280 Y281	R243-G245 PolarHBondContact O-N 3.06Å; R243-E246 PolarHBondContact N-O 3.45Å; R243-E246 PolarHBondContact O-N 3.19Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-E277 IonicContact CZ-OE2 3.74Å; R243-E277 IonicContact NE-OE2 3.91Å; R243-E277 IonicContact NH2-OE1 2.99Å; R243-E277 IonicContact NH2-OE2 2.76Å; R243-E277 PolarHBondContact NH2-OE2 2.94Å; R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.33Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; R243-Y281 PolarHBondContact NE-OH 3.04Å
244	D	94.8	Very high	95.1	Very high	103 Å²	103	67.6 Å²	67.6	55%	0.551	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	21.8	-175.1	-53.6	-52.8	0	0	0	115.4	R280	D244-R280 PolarHBondContact N-O 2.92Å; D244-R280 WeakPolarHBondContact OD1-CB 3.18Å; D244-R280 IonicContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 3.38Å; D244-R280 IonicContact OD2-NE 2.75Å; D244-R280 PolarHBondContact OD2-NE 2.89Å; D244-R280 IonicContact OD2-NH2 3.56Å; D244-R280 PolarHBondContact OD2-NH2 3.34Å
245	G	91.4	Very high	95.2	Very high	47 Å²	47	68.4 Å²	68.4	49%	0.485	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-4.2	-176.7	0	0	0	0	0	115.5	R243	R243-G245 PolarHBondContact O-N 3.06Å
246	E	95.6	Very high	95.2	Very high	149 Å²	149	76 Å²	76	70%	0.696	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.7	176.7	-62.3	-173.4	166.4	0	0	111.7	Q242 R243 Q248	Q242-E246 CarbonylContact C-O 3.6Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.46Å; R243-E246 PolarHBondContact N-O 3.45Å; R243-E246 PolarHBondContact O-N 3.19Å; E246-Q248 PolarHBondContact O-N 2.98Å; E246-Q248 PolarHBondContact O-NE2 3.43Å
247	D	95.6	Very high	95.3	Very high	95 Å²	95	72.3 Å²	72.3	51%	0.508	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	131.4	-179.3	-68.4	-31	0	0	0	112.5	Q242	Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.03Å
248	Q	95.3	Very high	95.4	Very high	25 Å²	25	76.7 Å²	76.7	12%	0.117	40%	0.397	C	S	.	.			trans	-101	37.8	-176.5	-55.2	-62.6	-83.4	0	0	112	W241 R243 E246 Q250 D251 T252 Y281	W241-Q248 HydrophobicContact CB-CB 4.28Å; W241-Q248 PolarHBondContact O-N 2.8Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-N 2.98Å; E246-Q248 PolarHBondContact O-NE2 3.43Å; Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.87Å; Q248-D251 PolarHBondContact O-N 3.12Å; Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.75Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å
249	T	89.5	Confident	95.4	Very high	106 Å²	106	78.7 Å²	78.7	65%	0.65	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.5	-167.1	-48	0	0	0	0	114.3
250	Q	89.8	Confident	95.3	Very high	193 Å²	193	80.9 Å²	80.9	90%	0.902	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-32.2	-179.9	-64	-173.6	10.4	0	0	112.7	Q248	Q248-Q250 VanDerWaalsContact C-N 3.3Å; Q248-Q250 PolarHBondContact O-N 2.87Å
251	D	87.8	Confident	95.1	Very high	112 Å²	112	82.5 Å²	82.5	60%	0.599	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	2.4	-178.5	-52.3	-66.4	0	0	0	112.7	Q248	Q248-D251 PolarHBondContact O-N 3.12Å
252	T	95.1	Very high	94.8	Very high	23 Å²	23	87.8 Å²	87.8	14%	0.141	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	117.5	179.7	-63.9	0	0	0	0	111.5	Q248 L254 A269 A270	Q248-T252 WeakPolarHBondContact O-CB 3.42Å; Q248-T252 PolarHBondContact O-N 3.1Å; Q248-T252 VanDerWaalsContact O-N 3.09Å; Q248-T252 PolarHBondContact O-OG1 2.75Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.36Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.29Å
253	E	97	Very high	94.4	Very high	112 Å²	112	87.9 Å²	87.9	52%	0.523	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	102.2	163.2	-174.1	-171.7	-163.5	0	0	109.1	W268 A269 A270	E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 VanDerWaalsContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.06Å; E253-A270 PolarHBondContact O-N 3.15Å
254	L	96.9	Very high	94.4	Very high	90 Å²	90	85 Å²	85	47%	0.471	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	119.9	177.5	-174.8	69.6	0	0	0	110.2	L239 T252 K267 A269	L239-L254 HydrophobicContact CB-CD1 4.09Å; T252-L254 HydrophobicContact CG2-CB 4.34Å; T252-L254 PolarHBondContact O-N 3.36Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
255	V	96.9	Very high	94.5	Very high	33 Å²	33	81.3 Å²	81.3	20%	0.2	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-83.9	153.4	175.1	-64	0	0	0	0	112.6	K267 W268	V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.29Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 VanDerWaalsContact CG1-CE2 3.47Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.17Å; V255-W268 HydrophobicContact CG2-CD2 3.84Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.68Å
256	E	96.8	Very high	94.9	Very high	172 Å²	172	81.1 Å²	81.1	80%	0.804	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-55.2	147.9	166.1	-67.3	-175.5	168.8	0	0	111.2	R258	E256-R258 PolarHBondContact O-N 3.24Å
257	T	97.8	Very high	95	Very high	46 Å²	46	75.1 Å²	75.1	28%	0.282	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-70.5	127.9	174.5	-55.5	0	0	0	0	108.5	F232 A235 F265 K267	F232-T257 HydrophobicContact CE2-CG2 4.02Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.32Å; A235-T257 WeakPolarHBondContact O-CG2 3.17Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.81Å
258	R	97.2	Very high	95.1	Very high	99 Å²	99	71.7 Å²	71.7	37%	0.374	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	144.5	-174.5	70.1	-165.5	-177.1	-171	3	111.4	E256 Q266	E256-R258 PolarHBondContact O-N 3.24Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.35Å; R258-Q266 VanDerWaalsContact NE-CD 3.25Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.43Å
259	P	96.9	Very high	95.3	Very high	91 Å²	91	70.5 Å²	70.5	59%	0.591	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.8	177.8	28	-34.8	0	0	0	111.3	F265 Q266	P259-F265 HydrophobicContact CB-CD1 4.42Å; P259-F265 HydrophobicContact CB-CE1 4.17Å; P259-Q266 PolarHBondContact O-NE2 3.46Å
260	A	96.3	Very high	95.7	Very high	51 Å²	51	65.6 Å²	65.6	42%	0.421	37%	0.366	S	S	.	.			trans	-89.5	-19.3	171.1	0	0	0	0	0	112.8	T264 Q266	A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.27Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
