A0A077ZII6_TRITR Loading...

JAB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZII6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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	29.7	Very low	44.6	Very low	241 Å²	241	128.2 Å²	128.2	100%	1.187	68%	0.678	S	S	*	*				0	96.8	0	-60.9	178.8	178.6	0	0	104.7
2	D	31	Very low	47.8	Very low	161 Å²	161	117.7 Å²	117.7	86%	0.861	62%	0.622	S	S	*	*			cis	-115.2	149.9	2.4	-84.7	-57.6	0	0	0	109.4	D4	D2-D4 PolarHBondContact O-N 3.23Å; D2-D4 VanDerWaalsContact O-N 3.1Å
3	C	29.6	Very low	51.1	Low	112 Å²	112	113.4 Å²	113.4	76%	0.757	60%	0.595	S	S	*	*			trans	-66	111.4	172	-167.6	0	0	0	0	106.4	R5	C3-R5 PolarHBondContact O-N 2.74Å
4	D	35	Very low	54.1	Low	142 Å²	142	105.3 Å²	105.3	76%	0.759	55%	0.553	S	S	*	*			trans	-56.9	86.7	164	-159.7	11.6	0	0	0	105.9	D2 M6	D2-D4 PolarHBondContact O-N 3.23Å; D2-D4 VanDerWaalsContact O-N 3.1Å; D4-M6 PolarHBondContact O-N 3.28Å
5	R	40.1	Very low	56.9	Low	217 Å²	217	99.9 Å²	99.9	82%	0.819	52%	0.524	S	S	*	.			trans	-66.5	87.1	173.5	-92.1	-178.4	162.9	163.2	-4	103.9	C3 V7	C3-R5 PolarHBondContact O-N 2.74Å; R5-V7 PolarHBondContact O-N 3.17Å
6	M	35.6	Very low	59.3	Low	163 Å²	163	93.7 Å²	93.7	80%	0.803	49%	0.492	S	S	*	.			trans	-49.2	100.4	161.4	-79	-176.2	162.7	0	0	105.7	D4 T8	D4-M6 PolarHBondContact O-N 3.28Å; M6-T8 VanDerWaalsContact C-N 3.26Å; M6-T8 PolarHBondContact O-N 2.93Å
7	V	50.1	Low	61.4	Low	103 Å²	103	91.7 Å²	91.7	62%	0.624	48%	0.478	S	S	*	.			trans	-64.5	99.9	171.8	178.8	0	0	0	0	103.6	R5 D9	R5-V7 PolarHBondContact O-N 3.17Å; V7-D9 PolarHBondContact O-N 3.41Å
8	T	46.8	Very low	63.1	Low	106 Å²	106	87.6 Å²	87.6	65%	0.65	46%	0.458	S	S	*	.			trans	-54.4	127.9	179.2	46.4	0	0	0	0	108.1	M6 T10	M6-T8 VanDerWaalsContact C-N 3.26Å; M6-T8 PolarHBondContact O-N 2.93Å; T8-T10 PolarHBondContact O-N 3.29Å
9	D	56.3	Low	64.7	Low	89 Å²	89	87.5 Å²	87.5	48%	0.476	46%	0.457	S	S	.	.			trans	-41.3	114.7	173	179.5	-17	0	0	0	109.2	V7 S11 T159	V7-D9 PolarHBondContact O-N 3.41Å; D9-S11 PolarHBondContact O-N 3.3Å; D9-S11 WeakPolarHBondContact OD1-CA 3.42Å; D9-S11 PolarHBondContact OD1-N 3.18Å; D9-S11 PolarHBondContact OD1-OG 3.38Å; D9-S11 VanDerWaalsContact OD1-OG 3.06Å; D9-T159 HydrophobicContact CB-CG2 4.38Å; D9-T159 VanDerWaalsContact OD1-CA 3.32Å; D9-T159 WeakPolarHBondContact OD1-CA 3.49Å; D9-T159 WeakPolarHBondContact OD1-CB 3.21Å; D9-T159 WeakPolarHBondContact OD1-CG2 3.49Å
10	T	62.6	Low	66.2	Low	13 Å²	13	83.1 Å²	83.1	8%	0.08	43%	0.434	C	S	.	.			trans	-77.7	-8.7	-176.3	52.8	0	0	0	0	113.1	T8 E12 Y48 R156 T159	T8-T10 PolarHBondContact O-N 3.29Å; T10-E12 PolarHBondContact O-N 3.2Å; T10-E12 VanDerWaalsContact O-N 3.11Å; T10-Y48 VanDerWaalsContact CB-CD1 3.42Å; T10-Y48 HydrophobicContact CG2-CD1 4.02Å; T10-Y48 HydrophobicContact CG2-CE1 3.28Å; T10-Y48 WeakPolarHBondContact O-CB 3.42Å; T10-Y48 WeakPolarHBondContact O-CD1 3.39Å; T10-R156 HydrophobicContact CG2-CG 3.97Å; T10-R156 VanDerWaalsContact OG1-CB 3.28Å; T10-R156 WeakPolarHBondContact OG1-CB 3.21Å; T10-R156 WeakPolarHBondContact OG1-CD 3.36Å; T10-R156 VanDerWaalsContact OG1-CG 3.22Å; T10-R156 WeakPolarHBondContact OG1-CG 3.05Å; T10-T159 VanDerWaalsContact N-CG2 3.33Å; T10-T159 WeakPolarHBondContact OG1-CG2 3.46Å; T10-T159 PolarHBondContact OG1-OG1 3.05Å
11	S	73.6	Confident	67.5	Low	63 Å²	63	80.3 Å²	80.3	44%	0.441	42%	0.42	S	S	.	.			trans	38.1	49.2	-176.1	-64.5	0	0	0	0	113.3	D9 K13 T159	D9-S11 PolarHBondContact O-N 3.3Å; D9-S11 WeakPolarHBondContact OD1-CA 3.42Å; D9-S11 PolarHBondContact OD1-N 3.18Å; D9-S11 PolarHBondContact OD1-OG 3.38Å; D9-S11 VanDerWaalsContact OD1-OG 3.06Å; S11-K13 PolarHBondContact O-N 3.36Å; S11-T159 VanDerWaalsContact N-CB 3.31Å
12	E	83.8	Confident	70.5	Confident	2 Å²	2	74.2 Å²	74.2	1%	0.009	39%	0.392	C	S	.	.			trans	-67.7	129.5	-175.4	-168.5	171.2	165.4	0	0	110.1	T10 Y48 R142 R156 T159 S160 L184	T10-E12 PolarHBondContact O-N 3.2Å; T10-E12 VanDerWaalsContact O-N 3.11Å; E12-Y48 CarbonylContact C-O 3.49Å; E12-Y48 WeakPolarHBondContact CA-O 3.17Å; E12-Y48 VanDerWaalsContact CG-O 3.3Å; E12-Y48 WeakPolarHBondContact CG-O 3.31Å; E12-R142 IonicContact OE1-CZ 3.48Å; E12-R142 IonicContact OE1-NE 3.53Å; E12-R142 PolarHBondContact OE1-NE 3.12Å; E12-R142 IonicContact OE1-NH2 3.92Å; E12-R142 PolarHBondContact OE1-NH2 3.47Å; E12-R156 WeakPolarHBondContact OE2-CD 3.23Å; E12-R156 IonicContact OE2-CZ 2.81Å; E12-R156 IonicContact OE2-NE 2.78Å; E12-R156 IonicContact OE2-NH1 2.69Å; E12-R156 PolarHBondContact OE2-NH1 2.85Å; E12-T159 PolarHBondContact N-OG1 3.4Å; E12-S160 PolarHBondContact O-OG 3.05Å; E12-L184 HydrophobicContact CB-CD2 4.08Å; E12-L184 HydrophobicContact CG-CD2 3.81Å
13	K	90	Very high	73.6	Confident	62 Å²	62	69.6 Å²	69.6	27%	0.27	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	153.4	-174.3	67.2	-179	-170.9	166.9	0	112.8	S11 L15 Y48 T49 V50 H185 E187	S11-K13 PolarHBondContact O-N 3.36Å; K13-L15 HydrophobicContact CD-CD2 4.21Å; K13-Y48 PolarHBondContact N-O 2.95Å; K13-T49 HydrophobicContact CG-CG2 4.43Å; K13-V50 PolarHBondContact O-N 3.03Å; K13-H185 WeakPolarHBondContact CA-O 3.32Å; K13-E187 IonicContact NZ-OE2 2.74Å; K13-E187 PolarHBondContact NZ-OE2 3.39Å
