A0A077ZGD8_TRITR Loading...

DUF4098 and DUF4097 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGD8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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	40.2	Very low	72.4	Confident	227 Å²	227	120.5 Å²	120.5	100%	1.118	59%	0.59	S	S	*	*				0	95.3	0	-165.5	179.5	-158.2	0	0	107	V3	M1-V3 PolarHBondContact O-N 2.67Å; M1-V3 VanDerWaalsContact O-N 3.09Å
2	F	49	Very low	74.4	Confident	199 Å²	199	115.7 Å²	115.7	87%	0.873	56%	0.564	S	S	*	*			trans	-70.3	105.1	178.6	-63.7	-84	0	0	0	107.7	H4	F2-H4 VanDerWaalsContact C-N 3.3Å; F2-H4 PolarHBondContact O-N 2.88Å
3	V	51.5	Low	76.1	Confident	108 Å²	108	110.7 Å²	110.7	66%	0.655	55%	0.545	S	S	*	.			trans	-68.7	96.4	172	-178.8	0	0	0	0	105.7	M1 N5	M1-V3 PolarHBondContact O-N 2.67Å; M1-V3 VanDerWaalsContact O-N 3.09Å; V3-N5 PolarHBondContact O-N 2.79Å
4	H	53.4	Low	77.5	Confident	157 Å²	157	102.9 Å²	102.9	73%	0.727	51%	0.506	S	S	*	.			trans	-55.5	111.2	172.3	-98.5	70.3	0	0	0	108	F2 R6	F2-H4 VanDerWaalsContact C-N 3.3Å; F2-H4 PolarHBondContact O-N 2.88Å; H4-R6 PolarHBondContact O-N 2.81Å
5	N	66	Low	78.3	Confident	33 Å²	33	103.9 Å²	103.9	18%	0.176	52%	0.521	C	S	.	.			trans	-70.9	81.1	174.5	-162.1	10.1	0	0	0	108.2	V3 M7 S47 R48 D49	V3-N5 PolarHBondContact O-N 2.79Å; N5-M7 PolarHBondContact O-N 2.8Å; N5-S47 PolarHBondContact ND2-OG 3Å; N5-S47 VanDerWaalsContact OD1-CB 3.29Å; N5-S47 WeakPolarHBondContact OD1-CB 3.33Å; N5-S47 PolarHBondContact OD1-OG 2.82Å; N5-R48 WeakPolarHBondContact OD1-CB 3.31Å; N5-R48 PolarHBondContact OD1-N 2.61Å; N5-R48 VanDerWaalsContact OD1-N 3.16Å; N5-D49 PolarHBondContact ND2-OD2 3.2Å
6	R	77.3	Confident	79	Confident	224 Å²	224	106.1 Å²	106.1	85%	0.845	53%	0.526	S	S	*	.			trans	-59.4	122.8	178.4	-80.1	-172.9	177.4	178.2	-0.1	108.8	H4	H4-R6 PolarHBondContact O-N 2.81Å
7	M	84.5	Confident	79.7	Confident	55 Å²	55	102.1 Å²	102.1	27%	0.271	51%	0.511	S	S	.	.			trans	-94.4	135.3	172.1	-70.2	-178.7	-81.6	0	0	109.7	N5 K45 K46 I50 N80 P83	N5-M7 PolarHBondContact O-N 2.8Å; M7-K45 HydrophobicContact CB-CD 4.19Å; M7-K45 HydrophobicContact SD-CB 4.37Å; M7-K45 HydrophobicContact SD-CD 3.72Å; M7-K46 CarbonylContact C-O 3.52Å; M7-K46 VanDerWaalsContact CA-O 3.28Å; M7-K46 WeakPolarHBondContact CA-O 3.46Å; M7-I50 HydrophobicContact SD-CD1 4.36Å; M7-N80 HydrophobicContact CE-CB 4.33Å; M7-P83 HydrophobicContact SD-CB 4.34Å
8	S	89.4	Confident	80.5	Confident	48 Å²	48	96.5 Å²	96.5	34%	0.336	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	149	163.8	57.4	0	0	0	0	109.9	E10 K45 K46	S8-E10 PolarHBondContact OG-OE1 2.72Å; S8-K45 CarbonylContact O-C 3.53Å; S8-K45 VanDerWaalsContact O-CA 3.28Å; S8-K45 WeakPolarHBondContact O-CA 3.13Å; S8-K46 PolarHBondContact N-O 3.35Å; S8-K46 PolarHBondContact O-N 3.06Å
9	N	93.3	Very high	81.3	Confident	131 Å²	131	98.1 Å²	98.1	70%	0.701	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	135	165.2	-63.7	-35.1	0	0	0	108.2
10	E	95.6	Very high	82.1	Confident	60 Å²	60	96.7 Å²	96.7	28%	0.28	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.5	177.4	-59.1	-68.8	158.9	0	0	109.2	S8 N43 Y44 K46	S8-E10 PolarHBondContact OG-OE1 2.72Å; E10-N43 WeakPolarHBondContact O-CA 3.33Å; E10-Y44 HydrophobicContact CB-CD1 4.17Å; E10-Y44 HydrophobicContact CB-CD2 4.22Å; E10-Y44 HydrophobicContact CB-CE1 3.72Å; E10-Y44 HydrophobicContact CB-CE2 3.77Å; E10-Y44 HydrophobicContact CB-CG 4.41Å; E10-Y44 HydrophobicContact CG-CE2 4.02Å; E10-Y44 PolarHBondContact N-O 2.83Å; E10-Y44 PolarHBondContact O-N 2.84Å; E10-K46 HydrophobicContact CG-CB 3.53Å; E10-K46 HydrophobicContact CG-CD 3.89Å; E10-K46 HydrophobicContact CG-CG 4.4Å
11	T	96.8	Very high	82.9	Confident	83 Å²	83	92 Å²	92	51%	0.509	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126	173	-59.9	0	0	0	0	108.9	R41 I42 N43	T11-R41 HydrophobicContact CG2-CG 3.66Å; T11-I42 CarbonylContact C-O 3.55Å; T11-I42 VanDerWaalsContact CA-O 3.31Å; T11-I42 WeakPolarHBondContact CA-O 3.39Å; T11-N43 WeakPolarHBondContact CG2-OD1 3.32Å; T11-N43 PolarHBondContact OG1-OD1 2.93Å
12	F	96.6	Very high	85.7	Confident	63 Å²	63	82.9 Å²	82.9	28%	0.276	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.3	167.2	177.3	-92.9	0	0	0	109.1	T14 R41 I42 I54 L61	F12-T14 HydrophobicContact CE1-CG2 3.74Å; F12-R41 CarbonylContact O-C 3.52Å; F12-R41 WeakPolarHBondContact O-CA 3.33Å; F12-I42 HydrophobicContact CB-CB 4.32Å; F12-I42 HydrophobicContact CD1-CD1 4.14Å; F12-I42 HydrophobicContact CD1-CG1 4.45Å; F12-I42 PolarHBondContact N-O 3.12Å; F12-I42 PolarHBondContact O-N 2.86Å; F12-I54 HydrophobicContact CB-CD1 3.9Å; F12-I54 HydrophobicContact CD1-CG2 3.68Å; F12-I54 HydrophobicContact CD2-CG2 4.06Å; F12-I54 HydrophobicContact CE1-CG2 3.65Å; F12-I54 HydrophobicContact CE2-CG2 4.04Å; F12-I54 HydrophobicContact CG-CD1 4.19Å; F12-I54 HydrophobicContact CG-CG2 3.88Å; F12-I54 HydrophobicContact CZ-CG2 3.84Å; F12-L61 HydrophobicContact CE1-CD1 3.79Å; F12-L61 HydrophobicContact CZ-CD1 4.39Å
13	T	96.4	Very high	88	Confident	51 Å²	51	73.5 Å²	73.5	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	121.7	177.3	-54	0	0	0	0	109.6	R39 T40	T13-R39 HydrophobicContact CG2-CB 4.03Å; T13-T40 WeakPolarHBondContact CA-O 3.48Å
14	T	95.1	Very high	90.2	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.006	35%	0.354	C	S	.	.			trans	-64.9	150.9	-179.8	63.1	0	0	0	0	111.1	F12 K16 V18 R39 T40 L61	F12-T14 HydrophobicContact CE1-CG2 3.74Å; T14-K16 WeakPolarHBondContact CB-O 3.23Å; T14-K16 PolarHBondContact OG1-O 3.39Å; T14-K16 VanDerWaalsContact OG1-O 3.06Å; T14-V18 HydrophobicContact CG2-CG2 3.73Å; T14-R39 PolarHBondContact O-NE 2.81Å; T14-R39 PolarHBondContact O-NH2 3.26Å; T14-T40 PolarHBondContact N-O 2.77Å; T14-T40 PolarHBondContact OG1-N 2.68Å; T14-L61 HydrophobicContact CG2-CD1 4.1Å; T14-L61 HydrophobicContact CG2-CD2 3.7Å; T14-L61 HydrophobicContact CG2-CG 4.48Å
15	T	89.6	Confident	92.2	Very high	118 Å²	118	64.3 Å²	64.3	72%	0.724	32%	0.321	S	S	*	.	S	Bend	trans	-97.7	-20.2	170.9	52.1	0	0	0	0	112.3
16	K	89.1	Confident	93.2	Very high	139 Å²	139	67.7 Å²	67.7	60%	0.604	33%	0.331	S	S	*	.	S	Bend	trans	-111.3	161.5	179.2	-63.2	177.3	-177.2	179.7	0	110.2	T14	T14-K16 WeakPolarHBondContact CB-O 3.23Å; T14-K16 PolarHBondContact OG1-O 3.39Å; T14-K16 VanDerWaalsContact OG1-O 3.06Å
17	S	90.7	Very high	93.9	Very high	39 Å²	39	60.4 Å²	60.4	27%	0.273	31%	0.308	S	S	.	.			trans	-60.6	145.5	172.6	-161.7	0	0	0	0	110.5	Q56	S17-Q56 PolarHBondContact O-NE2 3.19Å; S17-Q56 VanDerWaalsContact O-NE2 3.16Å
18	V	94.6	Very high	94.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.006	30%	0.298	C	S	.	.			trans	-109.6	132	170.4	179.9	0	0	0	0	106.9	T14 E20 L21 T40 N59 L61 L94	T14-V18 HydrophobicContact CG2-CG2 3.73Å; V18-E20 WeakPolarHBondContact CG1-O 3.44Å; V18-L21 HydrophobicContact CG1-CB 4.39Å; V18-T40 WeakPolarHBondContact CG2-OG1 3.4Å; V18-N59 WeakPolarHBondContact CA-O 3.41Å; V18-L61 HydrophobicContact CG1-CB 3.78Å; V18-L61 HydrophobicContact CG2-CB 3.93Å; V18-L61 HydrophobicContact CG2-CD2 4.1Å; V18-L94 HydrophobicContact CG1-CD1 4.17Å
19	R	96	Very high	94.6	Very high	127 Å²	127	57.6 Å²	57.6	48%	0.479	29%	0.293	S	S	.	.	S	Bend	trans	-113	-26.2	172	-67.8	-174.8	172.2	-165.2	-1.8	111.6	N59 K95 D96	R19-N59 HydrophobicContact CB-CB 3.93Å; R19-N59 HydrophobicContact CG-CB 4.06Å; R19-N59 PolarHBondContact N-O 2.88Å; R19-K95 HydrophobicContact CB-CD 4.41Å; R19-K95 WeakPolarHBondContact O-CA 3.36Å; R19-K95 WeakPolarHBondContact O-CB 3.43Å; R19-K95 PolarHBondContact O-N 3.33Å; R19-D96 PolarHBondContact O-N 3.09Å; R19-D96 VanDerWaalsContact O-N 3.08Å
20	E	97.7	Very high	94.8	Very high	69 Å²	69	51.4 Å²	51.4	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.3	177.6	178.2	-172.8	-175.5	0	0	108.5	V18 V22 N59 T60 L61 D96	V18-E20 WeakPolarHBondContact CG1-O 3.44Å; E20-V22 HydrophobicContact CG-CG2 4.24Å; E20-N59 PolarHBondContact N-O 3.37Å; E20-T60 HydrophobicContact CB-CG2 4.14Å; E20-T60 VanDerWaalsContact CD-CG2 3.49Å; E20-T60 HydrophobicContact CG-CG2 3.85Å; E20-T60 CarbonylContact O-C 3.58Å; E20-T60 WeakPolarHBondContact O-CA 3.28Å; E20-T60 WeakPolarHBondContact OE2-CB 3.09Å; E20-T60 VanDerWaalsContact OE2-CG2 3.25Å; E20-T60 WeakPolarHBondContact OE2-CG2 3.47Å; E20-T60 PolarHBondContact OE2-OG1 3.48Å; E20-L61 PolarHBondContact O-N 3.39Å; E20-D96 WeakPolarHBondContact CA-O 3.48Å; E20-D96 HydrophobicContact CB-CB 4.26Å; E20-D96 HydrophobicContact CG-CB 4.04Å
21	L	98.3	Very high	95	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	120.8	176.4	172.4	59.8	0	0	0	109.4	V18 V23 L61 I87 V89 L94 D96 L97 Q98	V18-L21 HydrophobicContact CG1-CB 4.39Å; L21-V23 HydrophobicContact CD1-CG2 3.95Å; L21-V23 HydrophobicContact CD2-CG2 4.43Å; L21-V23 HydrophobicContact CG-CG2 4.02Å; L21-L61 WeakPolarHBondContact CA-O 3.28Å; L21-L61 HydrophobicContact CD1-CB 4.19Å; L21-L61 HydrophobicContact CD1-CD2 4.13Å; L21-L61 HydrophobicContact CD1-CG 4.16Å; L21-L61 WeakPolarHBondContact CD1-O 3.33Å; L21-I87 HydrophobicContact CD2-CD1 4Å; L21-I87 HydrophobicContact CD2-CG2 3.75Å; L21-V89 HydrophobicContact CD2-CG1 3.84Å; L21-L94 HydrophobicContact CB-CD1 3.91Å; L21-D96 PolarHBondContact N-O 2.89Å; L21-L97 HydrophobicContact CB-CD1 3.93Å; L21-L97 HydrophobicContact CD2-CD1 3.69Å; L21-L97 HydrophobicContact CG-CD1 3.78Å; L21-Q98 PolarHBondContact O-N 2.94Å
22	V	98.6	Very high	95	Very high	35 Å²	35	46.1 Å²	46.1	21%	0.212	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.8	175.9	-174.8	0	0	0	0	109.3	E20 L61 T62 L63 Q98	E20-V22 HydrophobicContact CG-CG2 4.24Å; V22-L61 PolarHBondContact N-O 3Å; V22-T62 HydrophobicContact CB-CG2 4.26Å; V22-T62 CarbonylContact O-C 3.53Å; V22-T62 VanDerWaalsContact O-CA 3.31Å; V22-T62 WeakPolarHBondContact O-CA 3.46Å; V22-L63 PolarHBondContact O-N 3.06Å; V22-Q98 CarbonylContact C-O 3.48Å; V22-Q98 WeakPolarHBondContact CA-O 3.48Å; V22-Q98 HydrophobicContact CG1-CB 4.47Å; V22-Q98 HydrophobicContact CG2-CB 4.49Å
23	V	98.5	Very high	95.1	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.012	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	119.5	-179.9	179.4	0	0	0	0	109.2	L21 V30 L63 I87 Q98 V99 E100	L21-V23 HydrophobicContact CD1-CG2 3.95Å; L21-V23 HydrophobicContact CD2-CG2 4.43Å; L21-V23 HydrophobicContact CG-CG2 4.02Å; V23-V30 HydrophobicContact CG1-CG1 4.27Å; V23-V30 HydrophobicContact CG1-CG2 4.38Å; V23-L63 WeakPolarHBondContact CA-O 3.49Å; V23-L63 HydrophobicContact CG1-CB 4.48Å; V23-L63 HydrophobicContact CG1-CD2 3.96Å; V23-L63 HydrophobicContact CG1-CG 4.42Å; V23-L63 HydrophobicContact CG2-CB 4.28Å; V23-L63 HydrophobicContact CG2-CD2 4.43Å; V23-I87 HydrophobicContact CG2-CD1 3.51Å; V23-Q98 PolarHBondContact N-O 3.23Å; V23-V99 HydrophobicContact CB-CB 4.34Å; V23-V99 HydrophobicContact CB-CG1 3.97Å; V23-V99 HydrophobicContact CB-CG2 4.17Å; V23-V99 HydrophobicContact CG1-CG1 4.09Å; V23-V99 HydrophobicContact CG2-CG2 4.3Å; V23-V99 WeakPolarHBondContact O-CA 3.25Å; V23-E100 PolarHBondContact O-N 3.06Å
24	D	97.8	Very high	95.2	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.4	173.7	174.1	-17.5	0	0	0	108.4	L63 E64 R65	D24-L63 PolarHBondContact N-O 2.85Å; D24-E64 HydrophobicContact CB-CG 4.43Å; D24-R65 WeakPolarHBondContact O-CB 3.31Å; D24-R65 PolarHBondContact O-N 2.9Å
25	D	94.8	Very high	95.3	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.032	22%	0.224	C	C	.	.			trans	-125.8	-177.6	168.5	-153.8	-75.7	0	0	0	111.5	N27 M28 Y52 R65 E100 T101	D25-N27 PolarHBondContact OD1-N 3.16Å; D25-M28 HydrophobicContact CB-CB 4.24Å; D25-M28 WeakPolarHBondContact OD1-CB 3.06Å; D25-M28 PolarHBondContact OD1-N 2.69Å; D25-M28 VanDerWaalsContact OD2-CB 3.25Å; D25-M28 WeakPolarHBondContact OD2-CB 3.49Å; D25-Y52 WeakPolarHBondContact OD2-CE1 3.26Å; D25-Y52 PolarHBondContact OD2-OH 3.09Å; D25-R65 WeakPolarHBondContact OD2-CD 3.47Å; D25-R65 IonicContact OD2-NE 3.07Å; D25-E100 PolarHBondContact N-O 2.99Å; D25-T101 WeakPolarHBondContact O-CA 3.44Å
26	R	87.7	Confident	95.3	Very high	103 Å²	103	44.6 Å²	44.6	39%	0.389	23%	0.231	S	C	.	.	S	Bend	trans	-122.8	-46.1	-179.8	-59.1	176.9	-173.5	-165.3	-12.3	111.9	S102 N103	R26-S102 CarbonylContact O-C 3.59Å; R26-S102 WeakPolarHBondContact O-CA 3.23Å; R26-S102 WeakPolarHBondContact O-CB 3.48Å; R26-S102 PolarHBondContact O-N 3.14Å; R26-S102 PolarHBondContact O-OG 2.8Å; R26-N103 PolarHBondContact O-N 2.98Å
27	N	90.6	Very high	95.2	Very high	71 Å²	71	40.4 Å²	40.4	38%	0.38	23%	0.227	S	C	.	.	S	Bend	trans	-138.8	-0.3	-170.1	-65.6	-31.2	0	0	0	112.3	D25 T101 N103	D25-N27 PolarHBondContact OD1-N 3.16Å; N27-T101 PolarHBondContact N-OG1 2.76Å; N27-N103 HydrophobicContact CB-CB 4.46Å; N27-N103 WeakPolarHBondContact OD1-CB 3.47Å; N27-N103 PolarHBondContact OD1-ND2 2.83Å
28	M	93.1	Very high	95	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.059	24%	0.24	C	C	.	.			trans	-85.6	130.4	-174.3	-163	59.2	63.9	0	0	110.3	D25 V30 I50 P83 R84 V85 T101 G104	D25-M28 HydrophobicContact CB-CB 4.24Å; D25-M28 WeakPolarHBondContact OD1-CB 3.06Å; D25-M28 PolarHBondContact OD1-N 2.69Å; D25-M28 VanDerWaalsContact OD2-CB 3.25Å; D25-M28 WeakPolarHBondContact OD2-CB 3.49Å; M28-V30 WeakPolarHBondContact O-CG2 3.31Å; M28-V30 PolarHBondContact O-N 2.83Å; M28-I50 HydrophobicContact CE-CD1 3.98Å; M28-I50 HydrophobicContact CE-CG1 4.36Å; M28-I50 HydrophobicContact CE-CG2 4.04Å; M28-P83 HydrophobicContact CE-CB 3.76Å; M28-P83 HydrophobicContact CE-CG 3.95Å; M28-P83 HydrophobicContact SD-CB 3.66Å; M28-P83 HydrophobicContact SD-CG 3.96Å; M28-R84 WeakPolarHBondContact SD-CA 3.27Å; M28-R84 PolarHBondContact SD-N 3.05Å; M28-R84 VanDerWaalsContact SD-N 3.39Å; M28-V85 HydrophobicContact CG-CB 4.41Å; M28-V85 HydrophobicContact CG-CG2 3.87Å; M28-T101 PolarHBondContact O-OG1 3.2Å; M28-G104 WeakPolarHBondContact O-CA 3.32Å
29	P	96.2	Very high	94.9	Very high	33 Å²	33	48.9 Å²	48.9	21%	0.214	26%	0.261	C	S	.	.			trans	-57.5	131.5	161.9	-23.4	34.6	0	0	0	110.5	R84 V85 K105	P29-R84 HydrophobicContact CB-CB 4.21Å; P29-R84 WeakPolarHBondContact O-CA 3.12Å; P29-V85 PolarHBondContact O-N 2.89Å; P29-K105 CarbonylContact C-O 3.55Å; P29-K105 VanDerWaalsContact CA-O 3.23Å; P29-K105 WeakPolarHBondContact CA-O 3.05Å; P29-K105 HydrophobicContact CB-CB 4.3Å
30	V	97.8	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.6	178.1	-167.2	0	0	0	0	108.3	V23 M28 I32 V85 I87 V99 K105 L106 S107	V23-V30 HydrophobicContact CG1-CG1 4.27Å; V23-V30 HydrophobicContact CG1-CG2 4.38Å; M28-V30 WeakPolarHBondContact O-CG2 3.31Å; M28-V30 PolarHBondContact O-N 2.83Å; V30-I32 HydrophobicContact CB-CD1 4.3Å; V30-I32 HydrophobicContact CG1-CD1 3.57Å; V30-I32 HydrophobicContact CG1-CG1 4.19Å; V30-V85 WeakPolarHBondContact CA-O 3.28Å; V30-V85 HydrophobicContact CG1-CB 4.25Å; V30-V85 HydrophobicContact CG1-CG1 4Å; V30-V85 HydrophobicContact CG2-CB 4.43Å; V30-I87 HydrophobicContact CG1-CD1 4.4Å; V30-V99 HydrophobicContact CB-CG1 4.14Å; V30-V99 HydrophobicContact CG1-CG1 4.09Å; V30-V99 HydrophobicContact CG2-CG1 4.29Å; V30-K105 PolarHBondContact N-O 2.88Å; V30-L106 HydrophobicContact CB-CD2 3.74Å; V30-L106 HydrophobicContact CG2-CD2 4.03Å; V30-S107 PolarHBondContact O-N 2.84Å
31	D	98.3	Very high	95	Very high	30 Å²	30	44.4 Å²	44.4	16%	0.16	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.4	174.6	-55.4	-68.5	0	0	0	108.3	R84 V85 T86 I87 K105 S107	D31-R84 IonicContact OD2-NE 2.61Å; D31-R84 PolarHBondContact OD2-NE 3.18Å; D31-V85 PolarHBondContact N-O 2.91Å; D31-T86 CarbonylContact O-C 3.51Å; D31-T86 VanDerWaalsContact O-CA 3.26Å; D31-T86 WeakPolarHBondContact O-CA 3.49Å; D31-I87 PolarHBondContact O-N 3.31Å; D31-K105 IonicContact OD1-NZ 2.68Å; D31-K105 PolarHBondContact OD1-NZ 3.38Å; D31-S107 CarbonylContact C-O 3.54Å; D31-S107 WeakPolarHBondContact CA-O 3.34Å; D31-S107 WeakPolarHBondContact OD1-CB 3.37Å
32	I	98.6	Very high	95	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.4	178.2	-55.1	89.2	0	0	0	108.5	V30 I87 V89 L97 V99 S107 T108 E109 L111	V30-I32 HydrophobicContact CB-CD1 4.3Å; V30-I32 HydrophobicContact CG1-CD1 3.57Å; V30-I32 HydrophobicContact CG1-CG1 4.19Å; I32-I87 CarbonylContact C-O 3.55Å; I32-I87 WeakPolarHBondContact CA-O 3.27Å; I32-I87 HydrophobicContact CG1-CB 4.23Å; I32-I87 HydrophobicContact CG1-CD1 4.38Å; I32-I87 HydrophobicContact CG2-CB 4.43Å; I32-V89 HydrophobicContact CG2-CG1 4.37Å; I32-V89 HydrophobicContact CG2-CG2 4.12Å; I32-L97 HydrophobicContact CB-CD2 4.32Å; I32-L97 HydrophobicContact CG1-CD2 4.43Å; I32-L97 HydrophobicContact CG2-CD2 3.92Å; I32-V99 HydrophobicContact CD1-CG1 4.35Å; I32-V99 HydrophobicContact CD1-CG2 3.85Å; I32-V99 HydrophobicContact CG1-CG2 4.45Å; I32-S107 PolarHBondContact N-O 2.88Å; I32-T108 HydrophobicContact CB-CG2 4.33Å; I32-T108 HydrophobicContact CD1-CG2 4.24Å; I32-T108 CarbonylContact O-C 3.52Å; I32-T108 VanDerWaalsContact O-CA 3.31Å; I32-T108 WeakPolarHBondContact O-CA 3.48Å; I32-E109 PolarHBondContact O-N 3.5Å; I32-L111 HydrophobicContact CG2-CD1 4.45Å; I32-L111 HydrophobicContact CG2-CD2 4.49Å
33	V	98.3	Very high	94.9	Very high	37 Å²	37	44.8 Å²	44.8	22%	0.224	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.1	-178	62.7	0	0	0	0	111	V35 I87 E88 V89 E109	V33-V35 HydrophobicContact CG1-CG1 4.16Å; V33-I87 PolarHBondContact N-O 2.99Å; V33-E88 HydrophobicContact CG1-CB 4.37Å; V33-E88 HydrophobicContact CG1-CG 3.74Å; V33-E88 CarbonylContact O-C 3.53Å; V33-E88 VanDerWaalsContact O-CA 3.31Å; V33-E88 WeakPolarHBondContact O-CA 3.5Å; V33-V89 PolarHBondContact O-N 2.78Å; V33-E109 CarbonylContact C-O 3.58Å; V33-E109 WeakPolarHBondContact CA-O 3.27Å; V33-E109 HydrophobicContact CG2-CB 4.31Å
34	G	97.8	Very high	94.8	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	132.7	169	0	0	0	0	0	110.7	V89 E109 N110	G34-V89 CarbonylContact C-O 3.57Å; G34-V89 WeakPolarHBondContact CA-O 3.33Å; G34-E109 PolarHBondContact N-O 2.86Å; G34-N110 VanDerWaalsContact CA-O 3.26Å; G34-N110 WeakPolarHBondContact CA-O 3.27Å; G34-N110 PolarHBondContact O-ND2 3.34Å
35	V	96.7	Very high	94.4	Very high	37 Å²	37	44.2 Å²	44.2	22%	0.224	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	156.8	179.7	-60.8	0	0	0	0	111.6	V33 G37 E88 V89 K91	V33-V35 HydrophobicContact CG1-CG1 4.16Å; V35-G37 PolarHBondContact O-N 2.82Å; V35-E88 HydrophobicContact CG1-CB 3.94Å; V35-E88 HydrophobicContact CG1-CG 3.94Å; V35-E88 HydrophobicContact CG2-CB 3.92Å; V35-V89 PolarHBondContact N-O 2.85Å; V35-K91 PolarHBondContact O-N 2.83Å
36	S	90	Very high	94.2	Very high	125 Å²	125	48.1 Å²	48.1	87%	0.874	25%	0.252	S	S	*	.	S	Bend	trans	-67.6	121.3	164.8	57.4	0	0	0	0	109.4
37	G	86.9	Confident	94.2	Very high	51 Å²	51	43.7 Å²	43.7	53%	0.526	24%	0.237	S	C	.	.	S	Bend	trans	157	-170.7	-179.9	0	0	0	0	0	112.9	V35	V35-G37 PolarHBondContact O-N 2.82Å
38	N	87.7	Confident	94	Very high	103 Å²	103	48.6 Å²	48.6	55%	0.551	25%	0.25	S	C	*	.	S	Bend	trans	-128.3	1.6	-178.2	64.5	-14.5	0	0	0	114.1
39	R	92.2	Very high	93.5	Very high	115 Å²	115	49.6 Å²	49.6	43%	0.434	26%	0.256	S	S	.	.	S	Bend	trans	-126.8	144.8	-176.1	-62.8	175	77	172.3	2	110	T13 T14	T13-R39 HydrophobicContact CG2-CB 4.03Å; T14-R39 PolarHBondContact O-NE 2.81Å; T14-R39 PolarHBondContact O-NH2 3.26Å
40	T	97	Very high	93.2	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	25%	0.25	C	C	.	.			trans	-88.7	134.6	171	-61.6	0	0	0	0	108.7	T13 T14 V18 L61 I87 E88 V89 P90	T13-T40 WeakPolarHBondContact CA-O 3.48Å; T14-T40 PolarHBondContact N-O 2.77Å; T14-T40 PolarHBondContact OG1-N 2.68Å; V18-T40 WeakPolarHBondContact CG2-OG1 3.4Å; T40-L61 HydrophobicContact CG2-CD2 3.7Å; T40-I87 HydrophobicContact CG2-CG2 3.9Å; T40-E88 CarbonylContact C-O 3.58Å; T40-E88 VanDerWaalsContact CA-O 3.23Å; T40-E88 WeakPolarHBondContact CA-O 3.26Å; T40-E88 WeakPolarHBondContact CG2-O 3.35Å; T40-V89 HydrophobicContact CG2-CG1 3.93Å; T40-P90 WeakPolarHBondContact OG1-CD 3.42Å