261	G	92.7	Very high	96.1	Very high	75 Å²	75	56.5 Å²	56.5	77%	0.773	32%	0.324	S	S	*	.	S	Bend	trans	98.1	-8.9	178.3	0	0	0	0	0	115
262	D	92	Very high	96.5	Very high	114 Å²	114	54.8 Å²	54.8	61%	0.61	32%	0.317	S	S	*	.	S	Bend	trans	-99.5	7.3	174.8	59.5	2.9	0	0	0	113.3	T264	D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.88Å; D262-T264 PolarHBondContact OD1-OG1 2.9Å; D262-T264 PolarHBondContact OD2-OG1 3.43Å
263	G	90.9	Very high	96.6	Very high	40 Å²	40	53.7 Å²	53.7	41%	0.412	31%	0.31	S	S	.	.	S	Bend	trans	90.5	2.6	-172.4	0	0	0	0	0	114.4	Y233	Y233-G263 WeakPolarHBondContact CD2-O 3.28Å
264	T	96.1	Very high	96.5	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	30%	0.3	C	S	.	.			trans	-106.2	172.6	171.6	74.3	0	0	0	0	112.2	G231 F232 A260 D262	G231-T264 WeakPolarHBondContact CA-OG1 3.24Å; F232-T264 CarbonylContact O-C 3.58Å; F232-T264 WeakPolarHBondContact O-CA 3.49Å; A260-T264 WeakPolarHBondContact CB-O 3.42Å; A260-T264 PolarHBondContact N-O 3.27Å; D262-T264 WeakPolarHBondContact OD1-CB 3.5Å; D262-T264 PolarHBondContact OD1-N 2.88Å; D262-T264 PolarHBondContact OD1-OG1 2.9Å; D262-T264 PolarHBondContact OD2-OG1 3.43Å
265	F	97.9	Very high	96.2	Very high	27 Å²	27	49.1 Å²	49.1	12%	0.118	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	163.7	-176.9	-65.3	-84.5	0	0	0	112.6	D54 G231 F232 Y233 A235 T257 P259	D54-F265 HydrophobicContact CB-CE2 3.74Å; D54-F265 HydrophobicContact CB-CZ 3.74Å; G231-F265 PolarHBondContact N-O 2.76Å; F232-F265 WeakPolarHBondContact CD1-O 3.45Å; F232-F265 HydrophobicContact CD2-CB 3.88Å; F232-F265 HydrophobicContact CE1-CB 4.34Å; F232-F265 WeakPolarHBondContact CE1-O 3.45Å; F232-F265 HydrophobicContact CE2-CB 3.45Å; F232-F265 VanDerWaalsContact CE2-CB 3.45Å; F232-F265 HydrophobicContact CE2-CG 4.5Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.69Å; F232-F265 PolarHBondContact N-O 3.06Å; F232-F265 PolarHBondContact O-N 3.41Å; Y233-F265 HydrophobicContact CD2-CD2 4.46Å; Y233-F265 HydrophobicContact CD2-CE2 4.04Å; Y233-F265 HydrophobicContact CE2-CE2 4.49Å; A235-F265 HydrophobicContact CB-CD1 3.75Å; A235-F265 HydrophobicContact CB-CD2 3.68Å; A235-F265 HydrophobicContact CB-CE1 3.77Å; A235-F265 HydrophobicContact CB-CE2 3.72Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.78Å; T257-F265 HydrophobicContact CG2-CB 3.83Å; T257-F265 HydrophobicContact CG2-CD1 4Å; T257-F265 HydrophobicContact CG2-CG 4.2Å; P259-F265 HydrophobicContact CB-CD1 4.42Å; P259-F265 HydrophobicContact CB-CE1 4.17Å
266	Q	98.1	Very high	95.9	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	144.3	176.2	39.5	162.6	-24.6	0	0	110.1	A229 L230 R258 P259 A260	A229-Q266 WeakPolarHBondContact O-CA 3.37Å; L230-Q266 HydrophobicContact CD2-CB 3.6Å; R258-Q266 HydrophobicContact CG-CG 3.67Å; R258-Q266 PolarHBondContact N-O 3.35Å; R258-Q266 VanDerWaalsContact NE-CD 3.25Å; R258-Q266 VanDerWaalsContact O-CG 3.31Å; R258-Q266 WeakPolarHBondContact O-CG 3.43Å; R258-Q266 PolarHBondContact O-N 3.43Å; P259-Q266 PolarHBondContact O-NE2 3.46Å; A260-Q266 HydrophobicContact CB-CG 4.48Å
267	K	98.5	Very high	95.8	Very high	22 Å²	22	45 Å²	45	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	157.2	177.3	-161	-175.4	-169.6	65.8	0	109.1	A229 F232 I237 L239 L254 V255 T257	A229-K267 PolarHBondContact N-O 2.65Å; A229-K267 PolarHBondContact O-N 3.41Å; A229-K267 VanDerWaalsContact O-O 3.05Å; F232-K267 HydrophobicContact CE1-CB 4.41Å; F232-K267 HydrophobicContact CZ-CB 4.09Å; I237-K267 HydrophobicContact CG2-CB 4.24Å; I237-K267 HydrophobicContact CG2-CD 3.55Å; L239-K267 HydrophobicContact CD1-CD 4.31Å; L239-K267 HydrophobicContact CD2-CB 4.35Å; L239-K267 HydrophobicContact CD2-CG 4.43Å; L254-K267 HydrophobicContact CD1-CD 4.49Å; V255-K267 HydrophobicContact CG2-CG 4.44Å; V255-K267 WeakPolarHBondContact O-CE 3.43Å; V255-K267 WeakPolarHBondContact O-CG 3.41Å; V255-K267 PolarHBondContact O-NZ 3.29Å; T257-K267 WeakPolarHBondContact OG1-CD 3.4Å; T257-K267 PolarHBondContact OG1-NZ 2.81Å
268	W	98.3	Very high	95.7	Very high	24 Å²	24	43.7 Å²	43.7	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	157.2	168.3	57.9	-97	0	0	0	111.7	R226 C227 W228 E253 V255 A270	R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.03Å; R226-W268 HydrophobicContact CG-CE3 3.79Å; R226-W268 HydrophobicContact CG-CG 4.18Å; C227-W268 CarbonylContact O-C 3.54Å; C227-W268 WeakPolarHBondContact O-CA 3.46Å; C227-W268 WeakPolarHBondContact O-CB 3.02Å; W228-W268 HydrophobicContact CD2-CB 3.96Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.88Å; W228-W268 AromaticContact CE3-CD1 3.75Å; W228-W268 HydrophobicContact CE3-CG 4.11Å; W228-W268 HydrophobicContact CG-CB 4.35Å; W228-W268 AromaticContact CH2-CD1 3.67Å; W228-W268 HydrophobicContact CH2-CG 4.32Å; W228-W268 AromaticContact CH2-NE1 4Å; W228-W268 HydrophobicContact CZ3-CB 4.35Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.08Å; E253-W268 HydrophobicContact CB-CZ3 4.29Å; E253-W268 HydrophobicContact CG-CH2 3.99Å; E253-W268 HydrophobicContact CG-CZ3 3.86Å; E253-W268 VanDerWaalsContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.28Å; E253-W268 WeakPolarHBondContact OE2-CZ3 3.47Å; V255-W268 HydrophobicContact CG1-CD2 4.02Å; V255-W268 VanDerWaalsContact CG1-CE2 3.47Å; V255-W268 HydrophobicContact CG1-CE3 4.31Å; V255-W268 HydrophobicContact CG1-CH2 3.72Å; V255-W268 HydrophobicContact CG1-CZ2 3.34Å; V255-W268 HydrophobicContact CG1-CZ3 4.17Å; V255-W268 HydrophobicContact CG2-CD2 3.84Å; V255-W268 HydrophobicContact CG2-CG 3.78Å; V255-W268 WeakPolarHBondContact CG2-O 3.4Å; V255-W268 PolarHBondContact N-O 2.68Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
269	A	98.3	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.5	173.4	0	0	0	0	0	108.4	R226 C227 L239 W241 T252 E253 L254	R226-A269 WeakPolarHBondContact CA-O 3.35Å; C227-A269 PolarHBondContact N-O 3.19Å; C227-A269 PolarHBondContact O-N 2.91Å; L239-A269 HydrophobicContact CB-CB 4.06Å; L239-A269 HydrophobicContact CD2-CB 4.32Å; W241-A269 PolarHBondContact NE1-O 2.99Å; T252-A269 HydrophobicContact CG2-CB 3.93Å; E253-A269 CarbonylContact O-C 3.57Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; L254-A269 HydrophobicContact CD1-CB 3.69Å
