A0A075B5J4_MOUSE Loading...

T cell receptor beta, constant 2 AlphaSync

AlphaFold DB , UniProt , Accession A0A075B5J4, Species MOUSE (Mus musculus, Mouse), Gene Trbc2, Length 173 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	X	59.6	Low	88.9	Confident	115 Å²	115	71 Å²	71	100%	1.186	40%	0.404	S	S	*	.				0	153.3	0	0	0	0	0	0	108.4	L3	G1-L3 PolarHBondContact O-N 2.82Å; G1-L3 VanDerWaalsContact O-N 3.15Å
2	D	74.9	Confident	89.7	Confident	89 Å²	89	67.2 Å²	67.2	48%	0.476	39%	0.385	S	S	.	.			trans	-65	113.4	174.9	-170.5	-5.7	0	0	0	109	R4 N5	D2-R4 PolarHBondContact O-N 3.25Å; D2-R4 VanDerWaalsContact OD1-CB 3.29Å; D2-R4 WeakPolarHBondContact OD1-CB 3.38Å; D2-R4 WeakPolarHBondContact OD1-CD 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.24Å; D2-R4 PolarHBondContact OD1-N 3.32Å; D2-R4 VanDerWaalsContact OD1-N 3.15Å; D2-N5 PolarHBondContact O-N 2.91Å; D2-N5 VanDerWaalsContact O-N 3.11Å
3	L	83.6	Confident	90.4	Very high	67 Å²	67	64.2 Å²	64.2	35%	0.351	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-56.3	-26.2	-179.4	-61.6	176.9	0	0	0	110.7	X1 N5 V6 L99 D103 W105	G1-L3 PolarHBondContact O-N 2.82Å; G1-L3 VanDerWaalsContact O-N 3.15Å; L3-N5 PolarHBondContact O-N 3.09Å; L3-V6 WeakPolarHBondContact O-CB 3.42Å; L3-V6 WeakPolarHBondContact O-CG2 3.41Å; L3-V6 PolarHBondContact O-N 3.22Å; L3-L99 HydrophobicContact CB-CD2 4.42Å; L3-L99 HydrophobicContact CD2-CD2 3.7Å; L3-L99 HydrophobicContact CG-CD2 4.46Å; L3-D103 HydrophobicContact CD1-CB 4.35Å; L3-W105 HydrophobicContact CB-CZ3 4.34Å; L3-W105 WeakPolarHBondContact O-CZ3 3.48Å
4	R	85.9	Confident	91	Very high	181 Å²	181	66.9 Å²	66.9	68%	0.683	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-56.4	-19.1	178.4	-65.4	176.2	177.5	-163.8	-0.7	114.3	D2	D2-R4 PolarHBondContact O-N 3.25Å; D2-R4 VanDerWaalsContact OD1-CB 3.29Å; D2-R4 WeakPolarHBondContact OD1-CB 3.38Å; D2-R4 WeakPolarHBondContact OD1-CD 3.29Å; D2-R4 WeakPolarHBondContact OD1-CG 3.24Å; D2-R4 PolarHBondContact OD1-N 3.32Å; D2-R4 VanDerWaalsContact OD1-N 3.15Å
5	N	92.1	Very high	91.4	Very high	39 Å²	39	68.7 Å²	68.7	21%	0.209	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-93.1	-5	-179.6	-62.3	-24.8	0	0	0	113.6	D2 L3 T7 F37 Y68	D2-N5 PolarHBondContact O-N 2.91Å; D2-N5 VanDerWaalsContact O-N 3.11Å; L3-N5 PolarHBondContact O-N 3.09Å; N5-T7 PolarHBondContact O-N 3.34Å; N5-T7 PolarHBondContact O-OG1 3.44Å; N5-T7 VanDerWaalsContact O-OG1 3.09Å; N5-F37 HydrophobicContact CB-CD1 4.22Å; N5-F37 HydrophobicContact CB-CE1 4.41Å; N5-Y68 HydrophobicContact CB-CD1 3.79Å; N5-Y68 HydrophobicContact CB-CD2 4.46Å; N5-Y68 HydrophobicContact CB-CE1 4.38Å; N5-Y68 HydrophobicContact CB-CG 3.84Å; N5-Y68 WeakPolarHBondContact ND2-CD1 3.37Å; N5-Y68 WeakPolarHBondContact ND2-CE1 3.39Å; N5-Y68 WeakPolarHBondContact ND2-CE2 3.27Å
6	V	95	Very high	91.8	Very high	16 Å²	16	65.3 Å²	65.3	10%	0.097	36%	0.359	C	S	.	.			trans	-64.8	123.1	178.2	-179.9	0	0	0	0	109	L3 F37 F96 L99 P112	L3-V6 WeakPolarHBondContact O-CB 3.42Å; L3-V6 WeakPolarHBondContact O-CG2 3.41Å; L3-V6 PolarHBondContact O-N 3.22Å; V6-F37 CarbonylContact C-O 3.59Å; V6-F37 WeakPolarHBondContact CA-O 3.5Å; V6-F96 HydrophobicContact CG1-CE1 4.23Å; V6-F96 HydrophobicContact CG1-CZ 3.77Å; V6-L99 HydrophobicContact CB-CD2 4.38Å; V6-L99 HydrophobicContact CB-CG 4.37Å; V6-L99 HydrophobicContact CG1-CD2 4.43Å; V6-L99 HydrophobicContact CG1-CG 4.21Å; V6-L99 HydrophobicContact CG2-CD2 3.88Å; V6-L99 HydrophobicContact CG2-CG 4.4Å; V6-P112 HydrophobicContact CB-CG 3.83Å; V6-P112 HydrophobicContact CG1-CB 3.96Å; V6-P112 HydrophobicContact CG1-CG 3.7Å; V6-P112 WeakPolarHBondContact O-CG 3.32Å
7	T	95.5	Very high	92	Very high	60 Å²	60	65.4 Å²	65.4	37%	0.368	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-140.1	128	-173.6	-52.1	0	0	0	0	109.2	N5 G35 F36 F37 F96	N5-T7 PolarHBondContact O-N 3.34Å; N5-T7 PolarHBondContact O-OG1 3.44Å; N5-T7 VanDerWaalsContact O-OG1 3.09Å; T7-G35 WeakPolarHBondContact CG2-O 3.47Å; T7-F36 CarbonylContact O-C 3.59Å; T7-F36 VanDerWaalsContact O-CA 3.23Å; T7-F36 WeakPolarHBondContact O-CA 3.42Å; T7-F37 PolarHBondContact N-O 3.44Å; T7-F37 PolarHBondContact O-N 3.09Å; T7-F96 WeakPolarHBondContact O-CE2 3.26Å; T7-F96 WeakPolarHBondContact O-CZ 3.13Å
8	P	97	Very high	92.1	Very high	47 Å²	47	69.6 Å²	69.6	31%	0.305	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-73.3	154	176.9	30.3	-34.4	0	0	0	111.8	F96 Q115 I117	P8-F96 HydrophobicContact CB-CD1 3.94Å; P8-F96 HydrophobicContact CB-CE1 4.03Å; P8-F96 HydrophobicContact CB-CG 4.44Å; P8-Q115 VanDerWaalsContact CB-NE2 3.3Å; P8-I117 HydrophobicContact CB-CD1 3.93Å
9	P	97.9	Very high	92.3	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.039	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.5	143.8	-179.4	23.7	-31.2	0	0	0	112.5	V11 A33 F36 V41 V94 F96 I117	P9-V11 HydrophobicContact CB-CG2 4.46Å; P9-A33 HydrophobicContact CB-CB 4.19Å; P9-F36 HydrophobicContact CB-CB 3.8Å; P9-F36 HydrophobicContact CB-CD1 3.83Å; P9-F36 HydrophobicContact CB-CG 4.1Å; P9-F36 HydrophobicContact CG-CB 4.3Å; P9-V41 HydrophobicContact CG-CG1 4.43Å; P9-V94 HydrophobicContact CB-CG1 4.5Å; P9-V94 HydrophobicContact CG-CB 4.36Å; P9-V94 HydrophobicContact CG-CG1 3.76Å; P9-F96 HydrophobicContact CG-CB 4.21Å; P9-I117 HydrophobicContact CG-CD1 3.72Å
10	K	98.1	Very high	92.5	Very high	143 Å²	143	67.3 Å²	67.3	62%	0.622	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	116.6	158.5	-173.6	173.2	-177.3	174.6	0	108.8	R34	K10-R34 HydrophobicContact CB-CG 4.36Å; K10-R34 PolarHBondContact N-O 3.26Å; K10-R34 PolarHBondContact O-N 3.41Å
11	V	98.6	Very high	92.6	Very high	18 Å²	18	64.9 Å²	64.9	11%	0.109	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.5	-179.9	-172.7	0	0	0	0	109.9	P9 L32 V94 I117 A119	P9-V11 HydrophobicContact CB-CG2 4.46Å; V11-L32 WeakPolarHBondContact CA-O 3.29Å; V11-V94 HydrophobicContact CG1-CG2 4.21Å; V11-V94 HydrophobicContact CG2-CB 3.92Å; V11-V94 HydrophobicContact CG2-CG2 3.57Å; V11-I117 HydrophobicContact CB-CG2 4.15Å; V11-I117 HydrophobicContact CG2-CB 3.99Å; V11-I117 HydrophobicContact CG2-CG2 3.61Å; V11-A119 HydrophobicContact CB-CB 4.41Å; V11-A119 HydrophobicContact CG1-CB 3.82Å
12	S	98.6	Very high	94.2	Very high	25 Å²	25	62.4 Å²	62.4	18%	0.175	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.3	174.4	-54.8	0	0	0	0	109.7	C31 L32 R34	S12-C31 WeakPolarHBondContact O-CA 3.44Å; S12-L32 PolarHBondContact N-O 2.98Å; S12-L32 PolarHBondContact O-N 3.42Å; S12-R34 PolarHBondContact OG-NH2 3.37Å; S12-R34 VanDerWaalsContact OG-NH2 3.12Å
13	L	98.6	Very high	95.2	Very high	29 Å²	29	64.6 Å²	64.6	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.3	176.2	-177.2	60.2	0	0	0	109.2	L29 C31 W45 C92 A119 A121	L13-L29 HydrophobicContact CD1-CB 4.2Å; L13-L29 HydrophobicContact CD1-CD2 4.21Å; L13-L29 HydrophobicContact CD2-CD2 4.39Å; L13-C31 HydrophobicContact CD1-CB 4.35Å; L13-W45 HydrophobicContact CD1-CH2 3.44Å; L13-W45 VanDerWaalsContact CD1-CH2 3.44Å; L13-W45 HydrophobicContact CD1-CZ3 3.59Å; L13-C92 HydrophobicContact CD1-CB 4.44Å; L13-A119 HydrophobicContact CB-CB 3.73Å; L13-A121 HydrophobicContact CD2-CB 3.58Å; L13-A121 HydrophobicContact CG-CB 4.31Å
14	F	98.6	Very high	95.8	Very high	101 Å²	101	67.7 Å²	67.7	44%	0.443	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	127.5	179.4	-59.9	-85.3	0	0	0	109.9	V30 L32	F14-V30 HydrophobicContact CB-CB 4.3Å; F14-V30 HydrophobicContact CD2-CB 4.47Å; F14-V30 WeakPolarHBondContact CD2-O 3.41Å; F14-V30 PolarHBondContact N-O 3.34Å; F14-V30 PolarHBondContact O-N 3.03Å; F14-V30 VanDerWaalsContact O-N 3.14Å; F14-L32 HydrophobicContact CE2-CB 3.86Å; F14-L32 HydrophobicContact CE2-CD2 4.21Å
15	E	97.7	Very high	96.3	Very high	95 Å²	95	64.9 Å²	64.9	44%	0.444	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-70.7	155.1	178.1	-62.7	-174.7	-175.2	0	0	111.8	W83	E15-W83 HydrophobicContact CB-CH2 4.14Å; E15-W83 HydrophobicContact CB-CZ2 4.04Å; E15-W83 HydrophobicContact CG-CH2 3.81Å; E15-W83 HydrophobicContact CG-CZ2 4.08Å
16	P	97.5	Very high	96.5	Very high	14 Å²	14	67.4 Å²	67.4	9%	0.091	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-63.4	147.7	177.8	-16.5	29.4	0	0	0	112.7	I21 A27 T28 L29 W83	P16-I21 HydrophobicContact CB-CD1 4.1Å; P16-I21 HydrophobicContact CB-CG1 4.4Å; P16-A27 HydrophobicContact CB-CB 3.9Å; P16-A27 HydrophobicContact CG-CB 3.69Å; P16-T28 WeakPolarHBondContact CA-O 3.42Å; P16-L29 HydrophobicContact CG-CD1 4.34Å; P16-L29 HydrophobicContact CG-CG 4.17Å; P16-W83 HydrophobicContact CG-CD2 3.88Å; P16-W83 HydrophobicContact CG-CE3 4.29Å; P16-W83 HydrophobicContact CG-CG 4.21Å; P16-W83 HydrophobicContact CG-CZ2 4.34Å
17	S	95.7	Very high	96.7	Very high	66 Å²	66	66.7 Å²	66.7	46%	0.462	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-74.3	141.8	174.6	76.3	0	0	0	0	112	A19 E20 I21	S17-A19 PolarHBondContact O-N 3.1Å; S17-E20 PolarHBondContact O-N 2.92Å; S17-E20 WeakPolarHBondContact OG-CB 3.45Å; S17-E20 PolarHBondContact OG-N 3.29Å; S17-E20 VanDerWaalsContact OG-N 3.15Å; S17-I21 PolarHBondContact O-N 3.47Å
18	K	94	Very high	96.8	Very high	141 Å²	141	65.3 Å²	65.3	61%	0.613	34%	0.342	S	S	*	.	H	α-helix	trans	-59.9	-35.9	175.3	-51.4	-169.7	-159.5	-150.4	0	112.3	I21 A22 D126	K18-I21 PolarHBondContact O-N 3.34Å; K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.99Å; K18-D126 VanDerWaalsContact CD-OD2 3.29Å; K18-D126 WeakPolarHBondContact CD-OD2 3.45Å; K18-D126 WeakPolarHBondContact CE-OD2 3.44Å; K18-D126 IonicContact NZ-OD2 3.89Å; K18-D126 PolarHBondContact NZ-OD2 2.75Å
19	A	95.2	Very high	96.9	Very high	62 Å²	62	63 Å²	63	51%	0.512	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-40.4	178.8	0	0	0	0	0	112	S17 N23	S17-A19 PolarHBondContact O-N 3.1Å; A19-N23 VanDerWaalsContact O-CB 3.29Å; A19-N23 WeakPolarHBondContact O-CB 3.36Å; A19-N23 PolarHBondContact O-N 3.49Å; A19-N23 VanDerWaalsContact O-N 3.1Å; A19-N23 PolarHBondContact O-ND2 2.95Å
20	E	96.1	Very high	96.9	Very high	32 Å²	32	65 Å²	65	15%	0.15	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-48.9	173.8	-172.8	-164.2	-177.5	0	0	110.8	S17 A22 N23 K24 T28 R77	S17-E20 PolarHBondContact O-N 2.92Å; S17-E20 WeakPolarHBondContact OG-CB 3.45Å; S17-E20 PolarHBondContact OG-N 3.29Å; S17-E20 VanDerWaalsContact OG-N 3.15Å; E20-A22 PolarHBondContact O-N 3.36Å; E20-N23 PolarHBondContact O-N 2.95Å; E20-K24 HydrophobicContact CG-CD 4.22Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.22Å; E20-T28 PolarHBondContact OE1-OG1 3.23Å; E20-T28 WeakPolarHBondContact OE2-CB 3.35Å; E20-T28 PolarHBondContact OE2-N 3.41Å; E20-T28 PolarHBondContact OE2-OG1 2.95Å; E20-R77 IonicContact OE1-NE 2.68Å; E20-R77 IonicContact OE1-NH2 3.98Å
21	I	95.4	Very high	97	Very high	16 Å²	16	58.2 Å²	58.2	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-58.8	-48.5	-178	-68.9	171.5	0	0	0	110.5	P16 S17 K18 N23 Q25 K26 A27 A80 H84	P16-I21 HydrophobicContact CB-CD1 4.1Å; P16-I21 HydrophobicContact CB-CG1 4.4Å; S17-I21 PolarHBondContact O-N 3.47Å; K18-I21 PolarHBondContact O-N 3.34Å; I21-N23 PolarHBondContact O-N 3.42Å; I21-Q25 VanDerWaalsContact O-CA 3.24Å; I21-Q25 WeakPolarHBondContact O-CA 3.42Å; I21-Q25 PolarHBondContact O-N 3.38Å; I21-Q25 PolarHBondContact O-NE2 2.93Å; I21-K26 WeakPolarHBondContact CA-O 3.41Å; I21-A27 HydrophobicContact CD1-CB 4.39Å; I21-A27 HydrophobicContact CG1-CB 4.16Å; I21-A80 HydrophobicContact CG2-CB 3.87Å; I21-H84 WeakPolarHBondContact CG2-NE2 3.36Å