41	R	97.5	Very high	92.9	Very high	102 Å²	102	53 Å²	53	39%	0.385	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.5	179.3	-179.9	169.2	59	169.2	-1.1	110	T11 F12 I87 E88	T11-R41 HydrophobicContact CG2-CG 3.66Å; F12-R41 CarbonylContact O-C 3.52Å; F12-R41 WeakPolarHBondContact O-CA 3.33Å; R41-I87 CarbonylContact O-C 3.52Å; R41-I87 WeakPolarHBondContact O-CA 3.42Å; R41-E88 HydrophobicContact CB-CB 4.35Å; R41-E88 IonicContact CZ-OE1 2.69Å; R41-E88 IonicContact CZ-OE2 3.54Å; R41-E88 PolarHBondContact N-O 2.82Å; R41-E88 IonicContact NE-OE1 3.81Å; R41-E88 IonicContact NE-OE2 3.48Å; R41-E88 PolarHBondContact NE-OE2 2.96Å; R41-E88 IonicContact NH2-OE1 2.98Å; R41-E88 PolarHBondContact NH2-OE1 2.91Å; R41-E88 IonicContact NH2-OE2 3.44Å; R41-E88 PolarHBondContact NH2-OE2 2.92Å; R41-E88 PolarHBondContact O-N 2.93Å
42	I	98.2	Very high	92.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.4	176.9	-53.3	175.9	0	0	0	107.6	T11 F12 Y44 I54 L61 L63 V85 I87	T11-I42 CarbonylContact C-O 3.55Å; T11-I42 VanDerWaalsContact CA-O 3.31Å; T11-I42 WeakPolarHBondContact CA-O 3.39Å; F12-I42 HydrophobicContact CB-CB 4.32Å; F12-I42 HydrophobicContact CD1-CD1 4.14Å; F12-I42 HydrophobicContact CD1-CG1 4.45Å; F12-I42 PolarHBondContact N-O 3.12Å; F12-I42 PolarHBondContact O-N 2.86Å; I42-Y44 HydrophobicContact CG2-CD1 3.88Å; I42-I54 HydrophobicContact CD1-CD1 4.39Å; I42-I54 HydrophobicContact CD1-CG2 4.14Å; I42-L61 HydrophobicContact CD1-CD2 3.89Å; I42-L61 HydrophobicContact CD1-CG 4.49Å; I42-L61 HydrophobicContact CG1-CD2 4.48Å; I42-L63 HydrophobicContact CD1-CB 4.42Å; I42-L63 HydrophobicContact CG2-CD1 4.41Å; I42-L63 HydrophobicContact CG2-CD2 4.06Å; I42-V85 HydrophobicContact CG2-CG1 4.18Å; I42-I87 HydrophobicContact CG1-CG1 4.36Å; I42-I87 HydrophobicContact CG1-CG2 4.17Å; I42-I87 HydrophobicContact CG2-CG1 4.3Å
43	N	97.6	Very high	92.7	Very high	43 Å²	43	53.8 Å²	53.8	23%	0.23	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.9	171.9	-60.8	-65.7	0	0	0	109	E10 T11 V85 T86	E10-N43 WeakPolarHBondContact O-CA 3.33Å; T11-N43 WeakPolarHBondContact CG2-OD1 3.32Å; T11-N43 PolarHBondContact OG1-OD1 2.93Å; N43-V85 WeakPolarHBondContact O-CA 3.47Å; N43-T86 PolarHBondContact N-O 2.89Å; N43-T86 PolarHBondContact O-N 2.96Å
44	Y	95.3	Very high	92.6	Very high	31 Å²	31	53.6 Å²	53.6	12%	0.122	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.7	-177.3	64.3	-79.6	0	0	0	111.4	E10 I42 K46 Y52 I54	E10-Y44 HydrophobicContact CB-CD1 4.17Å; E10-Y44 HydrophobicContact CB-CD2 4.22Å; E10-Y44 HydrophobicContact CB-CE1 3.72Å; E10-Y44 HydrophobicContact CB-CE2 3.77Å; E10-Y44 HydrophobicContact CB-CG 4.41Å; E10-Y44 HydrophobicContact CG-CE2 4.02Å; E10-Y44 PolarHBondContact N-O 2.83Å; E10-Y44 PolarHBondContact O-N 2.84Å; I42-Y44 HydrophobicContact CG2-CD1 3.88Å; Y44-K46 HydrophobicContact CE2-CB 4.27Å; Y44-Y52 AromaticContact CD2-CD2 3.5Å; Y44-Y52 HydrophobicContact CD2-CD2 3.5Å; Y44-Y52 AromaticContact CD2-CE2 3.82Å; Y44-Y52 HydrophobicContact CD2-CE2 3.82Å; Y44-Y52 AromaticContact CE2-CD2 3.78Å; Y44-Y52 HydrophobicContact CE2-CD2 3.78Å; Y44-Y52 HydrophobicContact CG-CD2 4.23Å; Y44-Y52 HydrophobicContact CG-CE2 4.38Å; Y44-I54 HydrophobicContact CD1-CD1 4.43Å; Y44-I54 HydrophobicContact CE1-CD1 3.59Å
45	K	90.9	Very high	92.6	Very high	25 Å²	25	59.1 Å²	59.1	11%	0.109	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	141.2	170.5	-67.9	-165.1	179.9	-177.8	0	111	M7 S8 I50 S81 P83	M7-K45 HydrophobicContact CB-CD 4.19Å; M7-K45 HydrophobicContact SD-CB 4.37Å; M7-K45 HydrophobicContact SD-CD 3.72Å; S8-K45 CarbonylContact O-C 3.53Å; S8-K45 VanDerWaalsContact O-CA 3.28Å; S8-K45 WeakPolarHBondContact O-CA 3.13Å; K45-I50 WeakPolarHBondContact O-CG2 3.48Å; K45-S81 PolarHBondContact NZ-O 3.05Å; K45-S81 PolarHBondContact NZ-OG 2.8Å; K45-P83 HydrophobicContact CB-CB 4.14Å; K45-P83 HydrophobicContact CD-CB 4.13Å; K45-P83 HydrophobicContact CG-CB 4.44Å
46	K	89.6	Confident	92.5	Very high	88 Å²	88	59.9 Å²	59.9	38%	0.383	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.9	175	-177	-179.5	177.1	-174.8	0	110.1	M7 S8 E10 Y44 I50	M7-K46 CarbonylContact C-O 3.52Å; M7-K46 VanDerWaalsContact CA-O 3.28Å; M7-K46 WeakPolarHBondContact CA-O 3.46Å; S8-K46 PolarHBondContact N-O 3.35Å; S8-K46 PolarHBondContact O-N 3.06Å; E10-K46 HydrophobicContact CG-CB 3.53Å; E10-K46 HydrophobicContact CG-CD 3.89Å; E10-K46 HydrophobicContact CG-CG 4.4Å; Y44-K46 HydrophobicContact CE2-CB 4.27Å; K46-I50 CarbonylContact C-O 3.56Å; K46-I50 WeakPolarHBondContact CA-O 3.41Å; K46-I50 WeakPolarHBondContact CG-O 3.16Å
47	S	88.4	Confident	92.8	Very high	10 Å²	10	58.5 Å²	58.5	7%	0.07	28%	0.279	C	S	.	.			trans	-146.9	-170.7	175.9	82.5	0	0	0	0	110.2	N5 D49 I50 K51	N5-S47 PolarHBondContact ND2-OG 3Å; N5-S47 VanDerWaalsContact OD1-CB 3.29Å; N5-S47 WeakPolarHBondContact OD1-CB 3.33Å; N5-S47 PolarHBondContact OD1-OG 2.82Å; S47-D49 PolarHBondContact O-N 2.87Å; S47-D49 PolarHBondContact OG-N 3.35Å; S47-D49 VanDerWaalsContact OG-N 3.15Å; S47-I50 PolarHBondContact N-O 3.16Å; S47-I50 VanDerWaalsContact O-O 3.13Å; S47-I50 PolarHBondContact OG-N 3.16Å; S47-K51 WeakPolarHBondContact O-CE 3.5Å
48	R	84.8	Confident	93	Very high	173 Å²	173	62.5 Å²	62.5	65%	0.653	29%	0.289	S	S	*	.	S	Bend	trans	-58.6	-38.9	171.8	-177.4	176.1	174.4	144.9	-1.2	111.4	N5 K51	N5-R48 WeakPolarHBondContact OD1-CB 3.31Å; N5-R48 PolarHBondContact OD1-N 2.61Å; N5-R48 VanDerWaalsContact OD1-N 3.16Å; R48-K51 WeakPolarHBondContact O-CE 3.32Å; R48-K51 PolarHBondContact O-NZ 2.97Å
49	D	84.4	Confident	93.3	Very high	33 Å²	33	60.9 Å²	60.9	18%	0.176	28%	0.28	C	S	.	.	S	Bend	trans	-101.9	-18.1	-174	-54.6	-56.6	0	0	0	113.2	N5 S47 R65 S68	N5-D49 PolarHBondContact ND2-OD2 3.2Å; S47-D49 PolarHBondContact O-N 2.87Å; S47-D49 PolarHBondContact OG-N 3.35Å; S47-D49 VanDerWaalsContact OG-N 3.15Å; D49-R65 PolarHBondContact O-NH1 2.82Å; D49-R65 PolarHBondContact O-NH2 2.85Å; D49-S68 PolarHBondContact OD1-OG 2.99Å
50	I	89.2	Confident	93.5	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.087	27%	0.27	C	S	.	.			trans	-104.1	101.2	174.6	-50.9	168.1	0	0	0	110	M7 M28 K45 K46 S47 Y52 P83	M7-I50 HydrophobicContact SD-CD1 4.36Å; M28-I50 HydrophobicContact CE-CD1 3.98Å; M28-I50 HydrophobicContact CE-CG1 4.36Å; M28-I50 HydrophobicContact CE-CG2 4.04Å; K45-I50 WeakPolarHBondContact O-CG2 3.48Å; K46-I50 CarbonylContact C-O 3.56Å; K46-I50 WeakPolarHBondContact CA-O 3.41Å; K46-I50 WeakPolarHBondContact CG-O 3.16Å; S47-I50 PolarHBondContact N-O 3.16Å; S47-I50 VanDerWaalsContact O-O 3.13Å; S47-I50 PolarHBondContact OG-N 3.16Å; I50-Y52 HydrophobicContact CG2-CD2 4.44Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å; I50-P83 HydrophobicContact CD1-CB 3.91Å; I50-P83 HydrophobicContact CD1-CG 4.01Å
51	K	91.8	Very high	93.6	Very high	89 Å²	89	57.1 Å²	57.1	39%	0.387	27%	0.27	S	S	.	.			trans	-140.1	142.2	178.3	-65.9	172.4	-177.3	151.2	0	109.2	S47 R48 K66	S47-K51 WeakPolarHBondContact O-CE 3.5Å; R48-K51 WeakPolarHBondContact O-CE 3.32Å; R48-K51 PolarHBondContact O-NZ 2.97Å; K51-K66 HydrophobicContact CB-CB 4.18Å; K51-K66 HydrophobicContact CB-CD 4.28Å; K51-K66 PolarHBondContact O-N 2.92Å
52	Y	95.6	Very high	93.6	Very high	19 Å²	19	54.4 Å²	54.4	8%	0.075	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.8	177.4	-66.4	-86.2	0	0	0	111.4	D25 Y44 I50 L63 E64 R65 K66 V85	D25-Y52 WeakPolarHBondContact OD2-CE1 3.26Å; D25-Y52 PolarHBondContact OD2-OH 3.09Å; Y44-Y52 AromaticContact CD2-CD2 3.5Å; Y44-Y52 HydrophobicContact CD2-CD2 3.5Å; Y44-Y52 AromaticContact CD2-CE2 3.82Å; Y44-Y52 HydrophobicContact CD2-CE2 3.82Å; Y44-Y52 AromaticContact CE2-CD2 3.78Å; Y44-Y52 HydrophobicContact CE2-CD2 3.78Å; Y44-Y52 HydrophobicContact CG-CD2 4.23Å; Y44-Y52 HydrophobicContact CG-CE2 4.38Å; I50-Y52 HydrophobicContact CG2-CD2 4.44Å; I50-Y52 HydrophobicContact CG2-CE2 3.66Å; Y52-L63 HydrophobicContact CD1-CD1 3.48Å; Y52-L63 VanDerWaalsContact CD1-CD1 3.48Å; Y52-L63 HydrophobicContact CD1-CD2 4.49Å; Y52-L63 HydrophobicContact CD1-CG 3.8Å; Y52-L63 HydrophobicContact CD2-CD1 4.4Å; Y52-L63 HydrophobicContact CE1-CD1 4.25Å; Y52-L63 HydrophobicContact CE1-CG 4.25Å; Y52-L63 HydrophobicContact CG-CD1 3.57Å; Y52-L63 HydrophobicContact CG-CG 4.4Å; Y52-E64 CarbonylContact C-O 3.55Å; Y52-E64 VanDerWaalsContact CA-O 3.27Å; Y52-E64 WeakPolarHBondContact CA-O 3.23Å; Y52-R65 HydrophobicContact CD1-CB 4.36Å; Y52-R65 HydrophobicContact CE1-CB 4.09Å; Y52-R65 VanDerWaalsContact CE1-CD 3.44Å; Y52-R65 HydrophobicContact CE1-CG 4.41Å; Y52-K66 WeakPolarHBondContact O-CE 3.29Å; Y52-V85 HydrophobicContact CE1-CG2 4.37Å; Y52-V85 HydrophobicContact CE2-CG2 4.24Å; Y52-V85 WeakPolarHBondContact OH-CG2 3.31Å
53	N	96.4	Very high	93.6	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.16	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	110.1	160.9	176.5	38.4	0	0	0	107.1	K55 E64 K66	N53-K55 WeakPolarHBondContact OD1-CE 3.17Å; N53-K55 WeakPolarHBondContact OD1-CG 3.45Å; N53-E64 HydrophobicContact CB-CB 4.34Å; N53-E64 PolarHBondContact N-O 2.94Å; N53-E64 PolarHBondContact ND2-OE2 2.89Å; N53-E64 PolarHBondContact O-N 3.15Å; N53-K66 HydrophobicContact CB-CG 4.28Å
54	I	97.5	Very high	93.6	Very high	32 Å²	32	56.6 Å²	56.6	16%	0.164	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.7	177.3	-56.2	176.6	0	0	0	107.7	F12 I42 Y44 L61 T62 L63	F12-I54 HydrophobicContact CB-CD1 3.9Å; F12-I54 HydrophobicContact CD1-CG2 3.68Å; F12-I54 HydrophobicContact CD2-CG2 4.06Å; F12-I54 HydrophobicContact CE1-CG2 3.65Å; F12-I54 HydrophobicContact CE2-CG2 4.04Å; F12-I54 HydrophobicContact CG-CD1 4.19Å; F12-I54 HydrophobicContact CG-CG2 3.88Å; F12-I54 HydrophobicContact CZ-CG2 3.84Å; I42-I54 HydrophobicContact CD1-CD1 4.39Å; I42-I54 HydrophobicContact CD1-CG2 4.14Å; Y44-I54 HydrophobicContact CD1-CD1 4.43Å; Y44-I54 HydrophobicContact CE1-CD1 3.59Å; I54-L61 HydrophobicContact CG2-CD1 4.03Å; I54-T62 VanDerWaalsContact CA-O 3.32Å; I54-T62 WeakPolarHBondContact CA-O 3.47Å; I54-L63 HydrophobicContact CD1-CD1 3.74Å; I54-L63 HydrophobicContact CG1-CD1 3.44Å; I54-L63 VanDerWaalsContact CG1-CD1 3.44Å
55	K	96.5	Very high	93.6	Very high	118 Å²	118	56.9 Å²	56.9	51%	0.513	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	139.9	-178.6	-70.8	179.4	175.7	169.7	0	110.4	N53 T62	N53-K55 WeakPolarHBondContact OD1-CE 3.17Å; N53-K55 WeakPolarHBondContact OD1-CG 3.45Å; K55-T62 PolarHBondContact N-O 2.69Å; K55-T62 PolarHBondContact O-N 3.33Å; K55-T62 PolarHBondContact O-OG1 2.94Å
56	Q	95.5	Very high	93.7	Very high	52 Å²	52	60.6 Å²	60.6	24%	0.243	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.5	169.8	-175.4	173.4	-3.2	0	0	109.3	S17 N58 T60 L61	S17-Q56 PolarHBondContact O-NE2 3.19Å; S17-Q56 VanDerWaalsContact O-NE2 3.16Å; Q56-N58 PolarHBondContact NE2-O 3.17Å; Q56-N58 VanDerWaalsContact NE2-O 3.14Å; Q56-T60 VanDerWaalsContact CA-O 3.32Å; Q56-T60 WeakPolarHBondContact CA-O 3.39Å; Q56-L61 HydrophobicContact CB-CD1 3.97Å
57	T	95	Very high	93.4	Very high	97 Å²	97	66.6 Å²	66.6	60%	0.595	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	118.9	172	-57.5	0	0	0	0	107.4	N59 T60	T57-N59 PolarHBondContact O-N 2.78Å; T57-N59 VanDerWaalsContact O-N 3.16Å; T57-T60 PolarHBondContact N-O 3.29Å; T57-T60 PolarHBondContact O-N 3.16Å
58	N	92.7	Very high	92.6	Very high	135 Å²	135	68.2 Å²	68.2	72%	0.722	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	-119.1	-172.3	-57.3	-33.4	0	0	0	111.5	Q56	Q56-N58 PolarHBondContact NE2-O 3.17Å; Q56-N58 VanDerWaalsContact NE2-O 3.14Å
59	N	93.6	Very high	91.6	Very high	69 Å²	69	68.1 Å²	68.1	37%	0.369	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.6	179.8	-62.7	-32.2	0	0	0	113.2	V18 R19 E20 T57	V18-N59 WeakPolarHBondContact CA-O 3.41Å; R19-N59 HydrophobicContact CB-CB 3.93Å; R19-N59 HydrophobicContact CG-CB 4.06Å; R19-N59 PolarHBondContact N-O 2.88Å; E20-N59 PolarHBondContact N-O 3.37Å; T57-N59 PolarHBondContact O-N 2.78Å; T57-N59 VanDerWaalsContact O-N 3.16Å
60	T	97	Very high	90.2	Very high	37 Å²	37	68.3 Å²	68.3	23%	0.227	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	121.6	-178.9	-48.8	0	0	0	0	109.4	E20 Q56 T57 T62	E20-T60 HydrophobicContact CB-CG2 4.14Å; E20-T60 VanDerWaalsContact CD-CG2 3.49Å; E20-T60 HydrophobicContact CG-CG2 3.85Å; E20-T60 CarbonylContact O-C 3.58Å; E20-T60 WeakPolarHBondContact O-CA 3.28Å; E20-T60 WeakPolarHBondContact OE2-CB 3.09Å; E20-T60 VanDerWaalsContact OE2-CG2 3.25Å; E20-T60 WeakPolarHBondContact OE2-CG2 3.47Å; E20-T60 PolarHBondContact OE2-OG1 3.48Å; Q56-T60 VanDerWaalsContact CA-O 3.32Å; Q56-T60 WeakPolarHBondContact CA-O 3.39Å; T57-T60 PolarHBondContact N-O 3.29Å; T57-T60 PolarHBondContact O-N 3.16Å; T60-T62 HydrophobicContact CG2-CG2 4.19Å
61	L	98	Very high	88.4	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.7	172.5	-178.6	66.2	0	0	0	109	F12 T14 V18 E20 L21 V22 T40 I42 I54 Q56	F12-L61 HydrophobicContact CE1-CD1 3.79Å; F12-L61 HydrophobicContact CZ-CD1 4.39Å; T14-L61 HydrophobicContact CG2-CD1 4.1Å; T14-L61 HydrophobicContact CG2-CD2 3.7Å; T14-L61 HydrophobicContact CG2-CG 4.48Å; V18-L61 HydrophobicContact CG1-CB 3.78Å; V18-L61 HydrophobicContact CG2-CB 3.93Å; V18-L61 HydrophobicContact CG2-CD2 4.1Å; E20-L61 PolarHBondContact O-N 3.39Å; L21-L61 WeakPolarHBondContact CA-O 3.28Å; L21-L61 HydrophobicContact CD1-CB 4.19Å; L21-L61 HydrophobicContact CD1-CD2 4.13Å; L21-L61 HydrophobicContact CD1-CG 4.16Å; L21-L61 WeakPolarHBondContact CD1-O 3.33Å; V22-L61 PolarHBondContact N-O 3Å; T40-L61 HydrophobicContact CG2-CD2 3.7Å; I42-L61 HydrophobicContact CD1-CD2 3.89Å; I42-L61 HydrophobicContact CD1-CG 4.49Å; I42-L61 HydrophobicContact CG1-CD2 4.48Å; I54-L61 HydrophobicContact CG2-CD1 4.03Å; Q56-L61 HydrophobicContact CB-CD1 3.97Å
62	T	98.4	Very high	86.1	Confident	44 Å²	44	78.3 Å²	78.3	27%	0.27	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	137.3	176.4	65.5	0	0	0	0	111.1	V22 I54 K55 T60	V22-T62 HydrophobicContact CB-CG2 4.26Å; V22-T62 CarbonylContact O-C 3.53Å; V22-T62 VanDerWaalsContact O-CA 3.31Å; V22-T62 WeakPolarHBondContact O-CA 3.46Å; I54-T62 VanDerWaalsContact CA-O 3.32Å; I54-T62 WeakPolarHBondContact CA-O 3.47Å; K55-T62 PolarHBondContact N-O 2.69Å; K55-T62 PolarHBondContact O-N 3.33Å; K55-T62 PolarHBondContact O-OG1 2.94Å; T60-T62 HydrophobicContact CG2-CG2 4.19Å
63	L	98.4	Very high	83.5	Confident	1 Å²	1	86.4 Å²	86.4	1%	0.005	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	104.6	171.8	173.4	71.3	0	0	0	108	V22 V23 D24 I42 Y52 I54 V85 I87	V22-L63 PolarHBondContact O-N 3.06Å; V23-L63 WeakPolarHBondContact CA-O 3.49Å; V23-L63 HydrophobicContact CG1-CB 4.48Å; V23-L63 HydrophobicContact CG1-CD2 3.96Å; V23-L63 HydrophobicContact CG1-CG 4.42Å; V23-L63 HydrophobicContact CG2-CB 4.28Å; V23-L63 HydrophobicContact CG2-CD2 4.43Å; D24-L63 PolarHBondContact N-O 2.85Å; I42-L63 HydrophobicContact CD1-CB 4.42Å; I42-L63 HydrophobicContact CG2-CD1 4.41Å; I42-L63 HydrophobicContact CG2-CD2 4.06Å; Y52-L63 HydrophobicContact CD1-CD1 3.48Å; Y52-L63 VanDerWaalsContact CD1-CD1 3.48Å; Y52-L63 HydrophobicContact CD1-CD2 4.49Å; Y52-L63 HydrophobicContact CD1-CG 3.8Å; Y52-L63 HydrophobicContact CD2-CD1 4.4Å; Y52-L63 HydrophobicContact CE1-CD1 4.25Å; Y52-L63 HydrophobicContact CE1-CG 4.25Å; Y52-L63 HydrophobicContact CG-CD1 3.57Å; Y52-L63 HydrophobicContact CG-CG 4.4Å; I54-L63 HydrophobicContact CD1-CD1 3.74Å; I54-L63 HydrophobicContact CG1-CD1 3.44Å; I54-L63 VanDerWaalsContact CG1-CD1 3.44Å; L63-V85 HydrophobicContact CD2-CG1 3.56Å; L63-V85 HydrophobicContact CD2-CG2 4.22Å; L63-I87 HydrophobicContact CD2-CD1 4.14Å
64	E	97.6	Very high	81	Confident	89 Å²	89	89.6 Å²	89.6	42%	0.416	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129	-174.2	-176.4	-161.2	166.4	0	0	110.9	D24 Y52 N53 K66	D24-E64 HydrophobicContact CB-CG 4.43Å; Y52-E64 CarbonylContact C-O 3.55Å; Y52-E64 VanDerWaalsContact CA-O 3.27Å; Y52-E64 WeakPolarHBondContact CA-O 3.23Å; N53-E64 HydrophobicContact CB-CB 4.34Å; N53-E64 PolarHBondContact N-O 2.94Å; N53-E64 PolarHBondContact ND2-OE2 2.89Å; N53-E64 PolarHBondContact O-N 3.15Å; E64-K66 PolarHBondContact O-N 2.98Å
65	R	94.6	Very high	78.6	Confident	37 Å²	37	96.2 Å²	96.2	14%	0.14	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.6	178.6	-170.8	69.3	164.8	82.8	4.2	111.5	D24 D25 D49 Y52	D24-R65 WeakPolarHBondContact O-CB 3.31Å; D24-R65 PolarHBondContact O-N 2.9Å; D25-R65 WeakPolarHBondContact OD2-CD 3.47Å; D25-R65 IonicContact OD2-NE 3.07Å; D49-R65 PolarHBondContact O-NH1 2.82Å; D49-R65 PolarHBondContact O-NH2 2.85Å; Y52-R65 HydrophobicContact CD1-CB 4.36Å; Y52-R65 HydrophobicContact CE1-CB 4.09Å; Y52-R65 VanDerWaalsContact CE1-CD 3.44Å; Y52-R65 HydrophobicContact CE1-CG 4.41Å
66	K	92	Very high	75.9	Confident	103 Å²	103	98.6 Å²	98.6	45%	0.448	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-66.7	142.7	176.8	-66.4	-172.7	177.5	-177.6	0	111.6	K51 Y52 N53 E64 S68	K51-K66 HydrophobicContact CB-CB 4.18Å; K51-K66 HydrophobicContact CB-CD 4.28Å; K51-K66 PolarHBondContact O-N 2.92Å; Y52-K66 WeakPolarHBondContact O-CE 3.29Å; N53-K66 HydrophobicContact CB-CG 4.28Å; E64-K66 PolarHBondContact O-N 2.98Å; K66-S68 PolarHBondContact O-N 2.5Å
67	R	83.9	Confident	73.3	Confident	214 Å²	214	100.4 Å²	100.4	81%	0.808	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-60.7	129.1	169.5	-58.5	-163.9	174.9	-171.4	-1.9	110.2
68	S	72.2	Confident	70.6	Confident	43 Å²	43	104.9 Å²	104.9	30%	0.301	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-97	134.1	163.1	-165.3	0	0	0	0	108.4	D49 K66 G70	D49-S68 PolarHBondContact OD1-OG 2.99Å; K66-S68 PolarHBondContact O-N 2.5Å; S68-G70 VanDerWaalsContact C-N 3.27Å
69	I	64.1	Low	68.2	Low	172 Å²	172	102.1 Å²	102.1	88%	0.882	51%	0.509	S	S	*	.			trans	-87.9	2.9	-178.6	-58.6	172.2	0	0	0	110.8
70	G	55.2	Low	66.2	Low	37 Å²	37	104.5 Å²	104.5	38%	0.381	52%	0.522	S	S	.	.	S	Bend	trans	-86.6	139	178.2	0	0	0	0	0	113.1	S68 N72	S68-G70 VanDerWaalsContact C-N 3.27Å; G70-N72 PolarHBondContact O-N 2.89Å
71	F	51.2	Low	64.5	Low	199 Å²	199	106.6 Å²	106.6	87%	0.873	54%	0.538	S	S	*	.			trans	-58.7	117.2	168.5	-75.9	-92.4	0	0	0	110.1	F73	F71-F73 PolarHBondContact O-N 2.93Å; F71-F73 VanDerWaalsContact O-N 3.14Å
72	N	43.6	Very low	63.5	Low	117 Å²	117	110.7 Å²	110.7	63%	0.626	57%	0.566	S	S	*	*			trans	-76	93.3	-177.4	-79.7	-24.3	0	0	0	111.6	G70	G70-N72 PolarHBondContact O-N 2.89Å
73	F	40.6	Very low	63.1	Low	188 Å²	188	110.3 Å²	110.3	83%	0.825	57%	0.565	S	S	*	*			trans	-113.7	68.3	162.8	-84.7	-79.3	0	0	0	109.3	F71	F71-F73 PolarHBondContact O-N 2.93Å; F71-F73 VanDerWaalsContact O-N 3.14Å
74	D	43.6	Very low	62.9	Low	97 Å²	97	115.8 Å²	115.8	52%	0.519	59%	0.585	S	S	.	*			trans	-157.2	58.9	173.8	-90.8	-30.7	0	0	0	112.1	F76	D74-F76 VanDerWaalsContact C-N 3.29Å
75	F	47.9	Very low	62.9	Low	172 Å²	172	111.6 Å²	111.6	75%	0.754	57%	0.565	S	S	*	*	S	Bend	trans	-85	-0.7	161.6	-82.7	-81.6	0	0	0	112.7
76	F	39.2	Very low	63	Low	167 Å²	167	111.6 Å²	111.6	73%	0.732	57%	0.57	S	S	*	*			trans	-113.9	42.8	-175.5	-67.7	-74	0	0	0	113.7	D74 F78	D74-F76 VanDerWaalsContact C-N 3.29Å; F76-F78 VanDerWaalsContact C-N 3.26Å; F76-F78 HydrophobicContact CD1-CD2 4.48Å; F76-F78 AromaticContact CD1-CE2 3.96Å; F76-F78 HydrophobicContact CD1-CE2 3.96Å; F76-F78 PolarHBondContact O-N 2.8Å
77	N	41	Very low	63.3	Low	90 Å²	90	106.7 Å²	106.7	48%	0.481	55%	0.549	S	S	.	.			trans	-82.3	77.7	165.3	-95	-29.2	0	0	0	110.2	G79	N77-G79 PolarHBondContact O-N 3.29Å
78	F	36.9	Very low	64	Low	192 Å²	192	98.5 Å²	98.5	84%	0.842	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	115.9	165	-85.6	-89	0	0	0	109.3	F76	F76-F78 VanDerWaalsContact C-N 3.26Å; F76-F78 HydrophobicContact CD1-CD2 4.48Å; F76-F78 AromaticContact CD1-CE2 3.96Å; F76-F78 HydrophobicContact CD1-CE2 3.96Å; F76-F78 PolarHBondContact O-N 2.8Å
79	G	43.7	Very low	65.2	Low	76 Å²	76	96.4 Å²	96.4	78%	0.784	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	123	1.5	160.8	0	0	0	0	0	118.2	N77	N77-G79 PolarHBondContact O-N 3.29Å