14	V	94	Very high	76.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.8	174.3	-179.1	0	0	0	0	108.5	M16 V50 V52 I124 A140 L184 H185 V186 E187	V14-M16 HydrophobicContact CG1-CE 4.42Å; V14-M16 PolarHBondContact O-N 2.79Å; V14-V50 CarbonylContact C-O 3.51Å; V14-V50 VanDerWaalsContact CA-O 3.31Å; V14-V50 WeakPolarHBondContact CA-O 3.48Å; V14-V52 HydrophobicContact CG1-CG2 3.86Å; V14-I124 HydrophobicContact CB-CD1 4.49Å; V14-I124 HydrophobicContact CG1-CD1 3.73Å; V14-I124 HydrophobicContact CG2-CD1 3.87Å; V14-I124 HydrophobicContact CG2-CG2 4.32Å; V14-A140 HydrophobicContact CG2-CB 4.01Å; V14-L184 HydrophobicContact CG2-CB 4.07Å; V14-L184 HydrophobicContact CG2-CD1 4Å; V14-H185 PolarHBondContact N-O 3.14Å; V14-V186 HydrophobicContact CB-CG2 4.39Å; V14-V186 CarbonylContact O-C 3.52Å; V14-V186 WeakPolarHBondContact O-CA 3.32Å; V14-E187 PolarHBondContact O-N 2.96Å
15	L	95.1	Very high	79.5	Confident	24 Å²	24	59.3 Å²	59.3	13%	0.126	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	105.7	171.2	-60.4	-174	0	0	0	108.7	K13 T49 V50 T51 V52 E187 T189	K13-L15 HydrophobicContact CD-CD2 4.21Å; L15-T49 HydrophobicContact CD1-CG2 3.65Å; L15-T49 HydrophobicContact CG-CG2 3.75Å; L15-V50 PolarHBondContact N-O 3.45Å; L15-T51 HydrophobicContact CB-CG2 4.47Å; L15-T51 WeakPolarHBondContact O-CA 3.42Å; L15-V52 PolarHBondContact O-N 3.43Å; L15-E187 CarbonylContact C-O 3.59Å; L15-E187 WeakPolarHBondContact CA-O 3.31Å; L15-E187 HydrophobicContact CD2-CB 3.83Å; L15-E187 HydrophobicContact CD2-CG 4.15Å; L15-E187 WeakPolarHBondContact CD2-OE2 3.49Å; L15-T189 HydrophobicContact CB-CG2 4.49Å; L15-T189 HydrophobicContact CD2-CG2 4.02Å
16	M	95.5	Very high	82.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.9	179.5	-172	143.7	-70.8	0	0	110.9	V14 L21 I24 V52 V126 V186 E187 Y188 T189	V14-M16 HydrophobicContact CG1-CE 4.42Å; V14-M16 PolarHBondContact O-N 2.79Å; M16-L21 HydrophobicContact CG-CB 4.19Å; M16-I24 HydrophobicContact CE-CD1 4.37Å; M16-I24 HydrophobicContact SD-CD1 4.35Å; M16-V52 HydrophobicContact CE-CB 3.87Å; M16-V52 HydrophobicContact CE-CG1 3.93Å; M16-V52 HydrophobicContact CE-CG2 3.94Å; M16-V126 HydrophobicContact CE-CG2 4.49Å; M16-V186 HydrophobicContact CB-CG1 3.89Å; M16-E187 PolarHBondContact N-O 2.77Å; M16-Y188 HydrophobicContact CB-CD1 4.01Å; M16-Y188 HydrophobicContact CB-CE1 4.15Å; M16-Y188 HydrophobicContact CG-CD1 4.42Å; M16-Y188 HydrophobicContact CG-CE1 4.37Å; M16-T189 PolarHBondContact O-N 3.1Å
17	K	95.2	Very high	84.8	Confident	60 Å²	60	48 Å²	48	26%	0.261	26%	0.255	S	S	.	.			trans	-74.3	152.1	173.8	-65.3	-61.3	178.5	-170.8	0	111.4	L19 A20 L21 V52 T53 T189	K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.95Å; K17-A20 PolarHBondContact O-N 3.28Å; K17-L21 PolarHBondContact O-N 3.15Å; K17-L21 VanDerWaalsContact O-N 3.09Å; K17-V52 WeakPolarHBondContact CB-O 3.47Å; K17-V52 WeakPolarHBondContact CG-O 3.43Å; K17-V52 PolarHBondContact N-O 2.77Å; K17-T53 HydrophobicContact CG-CG2 4.24Å; K17-T189 WeakPolarHBondContact CD-OG1 3.43Å; K17-T189 PolarHBondContact NZ-OG1 2.71Å
18	P	92.9	Very high	86.9	Confident	17 Å²	17	43.1 Å²	43.1	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-33.1	-176.5	-22	36.3	0	0	0	112.7	L21 L22 T189 Y190 E194	P18-L21 PolarHBondContact O-N 2.95Å; P18-L22 WeakPolarHBondContact O-CB 3.28Å; P18-L22 VanDerWaalsContact O-CG 3.28Å; P18-L22 WeakPolarHBondContact O-CG 3.43Å; P18-L22 PolarHBondContact O-N 3.4Å; P18-T189 VanDerWaalsContact CD-O 3.28Å; P18-T189 WeakPolarHBondContact CD-O 3.08Å; P18-T189 WeakPolarHBondContact CG-O 3.4Å; P18-Y190 HydrophobicContact CB-CD1 4.15Å; P18-Y190 HydrophobicContact CB-CE1 4.04Å; P18-Y190 HydrophobicContact CG-CD1 3.37Å; P18-Y190 HydrophobicContact CG-CE1 3.64Å; P18-Y190 HydrophobicContact CG-CG 4.21Å; P18-E194 WeakPolarHBondContact CD-OE1 3.47Å
19	L	92.8	Very high	89.1	Confident	86 Å²	86	44.9 Å²	44.9	45%	0.45	22%	0.224	S	C	.	.	H	α-helix	trans	-61.3	-52.2	176.7	-179.6	62.5	0	0	0	111.7	K17 L21 L22 K23	K17-L19 VanDerWaalsContact C-N 3.28Å; K17-L19 PolarHBondContact O-N 2.95Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.31Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-K23 PolarHBondContact O-N 3.32Å
20	A	95	Very high	90.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-48.3	176.1	0	0	0	0	0	111.3	K17 L22 K23 I24 V52 A55	K17-A20 PolarHBondContact O-N 3.28Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.46Å; A20-K23 PolarHBondContact O-N 2.81Å; A20-I24 WeakPolarHBondContact O-CB 3.19Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 3.46Å; A20-V52 HydrophobicContact CB-CG1 3.79Å; A20-A55 HydrophobicContact CB-CB 4.47Å
21	L	93.7	Very high	92.1	Very high	25 Å²	25	47.3 Å²	47.3	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-53.6	-49.4	177.9	176.4	59.9	0	0	0	112	M16 K17 P18 L19 L25 I138 Y188	M16-L21 HydrophobicContact CG-CB 4.19Å; K17-L21 PolarHBondContact O-N 3.15Å; K17-L21 VanDerWaalsContact O-N 3.09Å; P18-L21 PolarHBondContact O-N 2.95Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-L21 PolarHBondContact O-N 3.31Å; L21-L25 HydrophobicContact CD1-CD1 3.74Å; L21-L25 HydrophobicContact CD1-CG 4.19Å; L21-L25 HydrophobicContact CG-CD1 4.03Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 2.96Å; L21-I138 HydrophobicContact CD1-CD1 3.23Å; L21-I138 HydrophobicContact CD1-CG1 4.38Å; L21-Y188 HydrophobicContact CD1-CE1 4.07Å; L21-Y188 HydrophobicContact CD2-CD1 3.89Å; L21-Y188 HydrophobicContact CD2-CE1 3.88Å