22	A	92.9	Very high	97	Very high	63 Å²	63	59.3 Å²	59.3	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-46.1	-179.1	0	0	0	0	0	111.7	K18 E20 Q25	K18-A22 WeakPolarHBondContact O-CB 3.41Å; K18-A22 PolarHBondContact O-N 2.99Å; E20-A22 PolarHBondContact O-N 3.36Å; A22-Q25 PolarHBondContact O-NE2 3.47Å
23	N	95.8	Very high	97	Very high	135 Å²	135	58.1 Å²	58.1	72%	0.722	31%	0.306	S	S	*	.	H	α-helix	trans	-80.4	-34.7	-172.7	-67.6	-18.5	0	0	0	113.7	A19 E20 I21	A19-N23 VanDerWaalsContact O-CB 3.29Å; A19-N23 WeakPolarHBondContact O-CB 3.36Å; A19-N23 PolarHBondContact O-N 3.49Å; A19-N23 VanDerWaalsContact O-N 3.1Å; A19-N23 PolarHBondContact O-ND2 2.95Å; E20-N23 PolarHBondContact O-N 2.95Å; I21-N23 PolarHBondContact O-N 3.42Å
24	K	96.6	Very high	96.9	Very high	132 Å²	132	60.7 Å²	60.7	57%	0.574	31%	0.314	S	S	*	.	H	α-helix	trans	-115.5	-9.2	-170.4	-61	-175.3	-179.4	175.4	0	113.7	E20 K26	E20-K24 HydrophobicContact CG-CD 4.22Å; E20-K24 WeakPolarHBondContact O-CB 3.48Å; E20-K24 PolarHBondContact O-N 3.22Å; K24-K26 HydrophobicContact CB-CB 4.42Å; K24-K26 PolarHBondContact O-N 3.02Å; K24-K26 VanDerWaalsContact O-N 3.09Å
25	Q	95.7	Very high	96.9	Very high	122 Å²	122	57.1 Å²	57.1	57%	0.57	31%	0.306	S	S	*	.	S	Bend	trans	53.7	29.3	-173.9	-60	-63.8	-46.6	0	0	112.7	I21 A22 A80	I21-Q25 VanDerWaalsContact O-CA 3.24Å; I21-Q25 WeakPolarHBondContact O-CA 3.42Å; I21-Q25 PolarHBondContact O-N 3.38Å; I21-Q25 PolarHBondContact O-NE2 2.93Å; A22-Q25 PolarHBondContact O-NE2 3.47Å; Q25-A80 WeakPolarHBondContact O-CB 3.33Å; Q25-A80 PolarHBondContact O-N 3.27Å
26	K	97.1	Very high	96.8	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.4	177.9	-65.3	-64.2	-177	179	0	108.9	I21 K24	I21-K26 WeakPolarHBondContact CA-O 3.41Å; K24-K26 HydrophobicContact CB-CB 4.42Å; K24-K26 PolarHBondContact O-N 3.02Å; K24-K26 VanDerWaalsContact O-N 3.09Å
27	A	97.6	Very high	96.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.2	-179.6	0	0	0	0	0	108.7	P16 I21 R77 V78 W83	P16-A27 HydrophobicContact CB-CB 3.9Å; P16-A27 HydrophobicContact CG-CB 3.69Å; I21-A27 HydrophobicContact CD1-CB 4.39Å; I21-A27 HydrophobicContact CG1-CB 4.16Å; A27-R77 WeakPolarHBondContact O-CA 3.32Å; A27-V78 HydrophobicContact CB-CG2 4Å; A27-V78 PolarHBondContact N-O 3.17Å; A27-V78 PolarHBondContact O-N 3.33Å; A27-W83 HydrophobicContact CB-CB 3.58Å; A27-W83 HydrophobicContact CB-CG 3.87Å
28	T	98.5	Very high	96.8	Very high	31 Å²	31	51.9 Å²	51.9	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.5	176.2	-54.7	0	0	0	0	109.9	P16 E20 R75 L76	P16-T28 WeakPolarHBondContact CA-O 3.42Å; E20-T28 PolarHBondContact OE1-OG1 3.23Å; E20-T28 WeakPolarHBondContact OE2-CB 3.35Å; E20-T28 PolarHBondContact OE2-N 3.41Å; E20-T28 PolarHBondContact OE2-OG1 2.95Å; T28-R75 HydrophobicContact CG2-CB 4.23Å; T28-L76 WeakPolarHBondContact CA-O 3.49Å
29	L	98.7	Very high	96.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.4	167.8	-62.9	92	0	0	0	109.3	L13 P16 W45 R75 L76 V78 W83 F90	L13-L29 HydrophobicContact CD1-CB 4.2Å; L13-L29 HydrophobicContact CD1-CD2 4.21Å; L13-L29 HydrophobicContact CD2-CD2 4.39Å; P16-L29 HydrophobicContact CG-CD1 4.34Å; P16-L29 HydrophobicContact CG-CG 4.17Å; L29-W45 HydrophobicContact CB-CH2 3.73Å; L29-W45 HydrophobicContact CB-CZ3 3.98Å; L29-W45 HydrophobicContact CD2-CZ3 4.4Å; L29-R75 WeakPolarHBondContact O-CA 3.33Å; L29-L76 PolarHBondContact N-O 2.97Å; L29-L76 PolarHBondContact O-N 3.49Å; L29-V78 HydrophobicContact CD1-CG2 4.24Å; L29-W83 HydrophobicContact CD1-CE3 4.3Å; L29-W83 HydrophobicContact CD2-CE3 4.39Å; L29-W83 HydrophobicContact CD2-CZ3 3.89Å; L29-W83 HydrophobicContact CG-CZ3 4.41Å; L29-F90 HydrophobicContact CD1-CD1 4.23Å; L29-F90 HydrophobicContact CD1-CE1 4.34Å; L29-F90 HydrophobicContact CD2-CB 3.94Å; L29-F90 HydrophobicContact CD2-CD1 4.21Å; L29-F90 HydrophobicContact CD2-CG 3.99Å
30	V	98.8	Very high	96.9	Very high	48 Å²	48	50.9 Å²	50.9	29%	0.291	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	123.1	176.5	-177	0	0	0	0	109.1	F14 R75	F14-V30 HydrophobicContact CB-CB 4.3Å; F14-V30 HydrophobicContact CD2-CB 4.47Å; F14-V30 WeakPolarHBondContact CD2-O 3.41Å; F14-V30 PolarHBondContact N-O 3.34Å; F14-V30 PolarHBondContact O-N 3.03Å; F14-V30 VanDerWaalsContact O-N 3.14Å; V30-R75 HydrophobicContact CG2-CG 4.3Å
31	C	98.8	Very high	97	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.7	169.7	-173.5	0	0	0	0	109.9	S12 L13 W45 S73 S74 C92	S12-C31 WeakPolarHBondContact O-CA 3.44Å; L13-C31 HydrophobicContact CD1-CB 4.35Å; C31-W45 HydrophobicContact CB-CH2 3.82Å; C31-W45 HydrophobicContact CB-CZ2 3.58Å; C31-S73 WeakPolarHBondContact O-CA 3.26Å; C31-S74 PolarHBondContact N-O 3.13Å; C31-S74 PolarHBondContact O-N 2.91Å; C31-C92 HydrophobicContact CB-CB 3.59Å; C31-C92 WeakPolarHBondContact CB-SG 2.85Å; C31-C92 WeakPolarHBondContact SG-CB 3.28Å; C31-C92 CovalentContact SG-SG 2.02Å; C31-C92 PolarHBondContact SG-SG 3.4Å
32	L	98.6	Very high	97.1	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.209	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.5	177.1	-172.6	66.1	0	0	0	109.4	V11 S12 F14 C71	V11-L32 WeakPolarHBondContact CA-O 3.29Å; S12-L32 PolarHBondContact N-O 2.98Å; S12-L32 PolarHBondContact O-N 3.42Å; F14-L32 HydrophobicContact CE2-CB 3.86Å; F14-L32 HydrophobicContact CE2-CD2 4.21Å; L32-C71 VanDerWaalsContact CD1-SG 3.51Å
33	A	98.6	Very high	97.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	121.4	167.3	0	0	0	0	0	107.6	P9 F36 C71 L72 V94	P9-A33 HydrophobicContact CB-CB 4.19Å; A33-F36 HydrophobicContact CB-CD1 4.5Å; A33-F36 HydrophobicContact CB-CE1 4.17Å; A33-F36 WeakPolarHBondContact O-CE1 3.31Å; A33-C71 CarbonylContact O-C 3.58Å; A33-C71 WeakPolarHBondContact O-CA 3.35Å; A33-L72 HydrophobicContact CB-CB 4.5Å; A33-L72 PolarHBondContact N-O 3.05Å; A33-L72 PolarHBondContact O-N 3.44Å; A33-V94 HydrophobicContact CB-CG1 4.47Å; A33-V94 HydrophobicContact CB-CG2 3.91Å
34	R	97.8	Very high	97.4	Very high	84 Å²	84	48.6 Å²	48.6	32%	0.317	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.9	-177	74.3	-174.9	99.4	154.7	5.8	111.8	K10 S12 Y70 C71	K10-R34 HydrophobicContact CB-CG 4.36Å; K10-R34 PolarHBondContact N-O 3.26Å; K10-R34 PolarHBondContact O-N 3.41Å; S12-R34 PolarHBondContact OG-NH2 3.37Å; S12-R34 VanDerWaalsContact OG-NH2 3.12Å; R34-Y70 CarbonylContact C-O 3.54Å; R34-C71 HydrophobicContact CB-CB 4.5Å
35	G	97.1	Very high	97.6	Very high	26 Å²	26	42.4 Å²	42.4	27%	0.268	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.3	15.1	171.7	0	0	0	0	0	114.7	T7 S69 Y70	T7-G35 WeakPolarHBondContact CG2-O 3.47Å; G35-S69 WeakPolarHBondContact CA-OG 3.39Å; G35-Y70 PolarHBondContact N-O 3.25Å
36	F	97.2	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.9	-174.9	59.2	-84.8	0	0	0	113.3	T7 P9 A33 P38 D39 V41 A62 Y70 L72 F96	T7-F36 CarbonylContact O-C 3.59Å; T7-F36 VanDerWaalsContact O-CA 3.23Å; T7-F36 WeakPolarHBondContact O-CA 3.42Å; P9-F36 HydrophobicContact CB-CB 3.8Å; P9-F36 HydrophobicContact CB-CD1 3.83Å; P9-F36 HydrophobicContact CB-CG 4.1Å; P9-F36 HydrophobicContact CG-CB 4.3Å; A33-F36 HydrophobicContact CB-CD1 4.5Å; A33-F36 HydrophobicContact CB-CE1 4.17Å; A33-F36 WeakPolarHBondContact O-CE1 3.31Å; F36-P38 WeakPolarHBondContact CD2-O 3.1Å; F36-D39 HydrophobicContact CE2-CB 4.42Å; F36-V41 HydrophobicContact CD2-CG1 3.57Å; F36-V41 HydrophobicContact CD2-CG2 4.14Å; F36-V41 HydrophobicContact CE1-CG2 4.41Å; F36-V41 HydrophobicContact CE2-CB 4.26Å; F36-V41 HydrophobicContact CE2-CG1 3.77Å; F36-V41 HydrophobicContact CE2-CG2 3.42Å; F36-V41 VanDerWaalsContact CE2-CG2 3.42Å; F36-V41 HydrophobicContact CG-CG1 4.06Å; F36-V41 HydrophobicContact CZ-CG1 4.41Å; F36-V41 HydrophobicContact CZ-CG2 3.6Å; F36-A62 HydrophobicContact CE2-CB 4.18Å; F36-A62 HydrophobicContact CZ-CB 3.89Å; F36-Y70 VanDerWaalsContact CD1-O 3.24Å; F36-Y70 WeakPolarHBondContact CD1-O 3.49Å; F36-Y70 WeakPolarHBondContact CE1-O 3.47Å; F36-Y70 VanDerWaalsContact CE2-CB 3.48Å; F36-Y70 HydrophobicContact CE2-CG 4.44Å; F36-Y70 PolarHBondContact N-O 3.23Å; F36-Y70 PolarHBondContact O-N 3.26Å; F36-L72 HydrophobicContact CE1-CB 4.11Å; F36-L72 HydrophobicContact CZ-CB 3.89Å; F36-F96 HydrophobicContact CB-CE2 4.44Å
37	F	96.8	Very high	97.8	Very high	38 Å²	38	35.8 Å²	35.8	17%	0.167	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-154.4	137.1	170.7	-176.1	-91.3	0	0	0	109.7	N5 V6 T7 Y68 Y70	N5-F37 HydrophobicContact CB-CD1 4.22Å; N5-F37 HydrophobicContact CB-CE1 4.41Å; V6-F37 CarbonylContact C-O 3.59Å; V6-F37 WeakPolarHBondContact CA-O 3.5Å; T7-F37 PolarHBondContact N-O 3.44Å; T7-F37 PolarHBondContact O-N 3.09Å; F37-Y68 WeakPolarHBondContact CB-O 3.16Å; F37-Y68 HydrophobicContact CD1-CD1 4.47Å; F37-Y68 HydrophobicContact CD2-CD1 4.35Å; F37-Y68 HydrophobicContact CE1-CD1 4.12Å; F37-Y68 AromaticContact CE2-CD1 3.98Å; F37-Y68 HydrophobicContact CE2-CD1 3.98Å; F37-Y68 AromaticContact CZ-CD1 3.86Å; F37-Y68 HydrophobicContact CZ-CD1 3.86Å; F37-Y68 HydrophobicContact CZ-CE1 4.46Å; F37-Y70 AromaticContact CD2-CD2 3.99Å; F37-Y70 HydrophobicContact CD2-CD2 3.99Å; F37-Y70 AromaticContact CD2-CE2 3.65Å; F37-Y70 HydrophobicContact CD2-CE2 3.65Å; F37-Y70 AromaticContact CE2-CE2 3.97Å; F37-Y70 HydrophobicContact CE2-CE2 3.97Å
38	P	95.4	Very high	97.8	Very high	27 Å²	27	39.6 Å²	39.6	18%	0.175	20%	0.204	C	C	.	.	S	Bend	cis	-67.6	-177	-5.4	32.6	-37.3	0	0	0	112.2	F36 H40	F36-P38 WeakPolarHBondContact CD2-O 3.1Å; P38-H40 HydrophobicContact CG-CB 4.25Å; P38-H40 WeakPolarHBondContact CG-ND1 3.33Å; P38-H40 PolarHBondContact O-N 2.95Å; P38-H40 VanDerWaalsContact O-N 3.12Å
39	D	95.8	Very high	97.8	Very high	76 Å²	76	40.7 Å²	40.7	41%	0.406	22%	0.222	S	C	.	.	S	Bend	trans	-76.5	15.1	179.6	61.1	-16.5	0	0	0	114.5	F36 V41 A62 Y70	F36-D39 HydrophobicContact CE2-CB 4.42Å; D39-V41 PolarHBondContact O-N 3.21Å; D39-A62 HydrophobicContact CB-CB 4.23Å; D39-Y70 HydrophobicContact CB-CD1 4.02Å; D39-Y70 HydrophobicContact CB-CD2 3.82Å; D39-Y70 HydrophobicContact CB-CE1 4.13Å; D39-Y70 HydrophobicContact CB-CE2 3.9Å; D39-Y70 HydrophobicContact CB-CG 3.87Å
40	H	95.7	Very high	97.8	Very high	106 Å²	106	48.3 Å²	48.3	49%	0.491	26%	0.255	S	S	.	.			trans	-80.7	78.9	-178.8	-52.9	158.4	0	0	0	111.4	P38 H97	P38-H40 HydrophobicContact CG-CB 4.25Å; P38-H40 WeakPolarHBondContact CG-ND1 3.33Å; P38-H40 PolarHBondContact O-N 2.95Å; P38-H40 VanDerWaalsContact O-N 3.12Å; H40-H97 HydrophobicContact CB-CB 3.9Å; H40-H97 PolarHBondContact O-N 3.41Å
41	V	97.4	Very high	97.7	Very high	24 Å²	24	50.3 Å²	50.3	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.9	176.8	-65	0	0	0	0	112	P9 F36 D39 L72 V94 Q95 F96	P9-V41 HydrophobicContact CG-CG1 4.43Å; F36-V41 HydrophobicContact CD2-CG1 3.57Å; F36-V41 HydrophobicContact CD2-CG2 4.14Å; F36-V41 HydrophobicContact CE1-CG2 4.41Å; F36-V41 HydrophobicContact CE2-CB 4.26Å; F36-V41 HydrophobicContact CE2-CG1 3.77Å; F36-V41 HydrophobicContact CE2-CG2 3.42Å; F36-V41 VanDerWaalsContact CE2-CG2 3.42Å; F36-V41 HydrophobicContact CG-CG1 4.06Å; F36-V41 HydrophobicContact CZ-CG1 4.41Å; F36-V41 HydrophobicContact CZ-CG2 3.6Å; D39-V41 PolarHBondContact O-N 3.21Å; V41-L72 HydrophobicContact CG2-CD2 3.89Å; V41-V94 HydrophobicContact CB-CG1 3.86Å; V41-V94 HydrophobicContact CG1-CG1 4Å; V41-Q95 CarbonylContact C-O 3.54Å; V41-Q95 VanDerWaalsContact CA-O 3.27Å; V41-Q95 WeakPolarHBondContact CA-O 3.38Å; V41-F96 HydrophobicContact CG1-CD2 3.88Å