270	A	97.9	Very high	95.5	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.7	178.3	0	0	0	0	0	112	T224 L225 R226 T252 E253 W268	T224-A270 HydrophobicContact CG2-CB 3.89Å; L225-A270 CarbonylContact O-C 3.54Å; L225-A270 WeakPolarHBondContact O-CA 3.28Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.08Å; T252-A270 CarbonylContact C-O 3.52Å; T252-A270 VanDerWaalsContact CA-O 3.31Å; T252-A270 WeakPolarHBondContact CA-O 3.29Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 3.06Å; E253-A270 PolarHBondContact O-N 3.15Å; W268-A270 HydrophobicContact CE3-CB 3.92Å; W268-A270 HydrophobicContact CZ3-CB 3.62Å
271	V	97.8	Very high	95.5	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.3	176.4	62.8	0	0	0	0	109.1	T224 L225 W241 V273 Y281	T224-V271 WeakPolarHBondContact CA-O 3.5Å; L225-V271 HydrophobicContact CB-CG1 4.28Å; L225-V271 PolarHBondContact N-O 3.25Å; L225-V271 PolarHBondContact O-N 2.8Å; W241-V271 HydrophobicContact CB-CG1 4.32Å; W241-V271 HydrophobicContact CD2-CB 4.5Å; W241-V271 HydrophobicContact CD2-CG1 3.58Å; W241-V271 HydrophobicContact CE3-CG1 4.03Å; W241-V271 HydrophobicContact CG-CB 4.15Å; W241-V271 HydrophobicContact CG-CG1 3.72Å; W241-V271 HydrophobicContact CZ2-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V271-Y281 HydrophobicContact CG1-CD1 4.12Å; V271-Y281 HydrophobicContact CG2-CD1 4.5Å; V271-Y281 HydrophobicContact CG2-CE1 4.17Å
272	V	97.2	Very high	95.7	Very high	75 Å²	75	38.6 Å²	38.6	46%	0.455	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129	171.6	-175.1	0	0	0	0	108	E222	E222-V272 HydrophobicContact CB-CG1 4.11Å; E222-V272 HydrophobicContact CG-CG1 4.34Å
273	V	96.2	Very high	96	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.2	-176.4	-50.8	0	0	0	0	110.7	E222 A223 L225 V271 E278 Y281	E222-V273 WeakPolarHBondContact CA-O 3.36Å; A223-V273 PolarHBondContact N-O 2.84Å; A223-V273 PolarHBondContact O-N 3.16Å; L225-V273 HydrophobicContact CD1-CG1 3.99Å; L225-V273 HydrophobicContact CD1-CG2 4.11Å; L225-V273 HydrophobicContact CG-CG1 4.12Å; L225-V273 HydrophobicContact CG-CG2 3.87Å; V271-V273 HydrophobicContact CG1-CG1 3.84Å; V271-V273 HydrophobicContact CG2-CG1 4.48Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274	P	95.8	Very high	96.3	Very high	46 Å²	46	33.7 Å²	33.7	30%	0.299	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	140.1	170.1	-20.2	32.4	0	0	0	111.3	H221 G276 E277	H221-P274 CarbonylContact O-C 3.58Å; H221-P274 WeakPolarHBondContact O-CA 3.43Å; P274-G276 PolarHBondContact O-N 3.13Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.29Å; P274-E277 PolarHBondContact O-N 2.72Å
275	S	91.6	Very high	96.4	Very high	59 Å²	59	33.3 Å²	33.3	41%	0.413	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	129.9	177.4	-62.2	0	0	0	0	111.6	H221 E222 E277 E278	H221-S275 PolarHBondContact O-N 3.07Å; H221-S275 PolarHBondContact O-OG 2.91Å; E222-S275 PolarHBondContact N-OG 3.1Å; S275-E277 VanDerWaalsContact C-N 3.34Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å
276	G	90.6	Very high	96.4	Very high	67 Å²	67	35.2 Å²	35.2	69%	0.691	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.7	-7.7	-174.3	0	0	0	0	0	114.8	P274 E278	P274-G276 PolarHBondContact O-N 3.13Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.05Å; G276-E278 PolarHBondContact N-OE2 3.04Å; G276-E278 VanDerWaalsContact N-OE2 3.11Å
277	E	94.4	Very high	96.2	Very high	51 Å²	51	33.6 Å²	33.6	24%	0.238	19%	0.186	C	C	.	.			trans	-96.9	0.8	175.3	-69	-156.3	-148.1	0	0	114	R243 P274 S275 Q279 R280 Y281	R243-E277 IonicContact CZ-OE2 3.74Å; R243-E277 IonicContact NE-OE2 3.91Å; R243-E277 IonicContact NH2-OE1 2.99Å; R243-E277 IonicContact NH2-OE2 2.76Å; R243-E277 PolarHBondContact NH2-OE2 2.94Å; P274-E277 HydrophobicContact CB-CB 4.27Å; P274-E277 HydrophobicContact CB-CG 4.1Å; P274-E277 HydrophobicContact CG-CG 4.5Å; P274-E277 WeakPolarHBondContact O-CB 3.29Å; P274-E277 PolarHBondContact O-N 2.72Å; S275-E277 VanDerWaalsContact C-N 3.34Å; E277-Q279 PolarHBondContact O-N 2.99Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 3.7Å; E277-R280 VanDerWaalsContact OE2-CD 3.3Å; E277-R280 WeakPolarHBondContact OE2-CD 3.46Å; E277-R280 IonicContact OE2-CZ 2.83Å; E277-R280 IonicContact OE2-NE 3.3Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å
278	E	94.1	Very high	95.9	Very high	19 Å²	19	36 Å²	36	9%	0.089	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-57.3	-29.3	-169.7	-53.6	81.1	-175.6	0	0	113.1	L225 V273 S275 G276 R280 Y281 W298	L225-E278 HydrophobicContact CD1-CB 4.1Å; L225-E278 HydrophobicContact CD2-CB 4.44Å; L225-E278 HydrophobicContact CD2-CG 4.33Å; V273-E278 HydrophobicContact CG2-CG 3.89Å; S275-E278 WeakPolarHBondContact CA-OE1 3.21Å; G276-E278 WeakPolarHBondContact CA-OE2 3.27Å; G276-E278 VanDerWaalsContact N-CD 3.28Å; G276-E278 PolarHBondContact N-OE1 3.05Å; G276-E278 PolarHBondContact N-OE2 3.04Å; G276-E278 VanDerWaalsContact N-OE2 3.11Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.09Å; E278-Y281 PolarHBondContact O-N 3.37Å; E278-W298 HydrophobicContact CB-CD2 4.35Å; E278-W298 HydrophobicContact CB-CE3 3.35Å; E278-W298 HydrophobicContact CB-CZ3 3.69Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.65Å
279	Q	94.3	Very high	95.5	Very high	93 Å²	93	35.8 Å²	35.8	44%	0.435	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-73.1	-15.2	179	-62.4	-55.7	-46.3	0	0	114.6	E277 Y281 R297 W298	E277-Q279 PolarHBondContact O-N 2.99Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å; Q279-R297 PolarHBondContact O-NH1 3.31Å; Q279-W298 PolarHBondContact NE2-O 3.17Å