80	N	50.9	Low	66.6	Low	120 Å²	120	88.4 Å²	88.4	64%	0.642	46%	0.464	S	S	*	.	S	Bend	trans	-127.9	139.8	171.8	-99	-23.5	0	0	0	109.7	M7 S82	M7-N80 HydrophobicContact CE-CB 4.33Å; N80-S82 PolarHBondContact O-N 3.03Å
81	S	61.3	Low	68.2	Low	81 Å²	81	90 Å²	90	57%	0.566	46%	0.46	S	S	*	.			trans	-42.1	123.9	-179.9	46.5	0	0	0	0	111.5	K45	K45-S81 PolarHBondContact NZ-O 3.05Å; K45-S81 PolarHBondContact NZ-OG 2.8Å
82	S	77.9	Confident	69.7	Low	85 Å²	85	84.7 Å²	84.7	59%	0.594	45%	0.454	S	S	*	.			trans	-52.4	133.2	-178	-53.1	0	0	0	0	109.8	N80	N80-S82 PolarHBondContact O-N 3.03Å
83	P	88.9	Confident	71.7	Confident	37 Å²	37	83.5 Å²	83.5	24%	0.24	44%	0.443	C	S	.	.			trans	-60.4	147.1	178.9	29.8	-36.2	0	0	0	109.8	M7 M28 K45 I50	M7-P83 HydrophobicContact SD-CB 4.34Å; M28-P83 HydrophobicContact CE-CB 3.76Å; M28-P83 HydrophobicContact CE-CG 3.95Å; M28-P83 HydrophobicContact SD-CB 3.66Å; M28-P83 HydrophobicContact SD-CG 3.96Å; K45-P83 HydrophobicContact CB-CB 4.14Å; K45-P83 HydrophobicContact CD-CB 4.13Å; K45-P83 HydrophobicContact CG-CB 4.44Å; I50-P83 HydrophobicContact CD1-CB 3.91Å; I50-P83 HydrophobicContact CD1-CG 4.01Å
84	R	94	Very high	74.3	Confident	116 Å²	116	74.9 Å²	74.9	44%	0.438	41%	0.405	S	S	.	.			trans	-151.1	161.9	173.2	60	170.6	51.3	84.9	8.2	110	M28 P29 D31	M28-R84 WeakPolarHBondContact SD-CA 3.27Å; M28-R84 PolarHBondContact SD-N 3.05Å; M28-R84 VanDerWaalsContact SD-N 3.39Å; P29-R84 HydrophobicContact CB-CB 4.21Å; P29-R84 WeakPolarHBondContact O-CA 3.12Å; D31-R84 IonicContact OD2-NE 2.61Å; D31-R84 PolarHBondContact OD2-NE 3.18Å
85	V	97.5	Very high	76.8	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128.4	165.6	168.8	0	0	0	0	107.6	M28 P29 V30 D31 I42 N43 Y52 L63 I87	M28-V85 HydrophobicContact CG-CB 4.41Å; M28-V85 HydrophobicContact CG-CG2 3.87Å; P29-V85 PolarHBondContact O-N 2.89Å; V30-V85 WeakPolarHBondContact CA-O 3.28Å; V30-V85 HydrophobicContact CG1-CB 4.25Å; V30-V85 HydrophobicContact CG1-CG1 4Å; V30-V85 HydrophobicContact CG2-CB 4.43Å; D31-V85 PolarHBondContact N-O 2.91Å; I42-V85 HydrophobicContact CG2-CG1 4.18Å; N43-V85 WeakPolarHBondContact O-CA 3.47Å; Y52-V85 HydrophobicContact CE1-CG2 4.37Å; Y52-V85 HydrophobicContact CE2-CG2 4.24Å; Y52-V85 WeakPolarHBondContact OH-CG2 3.31Å; L63-V85 HydrophobicContact CD2-CG1 3.56Å; L63-V85 HydrophobicContact CD2-CG2 4.22Å; V85-I87 HydrophobicContact CG1-CD1 4Å; V85-I87 HydrophobicContact CG1-CG1 3.67Å
86	T	98	Very high	79.2	Confident	38 Å²	38	68.4 Å²	68.4	23%	0.233	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.5	171.4	-56.3	0	0	0	0	109	D31 N43	D31-T86 CarbonylContact O-C 3.51Å; D31-T86 VanDerWaalsContact O-CA 3.26Å; D31-T86 WeakPolarHBondContact O-CA 3.49Å; N43-T86 PolarHBondContact N-O 2.89Å; N43-T86 PolarHBondContact O-N 2.96Å
87	I	98.4	Very high	82	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	117.1	-178.2	-48.9	-176.7	0	0	0	109.1	L21 V23 V30 D31 I32 V33 T40 R41 I42 L63 V85 V89	L21-I87 HydrophobicContact CD2-CD1 4Å; L21-I87 HydrophobicContact CD2-CG2 3.75Å; V23-I87 HydrophobicContact CG2-CD1 3.51Å; V30-I87 HydrophobicContact CG1-CD1 4.4Å; D31-I87 PolarHBondContact O-N 3.31Å; I32-I87 CarbonylContact C-O 3.55Å; I32-I87 WeakPolarHBondContact CA-O 3.27Å; I32-I87 HydrophobicContact CG1-CB 4.23Å; I32-I87 HydrophobicContact CG1-CD1 4.38Å; I32-I87 HydrophobicContact CG2-CB 4.43Å; V33-I87 PolarHBondContact N-O 2.99Å; T40-I87 HydrophobicContact CG2-CG2 3.9Å; R41-I87 CarbonylContact O-C 3.52Å; R41-I87 WeakPolarHBondContact O-CA 3.42Å; I42-I87 HydrophobicContact CG1-CG1 4.36Å; I42-I87 HydrophobicContact CG1-CG2 4.17Å; I42-I87 HydrophobicContact CG2-CG1 4.3Å; L63-I87 HydrophobicContact CD2-CD1 4.14Å; V85-I87 HydrophobicContact CG1-CD1 4Å; V85-I87 HydrophobicContact CG1-CG1 3.67Å; I87-V89 HydrophobicContact CG2-CG1 3.83Å
88	E	98	Very high	84.8	Confident	41 Å²	41	59.7 Å²	59.7	19%	0.192	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123.2	169.2	-64.4	170.4	-168.6	0	0	108.8	V33 V35 T40 R41	V33-E88 HydrophobicContact CG1-CB 4.37Å; V33-E88 HydrophobicContact CG1-CG 3.74Å; V33-E88 CarbonylContact O-C 3.53Å; V33-E88 VanDerWaalsContact O-CA 3.31Å; V33-E88 WeakPolarHBondContact O-CA 3.5Å; V35-E88 HydrophobicContact CG1-CB 3.94Å; V35-E88 HydrophobicContact CG1-CG 3.94Å; V35-E88 HydrophobicContact CG2-CB 3.92Å; T40-E88 CarbonylContact C-O 3.58Å; T40-E88 VanDerWaalsContact CA-O 3.23Å; T40-E88 WeakPolarHBondContact CA-O 3.26Å; T40-E88 WeakPolarHBondContact CG2-O 3.35Å; R41-E88 HydrophobicContact CB-CB 4.35Å; R41-E88 IonicContact CZ-OE1 2.69Å; R41-E88 IonicContact CZ-OE2 3.54Å; R41-E88 PolarHBondContact N-O 2.82Å; R41-E88 IonicContact NE-OE1 3.81Å; R41-E88 IonicContact NE-OE2 3.48Å; R41-E88 PolarHBondContact NE-OE2 2.96Å; R41-E88 IonicContact NH2-OE1 2.98Å; R41-E88 PolarHBondContact NH2-OE1 2.91Å; R41-E88 IonicContact NH2-OE2 3.44Å; R41-E88 PolarHBondContact NH2-OE2 2.92Å; R41-E88 PolarHBondContact O-N 2.93Å
89	V	97.5	Very high	87.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.7	179.7	-66.4	0	0	0	0	110.5	L21 I32 V33 G34 V35 T40 I87 K91 L94 L111	L21-V89 HydrophobicContact CD2-CG1 3.84Å; I32-V89 HydrophobicContact CG2-CG1 4.37Å; I32-V89 HydrophobicContact CG2-CG2 4.12Å; V33-V89 PolarHBondContact O-N 2.78Å; G34-V89 CarbonylContact C-O 3.57Å; G34-V89 WeakPolarHBondContact CA-O 3.33Å; V35-V89 PolarHBondContact N-O 2.85Å; T40-V89 HydrophobicContact CG2-CG1 3.93Å; I87-V89 HydrophobicContact CG2-CG1 3.83Å; V89-K91 PolarHBondContact O-N 2.76Å; V89-K91 VanDerWaalsContact O-N 3.12Å; V89-L94 HydrophobicContact CB-CD2 4.32Å; V89-L94 HydrophobicContact CG1-CD2 4.27Å; V89-L94 HydrophobicContact CG2-CD2 4.03Å; V89-L111 HydrophobicContact CG2-CD2 3.45Å; V89-L111 VanDerWaalsContact CG2-CD2 3.45Å
90	P	93.6	Very high	90.3	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.019	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	115	171.9	-23.3	35	0	0	0	111.2	T40 A92 K93	T40-P90 WeakPolarHBondContact OG1-CD 3.42Å; P90-A92 VanDerWaalsContact C-N 3.3Å; P90-A92 PolarHBondContact O-N 2.69Å; P90-K93 HydrophobicContact CB-CB 4.22Å; P90-K93 HydrophobicContact CB-CD 4.17Å; P90-K93 HydrophobicContact CB-CG 4.3Å; P90-K93 PolarHBondContact O-N 3.08Å; P90-K93 VanDerWaalsContact O-N 3.16Å
91	K	88.4	Confident	92.4	Very high	70 Å²	70	44.7 Å²	44.7	30%	0.304	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-45	-169.1	176.7	170.9	-176.4	168.7	0	115	V35 V89 N110 V112	V35-K91 PolarHBondContact O-N 2.83Å; V89-K91 PolarHBondContact O-N 2.76Å; V89-K91 VanDerWaalsContact O-N 3.12Å; K91-N110 WeakPolarHBondContact CD-O 3.24Å; K91-N110 WeakPolarHBondContact CD-OD1 3.41Å; K91-N110 VanDerWaalsContact CE-OD1 3.27Å; K91-N110 WeakPolarHBondContact CE-OD1 3.38Å; K91-N110 WeakPolarHBondContact CG-O 3.43Å; K91-N110 PolarHBondContact NZ-OD1 3.45Å; K91-V112 HydrophobicContact CD-CG2 4.47Å; K91-V112 HydrophobicContact CG-CG2 4.12Å; K91-V112 PolarHBondContact O-N 2.61Å
92	A	81.8	Confident	93.8	Very high	89 Å²	89	43.2 Å²	43.2	74%	0.736	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	17.8	-170.7	0	0	0	0	0	114.5	P90	P90-A92 VanDerWaalsContact C-N 3.3Å; P90-A92 PolarHBondContact O-N 2.69Å
93	K	86.6	Confident	94.4	Very high	91 Å²	91	42.3 Å²	42.3	40%	0.396	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-20	-178.9	-63.5	-173.4	178.3	-178.4	0	114.2	P90	P90-K93 HydrophobicContact CB-CB 4.22Å; P90-K93 HydrophobicContact CB-CD 4.17Å; P90-K93 HydrophobicContact CB-CG 4.3Å; P90-K93 PolarHBondContact O-N 3.08Å; P90-K93 VanDerWaalsContact O-N 3.16Å
94	L	94.3	Very high	94.5	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	21%	0.209	C	C	.	.			trans	-74	132.1	175.6	-166.1	68.1	0	0	0	108.1	V18 L21 V89 L97 L113	V18-L94 HydrophobicContact CG1-CD1 4.17Å; L21-L94 HydrophobicContact CB-CD1 3.91Å; V89-L94 HydrophobicContact CB-CD2 4.32Å; V89-L94 HydrophobicContact CG1-CD2 4.27Å; V89-L94 HydrophobicContact CG2-CD2 4.03Å; L94-L97 HydrophobicContact CD2-CB 3.99Å; L94-L97 HydrophobicContact CD2-CD1 4.49Å; L94-L97 HydrophobicContact CD2-CD2 4.36Å; L94-L113 WeakPolarHBondContact O-CA 3.35Å; L94-L113 WeakPolarHBondContact O-CB 3.37Å
95	K	96.9	Very high	94.6	Very high	81 Å²	81	38.1 Å²	38.1	35%	0.352	20%	0.202	S	C	.	.			trans	-106	-44.1	176.3	-70.8	178.7	145.8	-79.9	0	109.9	R19 D114 N115	R19-K95 HydrophobicContact CB-CD 4.41Å; R19-K95 WeakPolarHBondContact O-CA 3.36Å; R19-K95 WeakPolarHBondContact O-CB 3.43Å; R19-K95 PolarHBondContact O-N 3.33Å; K95-D114 IonicContact NZ-OD2 2.83Å; K95-D114 PolarHBondContact NZ-OD2 2.86Å; K95-D114 WeakPolarHBondContact O-CA 3.45Å; K95-D114 WeakPolarHBondContact O-CB 3.41Å; K95-D114 PolarHBondContact O-N 3.07Å; K95-N115 PolarHBondContact O-N 2.95Å
96	D	98.3	Very high	94.7	Very high	53 Å²	53	38.1 Å²	38.1	28%	0.283	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.2	-172.6	-52.9	-72.7	0	0	0	109.6	R19 E20 L21 N115	R19-D96 PolarHBondContact O-N 3.09Å; R19-D96 VanDerWaalsContact O-N 3.08Å; E20-D96 WeakPolarHBondContact CA-O 3.48Å; E20-D96 HydrophobicContact CB-CB 4.26Å; E20-D96 HydrophobicContact CG-CB 4.04Å; L21-D96 PolarHBondContact N-O 2.89Å; D96-N115 PolarHBondContact OD1-ND2 2.91Å
97	L	98.6	Very high	94.7	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.2	174.1	178.6	54.5	0	0	0	109.3	L21 I32 L94 V99 T108 L111 L113 N115 L116 N117	L21-L97 HydrophobicContact CB-CD1 3.93Å; L21-L97 HydrophobicContact CD2-CD1 3.69Å; L21-L97 HydrophobicContact CG-CD1 3.78Å; I32-L97 HydrophobicContact CB-CD2 4.32Å; I32-L97 HydrophobicContact CG1-CD2 4.43Å; I32-L97 HydrophobicContact CG2-CD2 3.92Å; L94-L97 HydrophobicContact CD2-CB 3.99Å; L94-L97 HydrophobicContact CD2-CD1 4.49Å; L94-L97 HydrophobicContact CD2-CD2 4.36Å; L97-V99 HydrophobicContact CD1-CG2 3.53Å; L97-V99 HydrophobicContact CD2-CG2 4.5Å; L97-V99 HydrophobicContact CG-CG2 3.91Å; L97-T108 HydrophobicContact CD2-CG2 4.13Å; L97-L111 HydrophobicContact CD2-CD1 3.8Å; L97-L113 HydrophobicContact CB-CD1 3.65Å; L97-N115 PolarHBondContact N-O 2.85Å; L97-L116 HydrophobicContact CB-CD1 4.02Å; L97-L116 HydrophobicContact CD2-CD1 3.73Å; L97-L116 HydrophobicContact CG-CD1 3.92Å; L97-N117 PolarHBondContact O-N 3.43Å
98	Q	98.7	Very high	94.7	Very high	70 Å²	70	37.1 Å²	37.1	33%	0.327	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	125.8	171.9	-177.3	178.6	0.8	0	0	109.3	L21 V22 V23 E100 N117	L21-Q98 PolarHBondContact O-N 2.94Å; V22-Q98 CarbonylContact C-O 3.48Å; V22-Q98 WeakPolarHBondContact CA-O 3.48Å; V22-Q98 HydrophobicContact CG1-CB 4.47Å; V22-Q98 HydrophobicContact CG2-CB 4.49Å; V23-Q98 PolarHBondContact N-O 3.23Å; Q98-E100 PolarHBondContact NE2-OE1 3.43Å; Q98-N117 CarbonylContact C-O 3.58Å; Q98-N117 WeakPolarHBondContact CA-O 3.39Å
99	V	98.6	Very high	94.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	118.2	-179.6	-173.4	0	0	0	0	110.4	V23 V30 I32 L97 L106 N117 L118 E119	V23-V99 HydrophobicContact CB-CB 4.34Å; V23-V99 HydrophobicContact CB-CG1 3.97Å; V23-V99 HydrophobicContact CB-CG2 4.17Å; V23-V99 HydrophobicContact CG1-CG1 4.09Å; V23-V99 HydrophobicContact CG2-CG2 4.3Å; V23-V99 WeakPolarHBondContact O-CA 3.25Å; V30-V99 HydrophobicContact CB-CG1 4.14Å; V30-V99 HydrophobicContact CG1-CG1 4.09Å; V30-V99 HydrophobicContact CG2-CG1 4.29Å; I32-V99 HydrophobicContact CD1-CG1 4.35Å; I32-V99 HydrophobicContact CD1-CG2 3.85Å; I32-V99 HydrophobicContact CG1-CG2 4.45Å; L97-V99 HydrophobicContact CD1-CG2 3.53Å; L97-V99 HydrophobicContact CD2-CG2 4.5Å; L97-V99 HydrophobicContact CG-CG2 3.91Å; V99-L106 HydrophobicContact CG1-CD1 4.35Å; V99-L106 HydrophobicContact CG1-CD2 3.52Å; V99-N117 PolarHBondContact N-O 2.88Å; V99-L118 HydrophobicContact CB-CD2 3.69Å; V99-L118 HydrophobicContact CG2-CD2 3.84Å; V99-L118 WeakPolarHBondContact O-CA 3.41Å; V99-E119 PolarHBondContact O-N 3Å
100	E	97.9	Very high	94.8	Very high	66 Å²	66	42 Å²	42	31%	0.308	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.9	177.9	-63.4	176	-155.6	0	0	110	V23 D25 Q98 E119	V23-E100 PolarHBondContact O-N 3.06Å; D25-E100 PolarHBondContact N-O 2.99Å; Q98-E100 PolarHBondContact NE2-OE1 3.43Å; E100-E119 WeakPolarHBondContact CA-O 3.26Å; E100-E119 HydrophobicContact CG-CB 4.21Å
101	T	94.7	Very high	95	Very high	6 Å²	6	42 Å²	42	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	135.6	169.6	-172.8	0	0	0	0	110.7	D25 N27 M28 G104 L106 E119 T120	D25-T101 WeakPolarHBondContact O-CA 3.44Å; N27-T101 PolarHBondContact N-OG1 2.76Å; M28-T101 PolarHBondContact O-OG1 3.2Å; T101-G104 WeakPolarHBondContact CG2-O 3.25Å; T101-L106 HydrophobicContact CG2-CD1 4.21Å; T101-L106 HydrophobicContact CG2-CD2 3.49Å; T101-L106 VanDerWaalsContact CG2-CD2 3.49Å; T101-L106 HydrophobicContact CG2-CG 3.77Å; T101-E119 PolarHBondContact N-O 2.82Å; T101-T120 WeakPolarHBondContact O-CA 3.24Å; T101-T120 WeakPolarHBondContact O-CB 3.44Å; T101-T120 PolarHBondContact O-OG1 2.7Å
102	S	91.4	Very high	95.4	Very high	50 Å²	50	41.5 Å²	41.5	35%	0.35	22%	0.223	S	C	.	.	S	Bend	trans	-69.4	-42.2	-177	-34.5	0	0	0	0	114.6	R26 T120 S121 N122	R26-S102 CarbonylContact O-C 3.59Å; R26-S102 WeakPolarHBondContact O-CA 3.23Å; R26-S102 WeakPolarHBondContact O-CB 3.48Å; R26-S102 PolarHBondContact O-N 3.14Å; R26-S102 PolarHBondContact O-OG 2.8Å; S102-T120 PolarHBondContact O-OG1 3.28Å; S102-S121 VanDerWaalsContact O-CA 3.3Å; S102-S121 WeakPolarHBondContact O-CA 3.4Å; S102-S121 WeakPolarHBondContact O-CB 3.21Å; S102-S121 PolarHBondContact O-N 2.65Å; S102-S121 PolarHBondContact O-OG 2.98Å; S102-N122 PolarHBondContact O-N 2.68Å
103	N	90.1	Very high	96.1	Very high	66 Å²	66	37.7 Å²	37.7	35%	0.353	19%	0.19	S	C	.	.	S	Bend	trans	-129	4.9	-173.4	-63.6	-67	0	0	0	114.3	R26 N27 N122 S123	R26-N103 PolarHBondContact O-N 2.98Å; N27-N103 HydrophobicContact CB-CB 4.46Å; N27-N103 WeakPolarHBondContact OD1-CB 3.47Å; N27-N103 PolarHBondContact OD1-ND2 2.83Å; N103-N122 WeakPolarHBondContact OD1-CB 3.48Å; N103-N122 PolarHBondContact OD1-ND2 2.83Å; N103-S123 WeakPolarHBondContact O-CB 3.12Å; N103-S123 PolarHBondContact O-OG 2.91Å
104	G	91.8	Very high	96.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-84.5	141.7	-178.2	0	0	0	0	0	113.1	M28 T101 L106 T120 S123	M28-G104 WeakPolarHBondContact O-CA 3.32Å; T101-G104 WeakPolarHBondContact CG2-O 3.25Å; G104-L106 PolarHBondContact O-N 2.95Å; G104-T120 PolarHBondContact O-OG1 2.74Å; G104-T120 VanDerWaalsContact O-OG1 3.11Å; G104-S123 WeakPolarHBondContact O-CB 3.01Å
105	K	96.2	Very high	96.9	Very high	64 Å²	64	38.6 Å²	38.6	28%	0.278	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-58.5	131.7	164.2	178.8	-148.5	166.5	-147.6	0	108.6	P29 V30 D31 S107 K124 I126	P29-K105 CarbonylContact C-O 3.55Å; P29-K105 VanDerWaalsContact CA-O 3.23Å; P29-K105 WeakPolarHBondContact CA-O 3.05Å; P29-K105 HydrophobicContact CB-CB 4.3Å; V30-K105 PolarHBondContact N-O 2.88Å; D31-K105 IonicContact OD1-NZ 2.68Å; D31-K105 PolarHBondContact OD1-NZ 3.38Å; K105-S107 VanDerWaalsContact NZ-CB 3.29Å; K105-S107 PolarHBondContact NZ-OG 2.84Å; K105-S107 VanDerWaalsContact NZ-OG 3.09Å; K105-K124 WeakPolarHBondContact CA-O 3.36Å; K105-K124 HydrophobicContact CG-CB 4.46Å; K105-K124 VanDerWaalsContact CG-O 3.24Å; K105-K124 WeakPolarHBondContact CG-O 3.37Å; K105-I126 VanDerWaalsContact CE-CD1 3.43Å
106	L	98.3	Very high	97	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.1	169	-67.3	-175.2	0	0	0	110	V30 V99 T101 G104 L118 E119 T120 K124 M125 I126	V30-L106 HydrophobicContact CB-CD2 3.74Å; V30-L106 HydrophobicContact CG2-CD2 4.03Å; V99-L106 HydrophobicContact CG1-CD1 4.35Å; V99-L106 HydrophobicContact CG1-CD2 3.52Å; T101-L106 HydrophobicContact CG2-CD1 4.21Å; T101-L106 HydrophobicContact CG2-CD2 3.49Å; T101-L106 VanDerWaalsContact CG2-CD2 3.49Å; T101-L106 HydrophobicContact CG2-CG 3.77Å; G104-L106 PolarHBondContact O-N 2.95Å; L106-L118 HydrophobicContact CD1-CB 4.08Å; L106-E119 WeakPolarHBondContact CD1-O 3.29Å; L106-T120 HydrophobicContact CD1-CG2 4.27Å; L106-T120 HydrophobicContact CG-CG2 4.29Å; L106-K124 PolarHBondContact N-O 3.46Å; L106-K124 VanDerWaalsContact N-O 3.14Å; L106-M125 HydrophobicContact CB-CG 4.32Å; L106-M125 HydrophobicContact CD1-CE 4.22Å; L106-M125 CarbonylContact O-C 3.5Å; L106-M125 WeakPolarHBondContact O-CA 3.07Å; L106-I126 PolarHBondContact O-N 2.89Å
107	S	98.5	Very high	97	Very high	16 Å²	16	34.1 Å²	34.1	11%	0.112	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.5	178.5	-152.1	0	0	0	0	109.4	V30 D31 I32 K105 I126	V30-S107 PolarHBondContact O-N 2.84Å; D31-S107 CarbonylContact C-O 3.54Å; D31-S107 WeakPolarHBondContact CA-O 3.34Å; D31-S107 WeakPolarHBondContact OD1-CB 3.37Å; I32-S107 PolarHBondContact N-O 2.88Å; K105-S107 VanDerWaalsContact NZ-CB 3.29Å; K105-S107 PolarHBondContact NZ-OG 2.84Å; K105-S107 VanDerWaalsContact NZ-OG 3.09Å; S107-I126 CarbonylContact C-O 3.57Å; S107-I126 VanDerWaalsContact CA-O 3.24Å; S107-I126 WeakPolarHBondContact CA-O 3.37Å
108	T	98.6	Very high	97	Very high	1 Å²	1	34 Å²	34	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140	168.3	57.4	0	0	0	0	110.2	I32 L97 L111 L116 L118 I126 I127 N128	I32-T108 HydrophobicContact CB-CG2 4.33Å; I32-T108 HydrophobicContact CD1-CG2 4.24Å; I32-T108 CarbonylContact O-C 3.52Å; I32-T108 VanDerWaalsContact O-CA 3.31Å; I32-T108 WeakPolarHBondContact O-CA 3.48Å; L97-T108 HydrophobicContact CD2-CG2 4.13Å; T108-L111 HydrophobicContact CG2-CD1 4.17Å; T108-L116 HydrophobicContact CG2-CD1 4.23Å; T108-L118 HydrophobicContact CG2-CD1 3.75Å; T108-L118 HydrophobicContact CG2-CD2 3.94Å; T108-L118 HydrophobicContact CG2-CG 4.46Å; T108-I126 PolarHBondContact N-O 3.43Å; T108-I127 WeakPolarHBondContact OG1-CG2 3.42Å; T108-N128 PolarHBondContact O-N 3.37Å
109	E	98.5	Very high	97	Very high	97 Å²	97	33.7 Å²	33.7	45%	0.453	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	138.1	-178.1	-171.2	174.8	-177.5	0	0	112.5	I32 V33 G34 N128	I32-E109 PolarHBondContact O-N 3.5Å; V33-E109 CarbonylContact C-O 3.58Å; V33-E109 WeakPolarHBondContact CA-O 3.27Å; V33-E109 HydrophobicContact CG2-CB 4.31Å; G34-E109 PolarHBondContact N-O 2.86Å; E109-N128 VanDerWaalsContact CA-O 3.23Å; E109-N128 WeakPolarHBondContact CA-O 3.31Å
110	N	98.1	Very high	96.9	Very high	46 Å²	46	34 Å²	34	25%	0.246	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.3	47.7	167.8	-174.9	37.5	0	0	0	113.5	G34 K91 N128 D129	G34-N110 VanDerWaalsContact CA-O 3.26Å; G34-N110 WeakPolarHBondContact CA-O 3.27Å; G34-N110 PolarHBondContact O-ND2 3.34Å; K91-N110 WeakPolarHBondContact CD-O 3.24Å; K91-N110 WeakPolarHBondContact CD-OD1 3.41Å; K91-N110 VanDerWaalsContact CE-OD1 3.27Å; K91-N110 WeakPolarHBondContact CE-OD1 3.38Å; K91-N110 WeakPolarHBondContact CG-O 3.43Å; K91-N110 PolarHBondContact NZ-OD1 3.45Å; N110-N128 PolarHBondContact N-O 3.2Å; N110-D129 CarbonylContact C-O 3.59Å; N110-D129 WeakPolarHBondContact CA-O 3.47Å; N110-D129 PolarHBondContact N-O 2.82Å; N110-D129 PolarHBondContact OD1-OD2 3.4Å
111	L	97.9	Very high	96.8	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148.1	-175	-61.2	175.1	0	0	0	112.7	I32 V89 L97 T108 L113 D129 V130 D131	I32-L111 HydrophobicContact CG2-CD1 4.45Å; I32-L111 HydrophobicContact CG2-CD2 4.49Å; V89-L111 HydrophobicContact CG2-CD2 3.45Å; V89-L111 VanDerWaalsContact CG2-CD2 3.45Å; L97-L111 HydrophobicContact CD2-CD1 3.8Å; T108-L111 HydrophobicContact CG2-CD1 4.17Å; L111-L113 HydrophobicContact CB-CD2 3.9Å; L111-D129 PolarHBondContact N-O 3.47Å; L111-V130 HydrophobicContact CB-CG1 4.3Å; L111-V130 HydrophobicContact CB-CG2 4.21Å; L111-V130 WeakPolarHBondContact O-CA 3.28Å; L111-D131 PolarHBondContact O-N 3.01Å