42	E	97.6	Very high	97.7	Very high	129 Å²	129	52.2 Å²	52.2	60%	0.603	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	127.2	169	-58.2	-178.9	171.4	0	0	109.4	V94 Q95	E42-V94 CarbonylContact O-C 3.59Å; E42-V94 VanDerWaalsContact O-CA 3.3Å; E42-V94 WeakPolarHBondContact O-CA 3.34Å; E42-Q95 HydrophobicContact CB-CB 4.25Å; E42-Q95 PolarHBondContact N-O 3Å; E42-Q95 PolarHBondContact O-N 2.72Å
43	L	98.3	Very high	97.7	Very high	25 Å²	25	57.1 Å²	57.1	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.4	-178.6	-169	162.5	0	0	0	110.2	L72 Q93 V94	L43-L72 HydrophobicContact CB-CD2 4.11Å; L43-L72 HydrophobicContact CD1-CD2 4.36Å; L43-Q93 CarbonylContact C-O 3.57Å; L43-Q93 WeakPolarHBondContact CA-O 3.39Å; L43-V94 HydrophobicContact CB-CG2 4.5Å; L43-V94 HydrophobicContact CD1-CG2 4.24Å; L43-V94 HydrophobicContact CG-CG2 4.1Å
44	S	98.5	Very high	97.7	Very high	20 Å²	20	62.4 Å²	62.4	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	153.2	177.3	56.6	0	0	0	0	112.2	W46 E51 Q93	S44-W46 PolarHBondContact OG-NE1 3Å; S44-W46 VanDerWaalsContact OG-NE1 3.08Å; S44-E51 WeakPolarHBondContact CB-OE1 3.39Å; S44-Q93 PolarHBondContact N-O 3.04Å; S44-Q93 PolarHBondContact O-N 3.43Å
45	W	98.8	Very high	97.7	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.008	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	135.2	174.7	-74.7	91.1	0	0	0	110.4	L13 L29 C31 E51 V52 V56 S74 L76 C92	L13-W45 HydrophobicContact CD1-CH2 3.44Å; L13-W45 VanDerWaalsContact CD1-CH2 3.44Å; L13-W45 HydrophobicContact CD1-CZ3 3.59Å; L29-W45 HydrophobicContact CB-CH2 3.73Å; L29-W45 HydrophobicContact CB-CZ3 3.98Å; L29-W45 HydrophobicContact CD2-CZ3 4.4Å; C31-W45 HydrophobicContact CB-CH2 3.82Å; C31-W45 HydrophobicContact CB-CZ2 3.58Å; W45-E51 CarbonylContact O-C 3.52Å; W45-E51 WeakPolarHBondContact O-CA 3.23Å; W45-V52 HydrophobicContact CB-CG2 3.65Å; W45-V52 PolarHBondContact O-N 3.02Å; W45-V56 HydrophobicContact CB-CG2 4.11Å; W45-V56 HydrophobicContact CG-CG2 4.05Å; W45-S74 PolarHBondContact NE1-OG 2.68Å; W45-L76 HydrophobicContact CB-CD2 4.41Å; W45-L76 HydrophobicContact CD2-CB 3.55Å; W45-L76 HydrophobicContact CD2-CD2 3.94Å; W45-L76 HydrophobicContact CD2-CG 4.3Å; W45-L76 HydrophobicContact CE3-CB 3.68Å; W45-L76 HydrophobicContact CE3-CD2 3.5Å; W45-L76 VanDerWaalsContact CE3-CD2 3.5Å; W45-L76 HydrophobicContact CE3-CG 4.22Å; W45-L76 HydrophobicContact CG-CB 4.14Å; W45-L76 HydrophobicContact CG-CD2 4.35Å; W45-L76 HydrophobicContact CH2-CB 3.87Å; W45-L76 HydrophobicContact CZ2-CB 3.76Å; W45-L76 HydrophobicContact CZ3-CB 3.83Å; W45-L76 HydrophobicContact CZ3-CD2 4.02Å; W45-C92 HydrophobicContact CE3-CB 4.43Å; W45-C92 HydrophobicContact CZ3-CB 4.32Å
46	W	98.7	Very high	97.8	Very high	60 Å²	60	61.2 Å²	61.2	23%	0.227	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128	178.8	-66.1	73.1	0	0	0	109.3	S44 K50 E51 R91	S44-W46 PolarHBondContact OG-NE1 3Å; S44-W46 VanDerWaalsContact OG-NE1 3.08Å; W46-K50 CarbonylContact C-O 3.49Å; W46-K50 VanDerWaalsContact CA-O 3.32Å; W46-K50 WeakPolarHBondContact CA-O 3.35Å; W46-E51 HydrophobicContact CD2-CB 4.23Å; W46-E51 HydrophobicContact CE3-CB 4.4Å; W46-E51 HydrophobicContact CH2-CB 4.33Å; W46-E51 HydrophobicContact CZ2-CB 4.15Å; W46-E51 HydrophobicContact CZ3-CB 4.45Å; W46-R91 HydrophobicContact CB-CB 4.09Å; W46-R91 PolarHBondContact N-O 3.41Å; W46-R91 PolarHBondContact O-N 3.23Å
47	V	98.6	Very high	97.8	Very high	16 Å²	16	64.6 Å²	64.6	10%	0.097	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.6	177.9	178.9	0	0	0	0	108.1	G49 K50 V52 L76 F82 H89 F90	V47-G49 PolarHBondContact O-N 3.28Å; V47-K50 PolarHBondContact N-O 3.33Å; V47-K50 PolarHBondContact O-N 3.41Å; V47-V52 HydrophobicContact CB-CG1 3.94Å; V47-V52 HydrophobicContact CG2-CG1 3.99Å; V47-V52 HydrophobicContact CG2-CG2 3.79Å; V47-L76 HydrophobicContact CG2-CD2 3.93Å; V47-F82 HydrophobicContact CG1-CE1 3.6Å; V47-F82 HydrophobicContact CG1-CZ 3.65Å; V47-H89 WeakPolarHBondContact CA-O 3.36Å; V47-F90 HydrophobicContact CG1-CE1 4.36Å; V47-F90 HydrophobicContact CG2-CD1 3.96Å; V47-F90 HydrophobicContact CG2-CE1 4.31Å
48	N	98.1	Very high	97.9	Very high	80 Å²	80	65.3 Å²	65.3	43%	0.428	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	42.8	-177.8	-60.7	-26.6	0	0	0	112.7	K50 N88 H89	N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.19Å; N48-N88 PolarHBondContact ND2-OD1 2.93Å; N48-N88 WeakPolarHBondContact OD1-CA 2.99Å; N48-H89 PolarHBondContact N-O 3.2Å; N48-H89 PolarHBondContact OD1-N 3.13Å
49	G	97.9	Very high	98	Very high	54 Å²	54	66.5 Å²	66.5	56%	0.557	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	6.7	178.7	0	0	0	0	0	115.7	V47	V47-G49 PolarHBondContact O-N 3.28Å
50	K	98.5	Very high	98	Very high	159 Å²	159	69.3 Å²	69.3	69%	0.691	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.2	176.2	-64.1	-174.3	-179.7	-175.6	0	111.3	W46 V47 N48	W46-K50 CarbonylContact C-O 3.49Å; W46-K50 VanDerWaalsContact CA-O 3.32Å; W46-K50 WeakPolarHBondContact CA-O 3.35Å; V47-K50 PolarHBondContact N-O 3.33Å; V47-K50 PolarHBondContact O-N 3.41Å; N48-K50 VanDerWaalsContact C-N 3.29Å; N48-K50 PolarHBondContact O-N 3.19Å
51	E	98.5	Very high	98	Very high	91 Å²	91	72.1 Å²	72.1	43%	0.425	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	139.9	172.9	-170.7	171.2	-169.8	0	0	110.8	S44 W45 W46 H53	S44-E51 WeakPolarHBondContact CB-OE1 3.39Å; W45-E51 CarbonylContact O-C 3.52Å; W45-E51 WeakPolarHBondContact O-CA 3.23Å; W46-E51 HydrophobicContact CD2-CB 4.23Å; W46-E51 HydrophobicContact CE3-CB 4.4Å; W46-E51 HydrophobicContact CH2-CB 4.33Å; W46-E51 HydrophobicContact CZ2-CB 4.15Å; W46-E51 HydrophobicContact CZ3-CB 4.45Å; E51-H53 IonicContact OE1-CE1 2.81Å
52	V	98.5	Very high	98	Very high	39 Å²	39	72.1 Å²	72.1	24%	0.236	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.6	-179.9	-61.9	0	0	0	0	111.1	W45 V47 V56 L76	W45-V52 HydrophobicContact CB-CG2 3.65Å; W45-V52 PolarHBondContact O-N 3.02Å; V47-V52 HydrophobicContact CB-CG1 3.94Å; V47-V52 HydrophobicContact CG2-CG1 3.99Å; V47-V52 HydrophobicContact CG2-CG2 3.79Å; V52-V56 HydrophobicContact CG2-CG2 4.37Å; V52-V56 WeakPolarHBondContact O-CG2 3.48Å; V52-L76 HydrophobicContact CG2-CD1 4.19Å; V52-L76 HydrophobicContact CG2-CD2 4.47Å
53	H	98.2	Very high	97.9	Very high	143 Å²	143	73.9 Å²	73.9	66%	0.662	41%	0.413	S	S	*	.			trans	-113.8	-22.4	175.1	-54.2	-67.7	0	0	0	112.6	E51	E51-H53 IonicContact OE1-CE1 2.81Å
54	S	98.2	Very high	97.8	Very high	112 Å²	112	77.5 Å²	77.5	78%	0.783	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	134.5	179.5	-173.9	0	0	0	0	111.2	V56	S54-V56 PolarHBondContact O-N 3.35Å
55	G	97.8	Very high	97.6	Very high	40 Å²	40	81.3 Å²	81.3	41%	0.412	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	6.8	-178.7	0	0	0	0	0	114.5	R77	G55-R77 PolarHBondContact O-N 2.83Å
56	V	98.7	Very high	97.4	Very high	44 Å²	44	84.3 Å²	84.3	27%	0.267	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.3	176.8	177.8	0	0	0	0	110.2	W45 V52 S54 R75 L76	W45-V56 HydrophobicContact CB-CG2 4.11Å; W45-V56 HydrophobicContact CG-CG2 4.05Å; V52-V56 HydrophobicContact CG2-CG2 4.37Å; V52-V56 WeakPolarHBondContact O-CG2 3.48Å; S54-V56 PolarHBondContact O-N 3.35Å; V56-R75 CarbonylContact C-O 3.6Å; V56-R75 WeakPolarHBondContact CA-O 3.34Å; V56-L76 HydrophobicContact CG2-CD1 3.83Å
57	S	98.5	Very high	97.1	Very high	71 Å²	71	86.8 Å²	86.8	50%	0.497	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	102.2	170.6	-176.4	0	0	0	0	109.1	S74 R75	S57-S74 WeakPolarHBondContact O-CA 3.47Å; S57-R75 PolarHBondContact N-O 2.98Å; S57-R75 PolarHBondContact O-N 3.4Å
58	T	98.4	Very high	96.9	Very high	53 Å²	53	91.8 Å²	91.8	33%	0.325	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.5	174.7	-55	0	0	0	0	109.7	L72 S74	T58-L72 HydrophobicContact CG2-CD1 4.34Å; T58-L72 HydrophobicContact CG2-CD2 4.24Å; T58-L72 HydrophobicContact CG2-CG 4.35Å; T58-S74 WeakPolarHBondContact OG1-CB 3.23Å; T58-S74 PolarHBondContact OG1-OG 3.43Å
59	D	97.6	Very high	96.8	Very high	52 Å²	52	88.9 Å²	88.9	28%	0.278	49%	0.486	S	S	.	.			trans	-60.1	137.8	173.8	-63.9	-24.4	0	0	0	109.6	Q61 L72 S73 R75	D59-Q61 VanDerWaalsContact C-N 3.27Å; D59-Q61 PolarHBondContact O-N 2.71Å; D59-L72 HydrophobicContact CB-CD1 3.99Å; D59-S73 VanDerWaalsContact CG-OG 3.28Å; D59-S73 PolarHBondContact N-O 3.06Å; D59-S73 PolarHBondContact OD1-OG 3.19Å; D59-S73 WeakPolarHBondContact OD2-CB 3.49Å; D59-S73 PolarHBondContact OD2-N 3.21Å; D59-S73 PolarHBondContact OD2-OG 3.34Å; D59-R75 IonicContact OD1-CZ 3.94Å; D59-R75 IonicContact OD1-NH1 3.72Å; D59-R75 PolarHBondContact OD1-NH1 3.47Å; D59-R75 IonicContact OD1-NH2 3.83Å
60	P	96	Very high	96.8	Very high	135 Å²	135	88.1 Å²	88.1	88%	0.877	47%	0.467	S	S	*	.	S	Bend	trans	-70.1	-23.7	-171.5	26.7	-35	0	0	0	113.5
61	Q	95.6	Very high	96.8	Very high	165 Å²	165	81.3 Å²	81.3	77%	0.771	44%	0.439	S	S	*	.	S	Bend	trans	-141.1	148.4	177.8	-68.2	-176.2	2.2	0	0	109.6	D59	D59-Q61 VanDerWaalsContact C-N 3.27Å; D59-Q61 PolarHBondContact O-N 2.71Å
62	A	96.8	Very high	96.8	Very high	25 Å²	25	77.6 Å²	77.6	21%	0.207	42%	0.422	C	S	.	.			trans	-68.5	133.7	172.4	0	0	0	0	0	110.3	F36 D39 Y70 C71	F36-A62 HydrophobicContact CE2-CB 4.18Å; F36-A62 HydrophobicContact CZ-CB 3.89Å; D39-A62 HydrophobicContact CB-CB 4.23Å; A62-Y70 HydrophobicContact CB-CD1 4.1Å; A62-Y70 HydrophobicContact CB-CG 4.44Å; A62-C71 CarbonylContact C-O 3.56Å; A62-C71 WeakPolarHBondContact CA-O 3.26Å
63	Y	96.5	Very high	96.8	Very high	166 Å²	166	76.5 Å²	76.5	65%	0.651	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	133.9	173.3	178.1	-100.1	0	0	0	110.2	E65 Y70 C71	Y63-E65 HydrophobicContact CD1-CG 3.99Å; Y63-E65 HydrophobicContact CE1-CG 4.15Å; Y63-E65 PolarHBondContact O-N 3.23Å; Y63-Y70 CarbonylContact O-C 3.56Å; Y63-Y70 VanDerWaalsContact O-CA 3.26Å; Y63-Y70 WeakPolarHBondContact O-CA 3.33Å; Y63-C71 PolarHBondContact N-O 3.15Å; Y63-C71 PolarHBondContact O-N 3.21Å
64	K	96.5	Very high	96.8	Very high	100 Å²	100	69.7 Å²	69.7	44%	0.435	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	106.1	177	-170.1	173.7	-179.4	178.2	0	110.2	S66 Y70	K64-S66 WeakPolarHBondContact CE-O 2.99Å; K64-S66 WeakPolarHBondContact CG-O 3.4Å; K64-Y70 HydrophobicContact CB-CD1 3.99Å; K64-Y70 HydrophobicContact CB-CE1 3.72Å; K64-Y70 HydrophobicContact CD-CE1 4.24Å; K64-Y70 HydrophobicContact CG-CD1 4.33Å; K64-Y70 HydrophobicContact CG-CE1 3.89Å
65	E	93.6	Very high	96.8	Very high	101 Å²	101	69 Å²	69	47%	0.472	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-36.6	175.4	-73.7	-174.5	-170.4	0	0	111.8	Y63 S69 C71	Y63-E65 HydrophobicContact CD1-CG 3.99Å; Y63-E65 HydrophobicContact CE1-CG 4.15Å; Y63-E65 PolarHBondContact O-N 3.23Å; E65-S69 PolarHBondContact N-O 3.33Å; E65-C71 HydrophobicContact CG-CB 3.86Å; E65-C71 WeakPolarHBondContact OE1-CB 3.43Å; E65-C71 PolarHBondContact OE1-SG 3.03Å