280	R	95.8	Very high	95.3	Very high	102 Å²	102	37 Å²	37	39%	0.385	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-77.1	-18.4	171.8	-62.6	174.4	69.9	175.4	5.8	112	R243 D244 E277 E278	R243-R280 WeakPolarHBondContact CA-O 3.44Å; R243-R280 HydrophobicContact CG-CB 4.33Å; D244-R280 PolarHBondContact N-O 2.92Å; D244-R280 WeakPolarHBondContact OD1-CB 3.18Å; D244-R280 IonicContact OD1-NE 2.7Å; D244-R280 IonicContact OD2-CZ 3.38Å; D244-R280 IonicContact OD2-NE 2.75Å; D244-R280 PolarHBondContact OD2-NE 2.89Å; D244-R280 IonicContact OD2-NH2 3.56Å; D244-R280 PolarHBondContact OD2-NH2 3.34Å; E277-R280 VanDerWaalsContact O-CB 3.32Å; E277-R280 WeakPolarHBondContact O-CB 3.44Å; E277-R280 PolarHBondContact O-N 3.35Å; E277-R280 IonicContact OE1-NH1 3.7Å; E277-R280 VanDerWaalsContact OE2-CD 3.3Å; E277-R280 WeakPolarHBondContact OE2-CD 3.46Å; E277-R280 IonicContact OE2-CZ 2.83Å; E277-R280 IonicContact OE2-NE 3.3Å; E277-R280 IonicContact OE2-NH1 2.66Å; E277-R280 PolarHBondContact OE2-NH1 2.99Å; E278-R280 VanDerWaalsContact C-N 3.29Å; E278-R280 PolarHBondContact O-N 3.09Å
281	Y	97	Very high	95	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.027	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.7	-176.4	-67.8	-98.3	0	0	0	111.7	Q242 R243 Q248 V271 V273 E277 E278 Q279	Q242-Y281 CarbonylContact O-C 3.55Å; Q242-Y281 VanDerWaalsContact O-CA 3.3Å; Q242-Y281 WeakPolarHBondContact O-CA 3.02Å; R243-Y281 HydrophobicContact CB-CD1 4.07Å; R243-Y281 HydrophobicContact CB-CE1 3.86Å; R243-Y281 WeakPolarHBondContact CD-OH 3.48Å; R243-Y281 HydrophobicContact CG-CD1 4.38Å; R243-Y281 HydrophobicContact CG-CD2 4.48Å; R243-Y281 HydrophobicContact CG-CE1 3.99Å; R243-Y281 HydrophobicContact CG-CE2 4.08Å; R243-Y281 PolarHBondContact NE-OH 3.04Å; Q248-Y281 HydrophobicContact CG-CE1 4.35Å; V271-Y281 HydrophobicContact CG1-CD1 4.12Å; V271-Y281 HydrophobicContact CG2-CD1 4.5Å; V271-Y281 HydrophobicContact CG2-CE1 4.17Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.73Å; V273-Y281 HydrophobicContact CG1-CD2 3.6Å; V273-Y281 HydrophobicContact CG1-CE1 3.67Å; V273-Y281 HydrophobicContact CG1-CE2 3.57Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; E277-Y281 HydrophobicContact CB-CE2 4.34Å; E277-Y281 WeakPolarHBondContact O-CD2 3.5Å; E278-Y281 PolarHBondContact O-N 3.37Å; Q279-Y281 VanDerWaalsContact C-N 3.29Å
282	T	97.6	Very high	94.7	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.043	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.5	175.8	39.9	0	0	0	0	110.5	Q242 H284 T295 L296 R297	Q242-T282 PolarHBondContact N-O 2.75Å; Q242-T282 PolarHBondContact O-N 3.34Å; Q242-T282 PolarHBondContact O-OG1 2.04Å; T282-H284 PolarHBondContact OG1-NE2 3.26Å; T282-T295 HydrophobicContact CG2-CG2 3.68Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; T282-R297 HydrophobicContact CG2-CG 3.57Å; T282-R297 VanDerWaalsContact CG2-NE 3.27Å
283	C	97.9	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.1	166.9	173.2	0	0	0	0	109.2	C227 T240 W241 T295 L296	C227-C283 HydrophobicContact CB-CB 3.48Å; C227-C283 VanDerWaalsContact CB-CB 3.48Å; C227-C283 WeakPolarHBondContact CB-SG 3.47Å; C227-C283 WeakPolarHBondContact SG-CB 3.49Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å; T240-C283 CarbonylContact O-C 3.54Å; T240-C283 WeakPolarHBondContact O-CA 3.36Å; W241-C283 HydrophobicContact CD2-CB 4.09Å; W241-C283 HydrophobicContact CE3-CB 4Å; W241-C283 HydrophobicContact CH2-CB 3.95Å; W241-C283 HydrophobicContact CZ2-CB 4.04Å; W241-C283 HydrophobicContact CZ3-CB 3.93Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.05Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.42Å; C283-L296 PolarHBondContact O-N 2.85Å
284	H	97.6	Very high	94.6	Very high	51 Å²	51	53.5 Å²	53.5	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.8	175.8	-63.2	-98	0	0	0	109.8	L239 T240 Q242 T282 L294 T295	L239-H284 WeakPolarHBondContact CA-O 3.02Å; T240-H284 PolarHBondContact N-O 3.12Å; T240-H284 PolarHBondContact O-N 2.76Å; Q242-H284 WeakPolarHBondContact CB-NE2 3.31Å; Q242-H284 WeakPolarHBondContact CG-NE2 3.29Å; Q242-H284 PolarHBondContact OE1-NE2 2.77Å; T282-H284 PolarHBondContact OG1-NE2 3.26Å; H284-L294 CarbonylContact C-O 3.6Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.46Å; H284-T295 PolarHBondContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.12Å
285	V	97.8	Very high	94.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.9	-176.6	-175.1	0	0	0	0	109.5	P209 T211 I237 T238 L239 L290 P293 L294 L296	P209-V285 HydrophobicContact CG-CG1 3.9Å; T211-V285 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CG1 4.1Å; T211-V285 HydrophobicContact CG2-CG2 4.02Å; I237-V285 HydrophobicContact CD1-CG1 4.04Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.39Å; L239-V285 HydrophobicContact CD1-CG1 4.01Å; L239-V285 HydrophobicContact CD1-CG2 4.43Å; L239-V285 HydrophobicContact CG-CG2 4.27Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; V285-P293 WeakPolarHBondContact O-CA 3.38Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.21Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
286	Q	97	Very high	94.9	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.318	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.5	175.4	-55.1	177	8.2	0	0	109.5	I237 T238 P293	I237-Q286 VanDerWaalsContact CG1-O 3.32Å; I237-Q286 WeakPolarHBondContact CG1-O 3.39Å; T238-Q286 PolarHBondContact N-O 2.93Å; T238-Q286 PolarHBondContact O-N 2.83Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
287	H	95.4	Very high	95.1	Very high	9 Å²	9	57.7 Å²	57.7	4%	0.042	29%	0.291	C	S	.	.			trans	-160.7	149.5	-175.1	-173.6	-101.7	0	0	0	110.3	E207 P209 F232 Y233 P234 E236 I237 G289 L290	E207-H287 PolarHBondContact O-CE1 3.12Å; P209-H287 HydrophobicContact CG-CB 4.15Å; F232-H287 AromaticContact CD2-CD2 3.92Å; F232-H287 AromaticContact CD2-NE2 3.7Å; Y233-H287 PolarHBondContact O-CE1 3.37Å; Y233-H287 VanDerWaalsContact O-CE1 3.24Å; P234-H287 PolarHBondContact O-NE2 3.22Å; E236-H287 PolarHBondContact O-CD2 2.81Å; I237-H287 HydrophobicContact CD1-CB 4.29Å; I237-H287 HydrophobicContact CG1-CB 4.06Å; H287-G289 PolarHBondContact ND1-N 3.46Å; H287-G289 PolarHBondContact O-N 2.84Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.27Å; H287-L290 PolarHBondContact O-N 2.97Å; H287-L290 VanDerWaalsContact O-N 3.08Å