112	V	97.5	Very high	96.6	Very high	59 Å²	59	36.5 Å²	36.5	36%	0.358	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	117.5	164.8	-177.5	0	0	0	0	107.1	K91 D131	K91-V112 HydrophobicContact CD-CG2 4.47Å; K91-V112 HydrophobicContact CG-CG2 4.12Å; K91-V112 PolarHBondContact O-N 2.61Å; V112-D131 CarbonylContact C-O 3.59Å; V112-D131 VanDerWaalsContact CA-O 3.27Å; V112-D131 WeakPolarHBondContact CA-O 3.27Å; V112-D131 HydrophobicContact CG1-CB 4.4Å; V112-D131 HydrophobicContact CG2-CB 4.18Å
113	L	97.5	Very high	96.7	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.047	19%	0.192	C	C	.	.			trans	-151.3	172.8	-173.6	68.9	177	0	0	0	111.8	L94 L97 L111 N115 L116 V130 D131 S132	L94-L113 WeakPolarHBondContact O-CA 3.35Å; L94-L113 WeakPolarHBondContact O-CB 3.37Å; L97-L113 HydrophobicContact CB-CD1 3.65Å; L111-L113 HydrophobicContact CB-CD2 3.9Å; L113-N115 VanDerWaalsContact CD1-O 3.26Å; L113-N115 WeakPolarHBondContact CD1-O 3.43Å; L113-L116 HydrophobicContact CD1-CB 4.04Å; L113-L116 HydrophobicContact CD1-CD1 4.3Å; L113-L116 HydrophobicContact CG-CB 4.5Å; L113-V130 HydrophobicContact CD2-CG1 3.6Å; L113-D131 PolarHBondContact N-O 2.78Å; L113-S132 VanDerWaalsContact O-CA 3.27Å; L113-S132 WeakPolarHBondContact O-CA 3.24Å
114	D	98.3	Very high	97	Very high	48 Å²	48	35.9 Å²	35.9	26%	0.257	19%	0.19	S	C	.	.	S	Bend	trans	-87.5	-46.4	175.4	-64	-31.6	0	0	0	110	K95 S132 N133 S134	K95-D114 IonicContact NZ-OD2 2.83Å; K95-D114 PolarHBondContact NZ-OD2 2.86Å; K95-D114 WeakPolarHBondContact O-CA 3.45Å; K95-D114 WeakPolarHBondContact O-CB 3.41Å; K95-D114 PolarHBondContact O-N 3.07Å; D114-S132 PolarHBondContact O-OG 3.31Å; D114-N133 WeakPolarHBondContact O-CA 3.24Å; D114-N133 VanDerWaalsContact O-CB 3.29Å; D114-N133 WeakPolarHBondContact O-CB 3.35Å; D114-N133 PolarHBondContact O-N 2.84Å; D114-N133 PolarHBondContact OD1-ND2 2.97Å; D114-S134 PolarHBondContact O-N 2.99Å
115	N	98.6	Very high	97.3	Very high	70 Å²	70	35.9 Å²	35.9	37%	0.374	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.9	-174.8	-52.6	-63.5	0	0	0	112	K95 D96 L97 L113 S134	K95-N115 PolarHBondContact O-N 2.95Å; D96-N115 PolarHBondContact OD1-ND2 2.91Å; L97-N115 PolarHBondContact N-O 2.85Å; L113-N115 VanDerWaalsContact CD1-O 3.26Å; L113-N115 WeakPolarHBondContact CD1-O 3.43Å; N115-S134 WeakPolarHBondContact CA-OG 3.44Å; N115-S134 WeakPolarHBondContact CB-OG 3.39Å; N115-S134 PolarHBondContact OD1-OG 2.87Å
116	L	98.8	Very high	97.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	112.9	174	177.6	58.2	0	0	0	109.8	L97 T108 L113 L118 I127 V130 S134 V135 D136	L97-L116 HydrophobicContact CB-CD1 4.02Å; L97-L116 HydrophobicContact CD2-CD1 3.73Å; L97-L116 HydrophobicContact CG-CD1 3.92Å; T108-L116 HydrophobicContact CG2-CD1 4.23Å; L113-L116 HydrophobicContact CD1-CB 4.04Å; L113-L116 HydrophobicContact CD1-CD1 4.3Å; L113-L116 HydrophobicContact CG-CB 4.5Å; L116-L118 HydrophobicContact CD1-CD1 4.09Å; L116-L118 HydrophobicContact CD1-CD2 3.8Å; L116-L118 HydrophobicContact CD1-CG 3.74Å; L116-L118 HydrophobicContact CD2-CD1 4.23Å; L116-L118 HydrophobicContact CG-CD1 4.25Å; L116-L118 HydrophobicContact CG-CG 4.07Å; L116-I127 HydrophobicContact CD2-CD1 4.36Å; L116-I127 HydrophobicContact CD2-CG2 4.02Å; L116-V130 HydrophobicContact CD2-CG1 4.19Å; L116-S134 PolarHBondContact N-O 2.86Å; L116-V135 HydrophobicContact CB-CG1 4.35Å; L116-V135 HydrophobicContact CB-CG2 4.35Å; L116-V135 HydrophobicContact CD2-CG1 4.06Å; L116-V135 HydrophobicContact CG-CG1 4.28Å; L116-V135 CarbonylContact O-C 3.56Å; L116-V135 WeakPolarHBondContact O-CA 3.38Å; L116-D136 PolarHBondContact O-N 2.88Å
117	N	98.8	Very high	97.5	Very high	39 Å²	39	34.2 Å²	34.2	21%	0.209	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	124.1	170.2	175	-53	0	0	0	109.7	L97 Q98 V99 D136	L97-N117 PolarHBondContact O-N 3.43Å; Q98-N117 CarbonylContact C-O 3.58Å; Q98-N117 WeakPolarHBondContact CA-O 3.39Å; V99-N117 PolarHBondContact N-O 2.88Å; N117-D136 CarbonylContact C-O 3.58Å; N117-D136 VanDerWaalsContact CA-O 3.27Å; N117-D136 WeakPolarHBondContact CA-O 3.41Å
118	L	98.7	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	126.8	178.9	-59.6	178.1	0	0	0	110.4	V99 L106 T108 L116 M125 I127 D136 A137 E138	V99-L118 HydrophobicContact CB-CD2 3.69Å; V99-L118 HydrophobicContact CG2-CD2 3.84Å; V99-L118 WeakPolarHBondContact O-CA 3.41Å; L106-L118 HydrophobicContact CD1-CB 4.08Å; T108-L118 HydrophobicContact CG2-CD1 3.75Å; T108-L118 HydrophobicContact CG2-CD2 3.94Å; T108-L118 HydrophobicContact CG2-CG 4.46Å; L116-L118 HydrophobicContact CD1-CD1 4.09Å; L116-L118 HydrophobicContact CD1-CD2 3.8Å; L116-L118 HydrophobicContact CD1-CG 3.74Å; L116-L118 HydrophobicContact CD2-CD1 4.23Å; L116-L118 HydrophobicContact CG-CD1 4.25Å; L116-L118 HydrophobicContact CG-CG 4.07Å; L118-M125 HydrophobicContact CB-CE 3.72Å; L118-M125 HydrophobicContact CB-SD 3.91Å; L118-M125 HydrophobicContact CD1-CG 4.4Å; L118-M125 HydrophobicContact CD1-SD 4.13Å; L118-M125 WeakPolarHBondContact O-CE 3.31Å; L118-I127 HydrophobicContact CD1-CD1 3.74Å; L118-I127 HydrophobicContact CD1-CG1 3.82Å; L118-D136 PolarHBondContact N-O 2.98Å; L118-A137 CarbonylContact O-C 3.58Å; L118-A137 WeakPolarHBondContact O-CA 3.28Å; L118-E138 PolarHBondContact O-N 3.05Å
119	E	98.4	Very high	97.5	Very high	65 Å²	65	38.8 Å²	38.8	30%	0.304	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	129	178	-64.8	179	-162.4	0	0	111.9	V99 E100 T101 L106 E138	V99-E119 PolarHBondContact O-N 3Å; E100-E119 WeakPolarHBondContact CA-O 3.26Å; E100-E119 HydrophobicContact CG-CB 4.21Å; T101-E119 PolarHBondContact N-O 2.82Å; L106-E119 WeakPolarHBondContact CD1-O 3.29Å; E119-E138 WeakPolarHBondContact CA-O 2.98Å; E119-E138 HydrophobicContact CG-CB 4.44Å
120	T	96.9	Very high	97.5	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	143.4	166.1	-172	0	0	0	0	114.7	T101 S102 G104 L106 S123 M125 E138 T139 S140	T101-T120 WeakPolarHBondContact O-CA 3.24Å; T101-T120 WeakPolarHBondContact O-CB 3.44Å; T101-T120 PolarHBondContact O-OG1 2.7Å; S102-T120 PolarHBondContact O-OG1 3.28Å; G104-T120 PolarHBondContact O-OG1 2.74Å; G104-T120 VanDerWaalsContact O-OG1 3.11Å; L106-T120 HydrophobicContact CD1-CG2 4.27Å; L106-T120 HydrophobicContact CG-CG2 4.29Å; T120-S123 WeakPolarHBondContact CG2-O 3.08Å; T120-M125 HydrophobicContact CG2-CE 4.38Å; T120-E138 PolarHBondContact N-O 2.96Å; T120-T139 WeakPolarHBondContact O-CA 3.4Å; T120-T139 WeakPolarHBondContact O-CB 3.43Å; T120-T139 PolarHBondContact O-OG1 2.87Å; T120-S140 PolarHBondContact O-N 3Å
121	S	94.7	Very high	97.5	Very high	47 Å²	47	35.5 Å²	35.5	33%	0.329	19%	0.193	S	C	.	.	S	Bend	trans	-74.6	-42.9	-175.5	-41.2	0	0	0	0	113.9	S102 T139 S140 N141	S102-S121 VanDerWaalsContact O-CA 3.3Å; S102-S121 WeakPolarHBondContact O-CA 3.4Å; S102-S121 WeakPolarHBondContact O-CB 3.21Å; S102-S121 PolarHBondContact O-N 2.65Å; S102-S121 PolarHBondContact O-OG 2.98Å; S121-T139 PolarHBondContact O-OG1 2.97Å; S121-S140 CarbonylContact O-C 3.55Å; S121-S140 VanDerWaalsContact O-CA 3.27Å; S121-S140 WeakPolarHBondContact O-CA 3.27Å; S121-S140 WeakPolarHBondContact O-CB 3.5Å; S121-S140 PolarHBondContact O-N 3.14Å; S121-S140 PolarHBondContact O-OG 3.25Å; S121-N141 PolarHBondContact O-N 2.63Å
122	N	91.1	Very high	97.5	Very high	76 Å²	76	35.4 Å²	35.4	41%	0.406	19%	0.193	S	C	.	.	S	Bend	trans	-125.4	-13	-163.4	-70.3	-45	0	0	0	116.7	S102 N103 N141	S102-N122 PolarHBondContact O-N 2.68Å; N103-N122 WeakPolarHBondContact OD1-CB 3.48Å; N103-N122 PolarHBondContact OD1-ND2 2.83Å; N122-N141 PolarHBondContact OD1-ND2 2.92Å
123	S	93	Very high	97.6	Very high	33 Å²	33	36 Å²	36	23%	0.231	19%	0.194	C	C	.	.	S	Bend	trans	-109.6	158.3	-166.5	-90.9	0	0	0	0	112.9	N103 G104 T120 M125 T139 G142	N103-S123 WeakPolarHBondContact O-CB 3.12Å; N103-S123 PolarHBondContact O-OG 2.91Å; G104-S123 WeakPolarHBondContact O-CB 3.01Å; T120-S123 WeakPolarHBondContact CG2-O 3.08Å; S123-M125 PolarHBondContact O-N 3.14Å; S123-T139 PolarHBondContact O-OG1 2.63Å; S123-G142 WeakPolarHBondContact O-CA 3.29Å
124	K	96.6	Very high	97.6	Very high	71 Å²	71	37.4 Å²	37.4	31%	0.309	20%	0.204	S	C	.	.			trans	-54.9	136.1	178.2	-176.1	-177.4	-174.4	-169.3	0	111.2	K105 L106 I126 K143 E145	K105-K124 WeakPolarHBondContact CA-O 3.36Å; K105-K124 HydrophobicContact CG-CB 4.46Å; K105-K124 VanDerWaalsContact CG-O 3.24Å; K105-K124 WeakPolarHBondContact CG-O 3.37Å; L106-K124 PolarHBondContact N-O 3.46Å; L106-K124 VanDerWaalsContact N-O 3.14Å; K124-I126 HydrophobicContact CD-CD1 3.93Å; K124-I126 HydrophobicContact CD-CG1 3.98Å; K124-I126 HydrophobicContact CG-CD1 4.49Å; K124-I126 HydrophobicContact CG-CG1 4.02Å; K124-K143 CarbonylContact C-O 3.44Å; K124-K143 VanDerWaalsContact CA-O 3.31Å; K124-K143 WeakPolarHBondContact CA-O 3.29Å; K124-K143 HydrophobicContact CG-CB 4.29Å; K124-K143 WeakPolarHBondContact CG-O 3.33Å; K124-E145 WeakPolarHBondContact CE-OE1 3.27Å; K124-E145 WeakPolarHBondContact CE-OE2 2.99Å; K124-E145 IonicContact NZ-OE1 2.68Å; K124-E145 PolarHBondContact NZ-OE1 2.99Å; K124-E145 IonicContact NZ-OE2 2.63Å; K124-E145 PolarHBondContact NZ-OE2 2.82Å
125	M	98.4	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133	169.5	-170.2	178	-67.3	0	0	109.6	L106 L118 T120 S123 I127 A137 E138 K143 E145	L106-M125 HydrophobicContact CB-CG 4.32Å; L106-M125 HydrophobicContact CD1-CE 4.22Å; L106-M125 CarbonylContact O-C 3.5Å; L106-M125 WeakPolarHBondContact O-CA 3.07Å; L118-M125 HydrophobicContact CB-CE 3.72Å; L118-M125 HydrophobicContact CB-SD 3.91Å; L118-M125 HydrophobicContact CD1-CG 4.4Å; L118-M125 HydrophobicContact CD1-SD 4.13Å; L118-M125 WeakPolarHBondContact O-CE 3.31Å; T120-M125 HydrophobicContact CG2-CE 4.38Å; S123-M125 PolarHBondContact O-N 3.14Å; M125-I127 HydrophobicContact CG-CD1 4.5Å; M125-I127 HydrophobicContact CG-CG1 4.25Å; M125-I127 HydrophobicContact SD-CD1 4.12Å; M125-I127 HydrophobicContact SD-CG1 4.49Å; M125-A137 HydrophobicContact CE-CB 4.49Å; M125-A137 HydrophobicContact SD-CB 3.56Å; M125-A137 VanDerWaalsContact SD-CB 3.56Å; M125-E138 VanDerWaalsContact CE-O 3.24Å; M125-E138 WeakPolarHBondContact CE-O 3.2Å; M125-K143 PolarHBondContact N-O 3.11Å; M125-E145 PolarHBondContact O-N 2.86Å
126	I	98.8	Very high	97.7	Very high	30 Å²	30	34.7 Å²	34.7	15%	0.154	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.1	177	-51.6	-176.8	0	0	0	108.5	K105 L106 S107 T108 K124 E145	K105-I126 VanDerWaalsContact CE-CD1 3.43Å; L106-I126 PolarHBondContact O-N 2.89Å; S107-I126 CarbonylContact C-O 3.57Å; S107-I126 VanDerWaalsContact CA-O 3.24Å; S107-I126 WeakPolarHBondContact CA-O 3.37Å; T108-I126 PolarHBondContact N-O 3.43Å; K124-I126 HydrophobicContact CD-CD1 3.93Å; K124-I126 HydrophobicContact CD-CG1 3.98Å; K124-I126 HydrophobicContact CG-CD1 4.49Å; K124-I126 HydrophobicContact CG-CG1 4.02Å; I126-E145 WeakPolarHBondContact CA-O 3.47Å; I126-E145 HydrophobicContact CG1-CB 4.48Å
127	I	98.9	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	116.3	175.5	-52.1	178.8	0	0	0	106.3	T108 L116 L118 M125 V130 V135 A137 E145 L146 S147 L149 F156	T108-I127 WeakPolarHBondContact OG1-CG2 3.42Å; L116-I127 HydrophobicContact CD2-CD1 4.36Å; L116-I127 HydrophobicContact CD2-CG2 4.02Å; L118-I127 HydrophobicContact CD1-CD1 3.74Å; L118-I127 HydrophobicContact CD1-CG1 3.82Å; M125-I127 HydrophobicContact CG-CD1 4.5Å; M125-I127 HydrophobicContact CG-CG1 4.25Å; M125-I127 HydrophobicContact SD-CD1 4.12Å; M125-I127 HydrophobicContact SD-CG1 4.49Å; I127-V130 HydrophobicContact CG2-CB 4.19Å; I127-V130 HydrophobicContact CG2-CG2 3.68Å; I127-V135 HydrophobicContact CD1-CG1 4.31Å; I127-A137 HydrophobicContact CD1-CB 3.86Å; I127-E145 PolarHBondContact N-O 3.43Å; I127-L146 HydrophobicContact CB-CD2 3.81Å; I127-L146 HydrophobicContact CD1-CD2 3.76Å; I127-L146 HydrophobicContact CG1-CD2 3.92Å; I127-L146 WeakPolarHBondContact O-CA 3.34Å; I127-S147 PolarHBondContact O-N 2.64Å; I127-L149 HydrophobicContact CB-CD1 4.25Å; I127-L149 HydrophobicContact CB-CD2 4.31Å; I127-L149 HydrophobicContact CG2-CD1 3.87Å; I127-L149 HydrophobicContact CG2-CD2 3.57Å; I127-L149 HydrophobicContact CG2-CG 4.42Å; I127-F156 HydrophobicContact CD1-CE1 4.02Å
128	N	98.8	Very high	97.7	Very high	44 Å²	44	36.2 Å²	36.2	24%	0.235	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	134.8	-174.1	179.2	63	0	0	0	111.9	T108 E109 N110 S147	T108-N128 PolarHBondContact O-N 3.37Å; E109-N128 VanDerWaalsContact CA-O 3.23Å; E109-N128 WeakPolarHBondContact CA-O 3.31Å; N110-N128 PolarHBondContact N-O 3.2Å; N128-S147 CarbonylContact C-O 3.53Å; N128-S147 VanDerWaalsContact CA-O 3.27Å; N128-S147 WeakPolarHBondContact CA-O 3.12Å; N128-S147 PolarHBondContact OD1-OG 3.46Å
129	D	98.6	Very high	97.6	Very high	68 Å²	68	36.4 Å²	36.4	36%	0.364	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	52.1	61.9	177.1	-174.3	35.5	0	0	0	112	N110 L111 S147 Q148	N110-D129 CarbonylContact C-O 3.59Å; N110-D129 WeakPolarHBondContact CA-O 3.47Å; N110-D129 PolarHBondContact N-O 2.82Å; N110-D129 PolarHBondContact OD1-OD2 3.4Å; L111-D129 PolarHBondContact N-O 3.47Å; D129-S147 PolarHBondContact N-O 2.99Å; D129-Q148 VanDerWaalsContact CA-O 3.28Å; D129-Q148 WeakPolarHBondContact CA-O 3.02Å; D129-Q148 PolarHBondContact N-O 3.42Å
130	V	98.6	Very high	97.5	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.9	179.1	179.4	0	0	0	0	110.3	L111 L113 L116 I127 Q148 L149 K150	L111-V130 HydrophobicContact CB-CG1 4.3Å; L111-V130 HydrophobicContact CB-CG2 4.21Å; L111-V130 WeakPolarHBondContact O-CA 3.28Å; L113-V130 HydrophobicContact CD2-CG1 3.6Å; L116-V130 HydrophobicContact CD2-CG1 4.19Å; I127-V130 HydrophobicContact CG2-CB 4.19Å; I127-V130 HydrophobicContact CG2-CG2 3.68Å; V130-Q148 PolarHBondContact N-O 3.23Å; V130-L149 HydrophobicContact CB-CD2 3.83Å; V130-L149 HydrophobicContact CG2-CD2 4.22Å; V130-L149 CarbonylContact O-C 3.6Å; V130-L149 WeakPolarHBondContact O-CA 3.49Å; V130-K150 PolarHBondContact O-N 3.39Å
131	D	98.5	Very high	97.5	Very high	70 Å²	70	38.8 Å²	38.8	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	108.7	170.2	-157.8	-25.5	0	0	0	107.6	L111 V112 L113 K150	L111-D131 PolarHBondContact O-N 3.01Å; V112-D131 CarbonylContact C-O 3.59Å; V112-D131 VanDerWaalsContact CA-O 3.27Å; V112-D131 WeakPolarHBondContact CA-O 3.27Å; V112-D131 HydrophobicContact CG1-CB 4.4Å; V112-D131 HydrophobicContact CG2-CB 4.18Å; L113-D131 PolarHBondContact N-O 2.78Å; D131-K150 WeakPolarHBondContact CA-O 3.21Å
132	S	98.3	Very high	97.5	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.021	20%	0.201	C	C	.	.			trans	-128.5	164.7	-176.3	-159	0	0	0	0	111.1	L113 D114 S134 K150 F151	L113-S132 VanDerWaalsContact O-CA 3.27Å; L113-S132 WeakPolarHBondContact O-CA 3.24Å; D114-S132 PolarHBondContact O-OG 3.31Å; S132-S134 PolarHBondContact OG-O 2.74Å; S132-K150 PolarHBondContact N-O 2.72Å; S132-F151 WeakPolarHBondContact O-CA 3.36Å
133	N	98.7	Very high	97.9	Very high	72 Å²	72	36.1 Å²	36.1	39%	0.385	20%	0.195	S	C	.	.	S	Bend	trans	-85.4	-52.3	162.2	-52.5	-34.3	0	0	0	108.8	D114 D152 D153	D114-N133 WeakPolarHBondContact O-CA 3.24Å; D114-N133 VanDerWaalsContact O-CB 3.29Å; D114-N133 WeakPolarHBondContact O-CB 3.35Å; D114-N133 PolarHBondContact O-N 2.84Å; D114-N133 PolarHBondContact OD1-ND2 2.97Å; N133-D152 WeakPolarHBondContact O-CA 3.38Å; N133-D152 WeakPolarHBondContact O-CB 3.06Å; N133-D152 PolarHBondContact O-N 2.87Å; N133-D153 PolarHBondContact O-N 3.18Å
134	S	98.8	Very high	98.1	Very high	37 Å²	37	34.5 Å²	34.5	26%	0.259	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.5	177.1	72.9	0	0	0	0	112.4	D114 N115 L116 S132 D153	D114-S134 PolarHBondContact O-N 2.99Å; N115-S134 WeakPolarHBondContact CA-OG 3.44Å; N115-S134 WeakPolarHBondContact CB-OG 3.39Å; N115-S134 PolarHBondContact OD1-OG 2.87Å; L116-S134 PolarHBondContact N-O 2.86Å; S132-S134 PolarHBondContact OG-O 2.74Å; S134-D153 CarbonylContact C-O 3.59Å; S134-D153 VanDerWaalsContact CA-O 3.29Å; S134-D153 WeakPolarHBondContact CA-O 3.39Å
135	V	98.9	Very high	98.2	Very high	7 Å²	7	33.4 Å²	33.4	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.8	170.3	-173.4	0	0	0	0	109.9	L116 I127 A137 F151 D153 G154 S155 F156	L116-V135 HydrophobicContact CB-CG1 4.35Å; L116-V135 HydrophobicContact CB-CG2 4.35Å; L116-V135 HydrophobicContact CD2-CG1 4.06Å; L116-V135 HydrophobicContact CG-CG1 4.28Å; L116-V135 CarbonylContact O-C 3.56Å; L116-V135 WeakPolarHBondContact O-CA 3.38Å; I127-V135 HydrophobicContact CD1-CG1 4.31Å; V135-A137 HydrophobicContact CG1-CB 4.33Å; V135-F151 HydrophobicContact CG2-CB 3.93Å; V135-F151 HydrophobicContact CG2-CD1 4.47Å; V135-F151 HydrophobicContact CG2-CG 4.26Å; V135-D153 PolarHBondContact N-O 2.9Å; V135-G154 CarbonylContact O-C 3.59Å; V135-G154 VanDerWaalsContact O-CA 3.28Å; V135-G154 WeakPolarHBondContact O-CA 3.33Å; V135-S155 PolarHBondContact O-N 2.86Å; V135-F156 HydrophobicContact CB-CE1 4.29Å; V135-F156 HydrophobicContact CB-CZ 3.86Å; V135-F156 HydrophobicContact CG1-CE1 3.49Å; V135-F156 VanDerWaalsContact CG1-CE1 3.49Å; V135-F156 HydrophobicContact CG1-CZ 3.58Å
136	D	98.9	Very high	98.3	Very high	54 Å²	54	33.4 Å²	33.4	29%	0.289	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.5	172.8	-172.6	4.1	0	0	0	108.4	L116 N117 L118	L116-D136 PolarHBondContact O-N 2.88Å; N117-D136 CarbonylContact C-O 3.58Å; N117-D136 VanDerWaalsContact CA-O 3.27Å; N117-D136 WeakPolarHBondContact CA-O 3.41Å; L118-D136 PolarHBondContact N-O 2.98Å
137	A	98.8	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	100.3	-163.6	0	0	0	0	0	111.4	L118 M125 I127 V135 S155 F156 E157	L118-A137 CarbonylContact O-C 3.58Å; L118-A137 WeakPolarHBondContact O-CA 3.28Å; M125-A137 HydrophobicContact CE-CB 4.49Å; M125-A137 HydrophobicContact SD-CB 3.56Å; M125-A137 VanDerWaalsContact SD-CB 3.56Å; I127-A137 HydrophobicContact CD1-CB 3.86Å; V135-A137 HydrophobicContact CG1-CB 4.33Å; A137-S155 PolarHBondContact N-O 2.93Å; A137-F156 HydrophobicContact CB-CD1 3.51Å; A137-F156 HydrophobicContact CB-CE1 3.91Å; A137-F156 HydrophobicContact CB-CG 4.42Å; A137-F156 WeakPolarHBondContact O-CA 3.46Å; A137-E157 PolarHBondContact O-N 2.9Å
138	E	98.5	Very high	98.3	Very high	72 Å²	72	38.2 Å²	38.2	34%	0.336	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.9	-172.2	-58.6	-170.3	-176.9	0	0	113.3	L118 E119 T120 M125 E157	L118-E138 PolarHBondContact O-N 3.05Å; E119-E138 WeakPolarHBondContact CA-O 2.98Å; E119-E138 HydrophobicContact CG-CB 4.44Å; T120-E138 PolarHBondContact N-O 2.96Å; M125-E138 VanDerWaalsContact CE-O 3.24Å; M125-E138 WeakPolarHBondContact CE-O 3.2Å; E138-E157 HydrophobicContact CG-CB 4.25Å
139	T	97.8	Very high	98.3	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.031	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	135.7	161.3	-177.6	0	0	0	0	116	T120 S121 S123 N141 G142 V144 E157 T158	T120-T139 WeakPolarHBondContact O-CA 3.4Å; T120-T139 WeakPolarHBondContact O-CB 3.43Å; T120-T139 PolarHBondContact O-OG1 2.87Å; S121-T139 PolarHBondContact O-OG1 2.97Å; S123-T139 PolarHBondContact O-OG1 2.63Å; T139-N141 PolarHBondContact O-N 3.24Å; T139-G142 VanDerWaalsContact CG2-O 3.24Å; T139-G142 WeakPolarHBondContact CG2-O 3.34Å; T139-G142 PolarHBondContact OG1-N 2.93Å; T139-V144 HydrophobicContact CG2-CG2 3.8Å; T139-E157 PolarHBondContact N-O 3.38Å; T139-T158 WeakPolarHBondContact O-CA 3.11Å; T139-T158 WeakPolarHBondContact O-CB 3.27Å; T139-T158 PolarHBondContact O-OG1 2.94Å
140	S	97.2	Very high	98.3	Very high	51 Å²	51	38.5 Å²	38.5	36%	0.357	20%	0.201	S	C	.	.	S	Bend	trans	-66.5	-40	-177.6	-38.4	0	0	0	0	114	T120 S121 T158 S159 N160	T120-S140 PolarHBondContact O-N 3Å; S121-S140 CarbonylContact O-C 3.55Å; S121-S140 VanDerWaalsContact O-CA 3.27Å; S121-S140 WeakPolarHBondContact O-CA 3.27Å; S121-S140 WeakPolarHBondContact O-CB 3.5Å; S121-S140 PolarHBondContact O-N 3.14Å; S121-S140 PolarHBondContact O-OG 3.25Å; S140-T158 PolarHBondContact O-OG1 2.89Å; S140-S159 WeakPolarHBondContact O-CA 3.2Å; S140-S159 WeakPolarHBondContact O-CB 3.48Å; S140-S159 PolarHBondContact O-N 2.86Å; S140-S159 PolarHBondContact O-OG 2.75Å; S140-N160 PolarHBondContact O-N 3.19Å; S140-N160 VanDerWaalsContact O-N 3.13Å