66	S	94.3	Very high	96.9	Very high	65 Å²	65	67.2 Å²	67.2	46%	0.455	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-174.4	175.9	70	0	0	0	0	111.3	K64 Y68 S69	K64-S66 WeakPolarHBondContact CE-O 2.99Å; K64-S66 WeakPolarHBondContact CG-O 3.4Å; S66-Y68 PolarHBondContact O-N 2.81Å; S66-Y68 VanDerWaalsContact O-N 3.16Å; S66-S69 PolarHBondContact N-O 2.89Å; S66-S69 VanDerWaalsContact N-O 3.16Å; S66-S69 PolarHBondContact O-N 3.19Å; S66-S69 WeakPolarHBondContact OG-CB 3.33Å
67	N	92	Very high	96.9	Very high	111 Å²	111	70.8 Å²	70.8	59%	0.594	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.2	-176.6	-77.4	-19.7	0	0	0	114.3
68	Y	94.2	Very high	96.9	Very high	122 Å²	122	68.4 Å²	68.4	48%	0.478	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	34.7	-176.7	-51.9	-64.5	0	0	0	111.6	N5 F37 S66	N5-Y68 HydrophobicContact CB-CD1 3.79Å; N5-Y68 HydrophobicContact CB-CD2 4.46Å; N5-Y68 HydrophobicContact CB-CE1 4.38Å; N5-Y68 HydrophobicContact CB-CG 3.84Å; N5-Y68 WeakPolarHBondContact ND2-CD1 3.37Å; N5-Y68 WeakPolarHBondContact ND2-CE1 3.39Å; N5-Y68 WeakPolarHBondContact ND2-CE2 3.27Å; F37-Y68 WeakPolarHBondContact CB-O 3.16Å; F37-Y68 HydrophobicContact CD1-CD1 4.47Å; F37-Y68 HydrophobicContact CD2-CD1 4.35Å; F37-Y68 HydrophobicContact CE1-CD1 4.12Å; F37-Y68 AromaticContact CE2-CD1 3.98Å; F37-Y68 HydrophobicContact CE2-CD1 3.98Å; F37-Y68 AromaticContact CZ-CD1 3.86Å; F37-Y68 HydrophobicContact CZ-CD1 3.86Å; F37-Y68 HydrophobicContact CZ-CE1 4.46Å; S66-Y68 PolarHBondContact O-N 2.81Å; S66-Y68 VanDerWaalsContact O-N 3.16Å
69	S	96.4	Very high	96.8	Very high	19 Å²	19	67.9 Å²	67.9	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	122.7	-177.4	-157.7	0	0	0	0	111.2	G35 E65 S66	G35-S69 WeakPolarHBondContact CA-OG 3.39Å; E65-S69 PolarHBondContact N-O 3.33Å; S66-S69 PolarHBondContact N-O 2.89Å; S66-S69 VanDerWaalsContact N-O 3.16Å; S66-S69 PolarHBondContact O-N 3.19Å; S66-S69 WeakPolarHBondContact OG-CB 3.33Å
70	Y	97.9	Very high	96.7	Very high	38 Å²	38	65.5 Å²	65.5	15%	0.149	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	161.2	175.4	-69.4	-84.3	0	0	0	111.3	R34 G35 F36 F37 D39 A62 Y63 K64	R34-Y70 CarbonylContact C-O 3.54Å; G35-Y70 PolarHBondContact N-O 3.25Å; F36-Y70 VanDerWaalsContact CD1-O 3.24Å; F36-Y70 WeakPolarHBondContact CD1-O 3.49Å; F36-Y70 WeakPolarHBondContact CE1-O 3.47Å; F36-Y70 VanDerWaalsContact CE2-CB 3.48Å; F36-Y70 HydrophobicContact CE2-CG 4.44Å; F36-Y70 PolarHBondContact N-O 3.23Å; F36-Y70 PolarHBondContact O-N 3.26Å; F37-Y70 AromaticContact CD2-CD2 3.99Å; F37-Y70 HydrophobicContact CD2-CD2 3.99Å; F37-Y70 AromaticContact CD2-CE2 3.65Å; F37-Y70 HydrophobicContact CD2-CE2 3.65Å; F37-Y70 AromaticContact CE2-CE2 3.97Å; F37-Y70 HydrophobicContact CE2-CE2 3.97Å; D39-Y70 HydrophobicContact CB-CD1 4.02Å; D39-Y70 HydrophobicContact CB-CD2 3.82Å; D39-Y70 HydrophobicContact CB-CE1 4.13Å; D39-Y70 HydrophobicContact CB-CE2 3.9Å; D39-Y70 HydrophobicContact CB-CG 3.87Å; A62-Y70 HydrophobicContact CB-CD1 4.1Å; A62-Y70 HydrophobicContact CB-CG 4.44Å; Y63-Y70 CarbonylContact O-C 3.56Å; Y63-Y70 VanDerWaalsContact O-CA 3.26Å; Y63-Y70 WeakPolarHBondContact O-CA 3.33Å; K64-Y70 HydrophobicContact CB-CD1 3.99Å; K64-Y70 HydrophobicContact CB-CE1 3.72Å; K64-Y70 HydrophobicContact CD-CE1 4.24Å; K64-Y70 HydrophobicContact CG-CD1 4.33Å; K64-Y70 HydrophobicContact CG-CE1 3.89Å
71	C	98.1	Very high	96.7	Very high	16 Å²	16	64.4 Å²	64.4	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.5	179.9	-167.8	0	0	0	0	109.9	L32 A33 R34 A62 Y63 E65	L32-C71 VanDerWaalsContact CD1-SG 3.51Å; A33-C71 CarbonylContact O-C 3.58Å; A33-C71 WeakPolarHBondContact O-CA 3.35Å; R34-C71 HydrophobicContact CB-CB 4.5Å; A62-C71 CarbonylContact C-O 3.56Å; A62-C71 WeakPolarHBondContact CA-O 3.26Å; Y63-C71 PolarHBondContact N-O 3.15Å; Y63-C71 PolarHBondContact O-N 3.21Å; E65-C71 HydrophobicContact CG-CB 3.86Å; E65-C71 WeakPolarHBondContact OE1-CB 3.43Å; E65-C71 PolarHBondContact OE1-SG 3.03Å
72	L	98.3	Very high	96.7	Very high	13 Å²	13	60.1 Å²	60.1	7%	0.068	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	130.4	179.2	-175.9	70.9	0	0	0	108.8	A33 F36 V41 L43 T58 D59	A33-L72 HydrophobicContact CB-CB 4.5Å; A33-L72 PolarHBondContact N-O 3.05Å; A33-L72 PolarHBondContact O-N 3.44Å; F36-L72 HydrophobicContact CE1-CB 4.11Å; F36-L72 HydrophobicContact CZ-CB 3.89Å; V41-L72 HydrophobicContact CG2-CD2 3.89Å; L43-L72 HydrophobicContact CB-CD2 4.11Å; L43-L72 HydrophobicContact CD1-CD2 4.36Å; T58-L72 HydrophobicContact CG2-CD1 4.34Å; T58-L72 HydrophobicContact CG2-CD2 4.24Å; T58-L72 HydrophobicContact CG2-CG 4.35Å; D59-L72 HydrophobicContact CB-CD1 3.99Å
73	S	98.5	Very high	96.7	Very high	15 Å²	15	59.2 Å²	59.2	11%	0.105	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148	175	86.4	0	0	0	0	111.8	C31 D59 R75	C31-S73 WeakPolarHBondContact O-CA 3.26Å; D59-S73 VanDerWaalsContact CG-OG 3.28Å; D59-S73 PolarHBondContact N-O 3.06Å; D59-S73 PolarHBondContact OD1-OG 3.19Å; D59-S73 WeakPolarHBondContact OD2-CB 3.49Å; D59-S73 PolarHBondContact OD2-N 3.21Å; D59-S73 PolarHBondContact OD2-OG 3.34Å; S73-R75 PolarHBondContact OG-NH1 2.96Å; S73-R75 PolarHBondContact OG-NH2 3.38Å; S73-R75 VanDerWaalsContact OG-NH2 3.12Å
74	S	98.8	Very high	96.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.7	172.1	-173.2	0	0	0	0	110.2	C31 W45 S57 T58	C31-S74 PolarHBondContact N-O 3.13Å; C31-S74 PolarHBondContact O-N 2.91Å; W45-S74 PolarHBondContact NE1-OG 2.68Å; S57-S74 WeakPolarHBondContact O-CA 3.47Å; T58-S74 WeakPolarHBondContact OG1-CB 3.23Å; T58-S74 PolarHBondContact OG1-OG 3.43Å
75	R	98.8	Very high	96.5	Very high	97 Å²	97	52.6 Å²	52.6	37%	0.366	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.9	-176.5	-63.8	147.3	-169.2	106.6	2.6	108.9	T28 L29 V30 V56 S57 D59 S73	T28-R75 HydrophobicContact CG2-CB 4.23Å; L29-R75 WeakPolarHBondContact O-CA 3.33Å; V30-R75 HydrophobicContact CG2-CG 4.3Å; V56-R75 CarbonylContact C-O 3.6Å; V56-R75 WeakPolarHBondContact CA-O 3.34Å; S57-R75 PolarHBondContact N-O 2.98Å; S57-R75 PolarHBondContact O-N 3.4Å; D59-R75 IonicContact OD1-CZ 3.94Å; D59-R75 IonicContact OD1-NH1 3.72Å; D59-R75 PolarHBondContact OD1-NH1 3.47Å; D59-R75 IonicContact OD1-NH2 3.83Å; S73-R75 PolarHBondContact OG-NH1 2.96Å; S73-R75 PolarHBondContact OG-NH2 3.38Å; S73-R75 VanDerWaalsContact OG-NH2 3.12Å
76	L	98.8	Very high	96.5	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.2	170.6	171.6	64.7	0	0	0	108.9	T28 L29 W45 V47 V52 V56 V78 F90	T28-L76 WeakPolarHBondContact CA-O 3.49Å; L29-L76 PolarHBondContact N-O 2.97Å; L29-L76 PolarHBondContact O-N 3.49Å; W45-L76 HydrophobicContact CB-CD2 4.41Å; W45-L76 HydrophobicContact CD2-CB 3.55Å; W45-L76 HydrophobicContact CD2-CD2 3.94Å; W45-L76 HydrophobicContact CD2-CG 4.3Å; W45-L76 HydrophobicContact CE3-CB 3.68Å; W45-L76 HydrophobicContact CE3-CD2 3.5Å; W45-L76 VanDerWaalsContact CE3-CD2 3.5Å; W45-L76 HydrophobicContact CE3-CG 4.22Å; W45-L76 HydrophobicContact CG-CB 4.14Å; W45-L76 HydrophobicContact CG-CD2 4.35Å; W45-L76 HydrophobicContact CH2-CB 3.87Å; W45-L76 HydrophobicContact CZ2-CB 3.76Å; W45-L76 HydrophobicContact CZ3-CB 3.83Å; W45-L76 HydrophobicContact CZ3-CD2 4.02Å; V47-L76 HydrophobicContact CG2-CD2 3.93Å; V52-L76 HydrophobicContact CG2-CD1 4.19Å; V52-L76 HydrophobicContact CG2-CD2 4.47Å; V56-L76 HydrophobicContact CG2-CD1 3.83Å; L76-V78 HydrophobicContact CD1-CG1 4.29Å; L76-V78 HydrophobicContact CD2-CG1 4.44Å; L76-V78 HydrophobicContact CG-CG1 4.12Å; L76-F90 HydrophobicContact CD2-CD1 4.11Å
77	R	98.6	Very high	96.5	Very high	120 Å²	120	55.4 Å²	55.4	45%	0.453	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.2	180	-164.1	171.2	-164.3	-159.8	-2.8	111.7	E20 A27 G55	E20-R77 IonicContact OE1-NE 2.68Å; E20-R77 IonicContact OE1-NH2 3.98Å; A27-R77 WeakPolarHBondContact O-CA 3.32Å; G55-R77 PolarHBondContact O-N 2.83Å
78	V	98.3	Very high	96.8	Very high	21 Å²	21	50.5 Å²	50.5	13%	0.127	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	173.7	-179.3	-61.3	0	0	0	0	111.6	A27 L29 L76 F82 W83 F90	A27-V78 HydrophobicContact CB-CG2 4Å; A27-V78 PolarHBondContact N-O 3.17Å; A27-V78 PolarHBondContact O-N 3.33Å; L29-V78 HydrophobicContact CD1-CG2 4.24Å; L76-V78 HydrophobicContact CD1-CG1 4.29Å; L76-V78 HydrophobicContact CD2-CG1 4.44Å; L76-V78 HydrophobicContact CG-CG1 4.12Å; V78-F82 HydrophobicContact CB-CD1 4.2Å; V78-F82 HydrophobicContact CG1-CD1 4.28Å; V78-F82 HydrophobicContact CG2-CD1 4.44Å; V78-W83 HydrophobicContact CG2-CB 4.2Å; V78-F90 HydrophobicContact CG1-CE1 4.39Å; V78-F90 HydrophobicContact CG2-CE1 4.46Å
79	S	97.6	Very high	97	Very high	41 Å²	41	46.2 Å²	46.2	29%	0.287	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	150.1	170.5	67.8	0	0	0	0	111.1	T81 F82 W83	S79-T81 VanDerWaalsContact C-N 3.27Å; S79-T81 PolarHBondContact O-N 3.43Å; S79-T81 PolarHBondContact OG-OG1 2.86Å; S79-F82 PolarHBondContact O-N 3.19Å; S79-F82 VanDerWaalsContact O-N 3.15Å; S79-F82 VanDerWaalsContact OG-CB 3.26Å; S79-F82 WeakPolarHBondContact OG-CB 3.49Å; S79-F82 PolarHBondContact OG-N 3.45Å; S79-W83 PolarHBondContact O-N 3.5Å; S79-W83 VanDerWaalsContact O-N 3.08Å
80	A	96	Very high	97.1	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-42.2	174.2	0	0	0	0	0	112.2	I21 Q25 F82 W83 H84	I21-A80 HydrophobicContact CG2-CB 3.87Å; Q25-A80 WeakPolarHBondContact O-CB 3.33Å; Q25-A80 PolarHBondContact O-N 3.27Å; A80-F82 VanDerWaalsContact C-N 3.28Å; A80-F82 PolarHBondContact O-N 3.02Å; A80-W83 PolarHBondContact O-N 3.37Å; A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-CD2 3.08Å; A80-H84 PolarHBondContact O-N 2.97Å
81	T	94.8	Very high	97.1	Very high	112 Å²	112	46.3 Å²	46.3	69%	0.687	22%	0.22	S	C	*	.	H	α-helix	trans	-60.2	-36.5	177.8	51.8	0	0	0	0	113	S79	S79-T81 VanDerWaalsContact C-N 3.27Å; S79-T81 PolarHBondContact O-N 3.43Å; S79-T81 PolarHBondContact OG-OG1 2.86Å
82	F	96.8	Very high	97.2	Very high	74 Å²	74	45.6 Å²	45.6	33%	0.325	22%	0.215	S	C	.	.	H	α-helix	trans	-73.9	-41.7	178.3	-168.6	-100.6	0	0	0	111.3	V47 V78 S79 A80 H84 N85 N88 F90	V47-F82 HydrophobicContact CG1-CE1 3.6Å; V47-F82 HydrophobicContact CG1-CZ 3.65Å; V78-F82 HydrophobicContact CB-CD1 4.2Å; V78-F82 HydrophobicContact CG1-CD1 4.28Å; V78-F82 HydrophobicContact CG2-CD1 4.44Å; S79-F82 PolarHBondContact O-N 3.19Å; S79-F82 VanDerWaalsContact O-N 3.15Å; S79-F82 VanDerWaalsContact OG-CB 3.26Å; S79-F82 WeakPolarHBondContact OG-CB 3.49Å; S79-F82 PolarHBondContact OG-N 3.45Å; A80-F82 VanDerWaalsContact C-N 3.28Å; A80-F82 PolarHBondContact O-N 3.02Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 3.36Å; F82-N85 PolarHBondContact O-N 3.39Å; F82-N88 VanDerWaalsContact CD2-ND2 3.33Å; F82-N88 WeakPolarHBondContact CD2-ND2 3.47Å; F82-N88 HydrophobicContact CE1-CB 4.49Å; F82-N88 VanDerWaalsContact CE2-ND2 3.26Å; F82-N88 WeakPolarHBondContact CE2-ND2 3.48Å; F82-N88 WeakPolarHBondContact CZ-ND2 3.44Å; F82-N88 PolarHBondContact O-ND2 3.5Å; F82-F90 HydrophobicContact CD1-CE1 4.05Å; F82-F90 AromaticContact CD1-CZ 3.82Å; F82-F90 HydrophobicContact CD1-CZ 3.82Å; F82-F90 AromaticContact CE1-CE1 3.81Å; F82-F90 HydrophobicContact CE1-CE1 3.81Å; F82-F90 AromaticContact CE1-CZ 3.77Å; F82-F90 HydrophobicContact CE1-CZ 3.77Å