288	E	90.9	Very high	95	Very high	73 Å²	73	58.5 Å²	58.5	34%	0.341	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.1	179.7	-158.8	-179	154.3	0	0	113.5	W23 A206 P234 L290	W23-E288 HydrophobicContact CB-CG 4.29Å; W23-E288 HydrophobicContact CE3-CB 3.67Å; W23-E288 HydrophobicContact CE3-CG 4.34Å; W23-E288 VanDerWaalsContact CE3-N 3.29Å; W23-E288 HydrophobicContact CZ3-CB 4.21Å; W23-E288 VanDerWaalsContact CZ3-N 3.35Å; W23-E288 WeakPolarHBondContact O-CG 3.4Å; A206-E288 HydrophobicContact CB-CB 4.24Å; A206-E288 HydrophobicContact CB-CG 4.33Å; P234-E288 WeakPolarHBondContact CD-OE2 3.15Å; P234-E288 HydrophobicContact CG-CB 4.45Å; P234-E288 WeakPolarHBondContact CG-OE2 3.49Å; E288-L290 PolarHBondContact O-N 3.12Å
289	G	90.3	Very high	94.3	Very high	19 Å²	19	59.4 Å²	59.4	20%	0.196	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.3	-177.3	0	0	0	0	0	114.2	H287	H287-G289 PolarHBondContact ND1-N 3.46Å; H287-G289 PolarHBondContact O-N 2.84Å
290	L	93.2	Very high	92.6	Very high	25 Å²	25	60.4 Å²	60.4	13%	0.131	32%	0.321	C	S	.	.			trans	-100	125.8	178.6	-64.6	173.1	0	0	0	110.3	H208 P209 V285 H287 E288 E292 L294	H208-L290 HydrophobicContact CB-CD2 3.94Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.37Å; P209-L290 HydrophobicContact CG-CG 4.21Å; V285-L290 HydrophobicContact CG1-CD1 4.21Å; H287-L290 HydrophobicContact CB-CD1 3.95Å; H287-L290 HydrophobicContact CB-CG 4.14Å; H287-L290 WeakPolarHBondContact O-CB 3.27Å; H287-L290 PolarHBondContact O-N 2.97Å; H287-L290 VanDerWaalsContact O-N 3.08Å; E288-L290 PolarHBondContact O-N 3.12Å; L290-E292 PolarHBondContact O-N 3.48Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.91Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.88Å
291	P	91.6	Very high	90.4	Very high	133 Å²	133	60.6 Å²	60.6	86%	0.864	34%	0.338	S	S	*	.	S	Bend	trans	-68	-27.6	176.2	28.9	-34.8	0	0	0	112.4
292	E	92.4	Very high	87.7	Confident	152 Å²	152	65.7 Å²	65.7	71%	0.71	38%	0.375	S	S	*	.	S	Bend	trans	-142.3	147.5	174	-66	-176.9	177	0	0	108.9	L290 L294	L290-E292 PolarHBondContact O-N 3.48Å; E292-L294 PolarHBondContact O-N 3.03Å
293	P	95.1	Very high	85	Confident	82 Å²	82	72.7 Å²	72.7	53%	0.532	41%	0.407	S	S	.	.			trans	-53.8	136.1	174.2	-28.3	37	0	0	0	112.9	V285 Q286	V285-P293 WeakPolarHBondContact O-CA 3.38Å; Q286-P293 HydrophobicContact CG-CB 4.03Å; Q286-P293 HydrophobicContact CG-CG 4.13Å
294	L	95.7	Very high	82.2	Confident	60 Å²	60	78.2 Å²	78.2	31%	0.314	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	132.4	176.3	-64.3	177.6	0	0	0	110.5	T211 H284 V285 L290 E292	T211-L294 HydrophobicContact CG2-CD1 4.25Å; H284-L294 CarbonylContact C-O 3.6Å; H284-L294 WeakPolarHBondContact CA-O 3.45Å; V285-L294 HydrophobicContact CB-CB 4.35Å; V285-L294 PolarHBondContact N-O 2.83Å; V285-L294 PolarHBondContact O-N 3.21Å; L290-L294 HydrophobicContact CD1-CD1 4.05Å; L290-L294 HydrophobicContact CD1-CG 3.91Å; L290-L294 HydrophobicContact CD2-CD1 3.66Å; L290-L294 HydrophobicContact CD2-CD2 4.49Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; E292-L294 PolarHBondContact O-N 3.03Å
295	T	97.1	Very high	79.6	Confident	77 Å²	77	82 Å²	82	47%	0.472	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120.2	168.5	-56.2	0	0	0	0	109.4	T282 C283 H284	T282-T295 HydrophobicContact CG2-CG2 3.68Å; C283-T295 CarbonylContact O-C 3.5Å; C283-T295 WeakPolarHBondContact O-CA 3.05Å; H284-T295 VanDerWaalsContact CE1-CG2 3.47Å; H284-T295 WeakPolarHBondContact CE1-CG2 3.46Å; H284-T295 PolarHBondContact CE1-OG1 3.3Å; H284-T295 PolarHBondContact ND1-OG1 3.12Å
296	L	96.1	Very high	77.6	Confident	34 Å²	34	87.2 Å²	87.2	18%	0.178	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	139.3	-174.1	-61.1	153.7	0	0	0	109.9	T211 V213 T282 C283 V285	T211-L296 VanDerWaalsContact CB-CD1 3.49Å; T211-L296 HydrophobicContact CG2-CD1 4.09Å; V213-L296 HydrophobicContact CG2-CB 3.9Å; T282-L296 CarbonylContact C-O 3.6Å; T282-L296 WeakPolarHBondContact CA-O 3.48Å; C283-L296 HydrophobicContact CB-CB 4.28Å; C283-L296 PolarHBondContact N-O 3.42Å; C283-L296 PolarHBondContact O-N 2.85Å; V285-L296 HydrophobicContact CG2-CD1 3.86Å
297	R	94.8	Very high	75.4	Confident	150 Å²	150	88.4 Å²	88.4	57%	0.566	51%	0.51	S	S	*	.			trans	-116.2	156.9	166	-66.7	-173.1	-178.1	-166.9	-2.7	109.3	Q279 T282 G299	Q279-R297 PolarHBondContact O-NH1 3.31Å; T282-R297 HydrophobicContact CG2-CG 3.57Å; T282-R297 VanDerWaalsContact CG2-NE 3.27Å; R297-G299 PolarHBondContact O-N 2.87Å
298	W	92.8	Very high	73.8	Confident	67 Å²	67	93.6 Å²	93.6	25%	0.254	54%	0.537	S	S	.	.			trans	-67.8	131	163.6	172.6	65.3	0	0	0	109.6	V213 H215 L225 E278 Q279	V213-W298 HydrophobicContact CB-CB 4.45Å; V213-W298 HydrophobicContact CG1-CB 3.8Å; H215-W298 HydrophobicContact CB-CD2 4.18Å; H215-W298 HydrophobicContact CB-CG 4.17Å; H215-W298 HydrophobicContact CB-CZ2 4.05Å; H215-W298 AromaticContact CD2-CE2 3.96Å; H215-W298 AromaticContact CD2-CZ2 3.88Å; H215-W298 AromaticContact CG-CE2 3.74Å; H215-W298 AromaticContact CG-CZ2 3.75Å; H215-W298 AromaticContact CG-NE1 3.93Å; H215-W298 AromaticContact ND1-CZ2 4Å; L225-W298 HydrophobicContact CD1-CB 4.35Å; L225-W298 HydrophobicContact CD2-CB 3.79Å; L225-W298 HydrophobicContact CD2-CD2 4.35Å; L225-W298 HydrophobicContact CD2-CG 3.94Å; E278-W298 HydrophobicContact CB-CD2 4.35Å; E278-W298 HydrophobicContact CB-CE3 3.35Å; E278-W298 HydrophobicContact CB-CZ3 3.69Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.65Å; Q279-W298 PolarHBondContact NE2-O 3.17Å
299	G	79.8	Confident	72.3	Confident	39 Å²	39	96 Å²	96	40%	0.402	56%	0.556	S	S	.	*			trans	-158.8	151.1	169.7	0	0	0	0	0	109.4	R297 S301	R297-G299 PolarHBondContact O-N 2.87Å; G299-S301 PolarHBondContact O-N 3.21Å
300	P	58.4	Low	71	Confident	113 Å²	113	97.2 Å²	97.2	73%	0.734	57%	0.569	S	S	*	*			trans	-58	128.9	169.8	26.1	-33.1	0	0	0	108.5	S302	P300-S302 PolarHBondContact O-N 2.74Å
301	S	49.3	Very low	70	Confident	106 Å²	106	100.8 Å²	100.8	74%	0.741	59%	0.587	S	S	*	*			trans	-54.2	101.6	-174.5	174.9	0	0	0	0	111.8	G299 Q303	G299-S301 PolarHBondContact O-N 3.21Å; S301-Q303 PolarHBondContact O-N 3.28Å