141	N	95.8	Very high	98.3	Very high	71 Å²	71	38.5 Å²	38.5	38%	0.38	20%	0.2	S	C	.	.	S	Bend	trans	-128.6	-9.5	-173.5	-62	-62.4	0	0	0	115	S121 N122 T139 N160	S121-N141 PolarHBondContact O-N 2.63Å; N122-N141 PolarHBondContact OD1-ND2 2.92Å; T139-N141 PolarHBondContact O-N 3.24Å; N141-N160 PolarHBondContact OD1-ND2 2.77Å
142	G	95.2	Very high	98.3	Very high	3 Å²	3	38 Å²	38	3%	0.031	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-75.4	144.3	-174.2	0	0	0	0	0	113.5	S123 T139 V144 T158 G161	S123-G142 WeakPolarHBondContact O-CA 3.29Å; T139-G142 VanDerWaalsContact CG2-O 3.24Å; T139-G142 WeakPolarHBondContact CG2-O 3.34Å; T139-G142 PolarHBondContact OG1-N 2.93Å; G142-V144 PolarHBondContact O-N 2.78Å; G142-T158 PolarHBondContact O-OG1 2.81Å; G142-G161 WeakPolarHBondContact O-CA 3.46Å
143	K	98.2	Very high	98.3	Very high	63 Å²	63	41.8 Å²	41.8	27%	0.274	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-61	135.2	163.7	-176.2	-175.8	-177.1	-172.7	0	109.5	K124 M125 E145 K162 N164	K124-K143 CarbonylContact C-O 3.44Å; K124-K143 VanDerWaalsContact CA-O 3.31Å; K124-K143 WeakPolarHBondContact CA-O 3.29Å; K124-K143 HydrophobicContact CG-CB 4.29Å; K124-K143 WeakPolarHBondContact CG-O 3.33Å; M125-K143 PolarHBondContact N-O 3.11Å; K143-E145 HydrophobicContact CD-CG 3.93Å; K143-E145 VanDerWaalsContact CD-OE1 3.29Å; K143-E145 WeakPolarHBondContact CD-OE1 3.38Å; K143-E145 VanDerWaalsContact CE-CG 3.5Å; K143-E145 WeakPolarHBondContact CE-OE1 3.36Å; K143-E145 HydrophobicContact CG-CG 4.18Å; K143-E145 IonicContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact NZ-OE1 2.67Å; K143-K162 WeakPolarHBondContact CA-O 2.9Å; K143-K162 HydrophobicContact CG-CB 4.28Å; K143-K162 WeakPolarHBondContact CG-O 3.47Å; K143-N164 WeakPolarHBondContact CE-ND2 3.39Å; K143-N164 PolarHBondContact NZ-ND2 2.87Å
144	V	98.8	Very high	98.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.1	171.9	-176.7	0	0	0	0	108.7	T139 G142 L146 T158 K162 M163 N164	T139-V144 HydrophobicContact CG2-CG2 3.8Å; G142-V144 PolarHBondContact O-N 2.78Å; V144-L146 HydrophobicContact CG1-CD2 3.64Å; V144-L146 HydrophobicContact CG1-CG 3.95Å; V144-T158 HydrophobicContact CG2-CG2 3.99Å; V144-K162 PolarHBondContact N-O 2.94Å; V144-M163 HydrophobicContact CB-CG 4.23Å; V144-M163 WeakPolarHBondContact O-CA 3.33Å; V144-N164 PolarHBondContact O-N 3.05Å
145	E	98.8	Very high	98.3	Very high	47 Å²	47	38.3 Å²	38.3	22%	0.22	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	116	175.5	-72	-177.1	-169.2	0	0	110.1	K124 M125 I126 I127 K143 N164	K124-E145 WeakPolarHBondContact CE-OE1 3.27Å; K124-E145 WeakPolarHBondContact CE-OE2 2.99Å; K124-E145 IonicContact NZ-OE1 2.68Å; K124-E145 PolarHBondContact NZ-OE1 2.99Å; K124-E145 IonicContact NZ-OE2 2.63Å; K124-E145 PolarHBondContact NZ-OE2 2.82Å; M125-E145 PolarHBondContact O-N 2.86Å; I126-E145 WeakPolarHBondContact CA-O 3.47Å; I126-E145 HydrophobicContact CG1-CB 4.48Å; I127-E145 PolarHBondContact N-O 3.43Å; K143-E145 HydrophobicContact CD-CG 3.93Å; K143-E145 VanDerWaalsContact CD-OE1 3.29Å; K143-E145 WeakPolarHBondContact CD-OE1 3.38Å; K143-E145 VanDerWaalsContact CE-CG 3.5Å; K143-E145 WeakPolarHBondContact CE-OE1 3.36Å; K143-E145 HydrophobicContact CG-CG 4.18Å; K143-E145 IonicContact NZ-OE1 2.85Å; K143-E145 PolarHBondContact NZ-OE1 2.67Å; E145-N164 HydrophobicContact CG-CB 4.22Å
146	L	98.9	Very high	98.3	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.1	179.8	-50.5	-173.9	0	0	0	109.2	I127 V144 L149 F156 N164 L165 S166 L168 F175	I127-L146 HydrophobicContact CB-CD2 3.81Å; I127-L146 HydrophobicContact CD1-CD2 3.76Å; I127-L146 HydrophobicContact CG1-CD2 3.92Å; I127-L146 WeakPolarHBondContact O-CA 3.34Å; V144-L146 HydrophobicContact CG1-CD2 3.64Å; V144-L146 HydrophobicContact CG1-CG 3.95Å; L146-L149 HydrophobicContact CB-CD1 3.77Å; L146-L149 HydrophobicContact CB-CG 4.44Å; L146-L149 HydrophobicContact CD1-CD1 4.18Å; L146-L149 HydrophobicContact CD2-CD1 4.1Å; L146-L149 HydrophobicContact CG-CD1 4.24Å; L146-F156 HydrophobicContact CD1-CB 4.49Å; L146-F156 HydrophobicContact CD1-CD1 3.36Å; L146-F156 HydrophobicContact CD1-CD2 4.06Å; L146-F156 HydrophobicContact CD1-CE1 3.43Å; L146-F156 VanDerWaalsContact CD1-CE1 3.43Å; L146-F156 HydrophobicContact CD1-CE2 4.11Å; L146-F156 HydrophobicContact CD1-CG 3.71Å; L146-F156 HydrophobicContact CD1-CZ 3.82Å; L146-F156 HydrophobicContact CD2-CD1 3.8Å; L146-F156 HydrophobicContact CD2-CE1 3.77Å; L146-F156 HydrophobicContact CG-CD1 4.21Å; L146-F156 HydrophobicContact CG-CE1 4.28Å; L146-N164 PolarHBondContact N-O 2.94Å; L146-L165 HydrophobicContact CB-CD2 4.27Å; L146-L165 HydrophobicContact CD1-CD2 3.58Å; L146-L165 HydrophobicContact CG-CD2 3.99Å; L146-S166 PolarHBondContact O-N 2.81Å; L146-S166 PolarHBondContact O-OG 2.86Å; L146-L168 HydrophobicContact CB-CD1 4.27Å; L146-L168 HydrophobicContact CB-CD2 3.95Å; L146-L168 HydrophobicContact CD1-CD1 4.17Å; L146-F175 HydrophobicContact CD1-CD1 4.17Å; L146-F175 HydrophobicContact CD1-CE1 3.63Å
147	S	98.8	Very high	98.3	Very high	27 Å²	27	38.5 Å²	38.5	19%	0.189	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	134.8	178	49.6	0	0	0	0	112.2	I127 N128 D129 L149 S166	I127-S147 PolarHBondContact O-N 2.64Å; N128-S147 CarbonylContact C-O 3.53Å; N128-S147 VanDerWaalsContact CA-O 3.27Å; N128-S147 WeakPolarHBondContact CA-O 3.12Å; N128-S147 PolarHBondContact OD1-OG 3.46Å; D129-S147 PolarHBondContact N-O 2.99Å; S147-L149 WeakPolarHBondContact O-CD2 3.02Å; S147-L149 PolarHBondContact O-N 3.44Å; S147-S166 CarbonylContact C-O 3.52Å; S147-S166 VanDerWaalsContact CA-O 3.24Å; S147-S166 WeakPolarHBondContact CA-O 3.43Å; S147-S166 WeakPolarHBondContact CA-OG 3.28Å; S147-S166 VanDerWaalsContact CB-OG 3.31Å; S147-S166 WeakPolarHBondContact CB-OG 3.29Å
148	Q	98.8	Very high	98.3	Very high	104 Å²	104	38.8 Å²	38.8	49%	0.486	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.4	52.3	173.7	-56.9	-71.9	-45.5	0	0	112.3	D129 V130 S166 D167	D129-Q148 VanDerWaalsContact CA-O 3.28Å; D129-Q148 WeakPolarHBondContact CA-O 3.02Å; D129-Q148 PolarHBondContact N-O 3.42Å; V130-Q148 PolarHBondContact N-O 3.23Å; Q148-S166 PolarHBondContact N-O 3.18Å; Q148-D167 VanDerWaalsContact CA-O 3.27Å; Q148-D167 WeakPolarHBondContact CA-O 3.4Å; Q148-D167 HydrophobicContact CG-CB 4.47Å; Q148-D167 PolarHBondContact N-O 3.3Å; Q148-D167 PolarHBondContact NE2-OD2 2.96Å
149	L	98.8	Very high	98.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142	-179.3	-48.7	-173.6	0	0	0	111.9	I127 V130 L146 S147 F151 F156 D167 L168 N169	I127-L149 HydrophobicContact CB-CD1 4.25Å; I127-L149 HydrophobicContact CB-CD2 4.31Å; I127-L149 HydrophobicContact CG2-CD1 3.87Å; I127-L149 HydrophobicContact CG2-CD2 3.57Å; I127-L149 HydrophobicContact CG2-CG 4.42Å; V130-L149 HydrophobicContact CB-CD2 3.83Å; V130-L149 HydrophobicContact CG2-CD2 4.22Å; V130-L149 CarbonylContact O-C 3.6Å; V130-L149 WeakPolarHBondContact O-CA 3.49Å; L146-L149 HydrophobicContact CB-CD1 3.77Å; L146-L149 HydrophobicContact CB-CG 4.44Å; L146-L149 HydrophobicContact CD1-CD1 4.18Å; L146-L149 HydrophobicContact CD2-CD1 4.1Å; L146-L149 HydrophobicContact CG-CD1 4.24Å; S147-L149 WeakPolarHBondContact O-CD2 3.02Å; S147-L149 PolarHBondContact O-N 3.44Å; L149-F151 HydrophobicContact CB-CD1 4.01Å; L149-F151 HydrophobicContact CB-CE1 4.12Å; L149-F156 HydrophobicContact CD1-CE1 4.48Å; L149-F156 HydrophobicContact CD1-CZ 4.39Å; L149-D167 PolarHBondContact N-O 2.93Å; L149-L168 HydrophobicContact CB-CD2 3.71Å; L149-L168 HydrophobicContact CD1-CD2 4Å; L149-L168 HydrophobicContact CG-CD2 3.64Å; L149-L168 WeakPolarHBondContact O-CA 3.43Å; L149-N169 PolarHBondContact O-N 2.91Å
150	K	98.8	Very high	98.3	Very high	114 Å²	114	41.1 Å²	41.1	50%	0.496	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.3	163.7	-62.7	176.4	-169.1	165.8	0	108.7	V130 D131 S132 N169	V130-K150 PolarHBondContact O-N 3.39Å; D131-K150 WeakPolarHBondContact CA-O 3.21Å; S132-K150 PolarHBondContact N-O 2.72Å; K150-N169 VanDerWaalsContact CA-O 3.28Å; K150-N169 WeakPolarHBondContact CA-O 3.35Å; K150-N169 HydrophobicContact CG-CB 4.43Å
151	F	98.8	Very high	98.3	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.8	174.8	54	-89.1	0	0	0	111.5	S132 V135 L149 D153 F156 N169 F170 N171 E172 F175	S132-F151 WeakPolarHBondContact O-CA 3.36Å; V135-F151 HydrophobicContact CG2-CB 3.93Å; V135-F151 HydrophobicContact CG2-CD1 4.47Å; V135-F151 HydrophobicContact CG2-CG 4.26Å; L149-F151 HydrophobicContact CB-CD1 4.01Å; L149-F151 HydrophobicContact CB-CE1 4.12Å; F151-D153 VanDerWaalsContact CD2-C 3.46Å; F151-F156 HydrophobicContact CE1-CE2 4.14Å; F151-F156 HydrophobicContact CE1-CZ 4.09Å; F151-F156 HydrophobicContact CE2-CE2 4.21Å; F151-F156 AromaticContact CZ-CE2 3.74Å; F151-F156 HydrophobicContact CZ-CE2 3.74Å; F151-F156 HydrophobicContact CZ-CZ 4.16Å; F151-N169 PolarHBondContact N-O 2.88Å; F151-F170 HydrophobicContact CD1-CB 4.13Å; F151-F170 HydrophobicContact CD2-CB 3.34Å; F151-F170 HydrophobicContact CD2-CG 4.07Å; F151-F170 HydrophobicContact CE1-CB 3.99Å; F151-F170 AromaticContact CE1-CD1 3.73Å; F151-F170 HydrophobicContact CE1-CD1 3.73Å; F151-F170 HydrophobicContact CE1-CG 4.13Å; F151-F170 HydrophobicContact CE2-CB 3.18Å; F151-F170 AromaticContact CE2-CD1 3.76Å; F151-F170 HydrophobicContact CE2-CD1 3.76Å; F151-F170 AromaticContact CE2-CD2 3.95Å; F151-F170 HydrophobicContact CE2-CD2 3.95Å; F151-F170 AromaticContact CE2-CG 3.36Å; F151-F170 HydrophobicContact CE2-CG 3.36Å; F151-F170 HydrophobicContact CG-CB 3.83Å; F151-F170 HydrophobicContact CZ-CB 3.54Å; F151-F170 AromaticContact CZ-CD1 3.23Å; F151-F170 HydrophobicContact CZ-CD1 3.23Å; F151-F170 HydrophobicContact CZ-CD2 4.21Å; F151-F170 AromaticContact CZ-CE1 3.93Å; F151-F170 HydrophobicContact CZ-CE1 3.93Å; F151-F170 AromaticContact CZ-CG 3.4Å; F151-F170 HydrophobicContact CZ-CG 3.4Å; F151-F170 WeakPolarHBondContact O-CA 3.45Å; F151-F170 WeakPolarHBondContact O-CB 3.49Å; F151-N171 PolarHBondContact O-N 3.32Å; F151-E172 WeakPolarHBondContact CE2-O 3.42Å; F151-F175 HydrophobicContact CZ-CZ 4.15Å
152	D	98.8	Very high	98.4	Very high	59 Å²	59	39.4 Å²	39.4	32%	0.316	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-57.9	168.8	-70.4	-35.7	0	0	0	108.7	N133 N171 E172	N133-D152 WeakPolarHBondContact O-CA 3.38Å; N133-D152 WeakPolarHBondContact O-CB 3.06Å; N133-D152 PolarHBondContact O-N 2.87Å; D152-N171 WeakPolarHBondContact CB-ND2 3.42Å; D152-N171 WeakPolarHBondContact O-CA 3.38Å; D152-N171 VanDerWaalsContact O-CB 3.3Å; D152-N171 WeakPolarHBondContact O-CB 3.24Å; D152-N171 PolarHBondContact O-N 3.29Å; D152-N171 PolarHBondContact OD1-ND2 2.86Å; D152-E172 PolarHBondContact O-N 2.94Å
153	D	98.8	Very high	98.6	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.444	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	133.5	-178.6	-53	-64.5	0	0	0	110.9	N133 S134 V135 F151 E172	N133-D153 PolarHBondContact O-N 3.18Å; S134-D153 CarbonylContact C-O 3.59Å; S134-D153 VanDerWaalsContact CA-O 3.29Å; S134-D153 WeakPolarHBondContact CA-O 3.39Å; V135-D153 PolarHBondContact N-O 2.9Å; F151-D153 VanDerWaalsContact CD2-C 3.46Å; D153-E172 WeakPolarHBondContact CA-O 3.3Å
154	G	98.8	Very high	98.6	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	129	-179.9	0	0	0	0	0	113.9	V135 E172 G173 E174	V135-G154 CarbonylContact O-C 3.59Å; V135-G154 VanDerWaalsContact O-CA 3.28Å; V135-G154 WeakPolarHBondContact O-CA 3.33Å; G154-E172 PolarHBondContact N-O 3.05Å; G154-G173 CarbonylContact O-C 3.48Å; G154-G173 WeakPolarHBondContact O-CA 2.79Å; G154-E174 PolarHBondContact O-N 3.37Å
155	S	98.9	Very high	98.6	Very high	27 Å²	27	38.4 Å²	38.4	19%	0.189	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.3	167.9	-172.2	0	0	0	0	110.4	V135 A137	V135-S155 PolarHBondContact O-N 2.86Å; A137-S155 PolarHBondContact N-O 2.93Å
156	F	98.9	Very high	98.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.3	-179	-55.9	-92.5	0	0	0	109.4	I127 V135 A137 L146 L149 F151 M163 E174 F175 Q176	I127-F156 HydrophobicContact CD1-CE1 4.02Å; V135-F156 HydrophobicContact CB-CE1 4.29Å; V135-F156 HydrophobicContact CB-CZ 3.86Å; V135-F156 HydrophobicContact CG1-CE1 3.49Å; V135-F156 VanDerWaalsContact CG1-CE1 3.49Å; V135-F156 HydrophobicContact CG1-CZ 3.58Å; A137-F156 HydrophobicContact CB-CD1 3.51Å; A137-F156 HydrophobicContact CB-CE1 3.91Å; A137-F156 HydrophobicContact CB-CG 4.42Å; A137-F156 WeakPolarHBondContact O-CA 3.46Å; L146-F156 HydrophobicContact CD1-CB 4.49Å; L146-F156 HydrophobicContact CD1-CD1 3.36Å; L146-F156 HydrophobicContact CD1-CD2 4.06Å; L146-F156 HydrophobicContact CD1-CE1 3.43Å; L146-F156 VanDerWaalsContact CD1-CE1 3.43Å; L146-F156 HydrophobicContact CD1-CE2 4.11Å; L146-F156 HydrophobicContact CD1-CG 3.71Å; L146-F156 HydrophobicContact CD1-CZ 3.82Å; L146-F156 HydrophobicContact CD2-CD1 3.8Å; L146-F156 HydrophobicContact CD2-CE1 3.77Å; L146-F156 HydrophobicContact CG-CD1 4.21Å; L146-F156 HydrophobicContact CG-CE1 4.28Å; L149-F156 HydrophobicContact CD1-CE1 4.48Å; L149-F156 HydrophobicContact CD1-CZ 4.39Å; F151-F156 HydrophobicContact CE1-CE2 4.14Å; F151-F156 HydrophobicContact CE1-CZ 4.09Å; F151-F156 HydrophobicContact CE2-CE2 4.21Å; F151-F156 AromaticContact CZ-CE2 3.74Å; F151-F156 HydrophobicContact CZ-CE2 3.74Å; F151-F156 HydrophobicContact CZ-CZ 4.16Å; F156-M163 VanDerWaalsContact O-CE 3.28Å; F156-M163 WeakPolarHBondContact O-CE 3.36Å; F156-E174 PolarHBondContact N-O 2.83Å; F156-F175 HydrophobicContact CB-CD1 3.81Å; F156-F175 HydrophobicContact CB-CE1 4.33Å; F156-F175 AromaticContact CD2-CD1 3.51Å; F156-F175 HydrophobicContact CD2-CD1 3.51Å; F156-F175 AromaticContact CD2-CE1 3.2Å; F156-F175 HydrophobicContact CD2-CE1 3.2Å; F156-F175 HydrophobicContact CD2-CG 4.42Å; F156-F175 AromaticContact CD2-CZ 3.94Å; F156-F175 HydrophobicContact CD2-CZ 3.94Å; F156-F175 HydrophobicContact CE2-CD1 4.35Å; F156-F175 AromaticContact CE2-CE1 3.59Å; F156-F175 HydrophobicContact CE2-CE1 3.59Å; F156-F175 HydrophobicContact CE2-CZ 4.03Å; F156-F175 AromaticContact CG-CD1 3.86Å; F156-F175 HydrophobicContact CG-CD1 3.86Å; F156-F175 AromaticContact CG-CE1 3.86Å; F156-F175 HydrophobicContact CG-CE1 3.86Å; F156-F175 WeakPolarHBondContact O-CA 3.4Å; F156-Q176 PolarHBondContact O-N 2.88Å
157	E	98.7	Very high	98.6	Very high	66 Å²	66	40.3 Å²	40.3	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.5	-172.2	-60	-165.9	-169.5	0	0	112.8	A137 E138 T139 Q176	A137-E157 PolarHBondContact O-N 2.9Å; E138-E157 HydrophobicContact CG-CB 4.25Å; T139-E157 PolarHBondContact N-O 3.38Å; E157-Q176 WeakPolarHBondContact CA-O 3.27Å; E157-Q176 HydrophobicContact CG-CB 4.36Å
158	T	98.5	Very high	98.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	137.2	158.5	179.9	0	0	0	0	115.1	T139 S140 G142 V144 N160 G161 M163 Q176 T177	T139-T158 WeakPolarHBondContact O-CA 3.11Å; T139-T158 WeakPolarHBondContact O-CB 3.27Å; T139-T158 PolarHBondContact O-OG1 2.94Å; S140-T158 PolarHBondContact O-OG1 2.89Å; G142-T158 PolarHBondContact O-OG1 2.81Å; V144-T158 HydrophobicContact CG2-CG2 3.99Å; T158-N160 PolarHBondContact O-N 2.94Å; T158-G161 WeakPolarHBondContact CG2-O 3.43Å; T158-G161 PolarHBondContact OG1-N 3.39Å; T158-M163 HydrophobicContact CG2-CE 3.73Å; T158-M163 HydrophobicContact CG2-CG 4.24Å; T158-Q176 PolarHBondContact N-O 2.95Å; T158-T177 WeakPolarHBondContact O-CA 3.08Å; T158-T177 WeakPolarHBondContact O-CB 3.3Å; T158-T177 PolarHBondContact O-OG1 2.8Å
159	S	98.2	Very high	98.6	Very high	52 Å²	52	36.6 Å²	36.6	36%	0.364	20%	0.196	S	C	.	.	S	Bend	trans	-67.5	-39.5	-178.9	-40.2	0	0	0	0	113.1	S140 T177 S178 N179	S140-S159 WeakPolarHBondContact O-CA 3.2Å; S140-S159 WeakPolarHBondContact O-CB 3.48Å; S140-S159 PolarHBondContact O-N 2.86Å; S140-S159 PolarHBondContact O-OG 2.75Å; S159-T177 PolarHBondContact O-OG1 2.65Å; S159-S178 WeakPolarHBondContact O-CA 3.06Å; S159-S178 WeakPolarHBondContact O-CB 3.47Å; S159-S178 PolarHBondContact O-N 2.83Å; S159-N179 PolarHBondContact O-N 3.19Å
160	N	97.6	Very high	98.6	Very high	74 Å²	74	36.4 Å²	36.4	40%	0.396	20%	0.195	S	C	.	.	S	Bend	trans	-125	-14.2	-172.1	-65.2	-59.3	0	0	0	115.3	S140 N141 T158 N179	S140-N160 PolarHBondContact O-N 3.19Å; S140-N160 VanDerWaalsContact O-N 3.13Å; N141-N160 PolarHBondContact OD1-ND2 2.77Å; T158-N160 PolarHBondContact O-N 2.94Å; N160-N179 PolarHBondContact OD1-ND2 3.49Å
161	G	97.4	Very high	98.6	Very high	5 Å²	5	32.3 Å²	32.3	5%	0.052	18%	0.179	C	C	.	.			trans	-77	143.7	-173.7	0	0	0	0	0	113.9	G142 T158 T177 G180	G142-G161 WeakPolarHBondContact O-CA 3.46Å; T158-G161 WeakPolarHBondContact CG2-O 3.43Å; T158-G161 PolarHBondContact OG1-N 3.39Å; G161-T177 PolarHBondContact O-OG1 2.9Å; G161-G180 WeakPolarHBondContact O-CA 2.98Å
162	K	98.4	Very high	98.6	Very high	82 Å²	82	36.4 Å²	36.4	36%	0.357	20%	0.198	S	C	.	.			trans	-60.5	141.5	164.3	-177.8	-178.2	-170.3	-173.8	0	109.7	K143 V144 N164 K181 N183	K143-K162 WeakPolarHBondContact CA-O 2.9Å; K143-K162 HydrophobicContact CG-CB 4.28Å; K143-K162 WeakPolarHBondContact CG-O 3.47Å; V144-K162 PolarHBondContact N-O 2.94Å; K162-N164 WeakPolarHBondContact CE-OD1 3.36Å; K162-N164 PolarHBondContact NZ-OD1 3.06Å; K162-K181 WeakPolarHBondContact CA-O 3.41Å; K162-K181 HydrophobicContact CG-CB 4.32Å; K162-K181 VanDerWaalsContact CG-O 3.27Å; K162-K181 WeakPolarHBondContact CG-O 3.13Å; K162-N183 VanDerWaalsContact CE-CG 3.46Å; K162-N183 WeakPolarHBondContact CE-ND2 3.46Å
163	M	98.9	Very high	98.6	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.7	166.8	-62.4	-169.6	175.8	0	0	110.5	V144 F156 T158 L165 F175 Q176 T177 K181 I182 N183	V144-M163 HydrophobicContact CB-CG 4.23Å; V144-M163 WeakPolarHBondContact O-CA 3.33Å; F156-M163 VanDerWaalsContact O-CE 3.28Å; F156-M163 WeakPolarHBondContact O-CE 3.36Å; T158-M163 HydrophobicContact CG2-CE 3.73Å; T158-M163 HydrophobicContact CG2-CG 4.24Å; M163-L165 HydrophobicContact CB-CD2 4.33Å; M163-F175 HydrophobicContact SD-CB 3.84Å; M163-Q176 VanDerWaalsContact CE-C 3.43Å; M163-Q176 WeakPolarHBondContact CE-O 3.36Å; M163-T177 HydrophobicContact CG-CG2 4.48Å; M163-K181 PolarHBondContact N-O 3.37Å; M163-I182 HydrophobicContact CB-CG1 4.3Å; M163-I182 HydrophobicContact CB-CG2 4.26Å; M163-I182 HydrophobicContact SD-CG1 4.49Å; M163-N183 PolarHBondContact O-N 2.95Å; M163-N183 PolarHBondContact O-ND2 2.91Å
164	N	98.9	Very high	98.6	Very high	41 Å²	41	33.2 Å²	33.2	22%	0.219	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.7	170.4	-79.4	-0	0	0	0	108.3	K143 V144 E145 L146 K162	K143-N164 WeakPolarHBondContact CE-ND2 3.39Å; K143-N164 PolarHBondContact NZ-ND2 2.87Å; V144-N164 PolarHBondContact O-N 3.05Å; E145-N164 HydrophobicContact CG-CB 4.22Å; L146-N164 PolarHBondContact N-O 2.94Å; K162-N164 WeakPolarHBondContact CE-OD1 3.36Å; K162-N164 PolarHBondContact NZ-OD1 3.06Å
165	L	98.9	Very high	98.6	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	117	-177.8	-47.8	-175.9	0	0	0	107.8	L146 M163 L168 F175 I182 N183 L184 M185 V187 L195	L146-L165 HydrophobicContact CB-CD2 4.27Å; L146-L165 HydrophobicContact CD1-CD2 3.58Å; L146-L165 HydrophobicContact CG-CD2 3.99Å; M163-L165 HydrophobicContact CB-CD2 4.33Å; L165-L168 HydrophobicContact CB-CD1 3.75Å; L165-L168 HydrophobicContact CB-CG 4.45Å; L165-L168 HydrophobicContact CD2-CD1 4.18Å; L165-L168 HydrophobicContact CG-CD1 4.38Å; L165-F175 HydrophobicContact CD1-CB 4.21Å; L165-F175 HydrophobicContact CD1-CD1 3.54Å; L165-F175 HydrophobicContact CD1-CD2 3.97Å; L165-F175 HydrophobicContact CD1-CE1 3.82Å; L165-F175 HydrophobicContact CD1-CE2 4.22Å; L165-F175 HydrophobicContact CD1-CG 3.62Å; L165-F175 HydrophobicContact CD1-CZ 4.13Å; L165-F175 HydrophobicContact CD2-CD1 3.48Å; L165-F175 VanDerWaalsContact CD2-CD1 3.48Å; L165-F175 HydrophobicContact CD2-CE1 3.64Å; L165-F175 HydrophobicContact CD2-CG 4.35Å; L165-F175 HydrophobicContact CG-CD1 4.19Å; L165-F175 HydrophobicContact CG-CE1 4.36Å; L165-I182 HydrophobicContact CD1-CG2 3.95Å; L165-I182 HydrophobicContact CG-CG2 4.42Å; L165-N183 WeakPolarHBondContact CB-O 3.33Å; L165-N183 PolarHBondContact N-O 3.41Å; L165-L184 HydrophobicContact CD1-CD2 4.27Å; L165-L184 HydrophobicContact CD1-CG 4.19Å; L165-L184 CarbonylContact O-C 3.59Å; L165-M185 PolarHBondContact O-N 2.89Å; L165-V187 HydrophobicContact CB-CG2 3.98Å; L165-L195 HydrophobicContact CD1-CD2 4.16Å