83	W	96.6	Very high	97.2	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-40	173	169.6	-108.6	0	0	0	112.7	E15 P16 A27 L29 V78 S79 A80 N85 F90 W122 G123 R124	E15-W83 HydrophobicContact CB-CH2 4.14Å; E15-W83 HydrophobicContact CB-CZ2 4.04Å; E15-W83 HydrophobicContact CG-CH2 3.81Å; E15-W83 HydrophobicContact CG-CZ2 4.08Å; P16-W83 HydrophobicContact CG-CD2 3.88Å; P16-W83 HydrophobicContact CG-CE3 4.29Å; P16-W83 HydrophobicContact CG-CG 4.21Å; P16-W83 HydrophobicContact CG-CZ2 4.34Å; A27-W83 HydrophobicContact CB-CB 3.58Å; A27-W83 HydrophobicContact CB-CG 3.87Å; L29-W83 HydrophobicContact CD1-CE3 4.3Å; L29-W83 HydrophobicContact CD2-CE3 4.39Å; L29-W83 HydrophobicContact CD2-CZ3 3.89Å; L29-W83 HydrophobicContact CG-CZ3 4.41Å; V78-W83 HydrophobicContact CG2-CB 4.2Å; S79-W83 PolarHBondContact O-N 3.5Å; S79-W83 VanDerWaalsContact O-N 3.08Å; A80-W83 PolarHBondContact O-N 3.37Å; W83-N85 PolarHBondContact O-N 3.5Å; W83-F90 HydrophobicContact CE3-CD2 4.11Å; W83-F90 AromaticContact CE3-CE2 3.67Å; W83-F90 HydrophobicContact CE3-CE2 3.67Å; W83-F90 HydrophobicContact CE3-CZ 4.07Å; W83-F90 AromaticContact CZ3-CD2 3.89Å; W83-F90 HydrophobicContact CZ3-CD2 3.89Å; W83-F90 AromaticContact CZ3-CE2 3.91Å; W83-F90 HydrophobicContact CZ3-CE2 3.91Å; W83-W122 WeakPolarHBondContact CH2-O 3.36Å; W83-G123 CarbonylContact O-C 3.36Å; W83-G123 WeakPolarHBondContact O-CA 3.47Å; W83-R124 HydrophobicContact CZ2-CB 3.99Å; W83-R124 PolarHBondContact NE1-O 2.93Å; W83-R124 PolarHBondContact O-N 2.99Å
84	H	94.9	Very high	97.2	Very high	66 Å²	66	45.6 Å²	45.6	31%	0.306	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9.4	-177.1	-75.7	-39.9	0	0	0	115.1	I21 A80 F82 P86 R124 A125	I21-H84 WeakPolarHBondContact CG2-NE2 3.36Å; A80-H84 WeakPolarHBondContact O-CB 3.46Å; A80-H84 PolarHBondContact O-CD2 3.08Å; A80-H84 PolarHBondContact O-N 2.97Å; F82-H84 VanDerWaalsContact C-N 3.34Å; F82-H84 PolarHBondContact O-N 3.36Å; H84-P86 WeakPolarHBondContact O-CD 3.37Å; H84-R124 PolarHBondContact ND1-O 3.42Å; H84-A125 HydrophobicContact CB-CB 4.21Å
85	N	93.9	Very high	97.2	Very high	61 Å²	61	47.8 Å²	47.8	33%	0.326	22%	0.223	S	C	.	.			trans	-78.7	112.1	175	-178.1	-4.9	0	0	0	110.1	F82 W83 R87 N88	F82-N85 PolarHBondContact O-N 3.39Å; W83-N85 PolarHBondContact O-N 3.5Å; N85-R87 PolarHBondContact O-N 2.88Å; N85-R87 WeakPolarHBondContact OD1-CB 3.34Å; N85-R87 PolarHBondContact OD1-N 2.9Å; N85-R87 VanDerWaalsContact OD1-N 3.07Å; N85-N88 PolarHBondContact O-N 3.28Å
86	P	93.7	Very high	97.1	Very high	46 Å²	46	43.1 Å²	43.1	30%	0.299	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.2	-176.1	-17.3	32.9	0	0	0	114.9	H84 G123 T130	H84-P86 WeakPolarHBondContact O-CD 3.37Å; P86-G123 VanDerWaalsContact CA-O 3.27Å; P86-G123 WeakPolarHBondContact CA-O 3.13Å; P86-T130 HydrophobicContact CG-CG2 4.4Å
87	R	94	Very high	97	Very high	178 Å²	178	46.4 Å²	46.4	67%	0.672	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.4	175.4	-58.1	-178.7	-176.6	-179.2	-1.4	113	N85	N85-R87 PolarHBondContact O-N 2.88Å; N85-R87 WeakPolarHBondContact OD1-CB 3.34Å; N85-R87 PolarHBondContact OD1-N 2.9Å; N85-R87 VanDerWaalsContact OD1-N 3.07Å
88	N	97.5	Very high	96.9	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.048	21%	0.209	C	C	.	.			trans	-78.8	128.6	179.6	-75.9	-26.2	0	0	0	110.1	N48 F82 N85 F90 W122 G123	N48-N88 PolarHBondContact ND2-OD1 2.93Å; N48-N88 WeakPolarHBondContact OD1-CA 2.99Å; F82-N88 VanDerWaalsContact CD2-ND2 3.33Å; F82-N88 WeakPolarHBondContact CD2-ND2 3.47Å; F82-N88 HydrophobicContact CE1-CB 4.49Å; F82-N88 VanDerWaalsContact CE2-ND2 3.26Å; F82-N88 WeakPolarHBondContact CE2-ND2 3.48Å; F82-N88 WeakPolarHBondContact CZ-ND2 3.44Å; F82-N88 PolarHBondContact O-ND2 3.5Å; N85-N88 PolarHBondContact O-N 3.28Å; N88-F90 HydrophobicContact CB-CE2 3.72Å; N88-F90 HydrophobicContact CB-CZ 4Å; N88-W122 WeakPolarHBondContact O-CA 2.98Å; N88-G123 PolarHBondContact O-N 3.32Å
89	H	98.4	Very high	96.6	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.148	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.5	177	-179.7	-111.1	0	0	0	109.4	V47 N48 E120 W122	V47-H89 WeakPolarHBondContact CA-O 3.36Å; N48-H89 PolarHBondContact N-O 3.2Å; N48-H89 PolarHBondContact OD1-N 3.13Å; H89-E120 IonicContact CE1-OE1 3.76Å; H89-E120 IonicContact CE1-OE2 3.46Å; H89-E120 PolarHBondContact CE1-OE2 2.99Å; H89-E120 VanDerWaalsContact NE2-CD 3.3Å; H89-E120 IonicContact NE2-OE1 2.74Å; H89-E120 IonicContact NE2-OE2 3.77Å; H89-E120 PolarHBondContact NE2-OE2 2.96Å; H89-W122 HydrophobicContact CB-CE3 4.01Å; H89-W122 HydrophobicContact CB-CH2 4.01Å; H89-W122 HydrophobicContact CB-CZ3 3.72Å; H89-W122 AromaticContact CD2-CD2 3.98Å; H89-W122 AromaticContact CD2-CE2 3.59Å; H89-W122 AromaticContact CD2-CH2 3.86Å; H89-W122 AromaticContact CD2-CZ2 3.54Å
90	F	98.8	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.5	179	-58.3	-94.1	0	0	0	108.6	L29 V47 L76 V78 F82 W83 N88 E120 A121	L29-F90 HydrophobicContact CD1-CD1 4.23Å; L29-F90 HydrophobicContact CD1-CE1 4.34Å; L29-F90 HydrophobicContact CD2-CB 3.94Å; L29-F90 HydrophobicContact CD2-CD1 4.21Å; L29-F90 HydrophobicContact CD2-CG 3.99Å; V47-F90 HydrophobicContact CG1-CE1 4.36Å; V47-F90 HydrophobicContact CG2-CD1 3.96Å; V47-F90 HydrophobicContact CG2-CE1 4.31Å; L76-F90 HydrophobicContact CD2-CD1 4.11Å; V78-F90 HydrophobicContact CG1-CE1 4.39Å; V78-F90 HydrophobicContact CG2-CE1 4.46Å; F82-F90 HydrophobicContact CD1-CE1 4.05Å; F82-F90 AromaticContact CD1-CZ 3.82Å; F82-F90 HydrophobicContact CD1-CZ 3.82Å; F82-F90 AromaticContact CE1-CE1 3.81Å; F82-F90 HydrophobicContact CE1-CE1 3.81Å; F82-F90 AromaticContact CE1-CZ 3.77Å; F82-F90 HydrophobicContact CE1-CZ 3.77Å; W83-F90 HydrophobicContact CE3-CD2 4.11Å; W83-F90 AromaticContact CE3-CE2 3.67Å; W83-F90 HydrophobicContact CE3-CE2 3.67Å; W83-F90 HydrophobicContact CE3-CZ 4.07Å; W83-F90 AromaticContact CZ3-CD2 3.89Å; W83-F90 HydrophobicContact CZ3-CD2 3.89Å; W83-F90 AromaticContact CZ3-CE2 3.91Å; W83-F90 HydrophobicContact CZ3-CE2 3.91Å; N88-F90 HydrophobicContact CB-CE2 3.72Å; N88-F90 HydrophobicContact CB-CZ 4Å; F90-E120 CarbonylContact O-C 3.49Å; F90-E120 VanDerWaalsContact O-CA 3.28Å; F90-E120 WeakPolarHBondContact O-CA 3.3Å; F90-A121 PolarHBondContact N-O 2.92Å; F90-A121 PolarHBondContact O-N 2.87Å
91	R	98.8	Very high	96	Very high	59 Å²	59	48.9 Å²	48.9	22%	0.223	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.9	177	174.4	-178.2	82.4	177.1	6.5	109.8	W46 A119 E120	W46-R91 HydrophobicContact CB-CB 4.09Å; W46-R91 PolarHBondContact N-O 3.41Å; W46-R91 PolarHBondContact O-N 3.23Å; R91-A119 WeakPolarHBondContact CA-O 3.4Å; R91-E120 HydrophobicContact CB-CG 4.1Å; R91-E120 HydrophobicContact CG-CG 4Å
92	C	98.8	Very high	95.8	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.5	162.2	176.8	0	0	0	0	108.2	L13 C31 W45 S118 A119	L13-C92 HydrophobicContact CD1-CB 4.44Å; C31-C92 HydrophobicContact CB-CB 3.59Å; C31-C92 WeakPolarHBondContact CB-SG 2.85Å; C31-C92 WeakPolarHBondContact SG-CB 3.28Å; C31-C92 CovalentContact SG-SG 2.02Å; C31-C92 PolarHBondContact SG-SG 3.4Å; W45-C92 HydrophobicContact CE3-CB 4.43Å; W45-C92 HydrophobicContact CZ3-CB 4.32Å; C92-S118 CarbonylContact O-C 3.54Å; C92-S118 WeakPolarHBondContact O-CA 3.27Å; C92-S118 WeakPolarHBondContact O-CB 3.31Å; C92-A119 PolarHBondContact N-O 3.34Å; C92-A119 PolarHBondContact O-N 2.87Å
93	Q	98.7	Very high	95.5	Very high	29 Å²	29	51 Å²	51	14%	0.136	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.5	178.3	-178.1	176.7	-56.1	0	0	109.8	L43 S44 N116	L43-Q93 CarbonylContact C-O 3.57Å; L43-Q93 WeakPolarHBondContact CA-O 3.39Å; S44-Q93 PolarHBondContact N-O 3.04Å; S44-Q93 PolarHBondContact O-N 3.43Å; Q93-N116 HydrophobicContact CG-CB 4.34Å; Q93-N116 PolarHBondContact NE2-OD1 3.27Å
94	V	98.6	Very high	95.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.9	175.6	-175.3	0	0	0	0	108.3	P9 V11 A33 V41 E42 L43 F96 I117	P9-V94 HydrophobicContact CB-CG1 4.5Å; P9-V94 HydrophobicContact CG-CB 4.36Å; P9-V94 HydrophobicContact CG-CG1 3.76Å; V11-V94 HydrophobicContact CG1-CG2 4.21Å; V11-V94 HydrophobicContact CG2-CB 3.92Å; V11-V94 HydrophobicContact CG2-CG2 3.57Å; A33-V94 HydrophobicContact CB-CG1 4.47Å; A33-V94 HydrophobicContact CB-CG2 3.91Å; V41-V94 HydrophobicContact CB-CG1 3.86Å; V41-V94 HydrophobicContact CG1-CG1 4Å; E42-V94 CarbonylContact O-C 3.59Å; E42-V94 VanDerWaalsContact O-CA 3.3Å; E42-V94 WeakPolarHBondContact O-CA 3.34Å; L43-V94 HydrophobicContact CB-CG2 4.5Å; L43-V94 HydrophobicContact CD1-CG2 4.24Å; L43-V94 HydrophobicContact CG-CG2 4.1Å; V94-F96 PolarHBondContact O-N 3.18Å; V94-I117 PolarHBondContact N-O 2.98Å; V94-I117 PolarHBondContact O-N 2.93Å
95	Q	98.3	Very high	94.9	Very high	45 Å²	45	59.7 Å²	59.7	21%	0.21	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	113.3	168.6	-179.9	66.3	69.8	0	0	107.3	V41 E42 Q115 N116	V41-Q95 CarbonylContact C-O 3.54Å; V41-Q95 VanDerWaalsContact CA-O 3.27Å; V41-Q95 WeakPolarHBondContact CA-O 3.38Å; E42-Q95 HydrophobicContact CB-CB 4.25Å; E42-Q95 PolarHBondContact N-O 3Å; E42-Q95 PolarHBondContact O-N 2.72Å; Q95-Q115 PolarHBondContact NE2-O 2.99Å; Q95-N116 VanDerWaalsContact CA-OD1 3.31Å; Q95-N116 WeakPolarHBondContact CA-OD1 3.32Å; Q95-N116 WeakPolarHBondContact CB-OD1 3.36Å; Q95-N116 VanDerWaalsContact CD-OD1 3.26Å; Q95-N116 PolarHBondContact OE1-ND2 3.04Å; Q95-N116 PolarHBondContact OE1-OD1 3.43Å
96	F	98	Very high	94.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.8	176.1	173.2	-110.8	0	0	0	109.5	V6 T7 P8 P9 F36 V41 V94 G98 T114 Q115 I117	V6-F96 HydrophobicContact CG1-CE1 4.23Å; V6-F96 HydrophobicContact CG1-CZ 3.77Å; T7-F96 WeakPolarHBondContact O-CE2 3.26Å; T7-F96 WeakPolarHBondContact O-CZ 3.13Å; P8-F96 HydrophobicContact CB-CD1 3.94Å; P8-F96 HydrophobicContact CB-CE1 4.03Å; P8-F96 HydrophobicContact CB-CG 4.44Å; P9-F96 HydrophobicContact CG-CB 4.21Å; F36-F96 HydrophobicContact CB-CE2 4.44Å; V41-F96 HydrophobicContact CG1-CD2 3.88Å; V94-F96 PolarHBondContact O-N 3.18Å; F96-G98 VanDerWaalsContact CE1-CA 3.45Å; F96-T114 VanDerWaalsContact O-CA 3.25Å; F96-T114 WeakPolarHBondContact O-CA 3.12Å; F96-T114 WeakPolarHBondContact O-CG2 3.32Å; F96-Q115 PolarHBondContact N-O 3.03Å; F96-Q115 PolarHBondContact O-N 3.41Å; F96-Q115 VanDerWaalsContact O-N 3.08Å; F96-I117 HydrophobicContact CB-CD1 4.12Å
97	H	96.8	Very high	94	Very high	71 Å²	71	67.3 Å²	67.3	33%	0.329	32%	0.318	S	S	.	.			trans	-99.5	91.5	175.6	-62	-85.6	0	0	0	109.7	H40	H40-H97 HydrophobicContact CB-CB 3.9Å; H40-H97 PolarHBondContact O-N 3.41Å
98	G	94.8	Very high	93.6	Very high	22 Å²	22	63.1 Å²	63.1	23%	0.227	33%	0.33	C	S	.	.			trans	-94.2	-148.9	-177.1	0	0	0	0	0	113	F96 P112 T114	F96-G98 VanDerWaalsContact CE1-CA 3.45Å; G98-P112 WeakPolarHBondContact CA-O 3.32Å; G98-T114 PolarHBondContact N-OG1 3.25Å