302	S	40.7	Very low	69.1	Low	114 Å²	114	98.6 Å²	98.6	80%	0.797	57%	0.572	S	S	*	*			trans	-72.6	70.2	166.9	-58.8	0	0	0	0	109.3	P300	P300-S302 PolarHBondContact O-N 2.74Å
303	Q	40.5	Very low	68.1	Low	155 Å²	155	93.9 Å²	93.9	72%	0.724	56%	0.558	S	S	*	*			trans	-52.8	127.1	155.2	-78.2	-170	-26.2	0	0	106.7	S301 T305	S301-Q303 PolarHBondContact O-N 3.28Å; Q303-T305 PolarHBondContact O-N 2.91Å
304	P	39	Very low	67.3	Low	116 Å²	116	91.6 Å²	91.6	75%	0.753	55%	0.55	S	S	*	*			trans	-65.8	103.2	176.3	26.3	-32.2	0	0	0	107.2	I306	P304-I306 PolarHBondContact O-N 2.81Å
305	T	44.7	Very low	66.8	Low	131 Å²	131	94 Å²	94	80%	0.804	56%	0.563	S	S	*	*			trans	-63.5	88.2	168.5	-49.4	0	0	0	0	106.9	Q303 P307	Q303-T305 PolarHBondContact O-N 2.91Å; T305-P307 VanDerWaalsContact O-N 3.13Å
306	I	54.1	Low	66.1	Low	109 Å²	109	93 Å²	93	56%	0.559	56%	0.562	S	S	*	*			trans	-47	124.6	169.6	-63.3	173.9	0	0	0	105.3	P304 I308 I311	P304-I306 PolarHBondContact O-N 2.81Å; I306-I308 PolarHBondContact O-N 3.13Å; I306-I311 HydrophobicContact CG2-CD1 4.14Å
307	P	52.7	Low	65.5	Low	92 Å²	92	95.6 Å²	95.6	60%	0.597	58%	0.579	S	S	*	*			trans	-74.7	78.3	-173.6	29.3	-34.7	0	0	0	109.1	T305 V309 G310 I311	T305-P307 VanDerWaalsContact O-N 3.13Å; P307-V309 PolarHBondContact O-N 3.5Å; P307-V309 VanDerWaalsContact O-N 3.15Å; P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 3.01Å; P307-I311 PolarHBondContact O-N 3.48Å
308	I	60.4	Low	65	Low	118 Å²	118	93.9 Å²	93.9	61%	0.605	58%	0.581	S	S	*	*	H	α-helix	trans	-53.3	-36.3	177.4	-67.1	165.6	0	0	0	109.4	I306 G310 I311 V312	I306-I308 PolarHBondContact O-N 3.13Å; I308-G310 VanDerWaalsContact C-N 3.33Å; I308-G310 PolarHBondContact O-N 3.5Å; I308-I311 PolarHBondContact O-N 3.06Å; I308-V312 HydrophobicContact CG2-CG2 4.14Å; I308-V312 WeakPolarHBondContact O-CB 3.5Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.16Å
309	V	59.4	Low	64.6	Low	123 Å²	123	93.4 Å²	93.4	75%	0.745	59%	0.591	S	S	*	*	H	α-helix	trans	-56.1	-42.2	172.5	-178.5	0	0	0	0	112.6	P307 A313	P307-V309 PolarHBondContact O-N 3.5Å; P307-V309 VanDerWaalsContact O-N 3.15Å; V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 2.99Å
310	G	63.9	Low	64.8	Low	46 Å²	46	95.8 Å²	95.8	47%	0.474	60%	0.598	S	S	.	*	H	α-helix	trans	-68.8	-39.1	178.9	0	0	0	0	0	112.9	P307 I308 G314	P307-G310 WeakPolarHBondContact O-CA 3.44Å; P307-G310 PolarHBondContact O-N 3.01Å; I308-G310 VanDerWaalsContact C-N 3.33Å; I308-G310 PolarHBondContact O-N 3.5Å; G310-G314 PolarHBondContact O-N 3Å
311	I	71.1	Confident	66.1	Low	99 Å²	99	95.4 Å²	95.4	51%	0.508	59%	0.589	S	S	.	*	H	α-helix	trans	-68.3	-45.3	176.3	-61.4	173.6	0	0	0	110.5	I306 P307 I308 G314 L315	I306-I311 HydrophobicContact CG2-CD1 4.14Å; P307-I311 PolarHBondContact O-N 3.48Å; I308-I311 PolarHBondContact O-N 3.06Å; I311-G314 PolarHBondContact O-N 3.49Å; I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.95Å
312	V	73.4	Confident	67.6	Low	88 Å²	88	93.5 Å²	93.5	53%	0.533	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-42.6	177.6	171.7	0	0	0	0	111.3	I308 L315 A316	I308-V312 HydrophobicContact CG2-CG2 4.14Å; I308-V312 WeakPolarHBondContact O-CB 3.5Å; I308-V312 VanDerWaalsContact O-CG2 3.28Å; I308-V312 WeakPolarHBondContact O-CG2 3.42Å; I308-V312 PolarHBondContact O-N 3.16Å; V312-L315 PolarHBondContact O-N 3.43Å; V312-A316 WeakPolarHBondContact O-CB 3.3Å; V312-A316 PolarHBondContact O-N 2.79Å
313	A	72.2	Confident	69.6	Low	52 Å²	52	92.6 Å²	92.6	43%	0.43	57%	0.569	S	S	.	*	H	α-helix	trans	-63	-44.2	175	0	0	0	0	0	112.2	V309 L315 A316 V317	V309-A313 VanDerWaalsContact O-CB 3.24Å; V309-A313 WeakPolarHBondContact O-CB 3.43Å; V309-A313 PolarHBondContact O-N 2.99Å; A313-L315 PolarHBondContact O-N 2.72Å; A313-A316 PolarHBondContact O-N 2.89Å; A313-V317 WeakPolarHBondContact O-CG2 3.17Å; A313-V317 PolarHBondContact O-N 3.23Å
314	G	78.2	Confident	71.5	Confident	35 Å²	35	90.1 Å²	90.1	36%	0.361	56%	0.56	S	S	.	*	H	α-helix	trans	-61.1	-43.6	176.5	0	0	0	0	0	113.1	G310 I311 V317 L318	G310-G314 PolarHBondContact O-N 3Å; I311-G314 PolarHBondContact O-N 3.49Å; G314-V317 PolarHBondContact O-N 3.4Å; G314-L318 PolarHBondContact O-N 3.11Å
315	L	84	Confident	73.4	Confident	111 Å²	111	86.5 Å²	86.5	58%	0.581	54%	0.544	S	S	*	.	H	α-helix	trans	-65.4	-39.2	176	-72.5	172.1	0	0	0	112.4	I311 V312 A313 L318 A319	I311-L315 HydrophobicContact CG2-CD1 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.95Å; V312-L315 PolarHBondContact O-N 3.43Å; A313-L315 PolarHBondContact O-N 2.72Å; L315-L318 PolarHBondContact O-N 3.2Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.37Å
316	A	82.3	Confident	75	Confident	55 Å²	55	83 Å²	83	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-43.2	176	0	0	0	0	0	112	V312 A313 A319 V320	V312-A316 WeakPolarHBondContact O-CB 3.3Å; V312-A316 PolarHBondContact O-N 2.79Å; A313-A316 PolarHBondContact O-N 2.89Å; A316-A319 PolarHBondContact O-N 3.12Å; A316-V320 WeakPolarHBondContact O-CG2 3.07Å; A316-V320 PolarHBondContact O-N 2.84Å
317	V	84.8	Confident	76.2	Confident	88 Å²	88	81.5 Å²	81.5	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-63.5	-43.9	176	172.1	0	0	0	0	111.2	A313 G314 A319 V320 L321	A313-V317 WeakPolarHBondContact O-CG2 3.17Å; A313-V317 PolarHBondContact O-N 3.23Å; G314-V317 PolarHBondContact O-N 3.4Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.19Å; V317-V320 PolarHBondContact O-N 3.46Å; V317-L321 HydrophobicContact CG1-CD1 3.97Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 2.94Å
318	L	83.8	Confident	77.2	Confident	115 Å²	115	82.8 Å²	82.8	60%	0.602	52%	0.523	S	S	*	.	H	α-helix	trans	-60.5	-41.4	175.7	-79.9	166.1	0	0	0	112.4	G314 L315 L321 A322	G314-L318 PolarHBondContact O-N 3.11Å; L315-L318 PolarHBondContact O-N 3.2Å; L318-L321 PolarHBondContact O-N 2.97Å; L318-A322 WeakPolarHBondContact O-CB 3.22Å; L318-A322 PolarHBondContact O-N 3.27Å
319	A	83.7	Confident	77.8	Confident	57 Å²	57	79.6 Å²	79.6	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-63.3	-43.8	176.3	0	0	0	0	0	112.2	L315 A316 V317 A322 V323	L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.37Å; A316-A319 PolarHBondContact O-N 3.12Å; V317-A319 VanDerWaalsContact C-N 3.34Å; V317-A319 PolarHBondContact O-N 3.19Å; A319-A322 PolarHBondContact O-N 3.18Å; A319-V323 WeakPolarHBondContact O-CG2 3.34Å; A319-V323 PolarHBondContact O-N 3.42Å