22	L	92.6	Very high	92.8	Very high	113 Å²	113	45.8 Å²	45.8	59%	0.592	23%	0.229	S	C	*	.	H	α-helix	trans	-65.2	-44.8	-179.1	-75	168.6	0	0	0	112.1	P18 L19 A20 I24 L25 Q26	P18-L22 WeakPolarHBondContact O-CB 3.28Å; P18-L22 VanDerWaalsContact O-CG 3.28Å; P18-L22 WeakPolarHBondContact O-CG 3.43Å; P18-L22 PolarHBondContact O-N 3.4Å; L19-L22 PolarHBondContact O-N 3.01Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L22 PolarHBondContact O-N 3.46Å; L22-I24 PolarHBondContact O-N 2.57Å; L22-L25 PolarHBondContact O-N 2.67Å; L22-Q26 VanDerWaalsContact O-CB 3.24Å; L22-Q26 WeakPolarHBondContact O-CB 3.19Å; L22-Q26 PolarHBondContact O-N 2.82Å
23	K	95.3	Very high	93.1	Very high	63 Å²	63	51.4 Å²	51.4	27%	0.274	27%	0.265	S	S	.	.	H	α-helix	trans	-61.4	-44.5	178.3	-76.1	-170.1	-176	173.7	0	111.9	L19 A20 H27 D54 A55	L19-K23 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 2.81Å; K23-H27 VanDerWaalsContact O-CB 3.24Å; K23-H27 WeakPolarHBondContact O-CB 3.35Å; K23-H27 PolarHBondContact O-N 3.09Å; K23-D54 WeakPolarHBondContact CD-OD1 3.31Å; K23-D54 WeakPolarHBondContact CE-OD1 3.33Å; K23-D54 IonicContact NZ-OD1 3.98Å; K23-D54 PolarHBondContact NZ-OD1 3.3Å; K23-D54 IonicContact NZ-OD2 3.17Å; K23-D54 PolarHBondContact NZ-OD2 2.81Å; K23-A55 HydrophobicContact CB-CB 4.33Å; K23-A55 VanDerWaalsContact CD-O 3.28Å; K23-A55 WeakPolarHBondContact CD-O 3.24Å
24	I	95.4	Very high	93.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-50.2	179.1	-66.2	164.5	0	0	0	110.5	M16 A20 L22 Q26 H27 A28 L40 A55 Y95 V128 I138	M16-I24 HydrophobicContact CE-CD1 4.37Å; M16-I24 HydrophobicContact SD-CD1 4.35Å; A20-I24 WeakPolarHBondContact O-CB 3.19Å; A20-I24 WeakPolarHBondContact O-CD1 3.44Å; A20-I24 WeakPolarHBondContact O-CG1 3.47Å; A20-I24 PolarHBondContact O-N 3.46Å; L22-I24 PolarHBondContact O-N 2.57Å; I24-Q26 PolarHBondContact O-N 3.49Å; I24-H27 PolarHBondContact O-N 3.33Å; I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.87Å; I24-L40 HydrophobicContact CD1-CD2 3.66Å; I24-L40 HydrophobicContact CG1-CD2 4.47Å; I24-A55 HydrophobicContact CD1-CB 3.98Å; I24-A55 HydrophobicContact CG1-CB 3.5Å; I24-Y95 HydrophobicContact CB-CD2 4.4Å; I24-Y95 HydrophobicContact CB-CE2 4.33Å; I24-Y95 HydrophobicContact CD1-CD1 4.44Å; I24-Y95 HydrophobicContact CD1-CG 4.44Å; I24-Y95 HydrophobicContact CG1-CD1 4.06Å; I24-Y95 HydrophobicContact CG1-CD2 4.19Å; I24-Y95 HydrophobicContact CG1-CE1 4.06Å; I24-Y95 HydrophobicContact CG1-CE2 4.19Å; I24-Y95 HydrophobicContact CG1-CG 4.11Å; I24-Y95 HydrophobicContact CG2-CD2 3.61Å; I24-Y95 HydrophobicContact CG2-CE2 3.88Å; I24-Y95 HydrophobicContact CG2-CG 4.15Å; I24-V128 HydrophobicContact CG2-CB 4.07Å; I24-V128 HydrophobicContact CG2-CG1 4.24Å; I24-V128 HydrophobicContact CG2-CG2 3.26Å; I24-I138 HydrophobicContact CG2-CD1 4.5Å
25	L	93.5	Very high	92.8	Very high	39 Å²	39	58.1 Å²	58.1	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-41.6	-179.5	-73.5	171.7	0	0	0	112.2	L21 L22 K29 V128 I138	L21-L25 HydrophobicContact CD1-CD1 3.74Å; L21-L25 HydrophobicContact CD1-CG 4.19Å; L21-L25 HydrophobicContact CG-CD1 4.03Å; L21-L25 WeakPolarHBondContact O-CB 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 2.96Å; L22-L25 PolarHBondContact O-N 2.67Å; L25-K29 VanDerWaalsContact O-CB 3.31Å; L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 PolarHBondContact O-N 2.89Å; L25-V128 HydrophobicContact CD2-CG1 3.8Å; L25-I138 HydrophobicContact CD2-CD1 4.12Å; L25-I138 HydrophobicContact CD2-CG1 4.28Å; L25-I138 HydrophobicContact CG-CD1 4.16Å
26	Q	93.4	Very high	92.7	Very high	112 Å²	112	57.4 Å²	57.4	52%	0.523	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-49.2	176.5	-179.4	174.1	-5.2	0	0	110.7	L22 I24 A28 K29 E30	L22-Q26 VanDerWaalsContact O-CB 3.24Å; L22-Q26 WeakPolarHBondContact O-CB 3.19Å; L22-Q26 PolarHBondContact O-N 2.82Å; I24-Q26 PolarHBondContact O-N 3.49Å; Q26-A28 PolarHBondContact O-N 3.3Å; Q26-K29 PolarHBondContact O-N 2.83Å; Q26-E30 HydrophobicContact CG-CG 4.41Å; Q26-E30 VanDerWaalsContact CG-OE1 3.25Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.49Å; Q26-E30 PolarHBondContact NE2-OE1 3.19Å; Q26-E30 WeakPolarHBondContact O-CB 3.42Å; Q26-E30 WeakPolarHBondContact O-CG 3.4Å; Q26-E30 PolarHBondContact O-N 2.99Å
27	H	94.1	Very high	92.5	Very high	30 Å²	30	58.2 Å²	58.2	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-45.4	179.7	-177.1	-148	0	0	0	112.1	K23 I24 K29 E30 G31 M37 N57 Y95	K23-H27 VanDerWaalsContact O-CB 3.24Å; K23-H27 WeakPolarHBondContact O-CB 3.35Å; K23-H27 PolarHBondContact O-N 3.09Å; I24-H27 PolarHBondContact O-N 3.33Å; H27-K29 VanDerWaalsContact C-N 3.29Å; H27-K29 PolarHBondContact O-N 2.5Å; H27-E30 PolarHBondContact O-N 3.28Å; H27-G31 PolarHBondContact O-N 3.04Å; H27-M37 PolarHBondContact CE1-O 3.36Å; H27-N57 WeakPolarHBondContact CE1-CB 3.25Å; H27-Y95 AromaticContact ND1-CE2 3.78Å; H27-Y95 AromaticContact ND1-CZ 3.67Å; H27-Y95 PolarHBondContact ND1-OH 2.86Å
28	A	93.1	Very high	92.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.4	-39	176.8	0	0	0	0	0	112.3	I24 Q26 A32 V36 V128 P130	I24-A28 WeakPolarHBondContact O-CB 3.46Å; I24-A28 PolarHBondContact O-N 2.87Å; Q26-A28 PolarHBondContact O-N 3.3Å; A28-A32 PolarHBondContact O-N 3.03Å; A28-V36 HydrophobicContact CB-CG2 4.47Å; A28-V128 HydrophobicContact CB-CG1 4Å; A28-P130 HydrophobicContact CB-CB 4.08Å; A28-P130 HydrophobicContact CB-CG 3.95Å