99	L	93.9	Very high	93	Very high	9 Å²	9	65 Å²	65	5%	0.047	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-71.3	150.3	177.4	-59.1	-177.6	0	0	0	112.1	L3 V6 D103 W105 K111 P112 V113	L3-L99 HydrophobicContact CB-CD2 4.42Å; L3-L99 HydrophobicContact CD2-CD2 3.7Å; L3-L99 HydrophobicContact CG-CD2 4.46Å; V6-L99 HydrophobicContact CB-CD2 4.38Å; V6-L99 HydrophobicContact CB-CG 4.37Å; V6-L99 HydrophobicContact CG1-CD2 4.43Å; V6-L99 HydrophobicContact CG1-CG 4.21Å; V6-L99 HydrophobicContact CG2-CD2 3.88Å; V6-L99 HydrophobicContact CG2-CG 4.4Å; L99-D103 WeakPolarHBondContact CA-OD2 3.32Å; L99-D103 HydrophobicContact CB-CB 4.08Å; L99-D103 WeakPolarHBondContact CB-OD2 3.44Å; L99-D103 HydrophobicContact CD1-CB 4.49Å; L99-D103 HydrophobicContact CD2-CB 4.27Å; L99-W105 HydrophobicContact CD1-CD2 4.13Å; L99-W105 HydrophobicContact CD1-CE3 3.51Å; L99-W105 HydrophobicContact CD1-CZ3 3.88Å; L99-K111 HydrophobicContact CB-CG 4.39Å; L99-K111 HydrophobicContact CD1-CG 4.13Å; L99-P112 HydrophobicContact CD1-CG 3.95Å; L99-P112 HydrophobicContact CG-CG 4.22Å; L99-P112 PolarHBondContact N-O 2.91Å; L99-V113 WeakPolarHBondContact O-CA 3.13Å
100	S	91.6	Very high	92.6	Very high	47 Å²	47	69.5 Å²	69.5	33%	0.329	38%	0.376	S	S	.	.			trans	-88.5	169	170.1	79.6	0	0	0	0	110.9	E102 D103 K111	S100-E102 PolarHBondContact O-N 2.98Å; S100-E102 PolarHBondContact OG-N 3.15Å; S100-D103 PolarHBondContact N-OD2 3.01Å; S100-D103 PolarHBondContact O-N 2.87Å; S100-D103 PolarHBondContact OG-OD2 3.23Å; S100-K111 WeakPolarHBondContact O-CE 3.24Å; S100-K111 PolarHBondContact O-NZ 3.22Å
101	E	88.1	Confident	92.3	Very high	160 Å²	160	71.9 Å²	71.9	75%	0.748	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.3	174.8	-69.3	-57.7	138.8	0	0	112.8	D103 K111	E101-D103 VanDerWaalsContact C-N 3.3Å; E101-D103 PolarHBondContact O-N 3.08Å; E101-K111 PolarHBondContact O-NZ 3.03Å
102	E	90.1	Very high	92.1	Very high	177 Å²	177	69.5 Å²	69.5	83%	0.827	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.6	-176.2	-51.9	168.4	-127	0	0	112.9	S100 K104	S100-E102 PolarHBondContact O-N 2.98Å; S100-E102 PolarHBondContact OG-N 3.15Å; E102-K104 PolarHBondContact O-N 3.33Å
103	D	91.1	Very high	92	Very high	53 Å²	53	71.6 Å²	71.6	28%	0.283	39%	0.391	S	S	.	.	S	Bend	trans	-68.5	127.3	-178.2	-70.5	-44	0	0	0	111.9	L3 L99 S100 E101 W105 K111	L3-D103 HydrophobicContact CD1-CB 4.35Å; L99-D103 WeakPolarHBondContact CA-OD2 3.32Å; L99-D103 HydrophobicContact CB-CB 4.08Å; L99-D103 WeakPolarHBondContact CB-OD2 3.44Å; L99-D103 HydrophobicContact CD1-CB 4.49Å; L99-D103 HydrophobicContact CD2-CB 4.27Å; S100-D103 PolarHBondContact N-OD2 3.01Å; S100-D103 PolarHBondContact O-N 2.87Å; S100-D103 PolarHBondContact OG-OD2 3.23Å; E101-D103 VanDerWaalsContact C-N 3.3Å; E101-D103 PolarHBondContact O-N 3.08Å; D103-W105 PolarHBondContact O-N 3.48Å; D103-K111 WeakPolarHBondContact O-CE 3.21Å; D103-K111 PolarHBondContact O-NZ 3Å
104	K	89.5	Confident	91.8	Very high	197 Å²	197	73.6 Å²	73.6	86%	0.857	41%	0.406	S	S	*	.			trans	-67.3	123.6	176	-71.3	-176.6	179.8	-179.8	0	110.7	E102	E102-K104 PolarHBondContact O-N 3.33Å
105	W	89	Confident	91.7	Very high	58 Å²	58	77.2 Å²	77.2	22%	0.22	42%	0.422	C	S	.	.			trans	-131.3	145.4	179.5	-167.2	-108.3	0	0	0	111.1	L3 L99 D103 E107 S109 P110 K111 P112	L3-W105 HydrophobicContact CB-CZ3 4.34Å; L3-W105 WeakPolarHBondContact O-CZ3 3.48Å; L99-W105 HydrophobicContact CD1-CD2 4.13Å; L99-W105 HydrophobicContact CD1-CE3 3.51Å; L99-W105 HydrophobicContact CD1-CZ3 3.88Å; D103-W105 PolarHBondContact O-N 3.48Å; W105-E107 PolarHBondContact O-N 3.44Å; W105-S109 PolarHBondContact NE1-O 2.95Å; W105-S109 PolarHBondContact NE1-OG 3.02Å; W105-P110 PolarHBondContact NE1-O 3.31Å; W105-K111 HydrophobicContact CB-CB 4.5Å; W105-K111 HydrophobicContact CB-CD 3.91Å; W105-K111 HydrophobicContact CB-CG 3.99Å; W105-K111 HydrophobicContact CD2-CG 4.33Å; W105-K111 HydrophobicContact CG-CB 4.03Å; W105-K111 HydrophobicContact CG-CD 4.28Å; W105-K111 HydrophobicContact CG-CG 3.82Å; W105-P112 HydrophobicContact CH2-CG 4.18Å; W105-P112 HydrophobicContact CZ2-CG 4.27Å
106	P	86.3	Confident	91.7	Very high	67 Å²	67	79 Å²	79	44%	0.435	43%	0.433	S	S	.	.			trans	-60.2	126.8	176.8	-22.5	34.2	0	0	0	112.4	S109	P106-S109 PolarHBondContact O-N 3.01Å; P106-S109 PolarHBondContact O-OG 3.07Å
107	E	83.2	Confident	91.7	Very high	200 Å²	200	80.7 Å²	80.7	94%	0.935	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	143.2	174.5	-83	-179.2	-177.2	0	0	111.7	W105 S109	W105-E107 PolarHBondContact O-N 3.44Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.44Å
108	G	85.3	Confident	91.8	Very high	91 Å²	91	80 Å²	80	94%	0.938	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-4.9	179.7	0	0	0	0	0	115.4
109	S	86.1	Confident	91.9	Very high	49 Å²	49	79.8 Å²	79.8	34%	0.343	44%	0.441	S	S	.	.	S	Bend	trans	-109.6	140.8	173.6	64.5	0	0	0	0	111.8	W105 P106 E107 K111	W105-S109 PolarHBondContact NE1-O 2.95Å; W105-S109 PolarHBondContact NE1-OG 3.02Å; P106-S109 PolarHBondContact O-N 3.01Å; P106-S109 PolarHBondContact O-OG 3.07Å; E107-S109 VanDerWaalsContact C-N 3.32Å; E107-S109 PolarHBondContact O-N 3.44Å; S109-K111 PolarHBondContact O-N 3.05Å
110	P	89.9	Confident	92.2	Very high	125 Å²	125	84.5 Å²	84.5	81%	0.812	46%	0.463	S	S	*	.			trans	-59.5	121.5	176.4	-21.9	32.2	0	0	0	110.7	W105	W105-P110 PolarHBondContact NE1-O 3.31Å
111	K	92.2	Very high	92.5	Very high	51 Å²	51	82.7 Å²	82.7	22%	0.222	45%	0.451	C	S	.	.			trans	-76	126.1	178.3	-172.4	173.8	175.1	173.4	0	109.8	L99 S100 E101 D103 W105 S109 V113	L99-K111 HydrophobicContact CB-CG 4.39Å; L99-K111 HydrophobicContact CD1-CG 4.13Å; S100-K111 WeakPolarHBondContact O-CE 3.24Å; S100-K111 PolarHBondContact O-NZ 3.22Å; E101-K111 PolarHBondContact O-NZ 3.03Å; D103-K111 WeakPolarHBondContact O-CE 3.21Å; D103-K111 PolarHBondContact O-NZ 3Å; W105-K111 HydrophobicContact CB-CB 4.5Å; W105-K111 HydrophobicContact CB-CD 3.91Å; W105-K111 HydrophobicContact CB-CG 3.99Å; W105-K111 HydrophobicContact CD2-CG 4.33Å; W105-K111 HydrophobicContact CG-CB 4.03Å; W105-K111 HydrophobicContact CG-CD 4.28Å; W105-K111 HydrophobicContact CG-CG 3.82Å; S109-K111 PolarHBondContact O-N 3.05Å; K111-V113 VanDerWaalsContact C-N 3.25Å; K111-V113 HydrophobicContact CB-CG1 4.2Å; K111-V113 HydrophobicContact CD-CG1 4.05Å; K111-V113 HydrophobicContact CG-CG1 3.85Å; K111-V113 PolarHBondContact O-N 2.96Å
112	P	94.3	Very high	92.9	Very high	9 Å²	9	82.1 Å²	82.1	6%	0.058	44%	0.442	C	S	.	.			trans	-78.6	74.8	-179.4	33.3	-37.4	0	0	0	110.6	V6 G98 L99 W105	V6-P112 HydrophobicContact CB-CG 3.83Å; V6-P112 HydrophobicContact CG1-CB 3.96Å; V6-P112 HydrophobicContact CG1-CG 3.7Å; V6-P112 WeakPolarHBondContact O-CG 3.32Å; G98-P112 WeakPolarHBondContact CA-O 3.32Å; L99-P112 HydrophobicContact CD1-CG 3.95Å; L99-P112 HydrophobicContact CG-CG 4.22Å; L99-P112 PolarHBondContact N-O 2.91Å; W105-P112 HydrophobicContact CH2-CG 4.18Å; W105-P112 HydrophobicContact CZ2-CG 4.27Å
113	V	95.4	Very high	93.2	Very high	44 Å²	44	73.9 Å²	73.9	27%	0.267	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-77.8	170.4	-179.8	-62.3	0	0	0	0	112.4	L99 K111 Q115	L99-V113 WeakPolarHBondContact O-CA 3.13Å; K111-V113 VanDerWaalsContact C-N 3.25Å; K111-V113 HydrophobicContact CB-CG1 4.2Å; K111-V113 HydrophobicContact CD-CG1 4.05Å; K111-V113 HydrophobicContact CG-CG1 3.85Å; K111-V113 PolarHBondContact O-N 2.96Å; V113-Q115 PolarHBondContact O-N 3.32Å
114	T	96.1	Very high	93.1	Very high	71 Å²	71	77.9 Å²	77.9	44%	0.436	42%	0.416	S	S	.	.	S	Bend	trans	-58.3	124.3	169.6	-65.4	0	0	0	0	110.9	F96 G98	F96-T114 VanDerWaalsContact O-CA 3.25Å; F96-T114 WeakPolarHBondContact O-CA 3.12Å; F96-T114 WeakPolarHBondContact O-CG2 3.32Å; G98-T114 PolarHBondContact N-OG1 3.25Å
115	Q	96.3	Very high	93	Very high	75 Å²	75	69.8 Å²	69.8	35%	0.35	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	161.7	-175.3	63	-177.2	-28.1	0	0	112.5	P8 Q95 F96 V113 I117	P8-Q115 VanDerWaalsContact CB-NE2 3.3Å; Q95-Q115 PolarHBondContact NE2-O 2.99Å; F96-Q115 PolarHBondContact N-O 3.03Å; F96-Q115 PolarHBondContact O-N 3.41Å; F96-Q115 VanDerWaalsContact O-N 3.08Å; V113-Q115 PolarHBondContact O-N 3.32Å; Q115-I117 HydrophobicContact CG-CD1 3.79Å; Q115-I117 HydrophobicContact CG-CG1 4.13Å
116	N	97.2	Very high	92.3	Very high	82 Å²	82	71 Å²	71	44%	0.439	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	120	172.8	-82.1	-49.9	0	0	0	110.3	Q93 Q95	Q93-N116 HydrophobicContact CG-CB 4.34Å; Q93-N116 PolarHBondContact NE2-OD1 3.27Å; Q95-N116 VanDerWaalsContact CA-OD1 3.31Å; Q95-N116 WeakPolarHBondContact CA-OD1 3.32Å; Q95-N116 WeakPolarHBondContact CB-OD1 3.36Å; Q95-N116 VanDerWaalsContact CD-OD1 3.26Å; Q95-N116 PolarHBondContact OE1-ND2 3.04Å; Q95-N116 PolarHBondContact OE1-OD1 3.43Å
117	I	98.1	Very high	91.8	Very high	37 Å²	37	73.2 Å²	73.2	19%	0.19	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.2	174.8	-56.2	123.6	0	0	0	108.2	P8 P9 V11 V94 F96 Q115	P8-I117 HydrophobicContact CB-CD1 3.93Å; P9-I117 HydrophobicContact CG-CD1 3.72Å; V11-I117 HydrophobicContact CB-CG2 4.15Å; V11-I117 HydrophobicContact CG2-CB 3.99Å; V11-I117 HydrophobicContact CG2-CG2 3.61Å; V94-I117 PolarHBondContact N-O 2.98Å; V94-I117 PolarHBondContact O-N 2.93Å; F96-I117 HydrophobicContact CB-CD1 4.12Å; Q115-I117 HydrophobicContact CG-CD1 3.79Å; Q115-I117 HydrophobicContact CG-CG1 4.13Å
118	S	98.4	Very high	91.3	Very high	56 Å²	56	67 Å²	67	39%	0.392	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	158.6	-176	60.6	0	0	0	0	113	C92	C92-S118 CarbonylContact O-C 3.54Å; C92-S118 WeakPolarHBondContact O-CA 3.27Å; C92-S118 WeakPolarHBondContact O-CB 3.31Å
119	A	98.6	Very high	90.7	Very high	17 Å²	17	69.8 Å²	69.8	14%	0.14	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	141.1	168.3	0	0	0	0	0	108.8	V11 L13 R91 C92	V11-A119 HydrophobicContact CB-CB 4.41Å; V11-A119 HydrophobicContact CG1-CB 3.82Å; L13-A119 HydrophobicContact CB-CB 3.73Å; R91-A119 WeakPolarHBondContact CA-O 3.4Å; C92-A119 PolarHBondContact N-O 3.34Å; C92-A119 PolarHBondContact O-N 2.87Å
120	E	98.5	Very high	90.4	Very high	108 Å²	108	69.1 Å²	69.1	51%	0.505	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	150.5	-169.6	-56.9	-172.2	169.8	0	0	111.5	H89 F90 R91	H89-E120 IonicContact CE1-OE1 3.76Å; H89-E120 IonicContact CE1-OE2 3.46Å; H89-E120 PolarHBondContact CE1-OE2 2.99Å; H89-E120 VanDerWaalsContact NE2-CD 3.3Å; H89-E120 IonicContact NE2-OE1 2.74Å; H89-E120 IonicContact NE2-OE2 3.77Å; H89-E120 PolarHBondContact NE2-OE2 2.96Å; F90-E120 CarbonylContact O-C 3.49Å; F90-E120 VanDerWaalsContact O-CA 3.28Å; F90-E120 WeakPolarHBondContact O-CA 3.3Å; R91-E120 HydrophobicContact CB-CG 4.1Å; R91-E120 HydrophobicContact CG-CG 4Å
121	A	98	Very high	89.9	Confident	9 Å²	9	65.7 Å²	65.7	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	148.4	172.5	0	0	0	0	0	109.7	L13 F90	L13-A121 HydrophobicContact CD2-CB 3.58Å; L13-A121 HydrophobicContact CG-CB 4.31Å; F90-A121 PolarHBondContact N-O 2.92Å; F90-A121 PolarHBondContact O-N 2.87Å
122	W	97.3	Very high	89.4	Confident	148 Å²	148	66.1 Å²	66.1	56%	0.561	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.6	171.3	-66.2	88.1	0	0	0	109.1	W83 N88 H89	W83-W122 WeakPolarHBondContact CH2-O 3.36Å; N88-W122 WeakPolarHBondContact O-CA 2.98Å; H89-W122 HydrophobicContact CB-CE3 4.01Å; H89-W122 HydrophobicContact CB-CH2 4.01Å; H89-W122 HydrophobicContact CB-CZ3 3.72Å; H89-W122 AromaticContact CD2-CD2 3.98Å; H89-W122 AromaticContact CD2-CE2 3.59Å; H89-W122 AromaticContact CD2-CH2 3.86Å; H89-W122 AromaticContact CD2-CZ2 3.54Å