320	V	84.6	Confident	78.5	Confident	89 Å²	89	77.6 Å²	77.6	54%	0.539	50%	0.503	S	S	.	.	H	α-helix	trans	-62.9	-43.7	176.5	171.5	0	0	0	0	111.4	A316 V317 A322 V323 L324	A316-V320 WeakPolarHBondContact O-CG2 3.07Å; A316-V320 PolarHBondContact O-N 2.84Å; V317-V320 PolarHBondContact O-N 3.46Å; V320-A322 PolarHBondContact O-N 2.99Å; V320-V323 PolarHBondContact O-N 3.47Å; V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.16Å; V320-L324 PolarHBondContact O-N 2.93Å
321	L	84.3	Confident	78.9	Confident	105 Å²	105	79 Å²	79	55%	0.55	50%	0.502	S	S	.	.	H	α-helix	trans	-63.9	-39.3	176.8	-70.7	172.8	0	0	0	112.3	V317 L318 L324 G325	V317-L321 HydrophobicContact CG1-CD1 3.97Å; V317-L321 HydrophobicContact CG1-CG 4.43Å; V317-L321 WeakPolarHBondContact O-CG 3.37Å; V317-L321 PolarHBondContact O-N 2.94Å; L318-L321 PolarHBondContact O-N 2.97Å; L321-L324 PolarHBondContact O-N 3.08Å; L321-G325 PolarHBondContact O-N 3.15Å
322	A	81.6	Confident	78.9	Confident	66 Å²	66	80.5 Å²	80.5	55%	0.545	51%	0.508	S	S	.	.	H	α-helix	trans	-63.9	-42.3	175.7	0	0	0	0	0	112.2	L318 A319 V320 G325 A326	L318-A322 WeakPolarHBondContact O-CB 3.22Å; L318-A322 PolarHBondContact O-N 3.27Å; A319-A322 PolarHBondContact O-N 3.18Å; V320-A322 PolarHBondContact O-N 2.99Å; A322-G325 PolarHBondContact O-N 3.13Å; A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.2Å
323	V	82.6	Confident	78.3	Confident	95 Å²	95	80.7 Å²	80.7	58%	0.576	51%	0.512	S	S	*	.	H	α-helix	trans	-64.1	-44.7	175.3	172.2	0	0	0	0	111.3	A319 V320 G325 A326 V327	A319-V323 WeakPolarHBondContact O-CG2 3.34Å; A319-V323 PolarHBondContact O-N 3.42Å; V320-V323 PolarHBondContact O-N 3.47Å; V323-G325 PolarHBondContact O-N 3.32Å; V323-A326 PolarHBondContact O-N 3.5Å; V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 2.99Å; V323-V327 PolarHBondContact O-N 2.89Å
324	L	80.6	Confident	77.8	Confident	102 Å²	102	87.2 Å²	87.2	53%	0.534	53%	0.526	S	S	.	.	H	α-helix	trans	-61.6	-42.9	176	-73.1	168.3	0	0	0	111.9	V320 L321 V327 M328	V320-L324 HydrophobicContact CG1-CD1 3.98Å; V320-L324 WeakPolarHBondContact O-CG 3.16Å; V320-L324 PolarHBondContact O-N 2.93Å; L321-L324 PolarHBondContact O-N 3.08Å; L324-V327 PolarHBondContact O-N 3.25Å; L324-M328 WeakPolarHBondContact O-CB 3.5Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.31Å; L324-M328 PolarHBondContact O-N 3.19Å
325	G	79.8	Confident	76.8	Confident	41 Å²	41	95.5 Å²	95.5	42%	0.423	55%	0.546	S	S	.	.	H	α-helix	trans	-60.2	-44.5	174.3	0	0	0	0	0	112.8	L321 A322 V323 M328 A329	L321-G325 PolarHBondContact O-N 3.15Å; A322-G325 PolarHBondContact O-N 3.13Å; V323-G325 PolarHBondContact O-N 3.32Å; G325-M328 PolarHBondContact O-N 2.91Å; G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 3.33Å
326	A	78.3	Confident	75.2	Confident	56 Å²	56	99 Å²	99	46%	0.463	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-42.7	176.5	0	0	0	0	0	112.4	A322 V323 A329 V330	A322-A326 WeakPolarHBondContact O-CB 3.48Å; A322-A326 PolarHBondContact O-N 3.2Å; V323-A326 PolarHBondContact O-N 3.5Å; A326-A329 PolarHBondContact O-N 2.95Å; A326-V330 WeakPolarHBondContact O-CG2 3.41Å; A326-V330 PolarHBondContact O-N 3.35Å
327	V	78.9	Confident	73.8	Confident	79 Å²	79	101 Å²	101	48%	0.479	57%	0.567	S	S	.	*	H	α-helix	trans	-62.1	-45.5	175.4	170.3	0	0	0	0	110.8	V323 L324 A329 V330 V331	V323-V327 HydrophobicContact CG1-CG2 4.48Å; V323-V327 WeakPolarHBondContact O-CG2 2.99Å; V323-V327 PolarHBondContact O-N 2.89Å; L324-V327 PolarHBondContact O-N 3.25Å; V327-A329 PolarHBondContact O-N 2.99Å; V327-V330 PolarHBondContact O-N 3.18Å; V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 WeakPolarHBondContact O-CB 3.4Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.19Å; V327-V331 PolarHBondContact O-N 2.93Å
328	M	74	Confident	72.1	Confident	118 Å²	118	101.5 Å²	101.5	58%	0.581	58%	0.575	S	S	*	*	H	α-helix	trans	-62.5	-41.3	177	-72	-64	-72	0	0	112.1	L324 G325 V331 M332	L324-M328 WeakPolarHBondContact O-CB 3.5Å; L324-M328 VanDerWaalsContact O-CG 3.31Å; L324-M328 WeakPolarHBondContact O-CG 3.31Å; L324-M328 PolarHBondContact O-N 3.19Å; G325-M328 PolarHBondContact O-N 2.91Å; M328-V331 PolarHBondContact O-N 2.69Å; M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.31Å; M328-M332 PolarHBondContact O-N 2.92Å
329	A	72.9	Confident	70.3	Confident	52 Å²	52	99.2 Å²	99.2	43%	0.43	58%	0.579	S	S	.	*	H	α-helix	trans	-62.3	-44.5	174.5	0	0	0	0	0	112.2	G325 A326 V327 M332 C333	G325-A329 WeakPolarHBondContact O-CB 3.49Å; G325-A329 PolarHBondContact O-N 3.33Å; A326-A329 PolarHBondContact O-N 2.95Å; V327-A329 PolarHBondContact O-N 2.99Å; A329-M332 PolarHBondContact O-N 3.16Å; A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.76Å; A329-C333 PolarHBondContact O-SG 3.2Å; A329-C333 VanDerWaalsContact O-SG 3.42Å
330	V	73.4	Confident	68.1	Low	81 Å²	81	100.7 Å²	100.7	49%	0.491	60%	0.6	S	S	.	*	H	α-helix	trans	-64	-40.8	176.3	169.9	0	0	0	0	111.7	A326 V327 C333 R334	A326-V330 WeakPolarHBondContact O-CG2 3.41Å; A326-V330 PolarHBondContact O-N 3.35Å; V327-V330 PolarHBondContact O-N 3.18Å; V330-C333 PolarHBondContact O-N 2.85Å; V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 2.9Å
331	V	72.9	Confident	65.7	Low	74 Å²	74	106.9 Å²	106.9	45%	0.448	62%	0.619	S	S	.	*	H	α-helix	trans	-65.3	-41.7	176	169.9	0	0	0	0	111.2	V327 M328 R334 R335	V327-V331 HydrophobicContact CG1-CG2 4.4Å; V327-V331 WeakPolarHBondContact O-CB 3.4Å; V327-V331 VanDerWaalsContact O-CG2 3.31Å; V327-V331 WeakPolarHBondContact O-CG2 3.19Å; V327-V331 PolarHBondContact O-N 2.93Å; M328-V331 PolarHBondContact O-N 2.69Å; V331-R334 PolarHBondContact O-N 3.32Å; V331-R335 PolarHBondContact O-N 2.7Å
332	M	70.5	Confident	63.3	Low	132 Å²	132	105.7 Å²	105.7	65%	0.65	63%	0.632	S	S	*	*	H	α-helix	trans	-65.6	-42.5	175	-74.5	-173.7	69.6	0	0	112.3	M328 A329 R334 R335 K336	M328-M332 WeakPolarHBondContact O-CB 3.42Å; M328-M332 WeakPolarHBondContact O-CG 3.31Å; M328-M332 PolarHBondContact O-N 2.92Å; A329-M332 PolarHBondContact O-N 3.16Å; M332-R334 PolarHBondContact O-N 3.4Å; M332-R335 PolarHBondContact O-N 3.1Å; M332-K336 WeakPolarHBondContact O-CB 3.37Å; M332-K336 PolarHBondContact O-N 3.25Å