29	K	92.5	Very high	92.4	Very high	143 Å²	143	54.8 Å²	54.8	62%	0.622	29%	0.285	S	S	*	.	H	α-helix	trans	-71.9	-38.6	178.8	-170.4	172.2	-177.1	173.6	0	112.7	L25 Q26 H27 P130	L25-K29 VanDerWaalsContact O-CB 3.31Å; L25-K29 WeakPolarHBondContact O-CB 3.28Å; L25-K29 PolarHBondContact O-N 2.89Å; Q26-K29 PolarHBondContact O-N 2.83Å; H27-K29 VanDerWaalsContact C-N 3.29Å; H27-K29 PolarHBondContact O-N 2.5Å; K29-P130 HydrophobicContact CB-CB 4.26Å
30	E	92.5	Very high	92.5	Very high	135 Å²	135	50.7 Å²	50.7	63%	0.631	26%	0.263	S	S	*	.	H	α-helix	trans	-72.4	-31.6	177.6	-72.6	173.7	-175.9	0	0	112.4	Q26 H27	Q26-E30 HydrophobicContact CG-CG 4.41Å; Q26-E30 VanDerWaalsContact CG-OE1 3.25Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.49Å; Q26-E30 PolarHBondContact NE2-OE1 3.19Å; Q26-E30 WeakPolarHBondContact O-CB 3.42Å; Q26-E30 WeakPolarHBondContact O-CG 3.4Å; Q26-E30 PolarHBondContact O-N 2.99Å; H27-E30 PolarHBondContact O-N 3.28Å
31	G	89.6	Confident	92.4	Very high	19 Å²	19	50.9 Å²	50.9	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-76.9	-20.1	177.7	0	0	0	0	0	115.1	H27 L34	H27-G31 PolarHBondContact O-N 3.04Å; G31-L34 CarbonylContact C-O 3.53Å; G31-L34 PolarHBondContact O-N 3.28Å
32	A	88.6	Confident	92.5	Very high	31 Å²	31	49.8 Å²	49.8	26%	0.256	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.9	-178.3	0	0	0	0	0	112.4	A28 F131	A28-A32 PolarHBondContact O-N 3.03Å; A32-F131 HydrophobicContact CB-CE2 3.49Å; A32-F131 VanDerWaalsContact CB-CE2 3.49Å; A32-F131 HydrophobicContact CB-CZ 3.44Å; A32-F131 VanDerWaalsContact CB-CZ 3.44Å
33	P	90	Very high	92.6	Very high	120 Å²	120	46.1 Å²	46.1	78%	0.779	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.6	6.1	11.7	36.7	-37.7	0	0	0	114.9
34	L	89.6	Confident	92.5	Very high	112 Å²	112	45.6 Å²	45.6	59%	0.586	24%	0.241	S	C	*	.	S	Bend	trans	-83.4	149.3	179.6	-60.3	175.2	0	0	0	110.7	G31	G31-L34 CarbonylContact C-O 3.53Å; G31-L34 PolarHBondContact O-N 3.28Å
35	E	89.3	Confident	92.3	Very high	90 Å²	90	49.9 Å²	49.9	42%	0.421	26%	0.264	S	S	.	.			trans	-69.2	130.5	170	-58.4	-177.2	172	0	0	108.7	Q60 S97 H98	E35-Q60 PolarHBondContact O-NE2 2.98Å; E35-S97 WeakPolarHBondContact CA-OG 3.42Å; E35-S97 WeakPolarHBondContact CB-O 3.19Å; E35-S97 VanDerWaalsContact CG-O 3.27Å; E35-S97 WeakPolarHBondContact CG-O 3.33Å; E35-H98 IonicContact OE1-CD2 2.82Å; E35-H98 PolarHBondContact OE1-CD2 3.35Å; E35-H98 IonicContact OE1-NE2 3.72Å
36	V	91.4	Very high	92.2	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	27%	0.274	C	S	.	.			trans	-112.7	159.8	171.1	-65.9	0	0	0	0	109.9	A28 H96 S97	A28-V36 HydrophobicContact CB-CG2 4.47Å; V36-H96 CarbonylContact O-C 3.56Å; V36-H96 WeakPolarHBondContact O-CA 2.98Å; V36-H96 WeakPolarHBondContact O-CB 3.37Å; V36-S97 PolarHBondContact N-OG 3.31Å; V36-S97 PolarHBondContact O-N 3.31Å
37	M	92.4	Very high	91.8	Very high	19 Å²	19	53.4 Å²	53.4	9%	0.094	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.2	176.1	66.8	167.6	63.6	0	0	113	H27 I58 V65 V67 W94 Y95 H96	H27-M37 PolarHBondContact CE1-O 3.36Å; M37-I58 PolarHBondContact O-N 2.73Å; M37-I58 VanDerWaalsContact O-N 3.15Å; M37-V65 HydrophobicContact CE-CB 3.8Å; M37-V65 HydrophobicContact CE-CG1 3.94Å; M37-V65 WeakPolarHBondContact CE-O 3.38Å; M37-V65 HydrophobicContact CG-CB 4.34Å; M37-V65 HydrophobicContact CG-CG1 3.95Å; M37-V65 HydrophobicContact SD-CB 3.83Å; M37-V65 HydrophobicContact SD-CG1 3.28Å; M37-V65 WeakPolarHBondContact SD-CG1 3.24Å; M37-V67 HydrophobicContact CE-CG2 4.48Å; M37-V67 HydrophobicContact SD-CG2 3.79Å; M37-W94 HydrophobicContact CE-CZ3 4.33Å; M37-Y95 CarbonylContact C-O 3.54Å; M37-Y95 WeakPolarHBondContact CA-O 3.31Å; M37-Y95 VanDerWaalsContact CB-O 3.29Å; M37-Y95 WeakPolarHBondContact CB-O 3.37Å; M37-H96 HydrophobicContact CB-CB 3.97Å
38	G	92.3	Very high	91.5	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	-178.4	175.5	0	0	0	0	0	112.9	V56 W94 Y95	G38-V56 CarbonylContact C-O 3.54Å; G38-V56 WeakPolarHBondContact CA-O 3.36Å; G38-W94 CarbonylContact O-C 3.51Å; G38-W94 VanDerWaalsContact O-CA 3.3Å; G38-W94 WeakPolarHBondContact O-CA 3.29Å; G38-W94 WeakPolarHBondContact O-CB 3.14Å; G38-Y95 PolarHBondContact N-O 3.11Å; G38-Y95 WeakPolarHBondContact O-CD1 3.32Å; G38-Y95 PolarHBondContact O-N 3.29Å
39	L	92.4	Very high	91.5	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	148.6	179	-61.9	179.1	0	0	0	111.3	A55 V56 I58 L78 L82 I91 W94	L39-A55 WeakPolarHBondContact O-CA 3.24Å; L39-V56 PolarHBondContact N-O 2.96Å; L39-V56 PolarHBondContact O-N 3.14Å; L39-I58 HydrophobicContact CD1-CD1 4.36Å; L39-I58 HydrophobicContact CD2-CD1 3.99Å; L39-I58 HydrophobicContact CG-CD1 3.74Å; L39-I58 HydrophobicContact CG-CG1 4.3Å; L39-L78 HydrophobicContact CD1-CD2 3.38Å; L39-L78 HydrophobicContact CD1-CG 4.14Å; L39-L82 HydrophobicContact CD1-CD1 4.43Å; L39-I91 HydrophobicContact CD1-CD1 3.78Å; L39-I91 HydrophobicContact CD1-CG1 4.23Å; L39-I91 HydrophobicContact CD2-CG2 4.2Å; L39-W94 HydrophobicContact CD2-CB 4.43Å
40	L	94.9	Very high	91.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.1	173.5	-59	175.3	0	0	0	108.6	I24 V52 A55 I91 V92 G93 W94 Y95 I124 V126	I24-L40 HydrophobicContact CD1-CD2 3.66Å; I24-L40 HydrophobicContact CG1-CD2 4.47Å; L40-V52 HydrophobicContact CB-CG1 4.12Å; L40-V52 HydrophobicContact CD1-CG2 4.49Å; L40-V52 HydrophobicContact CD2-CG1 4.01Å; L40-A55 HydrophobicContact CD2-CB 4.3Å; L40-I91 WeakPolarHBondContact O-CA 3.32Å; L40-V92 HydrophobicContact CB-CG2 3.9Å; L40-V92 PolarHBondContact O-N 2.69Å; L40-G93 PolarHBondContact N-O 2.79Å; L40-W94 WeakPolarHBondContact CD1-O 3.29Å; L40-Y95 HydrophobicContact CD2-CD1 3.66Å; L40-Y95 HydrophobicContact CD2-CG 4.29Å; L40-Y95 HydrophobicContact CG-CD1 4.28Å; L40-I124 HydrophobicContact CD1-CD1 3.96Å; L40-I124 HydrophobicContact CD1-CG1 3.9Å; L40-V126 HydrophobicContact CD1-CB 4.03Å; L40-V126 HydrophobicContact CD1-CG2 3.5Å; L40-V126 VanDerWaalsContact CD1-CG2 3.5Å