123	G	95.6	Very high	88.9	Confident	5 Å²	5	68.4 Å²	68.4	5%	0.052	40%	0.396	C	S	.	.			trans	-53.2	145.1	170.4	0	0	0	0	0	110.8	W83 P86 N88	W83-G123 CarbonylContact O-C 3.36Å; W83-G123 WeakPolarHBondContact O-CA 3.47Å; P86-G123 VanDerWaalsContact CA-O 3.27Å; P86-G123 WeakPolarHBondContact CA-O 3.13Å; N88-G123 PolarHBondContact O-N 3.32Å
124	R	90.6	Very high	88.4	Confident	136 Å²	136	74 Å²	74	51%	0.513	41%	0.413	S	S	.	.			trans	-139.9	128.3	-174.9	-162.7	176.9	-148.6	135	6	111.2	W83 H84 D126	W83-R124 HydrophobicContact CZ2-CB 3.99Å; W83-R124 PolarHBondContact NE1-O 2.93Å; W83-R124 PolarHBondContact O-N 2.99Å; H84-R124 PolarHBondContact ND1-O 3.42Å; R124-D126 IonicContact NE-OD1 3.61Å
125	A	86	Confident	87.9	Confident	27 Å²	27	76.4 Å²	76.4	22%	0.223	42%	0.42	C	S	.	.			trans	-107.5	114.7	164.8	0	0	0	0	0	108.1	H84 T130	H84-A125 HydrophobicContact CB-CB 4.21Å; A125-T130 HydrophobicContact CB-CG2 3.89Å
126	D	75.7	Confident	87.6	Confident	84 Å²	84	79.9 Å²	79.9	45%	0.449	44%	0.436	S	S	.	.	S	Bend	trans	-77.8	-23.9	-179.5	-76.2	-22.1	0	0	0	113	K18 R124	K18-D126 VanDerWaalsContact CD-OD2 3.29Å; K18-D126 WeakPolarHBondContact CD-OD2 3.45Å; K18-D126 WeakPolarHBondContact CE-OD2 3.44Å; K18-D126 IonicContact NZ-OD2 3.89Å; K18-D126 PolarHBondContact NZ-OD2 2.75Å; R124-D126 IonicContact NE-OD1 3.61Å
127	C	74.8	Confident	87.4	Confident	113 Å²	113	78 Å²	78	76%	0.764	44%	0.435	S	S	*	.	S	Bend	trans	-137.3	157.7	177.9	62.8	0	0	0	0	110.6
128	G	73.8	Confident	87.3	Confident	69 Å²	69	79.3 Å²	79.3	71%	0.711	45%	0.445	S	S	*	.	S	Bend	trans	94.7	177.3	-179	0	0	0	0	0	114.1
129	I	71.6	Confident	87.1	Confident	151 Å²	151	80.9 Å²	80.9	77%	0.774	45%	0.449	S	S	*	.			trans	-83.6	118.7	-179.7	-61.1	174.2	0	0	0	108.1
130	T	81	Confident	87	Confident	34 Å²	34	83.2 Å²	83.2	21%	0.209	46%	0.464	C	S	.	.			trans	-98.3	162.4	174.7	64.5	0	0	0	0	110.3	P86 A125 A132 S133 Y134	P86-T130 HydrophobicContact CG-CG2 4.4Å; A125-T130 HydrophobicContact CB-CG2 3.89Å; T130-A132 PolarHBondContact O-N 3.47Å; T130-S133 PolarHBondContact N-OG 3.12Å; T130-S133 PolarHBondContact O-N 2.74Å; T130-S133 PolarHBondContact O-OG 2.9Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; T130-S133 PolarHBondContact OG1-N 3.14Å; T130-Y134 PolarHBondContact O-N 2.91Å
131	S	79.2	Confident	86.9	Confident	54 Å²	54	79.8 Å²	79.8	38%	0.378	45%	0.454	S	S	.	.	H	α-helix	trans	-59.4	-30.3	173.6	62.5	0	0	0	0	112.3	H135	S131-H135 WeakPolarHBondContact O-CB 3.39Å; S131-H135 PolarHBondContact O-N 2.82Å
132	A	81.2	Confident	86.8	Confident	60 Å²	60	82.5 Å²	82.5	50%	0.496	47%	0.47	S	S	.	.	H	α-helix	trans	-67.4	-46	176.5	0	0	0	0	0	111.7	T130 Y134 H135 Q136	T130-A132 PolarHBondContact O-N 3.47Å; A132-Y134 VanDerWaalsContact C-N 3.31Å; A132-Y134 PolarHBondContact O-N 3.06Å; A132-H135 PolarHBondContact O-N 2.54Å; A132-Q136 PolarHBondContact O-N 2.8Å
133	S	83.5	Confident	86.8	Confident	56 Å²	56	80.2 Å²	80.2	39%	0.392	47%	0.468	S	S	.	.	H	α-helix	trans	-64.8	-38.2	176.9	76.2	0	0	0	0	111.6	T130 Q136 G137	T130-S133 PolarHBondContact N-OG 3.12Å; T130-S133 PolarHBondContact O-N 2.74Å; T130-S133 PolarHBondContact O-OG 2.9Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; T130-S133 PolarHBondContact OG1-N 3.14Å; S133-Q136 PolarHBondContact O-N 2.97Å; S133-G137 PolarHBondContact O-N 2.74Å
134	Y	85.6	Confident	87	Confident	161 Å²	161	84.7 Å²	84.7	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-62.8	-46.7	175.1	-171.8	-93.9	0	0	0	111.6	T130 A132 Q136 G137 V138	T130-Y134 PolarHBondContact O-N 2.91Å; A132-Y134 VanDerWaalsContact C-N 3.31Å; A132-Y134 PolarHBondContact O-N 3.06Å; Y134-Q136 VanDerWaalsContact C-N 3.28Å; Y134-Q136 PolarHBondContact O-N 3.24Å; Y134-G137 PolarHBondContact O-N 2.83Å; Y134-G137 VanDerWaalsContact O-N 3.13Å; Y134-V138 HydrophobicContact CD1-CG2 3.89Å; Y134-V138 HydrophobicContact CE1-CG2 3.48Å; Y134-V138 VanDerWaalsContact CE1-CG2 3.48Å; Y134-V138 WeakPolarHBondContact O-CG2 3.23Å; Y134-V138 PolarHBondContact O-N 2.91Å
135	H	84.8	Confident	87.3	Confident	123 Å²	123	85.7 Å²	85.7	57%	0.569	50%	0.495	S	S	*	.	H	α-helix	trans	-58.5	-41.5	178.3	-166.6	-85.1	0	0	0	111.9	S131 A132 V138 L139	S131-H135 WeakPolarHBondContact O-CB 3.39Å; S131-H135 PolarHBondContact O-N 2.82Å; A132-H135 PolarHBondContact O-N 2.54Å; H135-V138 PolarHBondContact O-N 2.83Å; H135-L139 WeakPolarHBondContact O-CG 3.38Å; H135-L139 PolarHBondContact O-N 3.45Å
136	Q	90.8	Very high	87.8	Confident	147 Å²	147	90.9 Å²	90.9	69%	0.687	51%	0.514	S	S	*	.	H	α-helix	trans	-68.5	-37.6	176.6	-169.4	156.6	-14.2	0	0	112.7	A132 S133 Y134 L139 S140	A132-Q136 PolarHBondContact O-N 2.8Å; S133-Q136 PolarHBondContact O-N 2.97Å; Y134-Q136 VanDerWaalsContact C-N 3.28Å; Y134-Q136 PolarHBondContact O-N 3.24Å; Q136-L139 PolarHBondContact O-N 3.32Å; Q136-S140 WeakPolarHBondContact O-CB 3.15Å; Q136-S140 PolarHBondContact O-N 2.82Å
137	G	92.5	Very high	88.9	Confident	42 Å²	42	91.1 Å²	91.1	43%	0.433	52%	0.515	S	S	.	.	H	α-helix	trans	-62.4	-44.8	173.5	0	0	0	0	0	112.6	S133 Y134 S140 A141	S133-G137 PolarHBondContact O-N 2.74Å; Y134-G137 PolarHBondContact O-N 2.83Å; Y134-G137 VanDerWaalsContact O-N 3.13Å; G137-S140 PolarHBondContact O-N 2.94Å; G137-A141 WeakPolarHBondContact O-CB 3.34Å; G137-A141 PolarHBondContact O-N 2.9Å
138	V	95	Very high	90	Very high	65 Å²	65	90.7 Å²	90.7	39%	0.394	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-49.1	176.2	173.1	0	0	0	0	110.7	Y134 H135 S140 A141 T142	Y134-V138 HydrophobicContact CD1-CG2 3.89Å; Y134-V138 HydrophobicContact CE1-CG2 3.48Å; Y134-V138 VanDerWaalsContact CE1-CG2 3.48Å; Y134-V138 WeakPolarHBondContact O-CG2 3.23Å; Y134-V138 PolarHBondContact O-N 2.91Å; H135-V138 PolarHBondContact O-N 2.83Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.2Å; V138-A141 PolarHBondContact O-N 2.87Å; V138-T142 PolarHBondContact O-N 3.31Å; V138-T142 PolarHBondContact O-OG1 2.85Å
139	L	94.6	Very high	91.2	Very high	90 Å²	90	92.7 Å²	92.7	47%	0.471	50%	0.498	S	S	.	.	H	α-helix	trans	-58.4	-43.7	177.8	-75.1	173.3	0	0	0	112.4	H135 Q136 A141 T142 I143	H135-L139 WeakPolarHBondContact O-CG 3.38Å; H135-L139 PolarHBondContact O-N 3.45Å; Q136-L139 PolarHBondContact O-N 3.32Å; L139-A141 PolarHBondContact O-N 2.85Å; L139-T142 PolarHBondContact O-N 2.87Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.86Å
140	S	96.2	Very high	92.4	Very high	65 Å²	65	87.3 Å²	87.3	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-44.5	177	-179.8	0	0	0	0	111.6	Q136 G137 V138 I143 L144	Q136-S140 WeakPolarHBondContact O-CB 3.15Å; Q136-S140 PolarHBondContact O-N 2.82Å; G137-S140 PolarHBondContact O-N 2.94Å; V138-S140 VanDerWaalsContact C-N 3.32Å; V138-S140 PolarHBondContact O-N 3.2Å; S140-I143 PolarHBondContact O-N 2.89Å; S140-L144 WeakPolarHBondContact O-CB 3.42Å; S140-L144 VanDerWaalsContact O-CG 3.31Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 2.9Å
141	A	96.7	Very high	93.2	Very high	37 Å²	37	92.6 Å²	92.6	31%	0.306	50%	0.5	S	S	.	.	H	α-helix	trans	-62.9	-44.7	176	0	0	0	0	0	111.5	G137 V138 L139 I143 L144 Y145	G137-A141 WeakPolarHBondContact O-CB 3.34Å; G137-A141 PolarHBondContact O-N 2.9Å; V138-A141 PolarHBondContact O-N 2.87Å; L139-A141 PolarHBondContact O-N 2.85Å; A141-I143 PolarHBondContact O-N 2.81Å; A141-L144 PolarHBondContact O-N 3.12Å; A141-Y145 HydrophobicContact CB-CD2 4.4Å; A141-Y145 HydrophobicContact CB-CE2 4.38Å; A141-Y145 WeakPolarHBondContact O-CD2 3.25Å; A141-Y145 PolarHBondContact O-N 2.9Å
142	T	96.9	Very high	94.1	Very high	65 Å²	65	92.8 Å²	92.8	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-56.4	-49.4	177.2	-57.2	0	0	0	0	111.2	V138 L139 L144 Y145 E146	V138-T142 PolarHBondContact O-N 3.31Å; V138-T142 PolarHBondContact O-OG1 2.85Å; L139-T142 PolarHBondContact O-N 2.87Å; T142-L144 VanDerWaalsContact C-N 3.34Å; T142-L144 PolarHBondContact O-N 3.08Å; T142-Y145 PolarHBondContact O-N 2.82Å; T142-E146 WeakPolarHBondContact O-CG 3.32Å; T142-E146 PolarHBondContact O-N 3.37Å
143	I	97.3	Very high	94.9	Very high	101 Å²	101	93.8 Å²	93.8	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-60.9	-43.3	178	-66.9	166.8	0	0	0	111	L139 S140 A141 Y145 E146 I147	L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.86Å; S140-I143 PolarHBondContact O-N 2.89Å; A141-I143 PolarHBondContact O-N 2.81Å; I143-Y145 PolarHBondContact O-N 3.42Å; I143-E146 PolarHBondContact O-N 2.89Å; I143-I147 HydrophobicContact CG2-CD1 3.97Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.76Å; I143-I147 VanDerWaalsContact O-N 3.08Å
144	L	98.1	Very high	95.6	Very high	99 Å²	99	96.4 Å²	96.4	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-44.1	177.5	-75.3	167.2	0	0	0	111.9	S140 A141 T142 I147 L148	S140-L144 WeakPolarHBondContact O-CB 3.42Å; S140-L144 VanDerWaalsContact O-CG 3.31Å; S140-L144 WeakPolarHBondContact O-CG 3.47Å; S140-L144 PolarHBondContact O-N 2.9Å; A141-L144 PolarHBondContact O-N 3.12Å; T142-L144 VanDerWaalsContact C-N 3.34Å; T142-L144 PolarHBondContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 2.02Å; L144-L148 WeakPolarHBondContact O-CG 3.4Å; L144-L148 PolarHBondContact O-N 2.92Å
145	Y	97.9	Very high	96.2	Very high	157 Å²	157	96.7 Å²	96.7	62%	0.616	52%	0.515	S	S	*	.	H	α-helix	trans	-65.3	-39.8	178.3	-81.2	-64.5	0	0	0	112.2	A141 T142 I143 I147 L148 L149	A141-Y145 HydrophobicContact CB-CD2 4.4Å; A141-Y145 HydrophobicContact CB-CE2 4.38Å; A141-Y145 WeakPolarHBondContact O-CD2 3.25Å; A141-Y145 PolarHBondContact O-N 2.9Å; T142-Y145 PolarHBondContact O-N 2.82Å; I143-Y145 PolarHBondContact O-N 3.42Å; Y145-I147 PolarHBondContact O-N 2.8Å; Y145-L148 PolarHBondContact O-N 2.94Å; Y145-L149 WeakPolarHBondContact O-CB 3.14Å; Y145-L149 PolarHBondContact O-N 3.46Å
146	E	97.5	Very high	96.8	Very high	135 Å²	135	93.2 Å²	93.2	63%	0.631	51%	0.508	S	S	*	.	H	α-helix	trans	-62.2	-42.4	175	-73.6	-166.7	177.2	0	0	112.1	T142 I143 L149 G150	T142-E146 WeakPolarHBondContact O-CG 3.32Å; T142-E146 PolarHBondContact O-N 3.37Å; I143-E146 PolarHBondContact O-N 2.89Å; E146-L149 PolarHBondContact O-N 3.16Å; E146-G150 PolarHBondContact O-N 2.82Å
147	I	98	Very high	97.1	Very high	90 Å²	90	91.1 Å²	91.1	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-63.4	-43.4	175.9	-66.9	166.6	0	0	0	111.1	I143 L144 Y145 G150 K151	I143-I147 HydrophobicContact CG2-CD1 3.97Å; I143-I147 WeakPolarHBondContact O-CG1 3.38Å; I143-I147 PolarHBondContact O-N 2.76Å; I143-I147 VanDerWaalsContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 2.02Å; Y145-I147 PolarHBondContact O-N 2.8Å; I147-G150 PolarHBondContact O-N 2.99Å; I147-K151 WeakPolarHBondContact O-CG 3.34Å; I147-K151 PolarHBondContact O-N 3.33Å
148	L	98.2	Very high	97.4	Very high	104 Å²	104	94 Å²	94	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-65.3	-41.9	178.8	-71.9	173	0	0	0	111.9	L144 Y145 K151 A152	L144-L148 WeakPolarHBondContact O-CG 3.4Å; L144-L148 PolarHBondContact O-N 2.92Å; Y145-L148 PolarHBondContact O-N 2.94Å; L148-K151 PolarHBondContact O-N 3.02Å; L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 2.98Å