166	S	98.7	Very high	98.6	Very high	33 Å²	33	34.1 Å²	34.1	23%	0.231	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	127.2	-178.7	49.2	0	0	0	0	112	L146 S147 Q148 L168 M185	L146-S166 PolarHBondContact O-N 2.81Å; L146-S166 PolarHBondContact O-OG 2.86Å; S147-S166 CarbonylContact C-O 3.52Å; S147-S166 VanDerWaalsContact CA-O 3.24Å; S147-S166 WeakPolarHBondContact CA-O 3.43Å; S147-S166 WeakPolarHBondContact CA-OG 3.28Å; S147-S166 VanDerWaalsContact CB-OG 3.31Å; S147-S166 WeakPolarHBondContact CB-OG 3.29Å; Q148-S166 PolarHBondContact N-O 3.18Å; S166-L168 VanDerWaalsContact O-CD2 3.29Å; S166-L168 WeakPolarHBondContact O-CD2 3.4Å; S166-M185 CarbonylContact C-O 3.53Å; S166-M185 VanDerWaalsContact CA-O 3.28Å; S166-M185 WeakPolarHBondContact CA-O 3.18Å
167	D	98.7	Very high	98.6	Very high	56 Å²	56	34.4 Å²	34.4	30%	0.299	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.6	58.3	175.4	-51.8	-62.3	0	0	0	112.6	Q148 L149 M185 N186	Q148-D167 VanDerWaalsContact CA-O 3.27Å; Q148-D167 WeakPolarHBondContact CA-O 3.4Å; Q148-D167 HydrophobicContact CG-CB 4.47Å; Q148-D167 PolarHBondContact N-O 3.3Å; Q148-D167 PolarHBondContact NE2-OD2 2.96Å; L149-D167 PolarHBondContact N-O 2.93Å; D167-M185 PolarHBondContact N-O 3Å; D167-N186 WeakPolarHBondContact CA-O 2.89Å; D167-N186 WeakPolarHBondContact OD1-CB 2.91Å; D167-N186 PolarHBondContact OD1-ND2 2.86Å
168	L	98.8	Very high	98.6	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.7	-179.9	-49.2	-172	0	0	0	109.9	L146 L149 L165 S166 F170 F175 N186 V187 K188	L146-L168 HydrophobicContact CB-CD1 4.27Å; L146-L168 HydrophobicContact CB-CD2 3.95Å; L146-L168 HydrophobicContact CD1-CD1 4.17Å; L149-L168 HydrophobicContact CB-CD2 3.71Å; L149-L168 HydrophobicContact CD1-CD2 4Å; L149-L168 HydrophobicContact CG-CD2 3.64Å; L149-L168 WeakPolarHBondContact O-CA 3.43Å; L165-L168 HydrophobicContact CB-CD1 3.75Å; L165-L168 HydrophobicContact CB-CG 4.45Å; L165-L168 HydrophobicContact CD2-CD1 4.18Å; L165-L168 HydrophobicContact CG-CD1 4.38Å; S166-L168 VanDerWaalsContact O-CD2 3.29Å; S166-L168 WeakPolarHBondContact O-CD2 3.4Å; L168-F170 HydrophobicContact CB-CD1 3.92Å; L168-F170 HydrophobicContact CB-CE1 3.77Å; L168-F170 HydrophobicContact CD1-CE1 4.48Å; L168-F175 HydrophobicContact CD1-CE1 3.94Å; L168-F175 HydrophobicContact CD1-CZ 3.85Å; L168-N186 PolarHBondContact N-O 2.66Å; L168-V187 HydrophobicContact CB-CG2 4.38Å; L168-V187 HydrophobicContact CD1-CG2 4.42Å; L168-V187 HydrophobicContact CG-CG2 4.31Å; L168-K188 PolarHBondContact O-N 2.83Å
169	N	98.8	Very high	98.6	Very high	50 Å²	50	36.7 Å²	36.7	27%	0.267	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	115.4	176.2	177.3	6.5	0	0	0	109.9	L149 K150 F151 K188	L149-N169 PolarHBondContact O-N 2.91Å; K150-N169 VanDerWaalsContact CA-O 3.28Å; K150-N169 WeakPolarHBondContact CA-O 3.35Å; K150-N169 HydrophobicContact CG-CB 4.43Å; F151-N169 PolarHBondContact N-O 2.88Å; N169-K188 WeakPolarHBondContact CA-O 3.48Å
170	F	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	167.6	-172.2	52.5	-94.8	0	0	0	114.3	F151 L168 E172 F175 V187 K188 P189 K190 S192 L193	F151-F170 HydrophobicContact CD1-CB 4.13Å; F151-F170 HydrophobicContact CD2-CB 3.34Å; F151-F170 HydrophobicContact CD2-CG 4.07Å; F151-F170 HydrophobicContact CE1-CB 3.99Å; F151-F170 AromaticContact CE1-CD1 3.73Å; F151-F170 HydrophobicContact CE1-CD1 3.73Å; F151-F170 HydrophobicContact CE1-CG 4.13Å; F151-F170 HydrophobicContact CE2-CB 3.18Å; F151-F170 AromaticContact CE2-CD1 3.76Å; F151-F170 HydrophobicContact CE2-CD1 3.76Å; F151-F170 AromaticContact CE2-CD2 3.95Å; F151-F170 HydrophobicContact CE2-CD2 3.95Å; F151-F170 AromaticContact CE2-CG 3.36Å; F151-F170 HydrophobicContact CE2-CG 3.36Å; F151-F170 HydrophobicContact CG-CB 3.83Å; F151-F170 HydrophobicContact CZ-CB 3.54Å; F151-F170 AromaticContact CZ-CD1 3.23Å; F151-F170 HydrophobicContact CZ-CD1 3.23Å; F151-F170 HydrophobicContact CZ-CD2 4.21Å; F151-F170 AromaticContact CZ-CE1 3.93Å; F151-F170 HydrophobicContact CZ-CE1 3.93Å; F151-F170 AromaticContact CZ-CG 3.4Å; F151-F170 HydrophobicContact CZ-CG 3.4Å; F151-F170 WeakPolarHBondContact O-CA 3.45Å; F151-F170 WeakPolarHBondContact O-CB 3.49Å; L168-F170 HydrophobicContact CB-CD1 3.92Å; L168-F170 HydrophobicContact CB-CE1 3.77Å; L168-F170 HydrophobicContact CD1-CE1 4.48Å; F170-E172 VanDerWaalsContact CD2-C 3.48Å; F170-F175 HydrophobicContact CE1-CE2 4.29Å; F170-F175 HydrophobicContact CE1-CZ 4.12Å; F170-F175 AromaticContact CZ-CE2 3.93Å; F170-F175 HydrophobicContact CZ-CE2 3.93Å; F170-F175 HydrophobicContact CZ-CZ 4.22Å; F170-V187 HydrophobicContact CE1-CG1 3.7Å; F170-V187 HydrophobicContact CZ-CG1 3.72Å; F170-K188 PolarHBondContact N-O 2.72Å; F170-P189 HydrophobicContact CD2-CB 4.25Å; F170-P189 HydrophobicContact CE2-CB 3.64Å; F170-P189 HydrophobicContact CZ-CB 4.1Å; F170-P189 CarbonylContact O-C 3.49Å; F170-P189 WeakPolarHBondContact O-CA 2.91Å; F170-K190 WeakPolarHBondContact O-CG 3.31Å; F170-K190 PolarHBondContact O-N 2.89Å; F170-S192 WeakPolarHBondContact CE2-O 3.29Å; F170-L193 HydrophobicContact CE2-CB 4.48Å; F170-L193 HydrophobicContact CE2-CD1 4.28Å; F170-L193 HydrophobicContact CZ-CD1 3.86Å
171	N	98.8	Very high	98.6	Very high	28 Å²	28	33.4 Å²	33.4	15%	0.15	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-62.4	172	-53.2	-21.1	0	0	0	109	F151 D152 K190 E191 S192	F151-N171 PolarHBondContact O-N 3.32Å; D152-N171 WeakPolarHBondContact CB-ND2 3.42Å; D152-N171 WeakPolarHBondContact O-CA 3.38Å; D152-N171 VanDerWaalsContact O-CB 3.3Å; D152-N171 WeakPolarHBondContact O-CB 3.24Å; D152-N171 PolarHBondContact O-N 3.29Å; D152-N171 PolarHBondContact OD1-ND2 2.86Å; N171-K190 WeakPolarHBondContact OD1-CD 3.28Å; N171-K190 PolarHBondContact OD1-NZ 2.93Å; N171-E191 HydrophobicContact CB-CG 4.14Å; N171-E191 CarbonylContact O-C 3.58Å; N171-E191 WeakPolarHBondContact O-CA 3.36Å; N171-E191 WeakPolarHBondContact O-CB 3.37Å; N171-E191 PolarHBondContact O-N 2.9Å; N171-S192 PolarHBondContact O-N 3.07Å
172	E	98.9	Very high	98.7	Very high	89 Å²	89	33.2 Å²	33.2	42%	0.416	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.7	-179.6	-57.3	-168.4	-165.3	0	0	110.7	F151 D152 D153 G154 F170 E191 S192	F151-E172 WeakPolarHBondContact CE2-O 3.42Å; D152-E172 PolarHBondContact O-N 2.94Å; D153-E172 WeakPolarHBondContact CA-O 3.3Å; G154-E172 PolarHBondContact N-O 3.05Å; F170-E172 VanDerWaalsContact CD2-C 3.48Å; E172-E191 HydrophobicContact CG-CB 4.23Å; E172-S192 WeakPolarHBondContact CA-OG 3.3Å; E172-S192 VanDerWaalsContact CB-OG 3.29Å; E172-S192 WeakPolarHBondContact CB-OG 3.07Å; E172-S192 WeakPolarHBondContact CG-OG 3.42Å
173	G	98.9	Very high	98.7	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	127.9	-178.2	0	0	0	0	0	113	G154 S192 L193 S194	G154-G173 CarbonylContact O-C 3.48Å; G154-G173 WeakPolarHBondContact O-CA 2.79Å; G173-S192 PolarHBondContact N-O 3.42Å; G173-L193 WeakPolarHBondContact O-CA 3.48Å; G173-S194 PolarHBondContact O-N 2.94Å
174	E	98.9	Very high	98.7	Very high	72 Å²	72	31.3 Å²	31.3	34%	0.336	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.7	178.9	176.8	158	-138.5	0	0	110.8	G154 F156 Q176	G154-E174 PolarHBondContact O-N 3.37Å; F156-E174 PolarHBondContact N-O 2.83Å; E174-Q176 HydrophobicContact CG-CG 3.81Å; E174-Q176 PolarHBondContact OE1-NE2 3.26Å
175	F	98.9	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.5	-177	-52.4	-92.8	0	0	0	109.8	L146 F151 F156 M163 L165 L168 F170 L193 S194 L195 E196	L146-F175 HydrophobicContact CD1-CD1 4.17Å; L146-F175 HydrophobicContact CD1-CE1 3.63Å; F151-F175 HydrophobicContact CZ-CZ 4.15Å; F156-F175 HydrophobicContact CB-CD1 3.81Å; F156-F175 HydrophobicContact CB-CE1 4.33Å; F156-F175 AromaticContact CD2-CD1 3.51Å; F156-F175 HydrophobicContact CD2-CD1 3.51Å; F156-F175 AromaticContact CD2-CE1 3.2Å; F156-F175 HydrophobicContact CD2-CE1 3.2Å; F156-F175 HydrophobicContact CD2-CG 4.42Å; F156-F175 AromaticContact CD2-CZ 3.94Å; F156-F175 HydrophobicContact CD2-CZ 3.94Å; F156-F175 HydrophobicContact CE2-CD1 4.35Å; F156-F175 AromaticContact CE2-CE1 3.59Å; F156-F175 HydrophobicContact CE2-CE1 3.59Å; F156-F175 HydrophobicContact CE2-CZ 4.03Å; F156-F175 AromaticContact CG-CD1 3.86Å; F156-F175 HydrophobicContact CG-CD1 3.86Å; F156-F175 AromaticContact CG-CE1 3.86Å; F156-F175 HydrophobicContact CG-CE1 3.86Å; F156-F175 WeakPolarHBondContact O-CA 3.4Å; M163-F175 HydrophobicContact SD-CB 3.84Å; L165-F175 HydrophobicContact CD1-CB 4.21Å; L165-F175 HydrophobicContact CD1-CD1 3.54Å; L165-F175 HydrophobicContact CD1-CD2 3.97Å; L165-F175 HydrophobicContact CD1-CE1 3.82Å; L165-F175 HydrophobicContact CD1-CE2 4.22Å; L165-F175 HydrophobicContact CD1-CG 3.62Å; L165-F175 HydrophobicContact CD1-CZ 4.13Å; L165-F175 HydrophobicContact CD2-CD1 3.48Å; L165-F175 VanDerWaalsContact CD2-CD1 3.48Å; L165-F175 HydrophobicContact CD2-CE1 3.64Å; L165-F175 HydrophobicContact CD2-CG 4.35Å; L165-F175 HydrophobicContact CG-CD1 4.19Å; L165-F175 HydrophobicContact CG-CE1 4.36Å; L168-F175 HydrophobicContact CD1-CE1 3.94Å; L168-F175 HydrophobicContact CD1-CZ 3.85Å; F170-F175 HydrophobicContact CE1-CE2 4.29Å; F170-F175 HydrophobicContact CE1-CZ 4.12Å; F170-F175 AromaticContact CZ-CE2 3.93Å; F170-F175 HydrophobicContact CZ-CE2 3.93Å; F170-F175 HydrophobicContact CZ-CZ 4.22Å; F175-L193 HydrophobicContact CD2-CD1 3.67Å; F175-L193 HydrophobicContact CE2-CD1 3.53Å; F175-S194 PolarHBondContact N-O 3.41Å; F175-L195 HydrophobicContact CB-CD2 3.95Å; F175-L195 HydrophobicContact CD2-CD2 3.68Å; F175-L195 HydrophobicContact CG-CD2 4.11Å; F175-E196 PolarHBondContact O-N 3.26Å
176	Q	98.8	Very high	98.6	Very high	54 Å²	54	37.4 Å²	37.4	25%	0.252	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.7	-170.2	-59.2	-167.4	-16.6	0	0	113.7	F156 E157 T158 M163 E174 E196	F156-Q176 PolarHBondContact O-N 2.88Å; E157-Q176 WeakPolarHBondContact CA-O 3.27Å; E157-Q176 HydrophobicContact CG-CB 4.36Å; T158-Q176 PolarHBondContact N-O 2.95Å; M163-Q176 VanDerWaalsContact CE-C 3.43Å; M163-Q176 WeakPolarHBondContact CE-O 3.36Å; E174-Q176 HydrophobicContact CG-CG 3.81Å; E174-Q176 PolarHBondContact OE1-NE2 3.26Å; Q176-E196 CarbonylContact C-O 3.59Å; Q176-E196 WeakPolarHBondContact CA-O 3.44Å; Q176-E196 HydrophobicContact CG-CB 4.3Å
177	T	98.7	Very high	98.6	Very high	7 Å²	7	35.8 Å²	35.8	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.4	166.4	178.1	0	0	0	0	115.3	T158 S159 G161 M163 N179 G180 I182 E196 T197	T158-T177 WeakPolarHBondContact O-CA 3.08Å; T158-T177 WeakPolarHBondContact O-CB 3.3Å; T158-T177 PolarHBondContact O-OG1 2.8Å; S159-T177 PolarHBondContact O-OG1 2.65Å; G161-T177 PolarHBondContact O-OG1 2.9Å; M163-T177 HydrophobicContact CG-CG2 4.48Å; T177-N179 PolarHBondContact O-N 2.71Å; T177-G180 WeakPolarHBondContact CG2-O 3.48Å; T177-G180 PolarHBondContact OG1-N 2.73Å; T177-G180 VanDerWaalsContact OG1-N 3.14Å; T177-I182 HydrophobicContact CG2-CD1 4.19Å; T177-I182 HydrophobicContact CG2-CG1 3.84Å; T177-E196 PolarHBondContact N-O 3.21Å; T177-T197 WeakPolarHBondContact O-CA 3.43Å; T177-T197 WeakPolarHBondContact O-CB 3.28Å; T177-T197 PolarHBondContact O-OG1 3.5Å
178	S	98.5	Very high	98.6	Very high	55 Å²	55	37.7 Å²	37.7	39%	0.385	19%	0.192	S	C	.	.	S	Bend	trans	-67.6	-40.1	-179.4	-42.8	0	0	0	0	113.1	S159 T197 S198 N199	S159-S178 WeakPolarHBondContact O-CA 3.06Å; S159-S178 WeakPolarHBondContact O-CB 3.47Å; S159-S178 PolarHBondContact O-N 2.83Å; S178-T197 PolarHBondContact O-OG1 3.14Å; S178-S198 WeakPolarHBondContact O-CA 3.3Å; S178-S198 WeakPolarHBondContact O-CB 3.44Å; S178-S198 PolarHBondContact O-N 3.22Å; S178-N199 PolarHBondContact O-N 2.72Å
179	N	98.2	Very high	98.6	Very high	64 Å²	64	37.6 Å²	37.6	34%	0.342	19%	0.191	S	C	.	.	S	Bend	trans	-125.2	-9.3	-170.6	-63.2	-55.9	0	0	0	115.3	S159 N160 T177 N199 S200	S159-N179 PolarHBondContact O-N 3.19Å; N160-N179 PolarHBondContact OD1-ND2 3.49Å; T177-N179 PolarHBondContact O-N 2.71Å; N179-N199 PolarHBondContact OD1-ND2 2.68Å; N179-S200 WeakPolarHBondContact O-CB 3.18Å; N179-S200 PolarHBondContact O-OG 2.85Å
180	G	98.3	Very high	98.6	Very high	5 Å²	5	40 Å²	40	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-86.3	148.9	-176	0	0	0	0	0	114.7	G161 T177 T197 S200	G161-G180 WeakPolarHBondContact O-CA 2.98Å; T177-G180 WeakPolarHBondContact CG2-O 3.48Å; T177-G180 PolarHBondContact OG1-N 2.73Å; T177-G180 VanDerWaalsContact OG1-N 3.14Å; G180-T197 PolarHBondContact O-OG1 3.39Å; G180-T197 VanDerWaalsContact O-OG1 3.11Å; G180-S200 VanDerWaalsContact O-CB 3.22Å; G180-S200 WeakPolarHBondContact O-CB 3.37Å
181	K	98.6	Very high	98.6	Very high	52 Å²	52	44.8 Å²	44.8	23%	0.226	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-67.2	137.7	168	-169.4	178.5	176	160.2	0	109.6	K162 M163 N183 E201	K162-K181 WeakPolarHBondContact CA-O 3.41Å; K162-K181 HydrophobicContact CG-CB 4.32Å; K162-K181 VanDerWaalsContact CG-O 3.27Å; K162-K181 WeakPolarHBondContact CG-O 3.13Å; M163-K181 PolarHBondContact N-O 3.37Å; K181-N183 VanDerWaalsContact CD-OD1 3.3Å; K181-N183 WeakPolarHBondContact CD-OD1 3.24Å; K181-N183 WeakPolarHBondContact CE-OD1 3.28Å; K181-N183 WeakPolarHBondContact CG-ND2 3.49Å; K181-N183 PolarHBondContact O-ND2 3.04Å; K181-E201 WeakPolarHBondContact CA-O 3.1Å; K181-E201 HydrophobicContact CD-CB 4.2Å; K181-E201 VanDerWaalsContact CE-CD 3.47Å; K181-E201 VanDerWaalsContact CE-OE2 3.32Å; K181-E201 WeakPolarHBondContact CE-OE2 3.14Å; K181-E201 HydrophobicContact CG-CB 4.07Å; K181-E201 WeakPolarHBondContact CG-O 3.32Å; K181-E201 IonicContact NZ-OE1 2.69Å; K181-E201 PolarHBondContact NZ-OE1 2.66Å; K181-E201 IonicContact NZ-OE2 2.64Å; K181-E201 PolarHBondContact NZ-OE2 3.11Å
182	I	98.9	Very high	98.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.8	169.1	-54.3	176.6	0	0	0	108.3	M163 L165 T177 L184 L195 E196 T197 E201 V202 N203	M163-I182 HydrophobicContact CB-CG1 4.3Å; M163-I182 HydrophobicContact CB-CG2 4.26Å; M163-I182 HydrophobicContact SD-CG1 4.49Å; L165-I182 HydrophobicContact CD1-CG2 3.95Å; L165-I182 HydrophobicContact CG-CG2 4.42Å; T177-I182 HydrophobicContact CG2-CD1 4.19Å; T177-I182 HydrophobicContact CG2-CG1 3.84Å; I182-L184 HydrophobicContact CG2-CD1 4.08Å; I182-L195 HydrophobicContact CD1-CB 4.48Å; I182-L195 HydrophobicContact CG2-CD2 4.12Å; I182-E196 WeakPolarHBondContact CD1-O 3.11Å; I182-T197 HydrophobicContact CD1-CG2 4.45Å; I182-E201 PolarHBondContact N-O 3.04Å; I182-V202 HydrophobicContact CB-CG1 4.27Å; I182-V202 HydrophobicContact CB-CG2 4.4Å; I182-V202 HydrophobicContact CD1-CG2 4.46Å; I182-N203 PolarHBondContact O-N 3.13Å
183	N	98.9	Very high	98.6	Very high	33 Å²	33	40.5 Å²	40.5	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.4	-174.7	-58.3	-108.1	0	0	0	109.1	K162 M163 L165 K181 N203	K162-N183 VanDerWaalsContact CE-CG 3.46Å; K162-N183 WeakPolarHBondContact CE-ND2 3.46Å; M163-N183 PolarHBondContact O-N 2.95Å; M163-N183 PolarHBondContact O-ND2 2.91Å; L165-N183 WeakPolarHBondContact CB-O 3.33Å; L165-N183 PolarHBondContact N-O 3.41Å; K181-N183 VanDerWaalsContact CD-OD1 3.3Å; K181-N183 WeakPolarHBondContact CD-OD1 3.24Å; K181-N183 WeakPolarHBondContact CE-OD1 3.28Å; K181-N183 WeakPolarHBondContact CG-ND2 3.49Å; K181-N183 PolarHBondContact O-ND2 3.04Å; N183-N203 CarbonylContact C-O 3.57Å; N183-N203 VanDerWaalsContact CA-O 3.24Å; N183-N203 WeakPolarHBondContact CA-O 3.22Å
184	L	98.8	Very high	98.6	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.047	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131.1	-175.7	-57.7	93.7	0	0	0	111.1	L165 I182 V187 L193 L195 V202 N203 G204 T205 I247	L165-L184 HydrophobicContact CD1-CD2 4.27Å; L165-L184 HydrophobicContact CD1-CG 4.19Å; L165-L184 CarbonylContact O-C 3.59Å; I182-L184 HydrophobicContact CG2-CD1 4.08Å; L184-V187 HydrophobicContact CB-CG2 4.02Å; L184-V187 HydrophobicContact CD2-CB 4.15Å; L184-V187 HydrophobicContact CD2-CG1 4.29Å; L184-V187 HydrophobicContact CD2-CG2 4.02Å; L184-V187 HydrophobicContact CG-CG2 4.35Å; L184-L193 HydrophobicContact CD2-CD2 4.26Å; L184-L195 HydrophobicContact CD1-CD1 3.92Å; L184-L195 HydrophobicContact CD2-CD1 3.54Å; L184-L195 HydrophobicContact CD2-CD2 3.96Å; L184-L195 HydrophobicContact CD2-CG 4.4Å; L184-L195 HydrophobicContact CG-CD1 4.38Å; L184-V202 HydrophobicContact CD1-CG1 4Å; L184-N203 WeakPolarHBondContact CD1-O 3.38Å; L184-N203 PolarHBondContact N-O 3.02Å; L184-G204 CarbonylContact O-C 3.58Å; L184-G204 WeakPolarHBondContact O-CA 2.88Å; L184-T205 PolarHBondContact O-N 2.86Å; L184-I247 HydrophobicContact CD1-CD1 3.79Å
185	M	98.5	Very high	98.6	Very high	114 Å²	114	37.7 Å²	37.7	56%	0.562	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.9	170.2	-170.2	175.5	-62	0	0	107.9	L165 S166 D167 V187	L165-M185 PolarHBondContact O-N 2.89Å; S166-M185 CarbonylContact C-O 3.53Å; S166-M185 VanDerWaalsContact CA-O 3.28Å; S166-M185 WeakPolarHBondContact CA-O 3.18Å; D167-M185 PolarHBondContact N-O 3Å; M185-V187 PolarHBondContact O-N 2.65Å
186	N	97.1	Very high	98.6	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.9	44.7	176	-57.3	-25.8	0	0	0	114	D167 L168 T205 I207	D167-N186 WeakPolarHBondContact CA-O 2.89Å; D167-N186 WeakPolarHBondContact OD1-CB 2.91Å; D167-N186 PolarHBondContact OD1-ND2 2.86Å; L168-N186 PolarHBondContact N-O 2.66Å; N186-T205 PolarHBondContact N-OG1 3.21Å; N186-I207 HydrophobicContact CB-CD1 3.83Å; N186-I207 HydrophobicContact CB-CG1 4.44Å
187	V	98.7	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.8	177.5	172.6	0	0	0	0	110.2	L165 L168 F170 L184 M185 L193 T205 I206 I207	L165-V187 HydrophobicContact CB-CG2 3.98Å; L168-V187 HydrophobicContact CB-CG2 4.38Å; L168-V187 HydrophobicContact CD1-CG2 4.42Å; L168-V187 HydrophobicContact CG-CG2 4.31Å; F170-V187 HydrophobicContact CE1-CG1 3.7Å; F170-V187 HydrophobicContact CZ-CG1 3.72Å; L184-V187 HydrophobicContact CB-CG2 4.02Å; L184-V187 HydrophobicContact CD2-CB 4.15Å; L184-V187 HydrophobicContact CD2-CG1 4.29Å; L184-V187 HydrophobicContact CD2-CG2 4.02Å; L184-V187 HydrophobicContact CG-CG2 4.35Å; M185-V187 PolarHBondContact O-N 2.65Å; V187-L193 HydrophobicContact CG1-CD2 3.91Å; V187-T205 PolarHBondContact N-O 3.43Å; V187-I206 CarbonylContact O-C 3.57Å; V187-I206 WeakPolarHBondContact O-CA 3.18Å; V187-I207 PolarHBondContact O-N 2.94Å
188	K	98.5	Very high	98.5	Very high	95 Å²	95	40.3 Å²	40.3	41%	0.413	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	83.6	-172.2	-170.1	-179.4	179.8	175.2	0	111.8	L168 N169 F170 I207	L168-K188 PolarHBondContact O-N 2.83Å; N169-K188 WeakPolarHBondContact CA-O 3.48Å; F170-K188 PolarHBondContact N-O 2.72Å; K188-I207 HydrophobicContact CB-CB 4.06Å; K188-I207 HydrophobicContact CB-CD1 4.31Å; K188-I207 HydrophobicContact CD-CG2 4.17Å; K188-I207 HydrophobicContact CG-CB 4.16Å; K188-I207 HydrophobicContact CG-CG2 4.2Å
189	P	98.5	Very high	98.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.8	169.5	31.2	-36.1	0	0	0	111.2	F170 S192 L193 I206 F213 K234	F170-P189 HydrophobicContact CD2-CB 4.25Å; F170-P189 HydrophobicContact CE2-CB 3.64Å; F170-P189 HydrophobicContact CZ-CB 4.1Å; F170-P189 CarbonylContact O-C 3.49Å; F170-P189 WeakPolarHBondContact O-CA 2.91Å; P189-S192 WeakPolarHBondContact CB-O 2.88Å; P189-L193 HydrophobicContact CB-CB 3.96Å; P189-L193 HydrophobicContact CG-CB 3.95Å; P189-L193 HydrophobicContact CG-CD2 4.2Å; P189-I206 HydrophobicContact CG-CG2 4.37Å; P189-F213 HydrophobicContact CG-CE1 3.62Å; P189-F213 HydrophobicContact CG-CZ 3.86Å; P189-K234 PolarHBondContact O-NZ 3.25Å