41	M	94.1	Very high	91.8	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143	176.7	-54.2	-53.9	-59.3	0	0	109.6	T53 D54 V56 L82 Y87 E89 E90 I91	M41-T53 PolarHBondContact O-N 2.85Å; M41-T53 PolarHBondContact O-OG1 3.32Å; M41-D54 HydrophobicContact CB-CB 4.3Å; M41-D54 PolarHBondContact N-O 3.37Å; M41-D54 PolarHBondContact O-N 3.22Å; M41-V56 HydrophobicContact CG-CG2 3.91Å; M41-L82 HydrophobicContact CE-CD1 4.1Å; M41-L82 HydrophobicContact SD-CD1 3.91Å; M41-Y87 HydrophobicContact CG-CD1 4.24Å; M41-E89 WeakPolarHBondContact CE-O 3.36Å; M41-E90 CarbonylContact C-O 3.58Å; M41-E90 WeakPolarHBondContact CA-O 3.36Å; M41-I91 HydrophobicContact CE-CG1 4.1Å; M41-I91 HydrophobicContact SD-CG1 3.86Å
42	G	94.9	Very high	92.1	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-142.1	172.3	0	0	0	0	0	113.5	T51 T53 E90 V92	G42-T51 VanDerWaalsContact CA-O 3.31Å; G42-T51 WeakPolarHBondContact CA-O 3.27Å; G42-T53 VanDerWaalsContact CA-OG1 3.3Å; G42-T53 WeakPolarHBondContact CA-OG1 3.47Å; G42-E90 PolarHBondContact N-O 3.34Å; G42-E90 PolarHBondContact O-N 3.42Å; G42-E90 VanDerWaalsContact O-N 3.11Å; G42-V92 VanDerWaalsContact C-CG1 3.47Å
43	S	94.5	Very high	92.4	Very high	36 Å²	36	42.5 Å²	42.5	25%	0.252	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	153.5	-172.5	56.7	0	0	0	0	113.2	D45 T51	S43-D45 PolarHBondContact OG-OD1 2.78Å; S43-T51 PolarHBondContact N-O 3.36Å; S43-T51 PolarHBondContact O-N 2.92Å
44	F	94.1	Very high	92.6	Very high	53 Å²	53	37.8 Å²	37.8	23%	0.232	19%	0.189	C	C	.	.			trans	-96	86.5	166.8	-65	-71.2	0	0	0	109.4	D46 V50 V92 C120 R122	F44-D46 VanDerWaalsContact C-N 3.31Å; F44-D46 PolarHBondContact O-N 2.89Å; F44-V50 HydrophobicContact CD1-CG1 4.28Å; F44-V50 HydrophobicContact CD1-CG2 3.94Å; F44-V50 HydrophobicContact CE1-CG1 4Å; F44-V50 HydrophobicContact CE1-CG2 3.9Å; F44-V92 HydrophobicContact CD2-CG1 4.26Å; F44-V92 HydrophobicContact CE1-CB 4.33Å; F44-V92 HydrophobicContact CE1-CG1 4.38Å; F44-V92 HydrophobicContact CE2-CB 4.3Å; F44-V92 HydrophobicContact CE2-CG1 3.87Å; F44-V92 HydrophobicContact CZ-CB 3.91Å; F44-V92 HydrophobicContact CZ-CG1 3.94Å; F44-C120 WeakPolarHBondContact CZ-SG 3.46Å; F44-R122 HydrophobicContact CD1-CB 4.03Å; F44-R122 HydrophobicContact CE1-CB 3.49Å; F44-R122 VanDerWaalsContact CE1-CB 3.49Å; F44-R122 HydrophobicContact CZ-CB 4.01Å
45	D	91.8	Very high	92.9	Very high	90 Å²	90	32.6 Å²	32.6	48%	0.481	16%	0.162	S	C	.	.			trans	-62.3	-38.2	-171.9	-63	-18.2	0	0	0	112.9	S43 T49 T51	S43-D45 PolarHBondContact OG-OD1 2.78Å; D45-T49 HydrophobicContact CB-CG2 4.42Å; D45-T49 PolarHBondContact N-O 3.05Å; D45-T51 WeakPolarHBondContact OD2-CB 3.21Å; D45-T51 PolarHBondContact OD2-OG1 3.49Å
46	D	90.5	Very high	93	Very high	77 Å²	77	29.4 Å²	29.4	41%	0.412	15%	0.149	S	C	.	.	S	Bend	trans	-151.1	-168.1	172.8	64.1	33.8	0	0	0	109.6	F44 Y48 T49 R122	F44-D46 VanDerWaalsContact C-N 3.31Å; F44-D46 PolarHBondContact O-N 2.89Å; D46-Y48 PolarHBondContact O-N 3.15Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.49Å; D46-Y48 PolarHBondContact OD1-N 3.09Å; D46-T49 WeakPolarHBondContact OD1-CB 3.28Å; D46-T49 PolarHBondContact OD1-N 3.42Å; D46-T49 PolarHBondContact OD1-OG1 3.48Å; D46-T49 VanDerWaalsContact OD1-OG1 3.14Å; D46-T49 PolarHBondContact OD2-OG1 2.9Å; D46-R122 PolarHBondContact O-NH1 3.38Å; D46-R122 PolarHBondContact O-NH2 3.18Å
47	K	86.2	Confident	92.8	Very high	147 Å²	147	33.5 Å²	33.5	64%	0.639	17%	0.17	S	C	*	.	S	Bend	trans	-65.3	-17.6	-179.5	-71.5	-173.5	179.1	-178	0	114.5	R122 R156	K47-R122 PolarHBondContact O-NH2 2.91Å; K47-R156 PolarHBondContact O-NH1 3.25Å; K47-R156 PolarHBondContact O-NH2 3.01Å
48	Y	87.6	Confident	92.3	Very high	80 Å²	80	33.7 Å²	33.7	31%	0.314	17%	0.172	S	C	.	.	S	Bend	trans	-126.8	-11.6	-166.2	-54	-52.7	0	0	0	113.3	T10 E12 K13 D46	T10-Y48 VanDerWaalsContact CB-CD1 3.42Å; T10-Y48 HydrophobicContact CG2-CD1 4.02Å; T10-Y48 HydrophobicContact CG2-CE1 3.28Å; T10-Y48 WeakPolarHBondContact O-CB 3.42Å; T10-Y48 WeakPolarHBondContact O-CD1 3.39Å; E12-Y48 CarbonylContact C-O 3.49Å; E12-Y48 WeakPolarHBondContact CA-O 3.17Å; E12-Y48 VanDerWaalsContact CG-O 3.3Å; E12-Y48 WeakPolarHBondContact CG-O 3.31Å; K13-Y48 PolarHBondContact N-O 2.95Å; D46-Y48 PolarHBondContact O-N 3.15Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.49Å; D46-Y48 PolarHBondContact OD1-N 3.09Å
49	T	92.1	Very high	91.1	Very high	15 Å²	15	38.5 Å²	38.5	9%	0.092	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.6	-177.7	-52.1	0	0	0	0	108.7	K13 L15 D45 D46 R122	K13-T49 HydrophobicContact CG-CG2 4.43Å; L15-T49 HydrophobicContact CD1-CG2 3.65Å; L15-T49 HydrophobicContact CG-CG2 3.75Å; D45-T49 HydrophobicContact CB-CG2 4.42Å; D45-T49 PolarHBondContact N-O 3.05Å; D46-T49 WeakPolarHBondContact OD1-CB 3.28Å; D46-T49 PolarHBondContact OD1-N 3.42Å; D46-T49 PolarHBondContact OD1-OG1 3.48Å; D46-T49 VanDerWaalsContact OD1-OG1 3.14Å; D46-T49 PolarHBondContact OD2-OG1 2.9Å; T49-R122 PolarHBondContact O-NH2 3.06Å; T49-R122 VanDerWaalsContact O-NH2 3.14Å