333	C	61.5	Low	60.9	Low	91 Å²	91	106.5 Å²	106.5	62%	0.615	65%	0.648	S	S	*	*	H	α-helix	trans	-60.9	-42.5	173.7	-75.7	0	0	0	0	111.9	A329 V330 K336 S337	A329-C333 WeakPolarHBondContact O-CB 3.49Å; A329-C333 PolarHBondContact O-N 2.76Å; A329-C333 PolarHBondContact O-SG 3.2Å; A329-C333 VanDerWaalsContact O-SG 3.42Å; V330-C333 PolarHBondContact O-N 2.85Å; C333-K336 PolarHBondContact O-N 3.01Å; C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 3.12Å
334	R	61.2	Low	58.6	Low	189 Å²	189	107.3 Å²	107.3	71%	0.713	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-33.6	175.8	-78.3	-176.1	165.8	-177.5	-4.2	113.6	V330 V331 M332 K336 S337	V330-R334 WeakPolarHBondContact O-CB 3.48Å; V330-R334 WeakPolarHBondContact O-CG 3.48Å; V330-R334 PolarHBondContact O-N 2.9Å; V331-R334 PolarHBondContact O-N 3.32Å; M332-R334 PolarHBondContact O-N 3.4Å; R334-K336 VanDerWaalsContact C-N 3.32Å; R334-S337 PolarHBondContact O-OG 2.85Å
335	R	57.7	Low	56.4	Low	210 Å²	210	108 Å²	108	79%	0.792	67%	0.669	S	S	*	*	H	α-helix	trans	-68.3	-28.6	170.6	-108	-177.7	172.7	175.8	-1.8	113.1	V331 M332 S338	V331-R335 PolarHBondContact O-N 2.7Å; M332-R335 PolarHBondContact O-N 3.1Å; R335-S338 PolarHBondContact O-OG 3.44Å
336	K	50.7	Low	54.2	Low	183 Å²	183	112.2 Å²	112.2	80%	0.796	69%	0.693	S	S	*	*	H	α-helix	trans	-84.8	-21.4	179.9	-164.1	166.1	-178.4	176.8	0	113.4	M332 C333 R334	M332-K336 WeakPolarHBondContact O-CB 3.37Å; M332-K336 PolarHBondContact O-N 3.25Å; C333-K336 PolarHBondContact O-N 3.01Å; R334-K336 VanDerWaalsContact C-N 3.32Å
337	S	51.6	Low	52.2	Low	97 Å²	97	118.8 Å²	118.8	68%	0.678	71%	0.713	S	S	*	*	S	Bend	trans	-87.6	-4.5	176.4	58	0	0	0	0	115	C333 R334	C333-S337 PolarHBondContact O-N 3.19Å; C333-S337 VanDerWaalsContact O-N 3.09Å; C333-S337 PolarHBondContact O-OG 3.12Å; R334-S337 PolarHBondContact O-OG 2.85Å
338	S	50	Low	49.8	Very low	100 Å²	100	119.8 Å²	119.8	70%	0.699	73%	0.73	S	S	*	*	S	Bend	trans	-96.2	20.1	-178.1	68.9	0	0	0	0	114.6	R335	R335-S338 PolarHBondContact O-OG 3.44Å
339	G	44.8	Very low	47.8	Very low	66 Å²	66	118.6 Å²	118.6	68%	0.68	74%	0.739	S	S	*	*	S	Bend	trans	-160.9	119.3	178.8	0	0	0	0	0	114.6
340	G	37.4	Very low	45.8	Very low	88 Å²	88	121.3 Å²	121.3	91%	0.907	76%	0.755	S	S	*	*			trans	111.8	114	162.5	0	0	0	0	0	115.3
341	K	36	Very low	43.8	Very low	219 Å²	219	123.2 Å²	123.2	95%	0.952	77%	0.772	S	S	*	*			trans	-113.4	134.3	-179.6	177.2	175.9	-179.6	175.4	0	109.6
342	G	33	Very low	42.1	Very low	80 Å²	80	127.2 Å²	127.2	83%	0.825	79%	0.791	S	S	*	*			trans	114.1	150.9	155.1	0	0	0	0	0	118.1
343	G	31.6	Very low	40.6	Very low	84 Å²	84	126.7 Å²	126.7	87%	0.866	80%	0.8	S	S	*	*			trans	120.1	93.1	150.6	0	0	0	0	0	117.4
344	S	34.5	Very low	39.4	Very low	111 Å²	111	126.5 Å²	126.5	78%	0.776	81%	0.805	S	S	*	*			trans	-63.3	156.5	174.9	-169.9	0	0	0	0	116.3
345	C	33.4	Very low	38.2	Very low	116 Å²	116	127.1 Å²	127.1	78%	0.784	82%	0.816	S	S	*	*			trans	33.3	130.6	151	-72	0	0	0	0	122.5
346	S	33.3	Very low	37	Very low	131 Å²	131	120.1 Å²	120.1	92%	0.916	81%	0.81	S	S	*	*				-148.2	155.6	126	-28.6	0	0	0	0	111.2
347	Q	36.5	Very low	36.3	Very low	193 Å²	193	116.8 Å²	116.8	90%	0.902	81%	0.809	S	S	*	*			trans	-121.9	136	-170.8	173.6	-175.7	3.6	0	0	109.2
348	A	28.7	Very low	35.7	Very low	100 Å²	100	119 Å²	119	83%	0.826	81%	0.814	S	S	*	*			trans	-151.8	119.7	164.5	0	0	0	0	0	110.8
349	A	31.9	Very low	34.8	Very low	94 Å²	94	122.6 Å²	122.6	78%	0.777	82%	0.819	S	S	*	*			trans	-84.2	-179.9	159.6	0	0	0	0	0	108.1
350	S	30.9	Very low	34.2	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	82%	0.817	S	S	*	*			cis	-160	169.1	3.1	51	0	0	0	0	107.7
351	S	32.1	Very low	34	Very low	122 Å²	122	126.4 Å²	126.4	85%	0.853	81%	0.81	S	S	*	*			trans	-146.9	130.7	145.4	48.6	0	0	0	0	109.6
352	N	37.2	Very low	33.9	Very low	157 Å²	157	123.4 Å²	123.4	84%	0.84	80%	0.802	S	S	*	*			trans	-129.7	132.5	-173	-119.4	2.7	0	0	0	108.4
353	S	39.6	Very low	33.8	Very low	122 Å²	122	124.3 Å²	124.3	85%	0.853	80%	0.802	S	S	*	*			trans	164.5	151.3	142.8	40.6	0	0	0	0	111.3
354	A	36	Very low	34	Very low	87 Å²	87	126.4 Å²	126.4	72%	0.719	80%	0.802	S	S	*	*			cis	-172.4	133.2	-27.9	0	0	0	0	0	108.7
355	Q	36	Very low	34.1	Very low	201 Å²	201	131.2 Å²	131.2	94%	0.939	81%	0.809	S	S	*	*			trans	144.6	122.6	165.6	-88.5	165	-20.4	0	0	107
356	G	31.2	Very low	34.4	Very low	64 Å²	64	133.9 Å²	133.9	66%	0.66	84%	0.839	S	S	*	*			cis	84.8	117.2	14.6	0	0	0	0	0	111
357	S	37.4	Very low	34.5	Very low	112 Å²	112	134 Å²	134	78%	0.783	84%	0.835	S	S	*	*			cis	-157.3	-173.3	-5.1	-51.5	0	0	0	0	108.5
358	D	37.2	Very low	34.4	Very low	144 Å²	144	130.9 Å²	130.9	77%	0.77	83%	0.831	S	S	*	*			cis	-160	-175.2	0.6	-140	-53.3	0	0	0	110.4
359	E	32.3	Very low	34.7	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.822	83%	0.832	S	S	*	*			trans	63.5	148.4	164	-67.1	-162.3	124.6	0	0	120.4
360	S	31.7	Very low	34.8	Very low	89 Å²	89	134.9 Å²	134.9	62%	0.622	84%	0.835	S	S	*	*			cis	-162.1	156.6	-26	61.8	0	0	0	0	111.5
361	L	33.8	Very low	35.1	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	84%	0.84	S	S	*	*			trans	59.2	101.8	152	-66.8	166.7	0	0	0	122.7
362	I	33.3	Very low	35.3	Very low	156 Å²	156	137.5 Å²	137.5	80%	0.8	84%	0.839	S	S	*	*				38.5	118.7	114.2	-56.4	174.4	0	0	0	118.8
363	A	31.8	Very low	35.1	Very low	98 Å²	98	136.1 Å²	136.1	81%	0.81	84%	0.839	S	S	*	*				-163.9	115.5	122.2	0	0	0	0	0	112.6
364	C	35.4	Very low	34.8	Very low	129 Å²	129	137.2 Å²	137.2	87%	0.872	84%	0.838	S	S	*	*			trans	-88.7	146.4	152.9	-69.1	0	0	0	0	109.1
365	K	35.9	Very low	34.7	Very low	212 Å²	212	141.4 Å²	141.4	92%	0.922	85%	0.848	S	S	*	*			trans	-150.1	155.7	145.3	-124.4	176.3	-175.6	178.7	0	111.7
366	A	40.3	Very low	34.6	Very low	171 Å²	171	136 Å²	136	100%	1.413	84%	0.839	S	S	*	*			trans	-73.1	0	175.8	0	0	0	0	0	112

Retrieved 366 of 366 residues in 482.7 ms (Link to these results)

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