190	K	98.5	Very high	98.5	Very high	102 Å²	102	39.7 Å²	39.7	44%	0.443	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-34.1	170.3	-57.6	-171.3	-149.9	129	0	111.6	F170 N171 K234	F170-K190 WeakPolarHBondContact O-CG 3.31Å; F170-K190 PolarHBondContact O-N 2.89Å; N171-K190 WeakPolarHBondContact OD1-CD 3.28Å; N171-K190 PolarHBondContact OD1-NZ 2.93Å; K190-K234 VanDerWaalsContact O-CE 3.3Å; K190-K234 WeakPolarHBondContact O-CE 3.01Å; K190-K234 WeakPolarHBondContact O-CG 3.49Å
191	E	98.6	Very high	98.5	Very high	100 Å²	100	41.8 Å²	41.8	47%	0.467	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-63.4	-175.4	-55.8	-169.7	-168.6	0	0	111.5	N171 E172 K234 E235	N171-E191 HydrophobicContact CB-CG 4.14Å; N171-E191 CarbonylContact O-C 3.58Å; N171-E191 WeakPolarHBondContact O-CA 3.36Å; N171-E191 WeakPolarHBondContact O-CB 3.37Å; N171-E191 PolarHBondContact O-N 2.9Å; E172-E191 HydrophobicContact CG-CB 4.23Å; E191-K234 CarbonylContact O-C 3.52Å; E191-K234 WeakPolarHBondContact O-CA 3.35Å; E191-K234 WeakPolarHBondContact O-CB 3.47Å; E191-E235 PolarHBondContact O-N 2.95Å
192	S	98.6	Very high	98.5	Very high	24 Å²	24	39.3 Å²	39.3	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	151.4	-175.7	75.6	0	0	0	0	113.2	F170 N171 E172 G173 P189 E235	F170-S192 WeakPolarHBondContact CE2-O 3.29Å; N171-S192 PolarHBondContact O-N 3.07Å; E172-S192 WeakPolarHBondContact CA-OG 3.3Å; E172-S192 VanDerWaalsContact CB-OG 3.29Å; E172-S192 WeakPolarHBondContact CB-OG 3.07Å; E172-S192 WeakPolarHBondContact CG-OG 3.42Å; G173-S192 PolarHBondContact N-O 3.42Å; P189-S192 WeakPolarHBondContact CB-O 2.88Å; S192-E235 CarbonylContact C-O 3.55Å; S192-E235 WeakPolarHBondContact CA-O 3.4Å
193	L	98.9	Very high	98.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	117.7	170.1	172.9	52.9	0	0	0	109.8	F170 G173 F175 L184 V187 P189 L195 I206 E235 L236 E237	F170-L193 HydrophobicContact CE2-CB 4.48Å; F170-L193 HydrophobicContact CE2-CD1 4.28Å; F170-L193 HydrophobicContact CZ-CD1 3.86Å; G173-L193 WeakPolarHBondContact O-CA 3.48Å; F175-L193 HydrophobicContact CD2-CD1 3.67Å; F175-L193 HydrophobicContact CE2-CD1 3.53Å; L184-L193 HydrophobicContact CD2-CD2 4.26Å; V187-L193 HydrophobicContact CG1-CD2 3.91Å; P189-L193 HydrophobicContact CB-CB 3.96Å; P189-L193 HydrophobicContact CG-CB 3.95Å; P189-L193 HydrophobicContact CG-CD2 4.2Å; L193-L195 HydrophobicContact CD1-CD2 3.63Å; L193-L195 HydrophobicContact CD1-CG 3.9Å; L193-L195 HydrophobicContact CD2-CD1 4.24Å; L193-L195 HydrophobicContact CD2-CG 4.49Å; L193-L195 HydrophobicContact CG-CD1 4.26Å; L193-L195 HydrophobicContact CG-CD2 4.26Å; L193-L195 HydrophobicContact CG-CG 4.01Å; L193-I206 HydrophobicContact CD2-CD1 3.8Å; L193-I206 HydrophobicContact CD2-CG1 4.15Å; L193-E235 PolarHBondContact N-O 2.93Å; L193-L236 HydrophobicContact CB-CD1 4.02Å; L193-L236 HydrophobicContact CD2-CD1 3.94Å; L193-L236 HydrophobicContact CG-CD1 3.88Å; L193-L236 WeakPolarHBondContact O-CA 2.91Å; L193-E237 PolarHBondContact O-N 3.11Å
194	S	98.9	Very high	98.5	Very high	18 Å²	18	40.4 Å²	40.4	13%	0.126	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.8	173.1	-176.9	0	0	0	0	110.7	G173 F175 E237	G173-S194 PolarHBondContact O-N 2.94Å; F175-S194 PolarHBondContact N-O 3.41Å; S194-E237 CarbonylContact C-O 3.56Å; S194-E237 WeakPolarHBondContact CA-O 3.18Å
195	L	98.9	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	111.3	-179.8	-56.8	171	0	0	0	108.7	L165 F175 I182 L184 L193 V202 E237 V238 R239	L165-L195 HydrophobicContact CD1-CD2 4.16Å; F175-L195 HydrophobicContact CB-CD2 3.95Å; F175-L195 HydrophobicContact CD2-CD2 3.68Å; F175-L195 HydrophobicContact CG-CD2 4.11Å; I182-L195 HydrophobicContact CD1-CB 4.48Å; I182-L195 HydrophobicContact CG2-CD2 4.12Å; L184-L195 HydrophobicContact CD1-CD1 3.92Å; L184-L195 HydrophobicContact CD2-CD1 3.54Å; L184-L195 HydrophobicContact CD2-CD2 3.96Å; L184-L195 HydrophobicContact CD2-CG 4.4Å; L184-L195 HydrophobicContact CG-CD1 4.38Å; L193-L195 HydrophobicContact CD1-CD2 3.63Å; L193-L195 HydrophobicContact CD1-CG 3.9Å; L193-L195 HydrophobicContact CD2-CD1 4.24Å; L193-L195 HydrophobicContact CD2-CG 4.49Å; L193-L195 HydrophobicContact CG-CD1 4.26Å; L193-L195 HydrophobicContact CG-CD2 4.26Å; L193-L195 HydrophobicContact CG-CG 4.01Å; L195-V202 HydrophobicContact CB-CG1 4.09Å; L195-V202 HydrophobicContact CD1-CG1 3.85Å; L195-E237 PolarHBondContact N-O 2.97Å; L195-V238 HydrophobicContact CB-CG1 4.22Å; L195-V238 HydrophobicContact CB-CG2 4.41Å; L195-V238 HydrophobicContact CD1-CG2 4.02Å; L195-V238 CarbonylContact O-C 3.51Å; L195-V238 WeakPolarHBondContact O-CA 3.37Å; L195-R239 PolarHBondContact O-N 3.3Å
196	E	98.8	Very high	98.5	Very high	72 Å²	72	36.2 Å²	36.2	34%	0.336	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.4	-177.4	-174.6	160.1	163.7	0	0	112.3	F175 Q176 T177 I182 R239	F175-E196 PolarHBondContact O-N 3.26Å; Q176-E196 CarbonylContact C-O 3.59Å; Q176-E196 WeakPolarHBondContact CA-O 3.44Å; Q176-E196 HydrophobicContact CG-CB 4.3Å; T177-E196 PolarHBondContact N-O 3.21Å; I182-E196 WeakPolarHBondContact CD1-O 3.11Å; E196-R239 HydrophobicContact CG-CB 4.2Å
197	T	98.7	Very high	98.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	149.9	162.7	-179.5	0	0	0	0	113.8	T177 S178 G180 I182 S200 V202 R239 T240	T177-T197 WeakPolarHBondContact O-CA 3.43Å; T177-T197 WeakPolarHBondContact O-CB 3.28Å; T177-T197 PolarHBondContact O-OG1 3.5Å; S178-T197 PolarHBondContact O-OG1 3.14Å; G180-T197 PolarHBondContact O-OG1 3.39Å; G180-T197 VanDerWaalsContact O-OG1 3.11Å; I182-T197 HydrophobicContact CD1-CG2 4.45Å; T197-S200 WeakPolarHBondContact CG2-O 3.43Å; T197-V202 HydrophobicContact CG2-CG2 3.64Å; T197-R239 PolarHBondContact N-O 2.85Å; T197-T240 WeakPolarHBondContact O-CA 3.42Å; T197-T240 WeakPolarHBondContact O-CB 3.47Å; T197-T240 PolarHBondContact O-OG1 2.8Å
198	S	98.3	Very high	98.4	Very high	42 Å²	42	36.2 Å²	36.2	29%	0.294	19%	0.194	S	C	.	.	S	Bend	trans	-83.4	-43.2	-178.2	-47.6	0	0	0	0	113.4	S178 T240 S241 N242	S178-S198 WeakPolarHBondContact O-CA 3.3Å; S178-S198 WeakPolarHBondContact O-CB 3.44Å; S178-S198 PolarHBondContact O-N 3.22Å; S198-T240 PolarHBondContact O-OG1 2.74Å; S198-S241 WeakPolarHBondContact O-CA 3.48Å; S198-S241 VanDerWaalsContact O-CB 3.23Å; S198-S241 WeakPolarHBondContact O-CB 3.34Å; S198-S241 PolarHBondContact O-N 2.81Å; S198-N242 PolarHBondContact O-N 2.93Å; S198-N242 VanDerWaalsContact O-N 3.11Å
199	N	97.7	Very high	98.3	Very high	74 Å²	74	34.2 Å²	34.2	40%	0.396	19%	0.188	S	C	.	.	S	Bend	trans	-121.1	1.4	-162.2	-66.8	-47	0	0	0	115.8	S178 N179 N242	S178-N199 PolarHBondContact O-N 2.72Å; N179-N199 PolarHBondContact OD1-ND2 2.68Å; N199-N242 PolarHBondContact OD1-ND2 2.92Å
200	S	98.4	Very high	98.3	Very high	31 Å²	31	37.3 Å²	37.3	22%	0.217	20%	0.201	C	C	.	.	S	Bend	trans	-132.3	162.5	-173.9	-83.8	0	0	0	0	112.5	N179 G180 T197 T240 A243	N179-S200 WeakPolarHBondContact O-CB 3.18Å; N179-S200 PolarHBondContact O-OG 2.85Å; G180-S200 VanDerWaalsContact O-CB 3.22Å; G180-S200 WeakPolarHBondContact O-CB 3.37Å; T197-S200 WeakPolarHBondContact CG2-O 3.43Å; S200-T240 PolarHBondContact O-OG1 2.85Å; S200-A243 WeakPolarHBondContact O-CB 3.32Å
201	E	98.5	Very high	98.2	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.234	21%	0.21	C	C	.	.			trans	-67.5	147.4	-174.7	-171.4	-168.9	147.4	0	0	111.7	K181 I182 N203 A243 D244	K181-E201 WeakPolarHBondContact CA-O 3.1Å; K181-E201 HydrophobicContact CD-CB 4.2Å; K181-E201 VanDerWaalsContact CE-CD 3.47Å; K181-E201 VanDerWaalsContact CE-OE2 3.32Å; K181-E201 WeakPolarHBondContact CE-OE2 3.14Å; K181-E201 HydrophobicContact CG-CB 4.07Å; K181-E201 WeakPolarHBondContact CG-O 3.32Å; K181-E201 IonicContact NZ-OE1 2.69Å; K181-E201 PolarHBondContact NZ-OE1 2.66Å; K181-E201 IonicContact NZ-OE2 2.64Å; K181-E201 PolarHBondContact NZ-OE2 3.11Å; I182-E201 PolarHBondContact N-O 3.04Å; E201-N203 HydrophobicContact CG-CB 4.05Å; E201-N203 WeakPolarHBondContact OE1-CB 3.33Å; E201-N203 VanDerWaalsContact OE1-CG 3.3Å; E201-N203 PolarHBondContact OE1-ND2 3.43Å; E201-A243 HydrophobicContact CB-CB 4.38Å; E201-D244 WeakPolarHBondContact CA-O 3.34Å; E201-D244 HydrophobicContact CG-CB 4.27Å; E201-D244 WeakPolarHBondContact CG-O 3.33Å
202	V	98.8	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.7	166.1	-174.8	0	0	0	0	107.4	I182 L184 L195 T197 V238 D244 I245 E246 I247	I182-V202 HydrophobicContact CB-CG1 4.27Å; I182-V202 HydrophobicContact CB-CG2 4.4Å; I182-V202 HydrophobicContact CD1-CG2 4.46Å; L184-V202 HydrophobicContact CD1-CG1 4Å; L195-V202 HydrophobicContact CB-CG1 4.09Å; L195-V202 HydrophobicContact CD1-CG1 3.85Å; T197-V202 HydrophobicContact CG2-CG2 3.64Å; V202-V238 HydrophobicContact CB-CG1 3.92Å; V202-V238 HydrophobicContact CG1-CG1 3.69Å; V202-V238 HydrophobicContact CG2-CG1 4.21Å; V202-D244 PolarHBondContact N-O 3.14Å; V202-I245 WeakPolarHBondContact O-CA 3.44Å; V202-E246 PolarHBondContact O-N 2.61Å; V202-I247 HydrophobicContact CG1-CD1 4.23Å
203	N	98.6	Very high	98.1	Very high	45 Å²	45	35.7 Å²	35.7	24%	0.241	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.8	-170.7	178.2	-8	0	0	0	112.3	I182 N183 L184 E201 E246	I182-N203 PolarHBondContact O-N 3.13Å; N183-N203 CarbonylContact C-O 3.57Å; N183-N203 VanDerWaalsContact CA-O 3.24Å; N183-N203 WeakPolarHBondContact CA-O 3.22Å; L184-N203 WeakPolarHBondContact CD1-O 3.38Å; L184-N203 PolarHBondContact N-O 3.02Å; E201-N203 HydrophobicContact CG-CB 4.05Å; E201-N203 WeakPolarHBondContact OE1-CB 3.33Å; E201-N203 VanDerWaalsContact OE1-CG 3.3Å; E201-N203 PolarHBondContact OE1-ND2 3.43Å; N203-E246 VanDerWaalsContact CA-O 3.22Å; N203-E246 WeakPolarHBondContact CA-O 3.37Å; N203-E246 HydrophobicContact CB-CB 4.47Å; N203-E246 PolarHBondContact OD1-O 2.72Å
204	G	98.4	Very high	98.1	Very high	11 Å²	11	36.9 Å²	36.9	11%	0.113	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.3	-149.9	166.7	0	0	0	0	0	114.4	L184 E246 I247 A248	L184-G204 CarbonylContact O-C 3.58Å; L184-G204 WeakPolarHBondContact O-CA 2.88Å; G204-E246 PolarHBondContact N-O 3.42Å; G204-I247 WeakPolarHBondContact O-CA 3.1Å; G204-A248 PolarHBondContact O-N 3Å
205	T	98.3	Very high	98.1	Very high	34 Å²	34	36.1 Å²	36.1	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	136	-174.4	52.7	0	0	0	0	112.7	L184 N186 V187 A248 V250	L184-T205 PolarHBondContact O-N 2.86Å; N186-T205 PolarHBondContact N-OG1 3.21Å; V187-T205 PolarHBondContact N-O 3.43Å; T205-A248 CarbonylContact C-O 3.6Å; T205-A248 VanDerWaalsContact CA-O 3.28Å; T205-A248 WeakPolarHBondContact CA-O 3.49Å; T205-A248 HydrophobicContact CG2-CB 4.39Å; T205-V250 HydrophobicContact CG2-CG1 3.79Å
206	I	98.7	Very high	98.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	133.8	170.2	-62.3	174.2	0	0	0	108.2	V187 P189 L193 F213 L236 I247 A248 F249 V250	V187-I206 CarbonylContact O-C 3.57Å; V187-I206 WeakPolarHBondContact O-CA 3.18Å; P189-I206 HydrophobicContact CG-CG2 4.37Å; L193-I206 HydrophobicContact CD2-CD1 3.8Å; L193-I206 HydrophobicContact CD2-CG1 4.15Å; I206-F213 HydrophobicContact CG2-CE2 4.27Å; I206-F213 HydrophobicContact CG2-CZ 3.83Å; I206-L236 HydrophobicContact CD1-CD1 3.8Å; I206-L236 HydrophobicContact CD1-CD2 3.75Å; I206-L236 HydrophobicContact CD1-CG 4.46Å; I206-I247 HydrophobicContact CD1-CG2 3.65Å; I206-I247 HydrophobicContact CG1-CG2 3.93Å; I206-A248 PolarHBondContact N-O 3.05Å; I206-F249 HydrophobicContact CB-CD1 4.06Å; I206-F249 HydrophobicContact CB-CE1 4.06Å; I206-F249 HydrophobicContact CD1-CE1 4.29Å; I206-F249 HydrophobicContact CD1-CZ 4.44Å; I206-F249 HydrophobicContact CG2-CD1 4.11Å; I206-F249 HydrophobicContact CG2-CE1 3.97Å; I206-F249 CarbonylContact O-C 3.45Å; I206-F249 VanDerWaalsContact O-CA 3.31Å; I206-F249 WeakPolarHBondContact O-CA 3.27Å; I206-V250 PolarHBondContact O-N 3.44Å
207	I	98.3	Very high	98.1	Very high	40 Å²	40	36.3 Å²	36.3	21%	0.205	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.9	175.3	-64.3	172.4	0	0	0	109.7	N186 V187 K188 V250	N186-I207 HydrophobicContact CB-CD1 3.83Å; N186-I207 HydrophobicContact CB-CG1 4.44Å; V187-I207 PolarHBondContact O-N 2.94Å; K188-I207 HydrophobicContact CB-CB 4.06Å; K188-I207 HydrophobicContact CB-CD1 4.31Å; K188-I207 HydrophobicContact CD-CG2 4.17Å; K188-I207 HydrophobicContact CG-CB 4.16Å; K188-I207 HydrophobicContact CG-CG2 4.2Å; I207-V250 CarbonylContact C-O 3.51Å; I207-V250 WeakPolarHBondContact CA-O 3.25Å; I207-V250 HydrophobicContact CG1-CG2 4.07Å
208	G	96.4	Very high	98.1	Very high	18 Å²	18	42.5 Å²	42.5	19%	0.186	23%	0.231	C	C	.	.	S	Bend	trans	136.1	-173.2	178.7	0	0	0	0	0	112.3	V250	G208-V250 PolarHBondContact N-O 2.96Å
209	N	96.6	Very high	98.1	Very high	53 Å²	53	41.6 Å²	41.6	28%	0.283	22%	0.223	S	C	.	.			trans	-97.8	144.2	171.7	-52.2	-74.2	0	0	0	109.3	E211 D212 F213 R251	N209-E211 WeakPolarHBondContact CB-OE2 3.37Å; N209-E211 PolarHBondContact O-N 2.89Å; N209-D212 PolarHBondContact N-OD2 2.89Å; N209-D212 PolarHBondContact ND2-OD2 2.87Å; N209-D212 WeakPolarHBondContact O-CB 3.01Å; N209-D212 PolarHBondContact O-N 3.03Å; N209-D212 VanDerWaalsContact O-N 3.14Å; N209-F213 VanDerWaalsContact O-CD2 3.28Å; N209-F213 WeakPolarHBondContact O-CD2 3.22Å; N209-F213 WeakPolarHBondContact O-CE2 3.36Å; N209-R251 PolarHBondContact OD1-NE 3.37Å; N209-R251 PolarHBondContact OD1-NH2 3.23Å
210	K	96.9	Very high	98	Very high	65 Å²	65	41.6 Å²	41.6	28%	0.283	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-58.4	-34.2	179.1	-176.9	173.2	179.9	176.1	0	111.6	D212 F213 I215 L226 Q229 F249	K210-D212 PolarHBondContact O-N 3.41Å; K210-F213 PolarHBondContact O-N 2.66Å; K210-I215 HydrophobicContact CD-CD1 4.44Å; K210-I215 HydrophobicContact CG-CD1 3.81Å; K210-L226 VanDerWaalsContact CE-O 3.26Å; K210-L226 WeakPolarHBondContact CE-O 3.47Å; K210-L226 PolarHBondContact NZ-O 2.92Å; K210-Q229 PolarHBondContact O-NE2 3.41Å; K210-F249 HydrophobicContact CB-CD1 4.37Å; K210-F249 HydrophobicContact CB-CD2 3.61Å; K210-F249 HydrophobicContact CB-CE1 4.49Å; K210-F249 HydrophobicContact CB-CE2 3.75Å; K210-F249 HydrophobicContact CB-CG 3.94Å; K210-F249 HydrophobicContact CB-CZ 4.19Å; K210-F249 HydrophobicContact CD-CD2 4.2Å; K210-F249 HydrophobicContact CD-CE2 3.96Å; K210-F249 HydrophobicContact CG-CD2 3.92Å; K210-F249 HydrophobicContact CG-CE2 3.56Å; K210-F249 HydrophobicContact CG-CZ 4.03Å
211	E	96.5	Very high	97.9	Very high	134 Å²	134	46 Å²	46	63%	0.626	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-65.4	-21	-178	-62.8	71	-154.8	0	0	113.1	N209 F213	N209-E211 WeakPolarHBondContact CB-OE2 3.37Å; N209-E211 PolarHBondContact O-N 2.89Å; E211-F213 PolarHBondContact O-N 2.82Å
212	D	97.9	Very high	97.9	Very high	58 Å²	58	45.5 Å²	45.5	31%	0.31	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-72.4	-13.6	177.6	-58.5	-33	0	0	0	111.9	N209 K210 G232 S233 K234	N209-D212 PolarHBondContact N-OD2 2.89Å; N209-D212 PolarHBondContact ND2-OD2 2.87Å; N209-D212 WeakPolarHBondContact O-CB 3.01Å; N209-D212 PolarHBondContact O-N 3.03Å; N209-D212 VanDerWaalsContact O-N 3.14Å; K210-D212 PolarHBondContact O-N 3.41Å; D212-G232 CarbonylContact O-C 3.6Å; D212-G232 WeakPolarHBondContact O-CA 3.48Å; D212-S233 PolarHBondContact O-N 2.85Å; D212-K234 WeakPolarHBondContact O-CB 3.02Å; D212-K234 PolarHBondContact O-N 2.84Å
213	F	98.3	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131	-172.3	-63.5	-91.7	0	0	0	113.4	P189 I206 N209 K210 E211 I215 Q229 K234 L236 F249	P189-F213 HydrophobicContact CG-CE1 3.62Å; P189-F213 HydrophobicContact CG-CZ 3.86Å; I206-F213 HydrophobicContact CG2-CE2 4.27Å; I206-F213 HydrophobicContact CG2-CZ 3.83Å; N209-F213 VanDerWaalsContact O-CD2 3.28Å; N209-F213 WeakPolarHBondContact O-CD2 3.22Å; N209-F213 WeakPolarHBondContact O-CE2 3.36Å; K210-F213 PolarHBondContact O-N 2.66Å; E211-F213 PolarHBondContact O-N 2.82Å; F213-I215 HydrophobicContact CB-CD1 4.26Å; F213-I215 HydrophobicContact CB-CG1 3.74Å; F213-Q229 WeakPolarHBondContact O-CG 2.88Å; F213-Q229 PolarHBondContact O-NE2 2.84Å; F213-K234 CarbonylContact C-O 3.59Å; F213-K234 WeakPolarHBondContact CA-O 2.94Å; F213-K234 HydrophobicContact CD1-CB 3.59Å; F213-K234 HydrophobicContact CD1-CD 4.27Å; F213-K234 HydrophobicContact CE1-CB 3.82Å; F213-K234 HydrophobicContact CE1-CD 3.75Å; F213-K234 HydrophobicContact CE1-CG 4.48Å; F213-K234 HydrophobicContact CE2-CD 4.4Å; F213-K234 HydrophobicContact CG-CB 4.24Å; F213-K234 HydrophobicContact CZ-CD 3.83Å; F213-L236 HydrophobicContact CB-CB 4.16Å; F213-L236 HydrophobicContact CD1-CB 3.79Å; F213-L236 HydrophobicContact CG-CB 4.27Å; F213-F249 HydrophobicContact CD2-CD1 4.27Å; F213-F249 AromaticContact CD2-CE1 3.48Å; F213-F249 HydrophobicContact CD2-CE1 3.48Å; F213-F249 VanDerWaalsContact CD2-CE1 3.48Å; F213-F249 HydrophobicContact CD2-CZ 4.2Å; F213-F249 HydrophobicContact CE2-CD1 4.03Å; F213-F249 AromaticContact CE2-CE1 3.51Å; F213-F249 HydrophobicContact CE2-CE1 3.51Å; F213-F249 HydrophobicContact CG-CE1 4.25Å; F213-F249 HydrophobicContact CZ-CE1 4.28Å
214	S	98.6	Very high	97.8	Very high	28 Å²	28	49.3 Å²	49.3	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	112.9	155.2	-73.6	0	0	0	0	108	Q229 K230 N231 G232 K234 L236	S214-Q229 CarbonylContact C-O 3.6Å; S214-Q229 WeakPolarHBondContact CA-O 3.38Å; S214-K230 PolarHBondContact OG-O 3.05Å; S214-N231 PolarHBondContact OG-N 3.17Å; S214-G232 PolarHBondContact OG-N 2.92Å; S214-G232 PolarHBondContact OG-O 2.8Å; S214-K234 PolarHBondContact N-O 2.67Å; S214-L236 PolarHBondContact O-N 3.16Å
215	I	98.7	Very high	97.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	124.6	-169.1	-53	177.2	0	0	0	109.8	K210 F213 L226 G227 N228 Q229 L236 F249	K210-I215 HydrophobicContact CD-CD1 4.44Å; K210-I215 HydrophobicContact CG-CD1 3.81Å; F213-I215 HydrophobicContact CB-CD1 4.26Å; F213-I215 HydrophobicContact CB-CG1 3.74Å; I215-L226 HydrophobicContact CD1-CD2 4.49Å; I215-L226 HydrophobicContact CG2-CB 4.15Å; I215-L226 HydrophobicContact CG2-CD1 4.34Å; I215-G227 WeakPolarHBondContact CG2-O 3.31Å; I215-N228 CarbonylContact O-C 3.38Å; I215-N228 VanDerWaalsContact O-CA 3.25Å; I215-N228 WeakPolarHBondContact O-CA 3.41Å; I215-Q229 HydrophobicContact CB-CG 4.08Å; I215-Q229 HydrophobicContact CD1-CG 4.23Å; I215-Q229 HydrophobicContact CG1-CG 3.97Å; I215-Q229 PolarHBondContact N-O 2.73Å; I215-Q229 PolarHBondContact O-N 3.17Å; I215-L236 CarbonylContact C-O 3.57Å; I215-L236 WeakPolarHBondContact CA-O 3.23Å; I215-L236 HydrophobicContact CD1-CD2 4.32Å; I215-L236 HydrophobicContact CG1-CB 4.26Å; I215-L236 HydrophobicContact CG1-CD2 4.19Å; I215-L236 HydrophobicContact CG2-CD2 4.31Å; I215-L236 HydrophobicContact CG2-CG 4.41Å; I215-F249 HydrophobicContact CD1-CZ 4.24Å
216	T	98.7	Very high	97.7	Very high	72 Å²	72	51.1 Å²	51.1	44%	0.442	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	106.1	163.4	-61.6	0	0	0	0	108.1	N228 L236 E237 V238	T216-N228 WeakPolarHBondContact CA-OD1 3.33Å; T216-L236 PolarHBondContact N-O 2.76Å; T216-E237 CarbonylContact O-C 3.41Å; T216-E237 VanDerWaalsContact O-CA 3.3Å; T216-E237 WeakPolarHBondContact O-CA 3.41Å; T216-V238 PolarHBondContact O-N 3.27Å
217	S	98.4	Very high	97.4	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138	177.7	72.1	0	0	0	0	112.3	N224 L226 G227 N228 V238	S217-N224 WeakPolarHBondContact CB-ND2 3.41Å; S217-N224 PolarHBondContact O-ND2 2.78Å; S217-N224 PolarHBondContact OG-ND2 2.87Å; S217-N224 PolarHBondContact OG-OD1 3.02Å; S217-L226 WeakPolarHBondContact OG-CB 3.36Å; S217-G227 PolarHBondContact OG-N 2.74Å; S217-G227 PolarHBondContact OG-O 3.17Å; S217-N228 PolarHBondContact N-OD1 3.31Å; S217-N228 PolarHBondContact O-OD1 2.98Å; S217-V238 CarbonylContact C-O 3.6Å; S217-V238 WeakPolarHBondContact CA-O 3.45Å