50	V	94.9	Very high	89.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118	168.6	-174.4	0	0	0	0	107.1	K13 V14 L15 F44 V92 I124	K13-V50 PolarHBondContact O-N 3.03Å; V14-V50 CarbonylContact C-O 3.51Å; V14-V50 VanDerWaalsContact CA-O 3.31Å; V14-V50 WeakPolarHBondContact CA-O 3.48Å; L15-V50 PolarHBondContact N-O 3.45Å; F44-V50 HydrophobicContact CD1-CG1 4.28Å; F44-V50 HydrophobicContact CD1-CG2 3.94Å; F44-V50 HydrophobicContact CE1-CG1 4Å; F44-V50 HydrophobicContact CE1-CG2 3.9Å; V50-V92 HydrophobicContact CG1-CB 3.8Å; V50-V92 HydrophobicContact CG1-CG1 4.29Å; V50-V92 HydrophobicContact CG1-CG2 4.08Å; V50-I124 HydrophobicContact CG1-CD1 4.16Å; V50-I124 HydrophobicContact CG2-CG2 4.29Å
51	T	96.3	Very high	87.4	Confident	8 Å²	8	48.4 Å²	48.4	5%	0.049	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	121.4	176.6	-71.1	0	0	0	0	109.1	L15 G42 S43 D45 T53	L15-T51 HydrophobicContact CB-CG2 4.47Å; L15-T51 WeakPolarHBondContact O-CA 3.42Å; G42-T51 VanDerWaalsContact CA-O 3.31Å; G42-T51 WeakPolarHBondContact CA-O 3.27Å; S43-T51 PolarHBondContact N-O 3.36Å; S43-T51 PolarHBondContact O-N 2.92Å; D45-T51 WeakPolarHBondContact OD2-CB 3.21Å; D45-T51 PolarHBondContact OD2-OG1 3.49Å; T51-T53 HydrophobicContact CG2-CG2 3.89Å
52	V	96.9	Very high	85.5	Confident	0 Å²	0	51 Å²	51	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108.9	173.8	-176.6	0	0	0	0	108.2	V14 L15 M16 K17 A20 L40 V92 I124	V14-V52 HydrophobicContact CG1-CG2 3.86Å; L15-V52 PolarHBondContact O-N 3.43Å; M16-V52 HydrophobicContact CE-CB 3.87Å; M16-V52 HydrophobicContact CE-CG1 3.93Å; M16-V52 HydrophobicContact CE-CG2 3.94Å; K17-V52 WeakPolarHBondContact CB-O 3.47Å; K17-V52 WeakPolarHBondContact CG-O 3.43Å; K17-V52 PolarHBondContact N-O 2.77Å; A20-V52 HydrophobicContact CB-CG1 3.79Å; L40-V52 HydrophobicContact CB-CG1 4.12Å; L40-V52 HydrophobicContact CD1-CG2 4.49Å; L40-V52 HydrophobicContact CD2-CG1 4.01Å; V52-V92 HydrophobicContact CG2-CG2 4.03Å; V52-I124 HydrophobicContact CG2-CD1 3.83Å
53	T	94.9	Very high	83.1	Confident	27 Å²	27	58.2 Å²	58.2	17%	0.166	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-40.3	-176.5	47	0	0	0	0	112.1	K17 M41 G42 T51 E89	K17-T53 HydrophobicContact CG-CG2 4.24Å; M41-T53 PolarHBondContact O-N 2.85Å; M41-T53 PolarHBondContact O-OG1 3.32Å; G42-T53 VanDerWaalsContact CA-OG1 3.3Å; G42-T53 WeakPolarHBondContact CA-OG1 3.47Å; T51-T53 HydrophobicContact CG2-CG2 3.89Å; T53-E89 WeakPolarHBondContact CB-OE2 3.08Å; T53-E89 VanDerWaalsContact CG2-OE1 3.24Å; T53-E89 WeakPolarHBondContact CG2-OE1 3.27Å; T53-E89 PolarHBondContact OG1-OE1 3.03Å; T53-E89 PolarHBondContact OG1-OE2 2.93Å
54	D	94.5	Very high	80.6	Confident	20 Å²	20	65.2 Å²	65.2	11%	0.107	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.9	-178.3	-148.8	-11.6	0	0	0	112.4	K23 M41 Y87	K23-D54 WeakPolarHBondContact CD-OD1 3.31Å; K23-D54 WeakPolarHBondContact CE-OD1 3.33Å; K23-D54 IonicContact NZ-OD1 3.98Å; K23-D54 PolarHBondContact NZ-OD1 3.3Å; K23-D54 IonicContact NZ-OD2 3.17Å; K23-D54 PolarHBondContact NZ-OD2 2.81Å; M41-D54 HydrophobicContact CB-CB 4.3Å; M41-D54 PolarHBondContact N-O 3.37Å; M41-D54 PolarHBondContact O-N 3.22Å; D54-Y87 HydrophobicContact CB-CE1 4.32Å; D54-Y87 VanDerWaalsContact OD2-CE1 3.31Å; D54-Y87 WeakPolarHBondContact OD2-CE1 3.44Å
55	A	93.9	Very high	78.1	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.033	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138	176.2	0	0	0	0	0	110.4	A20 K23 I24 L39 L40 Y95	A20-A55 HydrophobicContact CB-CB 4.47Å; K23-A55 HydrophobicContact CB-CB 4.33Å; K23-A55 VanDerWaalsContact CD-O 3.28Å; K23-A55 WeakPolarHBondContact CD-O 3.24Å; I24-A55 HydrophobicContact CD1-CB 3.98Å; I24-A55 HydrophobicContact CG1-CB 3.5Å; L39-A55 WeakPolarHBondContact O-CA 3.24Å; L40-A55 HydrophobicContact CD2-CB 4.3Å; A55-Y95 HydrophobicContact CB-CE1 4.03Å
56	V	91.6	Very high	76.1	Confident	22 Å²	22	62.3 Å²	62.3	13%	0.133	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.9	179.3	-175.8	0	0	0	0	108.8	G38 L39 M41 L82 Y87	G38-V56 CarbonylContact C-O 3.54Å; G38-V56 WeakPolarHBondContact CA-O 3.36Å; L39-V56 PolarHBondContact N-O 2.96Å; L39-V56 PolarHBondContact O-N 3.14Å; M41-V56 HydrophobicContact CG-CG2 3.91Å; V56-L82 HydrophobicContact CB-CD2 4.21Å; V56-L82 HydrophobicContact CG1-CD2 3.94Å; V56-L82 HydrophobicContact CG2-CD2 3.79Å; V56-Y87 HydrophobicContact CG2-CD1 4.15Å; V56-Y87 HydrophobicContact CG2-CD2 4.42Å; V56-Y87 HydrophobicContact CG2-CE1 3.65Å; V56-Y87 HydrophobicContact CG2-CE2 3.97Å
57	N	88.8	Confident	74.1	Confident	95 Å²	95	59.5 Å²	59.5	51%	0.508	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	138.7	175.5	53.6	-4.2	0	0	0	110.8	H27	H27-N57 WeakPolarHBondContact CE1-CB 3.25Å
58	I	80.4	Confident	72.3	Confident	24 Å²	24	57.2 Å²	57.2	12%	0.123	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-96.8	123.3	168.5	-66.5	167.5	0	0	0	106.8	M37 L39 Q60	M37-I58 PolarHBondContact O-N 2.73Å; M37-I58 VanDerWaalsContact O-N 3.15Å; L39-I58 HydrophobicContact CD1-CD1 4.36Å; L39-I58 HydrophobicContact CD2-CD1 3.99Å; L39-I58 HydrophobicContact CG-CD1 3.74Å; L39-I58 HydrophobicContact CG-CG1 4.3Å; I58-Q60 PolarHBondContact O-N 3.22Å
59	P	68.6	Low	70.6	Confident	101 Å²	101	61.5 Å²	61.5	66%	0.656	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-59.7	128.6	174.7	-18	29	0	0	0	109.8	V61	P59-V61 PolarHBondContact O-N 2.7Å; P59-V61 VanDerWaalsContact O-N 3.16Å