149	L	97.9	Very high	97.5	Very high	110 Å²	110	93.6 Å²	93.6	58%	0.576	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-45.7	172.9	-95.3	148.3	0	0	0	111.2	Y145 E146 K151 A152 T153	Y145-L149 WeakPolarHBondContact O-CB 3.14Å; Y145-L149 PolarHBondContact O-N 3.46Å; E146-L149 PolarHBondContact O-N 3.16Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 2.87Å; L149-A152 PolarHBondContact O-N 3.18Å; L149-T153 WeakPolarHBondContact O-CG2 3.37Å; L149-T153 PolarHBondContact O-N 2.93Å; L149-T153 PolarHBondContact O-OG1 3.04Å; L149-T153 VanDerWaalsContact O-OG1 3.13Å
150	G	97.9	Very high	97.6	Very high	39 Å²	39	92.5 Å²	92.5	40%	0.402	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-39.3	175.6	0	0	0	0	0	113.4	E146 I147 T153 L154	E146-G150 PolarHBondContact O-N 2.82Å; I147-G150 PolarHBondContact O-N 2.99Å; G150-T153 PolarHBondContact O-OG1 2.9Å; G150-L154 WeakPolarHBondContact O-CB 3.35Å; G150-L154 PolarHBondContact O-N 2.94Å
151	K	97.7	Very high	97.6	Very high	144 Å²	144	91 Å²	91	63%	0.626	50%	0.502	S	S	*	.	H	α-helix	trans	-69	-41.2	174.6	-72.8	-176.7	177.2	-174.1	0	112.3	I147 L148 L149 L154 Y155	I147-K151 WeakPolarHBondContact O-CG 3.34Å; I147-K151 PolarHBondContact O-N 3.33Å; L148-K151 PolarHBondContact O-N 3.02Å; L149-K151 VanDerWaalsContact C-N 3.33Å; L149-K151 PolarHBondContact O-N 2.87Å; K151-L154 PolarHBondContact O-N 2.83Å; K151-Y155 PolarHBondContact O-N 2.78Å
152	A	98.2	Very high	97.6	Very high	59 Å²	59	95 Å²	95	49%	0.488	52%	0.518	S	S	.	.	H	α-helix	trans	-65.6	-41.9	179.7	0	0	0	0	0	111.9	L148 L149 Y155 A156	L148-A152 WeakPolarHBondContact O-CB 3.42Å; L148-A152 PolarHBondContact O-N 2.98Å; L149-A152 PolarHBondContact O-N 3.18Å; A152-Y155 PolarHBondContact O-N 2.8Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 2.98Å
153	T	97.9	Very high	97.5	Very high	80 Å²	80	95.3 Å²	95.3	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-42.1	176	54.8	0	0	0	0	111.6	L149 G150 Y155 A156 V157	L149-T153 WeakPolarHBondContact O-CG2 3.37Å; L149-T153 PolarHBondContact O-N 2.93Å; L149-T153 PolarHBondContact O-OG1 3.04Å; L149-T153 VanDerWaalsContact O-OG1 3.13Å; G150-T153 PolarHBondContact O-OG1 2.9Å; T153-Y155 VanDerWaalsContact C-N 3.34Å; T153-Y155 PolarHBondContact O-N 3.4Å; T153-A156 PolarHBondContact O-N 3.16Å; T153-V157 WeakPolarHBondContact O-CG2 3.38Å; T153-V157 PolarHBondContact O-N 3.12Å
154	L	97.7	Very high	97.4	Very high	112 Å²	112	95.8 Å²	95.8	59%	0.586	52%	0.523	S	S	*	.	H	α-helix	trans	-58.9	-44.6	174.6	-178.4	64.2	0	0	0	112	G150 K151 V157 L158	G150-L154 WeakPolarHBondContact O-CB 3.35Å; G150-L154 PolarHBondContact O-N 2.94Å; K151-L154 PolarHBondContact O-N 2.83Å; L154-V157 PolarHBondContact O-N 3.49Å; L154-L158 PolarHBondContact O-N 2.82Å
155	Y	98	Very high	97.2	Very high	166 Å²	166	97.7 Å²	97.7	65%	0.651	53%	0.53	S	S	*	.	H	α-helix	trans	-63.6	-44.1	177	-176.3	-98.3	0	0	0	112	K151 A152 T153 V157 L158 V159	K151-Y155 PolarHBondContact O-N 2.78Å; A152-Y155 PolarHBondContact O-N 2.8Å; T153-Y155 VanDerWaalsContact C-N 3.34Å; T153-Y155 PolarHBondContact O-N 3.4Å; Y155-V157 VanDerWaalsContact C-N 3.32Å; Y155-V157 PolarHBondContact O-N 2.89Å; Y155-L158 PolarHBondContact O-N 3.36Å; Y155-V159 HydrophobicContact CD1-CG2 4.07Å; Y155-V159 HydrophobicContact CD2-CG2 4.47Å; Y155-V159 HydrophobicContact CE1-CG2 3.61Å; Y155-V159 HydrophobicContact CE2-CG2 4.05Å; Y155-V159 HydrophobicContact CG-CG2 4.48Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.92Å
156	A	98	Very high	96.9	Very high	51 Å²	51	93.1 Å²	93.1	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-61.1	-39.4	177.7	0	0	0	0	0	112.5	A152 T153 S160	A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 2.98Å; T153-A156 PolarHBondContact O-N 3.16Å; A156-S160 VanDerWaalsContact O-CB 3.23Å; A156-S160 WeakPolarHBondContact O-CB 3.45Å; A156-S160 PolarHBondContact O-N 3.08Å; A156-S160 PolarHBondContact O-OG 3.11Å
157	V	97.9	Very high	96.7	Very high	103 Å²	103	92.7 Å²	92.7	62%	0.624	52%	0.524	S	S	*	.	H	α-helix	trans	-66	-44.5	174.9	172.5	0	0	0	0	111.1	T153 L154 Y155 S160 G161	T153-V157 WeakPolarHBondContact O-CG2 3.38Å; T153-V157 PolarHBondContact O-N 3.12Å; L154-V157 PolarHBondContact O-N 3.49Å; Y155-V157 VanDerWaalsContact C-N 3.32Å; Y155-V157 PolarHBondContact O-N 2.89Å; V157-S160 PolarHBondContact O-N 3.25Å; V157-G161 PolarHBondContact O-N 3.33Å
158	L	97.6	Very high	96.4	Very high	103 Å²	103	92.3 Å²	92.3	54%	0.539	53%	0.526	S	S	.	.	H	α-helix	trans	-59.7	-49.4	177.8	-104.7	163	0	0	0	112.4	L154 Y155 G161 L162	L154-L158 PolarHBondContact O-N 2.82Å; Y155-L158 PolarHBondContact O-N 3.36Å; L158-G161 PolarHBondContact O-N 3.09Å; L158-L162 WeakPolarHBondContact O-CG 3.2Å; L158-L162 PolarHBondContact O-N 3.24Å
159	V	97.5	Very high	95.9	Very high	56 Å²	56	95.4 Å²	95.4	34%	0.339	54%	0.535	S	S	.	.	H	α-helix	trans	-65.6	-44.7	180	174.1	0	0	0	0	110.9	Y155 G161 L162 V163	Y155-V159 HydrophobicContact CD1-CG2 4.07Å; Y155-V159 HydrophobicContact CD2-CG2 4.47Å; Y155-V159 HydrophobicContact CE1-CG2 3.61Å; Y155-V159 HydrophobicContact CE2-CG2 4.05Å; Y155-V159 HydrophobicContact CG-CG2 4.48Å; Y155-V159 WeakPolarHBondContact O-CG2 3.36Å; Y155-V159 PolarHBondContact O-N 2.92Å; V159-G161 VanDerWaalsContact C-N 3.3Å; V159-G161 PolarHBondContact O-N 2.99Å; V159-L162 PolarHBondContact O-N 3Å; V159-V163 HydrophobicContact CG1-CG2 4.36Å; V159-V163 WeakPolarHBondContact O-CG2 3.29Å; V159-V163 PolarHBondContact O-N 3.15Å
160	S	96.8	Very high	95.4	Very high	67 Å²	67	98.4 Å²	98.4	47%	0.469	54%	0.544	S	S	.	.	H	α-helix	trans	-57	-44.1	175.1	-62	0	0	0	0	111.8	A156 V157 V163 L164	A156-S160 VanDerWaalsContact O-CB 3.23Å; A156-S160 WeakPolarHBondContact O-CB 3.45Å; A156-S160 PolarHBondContact O-N 3.08Å; A156-S160 PolarHBondContact O-OG 3.11Å; V157-S160 PolarHBondContact O-N 3.25Å; S160-V163 PolarHBondContact O-N 3.15Å; S160-L164 WeakPolarHBondContact O-CG 3.49Å; S160-L164 PolarHBondContact O-N 2.9Å
161	G	96.4	Very high	94.7	Very high	33 Å²	33	105.1 Å²	105.1	34%	0.34	56%	0.562	S	S	.	*	H	α-helix	trans	-60.9	-45.9	175.8	0	0	0	0	0	112.9	V157 L158 V159 L164 M165	V157-G161 PolarHBondContact O-N 3.33Å; L158-G161 PolarHBondContact O-N 3.09Å; V159-G161 VanDerWaalsContact C-N 3.3Å; V159-G161 PolarHBondContact O-N 2.99Å; G161-L164 PolarHBondContact O-N 3.41Å; G161-M165 VanDerWaalsContact O-CG 3.23Å; G161-M165 WeakPolarHBondContact O-CG 3.2Å; G161-M165 PolarHBondContact O-N 2.82Å
162	L	95.8	Very high	93.7	Very high	122 Å²	122	104.7 Å²	104.7	64%	0.639	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-41.8	177.5	-73.1	172.7	0	0	0	112.6	L158 V159 M165 A166	L158-L162 WeakPolarHBondContact O-CG 3.2Å; L158-L162 PolarHBondContact O-N 3.24Å; V159-L162 PolarHBondContact O-N 3Å; L162-M165 PolarHBondContact O-N 3.3Å; L162-A166 WeakPolarHBondContact O-CB 3Å; L162-A166 PolarHBondContact O-N 3.06Å
163	V	96.2	Very high	92.3	Very high	70 Å²	70	109.3 Å²	109.3	42%	0.424	60%	0.595	S	S	.	*	H	α-helix	trans	-63.9	-43.9	177.7	172	0	0	0	0	111.1	V159 S160 M165 A166 M167	V159-V163 HydrophobicContact CG1-CG2 4.36Å; V159-V163 WeakPolarHBondContact O-CG2 3.29Å; V159-V163 PolarHBondContact O-N 3.15Å; S160-V163 PolarHBondContact O-N 3.15Å; V163-M165 VanDerWaalsContact C-N 3.35Å; V163-M165 PolarHBondContact O-N 3.27Å; V163-A166 PolarHBondContact O-N 2.89Å; V163-M167 HydrophobicContact CG1-CE 4.04Å; V163-M167 HydrophobicContact CG1-SD 4.43Å; V163-M167 WeakPolarHBondContact O-CG 3.45Å; V163-M167 PolarHBondContact O-N 2.65Å
164	L	94.3	Very high	92	Very high	112 Å²	112	110.8 Å²	110.8	59%	0.586	60%	0.601	S	S	*	*	H	α-helix	trans	-59.4	-45.8	175.2	-75.4	169.6	0	0	0	111.5	S160 G161 A166 M167 V168	S160-L164 WeakPolarHBondContact O-CG 3.49Å; S160-L164 PolarHBondContact O-N 2.9Å; G161-L164 PolarHBondContact O-N 3.41Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.18Å; L164-M167 PolarHBondContact O-N 2.72Å; L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 3.46Å
165	M	93.7	Very high	91.7	Very high	139 Å²	139	110.7 Å²	110.7	69%	0.685	60%	0.601	S	S	*	*	H	α-helix	trans	-62.6	-38.8	177.7	-67.7	-68	-91.8	0	0	112.2	G161 L162 V163 K169	G161-M165 VanDerWaalsContact O-CG 3.23Å; G161-M165 WeakPolarHBondContact O-CG 3.2Å; G161-M165 PolarHBondContact O-N 2.82Å; L162-M165 PolarHBondContact O-N 3.3Å; V163-M165 VanDerWaalsContact C-N 3.35Å; V163-M165 PolarHBondContact O-N 3.27Å; M165-K169 PolarHBondContact O-N 3.24Å
166	A	92.5	Very high	91.4	Very high	61 Å²	61	107.7 Å²	107.7	50%	0.504	60%	0.599	S	S	.	*	H	α-helix	trans	-66.4	-41.8	175.6	0	0	0	0	0	112.4	L162 V163 L164 K169 K170	L162-A166 WeakPolarHBondContact O-CB 3Å; L162-A166 PolarHBondContact O-N 3.06Å; V163-A166 PolarHBondContact O-N 2.89Å; L164-A166 VanDerWaalsContact C-N 3.33Å; L164-A166 PolarHBondContact O-N 3.18Å; A166-K169 PolarHBondContact O-N 3.45Å; A166-K170 PolarHBondContact O-N 3.38Å
167	M	92.6	Very high	91	Very high	125 Å²	125	111 Å²	111	62%	0.616	61%	0.609	S	S	*	*	H	α-helix	trans	-63	-42.1	175.9	-74.4	-174.1	173.1	0	0	112.1	V163 L164 K170 K171	V163-M167 HydrophobicContact CG1-CE 4.04Å; V163-M167 HydrophobicContact CG1-SD 4.43Å; V163-M167 WeakPolarHBondContact O-CG 3.45Å; V163-M167 PolarHBondContact O-N 2.65Å; L164-M167 PolarHBondContact O-N 2.72Å; M167-K170 PolarHBondContact O-N 3.04Å; M167-K171 PolarHBondContact O-N 3.4Å; M167-K171 VanDerWaalsContact O-N 3.09Å
168	V	91.9	Very high	90.5	Very high	82 Å²	82	111.5 Å²	111.5	50%	0.497	61%	0.608	S	S	.	*	H	α-helix	trans	-63.7	-45.4	176.3	172.1	0	0	0	0	111.2	L164 K170 K171 N172	L164-V168 WeakPolarHBondContact O-CG2 3.48Å; L164-V168 PolarHBondContact O-N 3.46Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.44Å; V168-K171 PolarHBondContact O-N 3.32Å; V168-N172 PolarHBondContact O-N 2.88Å
169	K	88.4	Confident	90.1	Very high	170 Å²	170	112.1 Å²	112.1	74%	0.739	61%	0.613	S	S	*	*	H	α-helix	trans	-58.6	-43.1	175.4	-94.3	-173.3	172.2	-176.9	0	112.4	M165 A166 K171 N172 S173	M165-K169 PolarHBondContact O-N 3.24Å; A166-K169 PolarHBondContact O-N 3.45Å; K169-K171 VanDerWaalsContact C-N 3.31Å; K169-K171 PolarHBondContact O-N 3.34Å; K169-N172 PolarHBondContact O-N 2.86Å; K169-S173 PolarHBondContact O-N 3.48Å
170	K	86.5	Confident	89.5	Confident	172 Å²	172	116.1 Å²	116.1	75%	0.748	63%	0.632	S	S	*	*	H	α-helix	trans	-64.5	-34.1	178.3	-173.8	178.3	177.8	-179.6	0	112.6	A166 M167 V168 N172	A166-K170 PolarHBondContact O-N 3.38Å; M167-K170 PolarHBondContact O-N 3.04Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.44Å; K170-N172 VanDerWaalsContact C-N 3.34Å
171	K	83.5	Confident	89	Confident	180 Å²	180	119.8 Å²	119.8	78%	0.783	65%	0.645	S	S	*	*	H	α-helix	trans	-72.4	-27.4	177.8	-169.4	178.6	178	-177.6	0	112.9	M167 V168 K169	M167-K171 PolarHBondContact O-N 3.4Å; M167-K171 VanDerWaalsContact O-N 3.09Å; V168-K171 PolarHBondContact O-N 3.32Å; K169-K171 VanDerWaalsContact C-N 3.31Å; K169-K171 PolarHBondContact O-N 3.34Å
172	N	76	Confident	88.3	Confident	135 Å²	135	127.1 Å²	127.1	72%	0.722	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	1.2	-179.4	-68.9	-6.8	0	0	0	113.7	V168 K169 K170	V168-N172 PolarHBondContact O-N 2.88Å; K169-N172 PolarHBondContact O-N 2.86Å; K170-N172 VanDerWaalsContact C-N 3.34Å
173	S	68.9	Low	87.7	Confident	157 Å²	157	127.5 Å²	127.5	100%	1.098	67%	0.673	S	S	*	*			trans	-106.7	0	175.4	-175.4	0	0	0	0	110.8	K169	K169-S173 PolarHBondContact O-N 3.48Å

Retrieved 173 of 173 residues in 258.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).