218	K	98.4	Very high	97.4	Very high	133 Å²	133	56.2 Å²	56.2	58%	0.578	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.8	132.9	-178	-171.2	176.3	178.6	-176.2	0	112.2	V238 R239 T240 I245	K218-V238 PolarHBondContact N-O 2.91Å; K218-R239 WeakPolarHBondContact O-CA 3.41Å; K218-T240 PolarHBondContact O-N 3.27Å; K218-I245 WeakPolarHBondContact O-CD1 3.45Å
219	T	98.2	Very high	97.4	Very high	22 Å²	22	58.6 Å²	58.6	14%	0.135	33%	0.328	C	S	.	.			trans	-131.4	149.6	158.8	-173.4	0	0	0	0	109	A222 S223 N224 T240 S241 A243	T219-A222 VanDerWaalsContact CG2-C 3.48Å; T219-A222 HydrophobicContact CG2-CB 4.12Å; T219-A222 WeakPolarHBondContact CG2-O 3.3Å; T219-S223 WeakPolarHBondContact CG2-O 3.34Å; T219-N224 HydrophobicContact CG2-CB 4.02Å; T219-T240 VanDerWaalsContact CA-O 3.27Å; T219-T240 WeakPolarHBondContact CA-O 3.46Å; T219-T240 WeakPolarHBondContact OG1-CG2 3.45Å; T219-S241 PolarHBondContact OG1-O 2.96Å; T219-A243 WeakPolarHBondContact CB-O 3.37Å; T219-A243 PolarHBondContact OG1-O 2.69Å
220	S	97.3	Very high	97.3	Very high	74 Å²	74	65.1 Å²	65.1	52%	0.517	35%	0.354	S	S	.	.	S	Bend	trans	-92.6	-40.7	-175	-58.7	0	0	0	0	112.4	S241	S220-S241 WeakPolarHBondContact CA-O 3.18Å; S220-S241 WeakPolarHBondContact CB-O 3.26Å; S220-S241 PolarHBondContact N-O 2.74Å
221	N	96	Very high	97.1	Very high	124 Å²	124	69.6 Å²	69.6	66%	0.663	38%	0.381	S	S	*	.	S	Bend	trans	-122.7	19	-168.2	-62.7	-49.9	0	0	0	113.6	S241 N242	N221-S241 PolarHBondContact N-O 2.76Å; N221-N242 PolarHBondContact ND2-OD1 2.64Å
222	A	97.2	Very high	97.1	Very high	39 Å²	39	64 Å²	64	32%	0.322	36%	0.359	S	S	.	.	S	Bend	trans	-150	-175.3	-173.4	0	0	0	0	0	111.8	T219 A243 D244	T219-A222 VanDerWaalsContact CG2-C 3.48Å; T219-A222 HydrophobicContact CG2-CB 4.12Å; T219-A222 WeakPolarHBondContact CG2-O 3.3Å; A222-A243 WeakPolarHBondContact CB-O 3.41Å; A222-D244 WeakPolarHBondContact CB-OD1 3.45Å
223	S	98	Very high	97	Very high	72 Å²	72	66.6 Å²	66.6	50%	0.503	38%	0.382	S	S	.	.			trans	-88.2	154.6	-178.1	73.5	0	0	0	0	112.6	T219 D244 I245	T219-S223 WeakPolarHBondContact CG2-O 3.34Å; S223-D244 WeakPolarHBondContact CA-OD1 3.18Å; S223-D244 WeakPolarHBondContact CB-OD1 3.35Å; S223-D244 PolarHBondContact N-OD1 2.8Å; S223-D244 VanDerWaalsContact O-CA 3.31Å; S223-D244 WeakPolarHBondContact O-CA 3.49Å; S223-D244 PolarHBondContact OG-OD1 2.72Å; S223-I245 PolarHBondContact O-N 2.98Å
224	N	98.3	Very high	97	Very high	54 Å²	54	68.4 Å²	68.4	29%	0.289	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-143.8	118.3	179.1	173	-0.1	0	0	0	109.7	S217 T219 L226 I245	S217-N224 WeakPolarHBondContact CB-ND2 3.41Å; S217-N224 PolarHBondContact O-ND2 2.78Å; S217-N224 PolarHBondContact OG-ND2 2.87Å; S217-N224 PolarHBondContact OG-OD1 3.02Å; T219-N224 HydrophobicContact CG2-CB 4.02Å; N224-L226 WeakPolarHBondContact OD1-CB 3.38Å; N224-L226 PolarHBondContact OD1-N 2.9Å; N224-I245 HydrophobicContact CB-CB 4.29Å
225	N	98.1	Very high	97	Very high	78 Å²	78	73.5 Å²	73.5	42%	0.417	41%	0.41	S	S	.	.	S	Bend	trans	-91.5	-8.4	-177.7	80.2	-19.8	0	0	0	114.7	I245 I247	N225-I245 PolarHBondContact N-O 3.41Å; N225-I245 PolarHBondContact OD1-O 3.24Å; N225-I247 PolarHBondContact ND2-N 2.78Å; N225-I247 PolarHBondContact ND2-O 2.95Å; N225-I247 PolarHBondContact OD1-N 2.77Å; N225-I247 PolarHBondContact OD1-O 2.75Å
226	L	96.2	Very high	97.1	Very high	5 Å²	5	73.5 Å²	73.5	3%	0.026	41%	0.41	C	S	.	.	S	Bend	trans	-80.1	-45.6	-177.1	-79.1	178.8	0	0	0	111.9	K210 I215 S217 N224 L236 V238 I245 I247 F249	K210-L226 VanDerWaalsContact CE-O 3.26Å; K210-L226 WeakPolarHBondContact CE-O 3.47Å; K210-L226 PolarHBondContact NZ-O 2.92Å; I215-L226 HydrophobicContact CD1-CD2 4.49Å; I215-L226 HydrophobicContact CG2-CB 4.15Å; I215-L226 HydrophobicContact CG2-CD1 4.34Å; S217-L226 WeakPolarHBondContact OG-CB 3.36Å; N224-L226 WeakPolarHBondContact OD1-CB 3.38Å; N224-L226 PolarHBondContact OD1-N 2.9Å; L226-L236 HydrophobicContact CD1-CD2 4.18Å; L226-L236 HydrophobicContact CD2-CD2 4.29Å; L226-V238 HydrophobicContact CD1-CB 3.94Å; L226-V238 HydrophobicContact CD1-CG1 4.5Å; L226-V238 HydrophobicContact CD1-CG2 3.55Å; L226-I245 HydrophobicContact CD1-CG2 3.81Å; L226-I245 HydrophobicContact CG-CG2 4.15Å; L226-I247 HydrophobicContact CD1-CB 4.09Å; L226-I247 HydrophobicContact CD1-CG1 4.03Å; L226-I247 HydrophobicContact CD2-CB 3.77Å; L226-I247 HydrophobicContact CD2-CG2 3.94Å; L226-I247 HydrophobicContact CG-CB 3.95Å; L226-I247 HydrophobicContact CG-CG1 4.37Å; L226-F249 HydrophobicContact CD2-CE2 3.66Å; L226-F249 HydrophobicContact CD2-CZ 4.14Å
227	G	93.2	Very high	97.1	Very high	33 Å²	33	73 Å²	73	34%	0.34	40%	0.403	S	S	.	.			trans	67.3	-170.1	-167.5	0	0	0	0	0	112.3	I215 S217	I215-G227 WeakPolarHBondContact CG2-O 3.31Å; S217-G227 PolarHBondContact OG-N 2.74Å; S217-G227 PolarHBondContact OG-O 3.17Å
228	N	97.1	Very high	97.1	Very high	114 Å²	114	72.8 Å²	72.8	61%	0.61	40%	0.402	S	S	*	.			trans	-120.8	141.4	-179.9	-66.5	-50	0	0	0	111.1	I215 T216 S217	I215-N228 CarbonylContact O-C 3.38Å; I215-N228 VanDerWaalsContact O-CA 3.25Å; I215-N228 WeakPolarHBondContact O-CA 3.41Å; T216-N228 WeakPolarHBondContact CA-OD1 3.33Å; S217-N228 PolarHBondContact N-OD1 3.31Å; S217-N228 PolarHBondContact O-OD1 2.98Å
229	Q	96.3	Very high	97.1	Very high	68 Å²	68	71.6 Å²	71.6	32%	0.318	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-155.3	155.6	173.1	67.4	-173.8	2.6	0	0	111.4	K210 F213 S214 I215	K210-Q229 PolarHBondContact O-NE2 3.41Å; F213-Q229 WeakPolarHBondContact O-CG 2.88Å; F213-Q229 PolarHBondContact O-NE2 2.84Å; S214-Q229 CarbonylContact C-O 3.6Å; S214-Q229 WeakPolarHBondContact CA-O 3.38Å; I215-Q229 HydrophobicContact CB-CG 4.08Å; I215-Q229 HydrophobicContact CD1-CG 4.23Å; I215-Q229 HydrophobicContact CG1-CG 3.97Å; I215-Q229 PolarHBondContact N-O 2.73Å; I215-Q229 PolarHBondContact O-N 3.17Å
230	K	94.1	Very high	97.1	Very high	189 Å²	189	70.9 Å²	70.9	82%	0.822	39%	0.389	S	S	*	.	S	Bend	trans	-122.3	8.9	-169.8	-64.9	-169.2	174.9	-170.8	0	115.7	S214	S214-K230 PolarHBondContact OG-O 3.05Å
231	N	93.1	Very high	97.1	Very high	160 Å²	160	69.6 Å²	69.6	86%	0.856	38%	0.38	S	S	*	.			trans	-109.7	3.5	-166.5	-63.5	-10.3	0	0	0	114.1	S214	S214-N231 PolarHBondContact OG-N 3.17Å
232	G	96.2	Very high	97.2	Very high	16 Å²	16	67.5 Å²	67.5	17%	0.165	37%	0.369	C	S	.	.			trans	-88	153.1	177.8	0	0	0	0	0	112.2	D212 S214 K234	D212-G232 CarbonylContact O-C 3.6Å; D212-G232 WeakPolarHBondContact O-CA 3.48Å; S214-G232 PolarHBondContact OG-N 2.92Å; S214-G232 PolarHBondContact OG-O 2.8Å; G232-K234 VanDerWaalsContact C-N 3.33Å
233	S	97.5	Very high	97.2	Very high	112 Å²	112	66.4 Å²	66.4	78%	0.783	36%	0.36	S	S	*	.	S	Bend	trans	-79.7	-16.2	178.4	59.5	0	0	0	0	113.6	D212	D212-S233 PolarHBondContact O-N 2.85Å
234	K	98.4	Very high	97.3	Very high	38 Å²	38	66 Å²	66	17%	0.165	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	156.3	175.5	-56.8	-175.8	-178.7	-174.9	0	110.4	P189 K190 E191 D212 F213 S214 G232	P189-K234 PolarHBondContact O-NZ 3.25Å; K190-K234 VanDerWaalsContact O-CE 3.3Å; K190-K234 WeakPolarHBondContact O-CE 3.01Å; K190-K234 WeakPolarHBondContact O-CG 3.49Å; E191-K234 CarbonylContact O-C 3.52Å; E191-K234 WeakPolarHBondContact O-CA 3.35Å; E191-K234 WeakPolarHBondContact O-CB 3.47Å; D212-K234 WeakPolarHBondContact O-CB 3.02Å; D212-K234 PolarHBondContact O-N 2.84Å; F213-K234 CarbonylContact C-O 3.59Å; F213-K234 WeakPolarHBondContact CA-O 2.94Å; F213-K234 HydrophobicContact CD1-CB 3.59Å; F213-K234 HydrophobicContact CD1-CD 4.27Å; F213-K234 HydrophobicContact CE1-CB 3.82Å; F213-K234 HydrophobicContact CE1-CD 3.75Å; F213-K234 HydrophobicContact CE1-CG 4.48Å; F213-K234 HydrophobicContact CE2-CD 4.4Å; F213-K234 HydrophobicContact CG-CB 4.24Å; F213-K234 HydrophobicContact CZ-CD 3.83Å; S214-K234 PolarHBondContact N-O 2.67Å; G232-K234 VanDerWaalsContact C-N 3.33Å
235	E	98.6	Very high	97.3	Very high	136 Å²	136	63.5 Å²	63.5	64%	0.636	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.7	176.2	-60.5	-171.5	167.6	0	0	110.7	E191 S192 L193	E191-E235 PolarHBondContact O-N 2.95Å; S192-E235 CarbonylContact C-O 3.55Å; S192-E235 WeakPolarHBondContact CA-O 3.4Å; L193-E235 PolarHBondContact N-O 2.93Å
236	L	98.8	Very high	97.3	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112.5	171.2	174.1	60.7	0	0	0	109	L193 I206 F213 S214 I215 T216 L226 V238 F249	L193-L236 HydrophobicContact CB-CD1 4.02Å; L193-L236 HydrophobicContact CD2-CD1 3.94Å; L193-L236 HydrophobicContact CG-CD1 3.88Å; L193-L236 WeakPolarHBondContact O-CA 2.91Å; I206-L236 HydrophobicContact CD1-CD1 3.8Å; I206-L236 HydrophobicContact CD1-CD2 3.75Å; I206-L236 HydrophobicContact CD1-CG 4.46Å; F213-L236 HydrophobicContact CB-CB 4.16Å; F213-L236 HydrophobicContact CD1-CB 3.79Å; F213-L236 HydrophobicContact CG-CB 4.27Å; S214-L236 PolarHBondContact O-N 3.16Å; I215-L236 CarbonylContact C-O 3.57Å; I215-L236 WeakPolarHBondContact CA-O 3.23Å; I215-L236 HydrophobicContact CD1-CD2 4.32Å; I215-L236 HydrophobicContact CG1-CB 4.26Å; I215-L236 HydrophobicContact CG1-CD2 4.19Å; I215-L236 HydrophobicContact CG2-CD2 4.31Å; I215-L236 HydrophobicContact CG2-CG 4.41Å; T216-L236 PolarHBondContact N-O 2.76Å; L226-L236 HydrophobicContact CD1-CD2 4.18Å; L226-L236 HydrophobicContact CD2-CD2 4.29Å; L236-V238 HydrophobicContact CD1-CG2 3.63Å; L236-V238 HydrophobicContact CD2-CG2 4.48Å; L236-V238 HydrophobicContact CG-CG2 3.93Å; L236-F249 HydrophobicContact CD2-CE1 4.41Å; L236-F249 HydrophobicContact CD2-CZ 3.76Å
237	E	98.7	Very high	97.4	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.28	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	124.1	173.6	177.3	142.5	-128.8	0	0	110.1	L193 S194 L195 T216 R239	L193-E237 PolarHBondContact O-N 3.11Å; S194-E237 CarbonylContact C-O 3.56Å; S194-E237 WeakPolarHBondContact CA-O 3.18Å; L195-E237 PolarHBondContact N-O 2.97Å; T216-E237 CarbonylContact O-C 3.41Å; T216-E237 VanDerWaalsContact O-CA 3.3Å; T216-E237 WeakPolarHBondContact O-CA 3.41Å; E237-R239 HydrophobicContact CG-CG 4.25Å; E237-R239 IonicContact OE1-CZ 2.92Å; E237-R239 IonicContact OE1-NE 2.72Å; E237-R239 PolarHBondContact OE1-NE 3.47Å; E237-R239 IonicContact OE1-NH2 2.8Å; E237-R239 PolarHBondContact OE1-NH2 2.9Å
238	V	98.8	Very high	97.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113	177.6	-169.3	0	0	0	0	110.5	L195 V202 T216 S217 K218 L226 L236 I245	L195-V238 HydrophobicContact CB-CG1 4.22Å; L195-V238 HydrophobicContact CB-CG2 4.41Å; L195-V238 HydrophobicContact CD1-CG2 4.02Å; L195-V238 CarbonylContact O-C 3.51Å; L195-V238 WeakPolarHBondContact O-CA 3.37Å; V202-V238 HydrophobicContact CB-CG1 3.92Å; V202-V238 HydrophobicContact CG1-CG1 3.69Å; V202-V238 HydrophobicContact CG2-CG1 4.21Å; T216-V238 PolarHBondContact O-N 3.27Å; S217-V238 CarbonylContact C-O 3.6Å; S217-V238 WeakPolarHBondContact CA-O 3.45Å; K218-V238 PolarHBondContact N-O 2.91Å; L226-V238 HydrophobicContact CD1-CB 3.94Å; L226-V238 HydrophobicContact CD1-CG1 4.5Å; L226-V238 HydrophobicContact CD1-CG2 3.55Å; L236-V238 HydrophobicContact CD1-CG2 3.63Å; L236-V238 HydrophobicContact CD2-CG2 4.48Å; L236-V238 HydrophobicContact CG-CG2 3.93Å; V238-I245 HydrophobicContact CB-CD1 4.39Å; V238-I245 HydrophobicContact CB-CG2 4.36Å; V238-I245 HydrophobicContact CG1-CD1 3.91Å; V238-I245 HydrophobicContact CG1-CG1 4.03Å; V238-I245 HydrophobicContact CG1-CG2 3.7Å; V238-I245 WeakPolarHBondContact O-CD1 3.15Å
239	R	98.5	Very high	97.7	Very high	108 Å²	108	62.5 Å²	62.5	41%	0.408	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.7	-176.3	-67.6	-174	179	179.9	7.1	111.7	L195 E196 T197 K218 E237	L195-R239 PolarHBondContact O-N 3.3Å; E196-R239 HydrophobicContact CG-CB 4.2Å; T197-R239 PolarHBondContact N-O 2.85Å; K218-R239 WeakPolarHBondContact O-CA 3.41Å; E237-R239 HydrophobicContact CG-CG 4.25Å; E237-R239 IonicContact OE1-CZ 2.92Å; E237-R239 IonicContact OE1-NE 2.72Å; E237-R239 PolarHBondContact OE1-NE 3.47Å; E237-R239 IonicContact OE1-NH2 2.8Å; E237-R239 PolarHBondContact OE1-NH2 2.9Å
240	T	98.4	Very high	97.7	Very high	7 Å²	7	61.6 Å²	61.6	4%	0.043	33%	0.325	C	S	.	.			trans	-142	176.8	155	-171.1	0	0	0	0	113.4	T197 S198 S200 K218 T219 A243 I245	T197-T240 WeakPolarHBondContact O-CA 3.42Å; T197-T240 WeakPolarHBondContact O-CB 3.47Å; T197-T240 PolarHBondContact O-OG1 2.8Å; S198-T240 PolarHBondContact O-OG1 2.74Å; S200-T240 PolarHBondContact O-OG1 2.85Å; K218-T240 PolarHBondContact O-N 3.27Å; T219-T240 VanDerWaalsContact CA-O 3.27Å; T219-T240 WeakPolarHBondContact CA-O 3.46Å; T219-T240 WeakPolarHBondContact OG1-CG2 3.45Å; T240-A243 WeakPolarHBondContact CG2-O 3.33Å; T240-I245 HydrophobicContact CG2-CD1 4.23Å; T240-I245 HydrophobicContact CG2-CG1 3.87Å
241	S	98.1	Very high	97.3	Very high	47 Å²	47	65 Å²	65	33%	0.329	33%	0.333	S	S	.	.	S	Bend	trans	-111.6	-45.6	175.9	-63.1	0	0	0	0	112.1	S198 T219 S220 N221	S198-S241 WeakPolarHBondContact O-CA 3.48Å; S198-S241 VanDerWaalsContact O-CB 3.23Å; S198-S241 WeakPolarHBondContact O-CB 3.34Å; S198-S241 PolarHBondContact O-N 2.81Å; T219-S241 PolarHBondContact OG1-O 2.96Å; S220-S241 WeakPolarHBondContact CA-O 3.18Å; S220-S241 WeakPolarHBondContact CB-O 3.26Å; S220-S241 PolarHBondContact N-O 2.74Å; N221-S241 PolarHBondContact N-O 2.76Å
242	N	97.4	Very high	97.6	Very high	79 Å²	79	60.3 Å²	60.3	42%	0.422	31%	0.307	S	S	.	.	S	Bend	trans	-122.1	14	-164.3	-61.5	-53	0	0	0	115.1	S198 N199 N221	S198-N242 PolarHBondContact O-N 2.93Å; S198-N242 VanDerWaalsContact O-N 3.11Å; N199-N242 PolarHBondContact OD1-ND2 2.92Å; N221-N242 PolarHBondContact ND2-OD1 2.64Å
243	A	98	Very high	97.6	Very high	16 Å²	16	62.6 Å²	62.6	13%	0.132	32%	0.315	C	S	.	.	S	Bend	trans	-147	169.7	-177.8	0	0	0	0	0	112.5	S200 E201 T219 A222 T240	S200-A243 WeakPolarHBondContact O-CB 3.32Å; E201-A243 HydrophobicContact CB-CB 4.38Å; T219-A243 WeakPolarHBondContact CB-O 3.37Å; T219-A243 PolarHBondContact OG1-O 2.69Å; A222-A243 WeakPolarHBondContact CB-O 3.41Å; T240-A243 WeakPolarHBondContact CG2-O 3.33Å
244	D	98.6	Very high	97.6	Very high	65 Å²	65	59.8 Å²	59.8	35%	0.348	29%	0.289	S	S	.	.			trans	-72.6	148.4	-174.1	-62.8	-46.8	0	0	0	112.5	E201 V202 A222 S223	E201-D244 WeakPolarHBondContact CA-O 3.34Å; E201-D244 HydrophobicContact CG-CB 4.27Å; E201-D244 WeakPolarHBondContact CG-O 3.33Å; V202-D244 PolarHBondContact N-O 3.14Å; A222-D244 WeakPolarHBondContact CB-OD1 3.45Å; S223-D244 WeakPolarHBondContact CA-OD1 3.18Å; S223-D244 WeakPolarHBondContact CB-OD1 3.35Å; S223-D244 PolarHBondContact N-OD1 2.8Å; S223-D244 VanDerWaalsContact O-CA 3.31Å; S223-D244 WeakPolarHBondContact O-CA 3.49Å; S223-D244 PolarHBondContact OG-OD1 2.72Å
245	I	98.8	Very high	97.6	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	111.8	163.6	-62.7	169.5	0	0	0	107.4	V202 K218 S223 N224 N225 L226 V238 T240 I247	V202-I245 WeakPolarHBondContact O-CA 3.44Å; K218-I245 WeakPolarHBondContact O-CD1 3.45Å; S223-I245 PolarHBondContact O-N 2.98Å; N224-I245 HydrophobicContact CB-CB 4.29Å; N225-I245 PolarHBondContact N-O 3.41Å; N225-I245 PolarHBondContact OD1-O 3.24Å; L226-I245 HydrophobicContact CD1-CG2 3.81Å; L226-I245 HydrophobicContact CG-CG2 4.15Å; V238-I245 HydrophobicContact CB-CD1 4.39Å; V238-I245 HydrophobicContact CB-CG2 4.36Å; V238-I245 HydrophobicContact CG1-CD1 3.91Å; V238-I245 HydrophobicContact CG1-CG1 4.03Å; V238-I245 HydrophobicContact CG1-CG2 3.7Å; V238-I245 WeakPolarHBondContact O-CD1 3.15Å; T240-I245 HydrophobicContact CG2-CD1 4.23Å; T240-I245 HydrophobicContact CG2-CG1 3.87Å; I245-I247 HydrophobicContact CG2-CG1 4.18Å
246	E	98.5	Very high	97.5	Very high	106 Å²	106	56.4 Å²	56.4	50%	0.495	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	84.8	-179	-169.3	175.5	-168.4	0	0	110.9	V202 N203 G204	V202-E246 PolarHBondContact O-N 2.61Å; N203-E246 VanDerWaalsContact CA-O 3.22Å; N203-E246 WeakPolarHBondContact CA-O 3.37Å; N203-E246 HydrophobicContact CB-CB 4.47Å; N203-E246 PolarHBondContact OD1-O 2.72Å; G204-E246 PolarHBondContact N-O 3.42Å
247	I	98.6	Very high	97.4	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	132.2	-179.6	-60.8	-64.2	0	0	0	110.7	L184 V202 G204 I206 N225 L226 I245 F249	L184-I247 HydrophobicContact CD1-CD1 3.79Å; V202-I247 HydrophobicContact CG1-CD1 4.23Å; G204-I247 WeakPolarHBondContact O-CA 3.1Å; I206-I247 HydrophobicContact CD1-CG2 3.65Å; I206-I247 HydrophobicContact CG1-CG2 3.93Å; N225-I247 PolarHBondContact ND2-N 2.78Å; N225-I247 PolarHBondContact ND2-O 2.95Å; N225-I247 PolarHBondContact OD1-N 2.77Å; N225-I247 PolarHBondContact OD1-O 2.75Å; L226-I247 HydrophobicContact CD1-CB 4.09Å; L226-I247 HydrophobicContact CD1-CG1 4.03Å; L226-I247 HydrophobicContact CD2-CB 3.77Å; L226-I247 HydrophobicContact CD2-CG2 3.94Å; L226-I247 HydrophobicContact CG-CB 3.95Å; L226-I247 HydrophobicContact CG-CG1 4.37Å; I245-I247 HydrophobicContact CG2-CG1 4.18Å; I247-F249 HydrophobicContact CG2-CE2 4.49Å
248	A	98.2	Very high	97.3	Very high	49 Å²	49	60.1 Å²	60.1	41%	0.405	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.1	171.1	0	0	0	0	0	111	G204 T205 I206	G204-A248 PolarHBondContact O-N 3Å; T205-A248 CarbonylContact C-O 3.6Å; T205-A248 VanDerWaalsContact CA-O 3.28Å; T205-A248 WeakPolarHBondContact CA-O 3.49Å; T205-A248 HydrophobicContact CG2-CB 4.39Å; I206-A248 PolarHBondContact N-O 3.05Å
249	F	98.1	Very high	97.2	Very high	49 Å²	49	64.7 Å²	64.7	22%	0.215	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.8	173.5	-68.7	-93.2	0	0	0	109.5	I206 K210 F213 I215 L226 L236 I247	I206-F249 HydrophobicContact CB-CD1 4.06Å; I206-F249 HydrophobicContact CB-CE1 4.06Å; I206-F249 HydrophobicContact CD1-CE1 4.29Å; I206-F249 HydrophobicContact CD1-CZ 4.44Å; I206-F249 HydrophobicContact CG2-CD1 4.11Å; I206-F249 HydrophobicContact CG2-CE1 3.97Å; I206-F249 CarbonylContact O-C 3.45Å; I206-F249 VanDerWaalsContact O-CA 3.31Å; I206-F249 WeakPolarHBondContact O-CA 3.27Å; K210-F249 HydrophobicContact CB-CD1 4.37Å; K210-F249 HydrophobicContact CB-CD2 3.61Å; K210-F249 HydrophobicContact CB-CE1 4.49Å; K210-F249 HydrophobicContact CB-CE2 3.75Å; K210-F249 HydrophobicContact CB-CG 3.94Å; K210-F249 HydrophobicContact CB-CZ 4.19Å; K210-F249 HydrophobicContact CD-CD2 4.2Å; K210-F249 HydrophobicContact CD-CE2 3.96Å; K210-F249 HydrophobicContact CG-CD2 3.92Å; K210-F249 HydrophobicContact CG-CE2 3.56Å; K210-F249 HydrophobicContact CG-CZ 4.03Å; F213-F249 HydrophobicContact CD2-CD1 4.27Å; F213-F249 AromaticContact CD2-CE1 3.48Å; F213-F249 HydrophobicContact CD2-CE1 3.48Å; F213-F249 VanDerWaalsContact CD2-CE1 3.48Å; F213-F249 HydrophobicContact CD2-CZ 4.2Å; F213-F249 HydrophobicContact CE2-CD1 4.03Å; F213-F249 AromaticContact CE2-CE1 3.51Å; F213-F249 HydrophobicContact CE2-CE1 3.51Å; F213-F249 HydrophobicContact CG-CE1 4.25Å; F213-F249 HydrophobicContact CZ-CE1 4.28Å; I215-F249 HydrophobicContact CD1-CZ 4.24Å; L226-F249 HydrophobicContact CD2-CE2 3.66Å; L226-F249 HydrophobicContact CD2-CZ 4.14Å; L236-F249 HydrophobicContact CD2-CE1 4.41Å; L236-F249 HydrophobicContact CD2-CZ 3.76Å; I247-F249 HydrophobicContact CG2-CE2 4.49Å
250	V	97.1	Very high	97.1	Very high	48 Å²	48	61.1 Å²	61.1	29%	0.291	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	157.1	-177.2	-61.2	0	0	0	0	111	T205 I206 I207 G208	T205-V250 HydrophobicContact CG2-CG1 3.79Å; I206-V250 PolarHBondContact O-N 3.44Å; I207-V250 CarbonylContact C-O 3.51Å; I207-V250 WeakPolarHBondContact CA-O 3.25Å; I207-V250 HydrophobicContact CG1-CG2 4.07Å; G208-V250 PolarHBondContact N-O 2.96Å
251	R	85.9	Confident	97	Very high	261 Å²	261	66 Å²	66	99%	0.985	33%	0.332	S	S	*	.			trans	-109.6	0	-179.5	-70	-176.3	177	170	1.2	111.6	N209	N209-R251 PolarHBondContact OD1-NE 3.37Å; N209-R251 PolarHBondContact OD1-NH2 3.23Å

Retrieved 251 of 251 residues in 111.9 ms (Link to these results)

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