60	Q	62.5	Low	68.6	Low	79 Å²	79	61.9 Å²	61.9	37%	0.369	35%	0.347	S	S	.	.			trans	-68.2	115.2	172.8	-61.2	-152.4	-54.1	0	0	109.7	E35 I58 V65	E35-Q60 PolarHBondContact O-NE2 2.98Å; I58-Q60 PolarHBondContact O-N 3.22Å; Q60-V65 HydrophobicContact CB-CG2 3.77Å; Q60-V65 HydrophobicContact CG-CG2 3.71Å
61	V	47.2	Very low	66.7	Low	134 Å²	134	66.2 Å²	66.2	81%	0.812	37%	0.371	S	S	*	.			trans	-97.1	91.5	168.1	-172.1	0	0	0	0	107.7	P59	P59-V61 PolarHBondContact O-N 2.7Å; P59-V61 VanDerWaalsContact O-N 3.16Å
62	G	52.5	Low	64.9	Low	57 Å²	57	69.1 Å²	69.1	59%	0.588	39%	0.392	S	S	*	.	S	Bend	trans	95.8	-162.2	176.6	0	0	0	0	0	115.4
63	T	44.4	Very low	63.5	Low	153 Å²	153	73.5 Å²	73.5	94%	0.939	42%	0.418	S	S	*	.	S	Bend	trans	-91	-7.4	-173.6	21.5	0	0	0	0	115.2
64	K	42.1	Very low	62	Low	184 Å²	184	77.9 Å²	77.9	80%	0.8	43%	0.433	S	S	*	.			trans	-137.6	112.9	175	-69.7	-171.4	176.6	-168.3	0	107.5
65	V	42.9	Very low	60.4	Low	37 Å²	37	78.7 Å²	78.7	22%	0.224	44%	0.436	C	S	.	.			trans	-96.7	95.5	166.3	-169.1	0	0	0	0	105.3	M37 Q60	M37-V65 HydrophobicContact CE-CB 3.8Å; M37-V65 HydrophobicContact CE-CG1 3.94Å; M37-V65 WeakPolarHBondContact CE-O 3.38Å; M37-V65 HydrophobicContact CG-CB 4.34Å; M37-V65 HydrophobicContact CG-CG1 3.95Å; M37-V65 HydrophobicContact SD-CB 3.83Å; M37-V65 HydrophobicContact SD-CG1 3.28Å; M37-V65 WeakPolarHBondContact SD-CG1 3.24Å; Q60-V65 HydrophobicContact CB-CG2 3.77Å; Q60-V65 HydrophobicContact CG-CG2 3.71Å
66	S	49.5	Very low	59.1	Low	45 Å²	45	82.7 Å²	82.7	32%	0.315	46%	0.46	S	S	.	.			trans	-94.7	124.6	163.7	54.8	0	0	0	0	107.1	E68 E69	S66-E68 PolarHBondContact O-N 3.35Å; S66-E69 PolarHBondContact O-N 3.33Å
67	V	49.4	Very low	58.1	Low	18 Å²	18	86.4 Å²	86.4	11%	0.109	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-61.1	-9	168.2	-174.7	0	0	0	0	110.6	M37 E69 M70 T112 L116	M37-V67 HydrophobicContact CE-CG2 4.48Å; M37-V67 HydrophobicContact SD-CG2 3.79Å; V67-E69 PolarHBondContact O-N 2.99Å; V67-E69 VanDerWaalsContact O-N 3.14Å; V67-M70 HydrophobicContact CG1-CG 3.76Å; V67-M70 HydrophobicContact CG1-SD 3.21Å; V67-M70 WeakPolarHBondContact CG1-SD 3.35Å; V67-M70 WeakPolarHBondContact O-CB 3.49Å; V67-M70 VanDerWaalsContact O-CG 3.23Å; V67-M70 WeakPolarHBondContact O-CG 3.38Å; V67-M70 PolarHBondContact O-N 2.67Å; V67-T112 HydrophobicContact CB-CG2 3.65Å; V67-T112 HydrophobicContact CG1-CG2 4.43Å; V67-T112 HydrophobicContact CG2-CG2 3.53Å; V67-L116 HydrophobicContact CG1-CD1 4.28Å; V67-L116 HydrophobicContact CG1-CD2 4.05Å; V67-L116 HydrophobicContact CG1-CG 4.2Å
68	E	48.2	Very low	57.3	Low	99 Å²	99	83 Å²	83	46%	0.463	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-58.2	-19.3	176.9	-59.8	177.8	174.5	0	0	114.5	S66 M70 N111	S66-E68 PolarHBondContact O-N 3.35Å; E68-M70 VanDerWaalsContact C-N 3.27Å; E68-N111 PolarHBondContact OE1-ND2 2.76Å
69	E	50.4	Low	56.9	Low	169 Å²	169	84.1 Å²	84.1	79%	0.79	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-87.1	8.2	173	-65.8	-169.3	174.1	0	0	113.8	S66 V67 D71	S66-E69 PolarHBondContact O-N 3.33Å; V67-E69 PolarHBondContact O-N 2.99Å; V67-E69 VanDerWaalsContact O-N 3.14Å; E69-D71 PolarHBondContact O-N 3.01Å
70	M	51.7	Low	57.3	Low	23 Å²	23	83.1 Å²	83.1	11%	0.113	46%	0.459	C	S	.	.			trans	-69	75.2	169.7	-74.9	-171.7	126.1	0	0	111	V67 E68 Y74 Q75 L78 L116	V67-M70 HydrophobicContact CG1-CG 3.76Å; V67-M70 HydrophobicContact CG1-SD 3.21Å; V67-M70 WeakPolarHBondContact CG1-SD 3.35Å; V67-M70 WeakPolarHBondContact O-CB 3.49Å; V67-M70 VanDerWaalsContact O-CG 3.23Å; V67-M70 WeakPolarHBondContact O-CG 3.38Å; V67-M70 PolarHBondContact O-N 2.67Å; E68-M70 VanDerWaalsContact C-N 3.27Å; M70-Y74 HydrophobicContact CG-CD1 4.37Å; M70-Q75 HydrophobicContact CB-CG 3.81Å; M70-Q75 HydrophobicContact CE-CG 3.6Å; M70-Q75 HydrophobicContact CG-CG 4.04Å; M70-Q75 HydrophobicContact SD-CG 3.83Å; M70-Q75 PolarHBondContact SD-NE2 2.86Å; M70-L78 HydrophobicContact CE-CD2 4Å; M70-L116 HydrophobicContact SD-CD2 4.14Å
71	D	53.6	Low	58.1	Low	91 Å²	91	84.2 Å²	84.2	49%	0.487	47%	0.466	S	S	.	.			trans	-53.7	141.9	153.7	176.3	16	0	0	0	108.2	E69 T73 Y74 Q75	E69-D71 PolarHBondContact O-N 3.01Å; D71-T73 VanDerWaalsContact CG-OG1 3.24Å; D71-T73 PolarHBondContact O-N 2.85Å; D71-T73 PolarHBondContact OD1-N 3.14Å; D71-T73 PolarHBondContact OD1-OG1 3.35Å; D71-T73 VanDerWaalsContact OD2-CB 3.31Å; D71-T73 WeakPolarHBondContact OD2-CB 3.37Å; D71-T73 PolarHBondContact OD2-OG1 2.8Å; D71-Y74 WeakPolarHBondContact O-CA 3.18Å; D71-Y74 WeakPolarHBondContact O-CB 2.86Å; D71-Y74 PolarHBondContact O-N 3.42Å; D71-Q75 PolarHBondContact O-N 3.02Å; D71-Q75 VanDerWaalsContact O-N 3.15Å
72	S	59.7	Low	59.7	Low	70 Å²	70	78.4 Å²	78.4	49%	0.49	43%	0.43	S	S	.	.	H	α-helix	trans	-40.8	-36.3	169.8	60.7	0	0	0	0	113	T76	S72-T76 WeakPolarHBondContact O-CB 3.21Å; S72-T76 PolarHBondContact O-N 2.91Å; S72-T76 PolarHBondContact O-OG1 3.37Å
73	T	66	Low	61.2	Low	92 Å²	92	82.7 Å²	82.7	56%	0.564	43%	0.432	S	S	*	.	H	α-helix	trans	-66.2	-42.7	177	-31.1	0	0	0	0	112.8	D71 T76 H77	D71-T73 VanDerWaalsContact CG-OG1 3.24Å; D71-T73 PolarHBondContact O-N 2.85Å; D71-T73 PolarHBondContact OD1-N 3.14Å; D71-T73 PolarHBondContact OD1-OG1 3.35Å; D71-T73 VanDerWaalsContact OD2-CB 3.31Å; D71-T73 WeakPolarHBondContact OD2-CB 3.37Å; D71-T73 PolarHBondContact OD2-OG1 2.8Å; T73-T76 PolarHBondContact O-N 2.89Å; T73-H77 VanDerWaalsContact O-CB 3.31Å; T73-H77 WeakPolarHBondContact O-CB 3.3Å; T73-H77 PolarHBondContact O-N 2.89Å
74	Y	64	Low	63	Low	118 Å²	118	83.5 Å²	83.5	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-68.3	-39.8	177.8	-173.7	-95.9	0	0	0	111.2	M70 D71 H77 L78	M70-Y74 HydrophobicContact CG-CD1 4.37Å; D71-Y74 WeakPolarHBondContact O-CA 3.18Å; D71-Y74 WeakPolarHBondContact O-CB 2.86Å; D71-Y74 PolarHBondContact O-N 3.42Å; Y74-H77 PolarHBondContact O-N 2.8Å; Y74-L78 HydrophobicContact CE1-CD2 4.18Å; Y74-L78 VanDerWaalsContact O-CB 3.23Å; Y74-L78 WeakPolarHBondContact O-CB 3.42Å; Y74-L78 PolarHBondContact O-N 2.91Å
75	Q	61.2	Low	64.9	Low	38 Å²	38	78.2 Å²	78.2	18%	0.178	41%	0.413	C	S	.	.	H	α-helix	trans	-65.7	-43	175.9	-60.4	-159.4	4.6	0	0	112.2	M70 D71 H77 L78 A79	M70-Q75 HydrophobicContact CB-CG 3.81Å; M70-Q75 HydrophobicContact CE-CG 3.6Å; M70-Q75 HydrophobicContact CG-CG 4.04Å; M70-Q75 HydrophobicContact SD-CG 3.83Å; M70-Q75 PolarHBondContact SD-NE2 2.86Å; D71-Q75 PolarHBondContact O-N 3.02Å; D71-Q75 VanDerWaalsContact O-N 3.15Å; Q75-H77 VanDerWaalsContact C-N 3.26Å; Q75-H77 PolarHBondContact O-N 2.91Å; Q75-L78 PolarHBondContact O-N 3.11Å; Q75-A79 WeakPolarHBondContact O-CB 3.31Å; Q75-A79 PolarHBondContact O-N 3.24Å
76	T	66.7	Low	66.8	Low	87 Å²	87	79.1 Å²	79.1	53%	0.534	43%	0.43	S	S	.	.	H	α-helix	trans	-61.8	-41.7	176.3	-50.4	0	0	0	0	110	S72 T73 A79 D80	S72-T76 WeakPolarHBondContact O-CB 3.21Å; S72-T76 PolarHBondContact O-N 2.91Å; S72-T76 PolarHBondContact O-OG1 3.37Å; T73-T76 PolarHBondContact O-N 2.89Å; T76-A79 PolarHBondContact O-N 3.46Å; T76-D80 WeakPolarHBondContact O-CB 3.31Å; T76-D80 PolarHBondContact O-N 3.44Å
77	H	70.6	Confident	68.5	Low	101 Å²	101	79.9 Å²	79.9	47%	0.468	43%	0.426	S	S	.	.	H	α-helix	trans	-65	-41.2	175.6	-167	59.9	0	0	0	112.4	T73 Y74 Q75 D80 M81	T73-H77 VanDerWaalsContact O-CB 3.31Å; T73-H77 WeakPolarHBondContact O-CB 3.3Å; T73-H77 PolarHBondContact O-N 2.89Å; Y74-H77 PolarHBondContact O-N 2.8Å; Q75-H77 VanDerWaalsContact C-N 3.26Å; Q75-H77 PolarHBondContact O-N 2.91Å; H77-D80 PolarHBondContact O-N 2.87Å; H77-M81 WeakPolarHBondContact O-CB 3.42Å; H77-M81 VanDerWaalsContact O-CG 3.31Å; H77-M81 WeakPolarHBondContact O-CG 3.42Å; H77-M81 PolarHBondContact O-N 3.48Å
78	L	71.7	Confident	70.1	Confident	24 Å²	24	85 Å²	85	13%	0.126	46%	0.458	C	S	.	.	H	α-helix	trans	-66.1	-44.9	177.9	-176	58.6	0	0	0	111	L39 M70 Y74 Q75 D80 M81 L82	L39-L78 HydrophobicContact CD1-CD2 3.38Å; L39-L78 HydrophobicContact CD1-CG 4.14Å; M70-L78 HydrophobicContact CE-CD2 4Å; Y74-L78 HydrophobicContact CE1-CD2 4.18Å; Y74-L78 VanDerWaalsContact O-CB 3.23Å; Y74-L78 WeakPolarHBondContact O-CB 3.42Å; Y74-L78 PolarHBondContact O-N 2.91Å; Q75-L78 PolarHBondContact O-N 3.11Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 2.8Å; L78-M81 PolarHBondContact O-N 3.43Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD1-CG 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.13Å; L78-L82 VanDerWaalsContact O-CB 3.29Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 2.79Å
79	A	72	Confident	72	Confident	47 Å²	47	83.9 Å²	83.9	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-60	-42.7	173.3	0	0	0	0	0	111.4	Q75 T76 L82 K83	Q75-A79 WeakPolarHBondContact O-CB 3.31Å; Q75-A79 PolarHBondContact O-N 3.24Å; T76-A79 PolarHBondContact O-N 3.46Å; A79-L82 PolarHBondContact O-N 2.9Å; A79-K83 VanDerWaalsContact O-CB 3.29Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.11Å
80	D	77.4	Confident	73.9	Confident	79 Å²	79	82 Å²	82	42%	0.422	44%	0.444	S	S	.	.	H	α-helix	trans	-65.6	-40.2	175	-91.2	-6.6	0	0	0	112.5	T76 H77 L78 K83 K84	T76-D80 WeakPolarHBondContact O-CB 3.31Å; T76-D80 PolarHBondContact O-N 3.44Å; H77-D80 PolarHBondContact O-N 2.87Å; L78-D80 VanDerWaalsContact C-N 3.33Å; L78-D80 PolarHBondContact O-N 2.8Å; D80-K83 PolarHBondContact O-N 2.89Å; D80-K84 WeakPolarHBondContact O-CB 3.3Å; D80-K84 VanDerWaalsContact O-CG 3.27Å; D80-K84 WeakPolarHBondContact O-CG 3.46Å; D80-K84 PolarHBondContact O-N 2.97Å
81	M	78.6	Confident	75.7	Confident	103 Å²	103	83.2 Å²	83.2	51%	0.507	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-44.9	175.4	-80.1	-171.8	64.5	0	0	111.3	H77 L78 K83 K84 A85	H77-M81 WeakPolarHBondContact O-CB 3.42Å; H77-M81 VanDerWaalsContact O-CG 3.31Å; H77-M81 WeakPolarHBondContact O-CG 3.42Å; H77-M81 PolarHBondContact O-N 3.48Å; L78-M81 PolarHBondContact O-N 3.43Å; M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.22Å; M81-K84 PolarHBondContact O-N 2.89Å; M81-A85 WeakPolarHBondContact O-CB 3.15Å; M81-A85 PolarHBondContact O-N 3.47Å
82	L	81.3	Confident	77.6	Confident	11 Å²	11	78.9 Å²	78.9	6%	0.058	43%	0.427	C	S	.	.	H	α-helix	trans	-58.4	-46.9	174.9	-74.5	171.2	0	0	0	110.2	L39 M41 V56 L78 A79 K84 A85 G86 Y87 I91	L39-L82 HydrophobicContact CD1-CD1 4.43Å; M41-L82 HydrophobicContact CE-CD1 4.1Å; M41-L82 HydrophobicContact SD-CD1 3.91Å; V56-L82 HydrophobicContact CB-CD2 4.21Å; V56-L82 HydrophobicContact CG1-CD2 3.94Å; V56-L82 HydrophobicContact CG2-CD2 3.79Å; L78-L82 HydrophobicContact CD1-CD1 4.48Å; L78-L82 HydrophobicContact CD1-CG 4.42Å; L78-L82 HydrophobicContact CG-CD1 4.13Å; L78-L82 VanDerWaalsContact O-CB 3.29Å; L78-L82 WeakPolarHBondContact O-CB 3.36Å; L78-L82 WeakPolarHBondContact O-CG 3.45Å; L78-L82 PolarHBondContact O-N 2.79Å; A79-L82 PolarHBondContact O-N 2.9Å; L82-K84 PolarHBondContact O-N 3.34Å; L82-A85 CarbonylContact O-C 3.6Å; L82-A85 WeakPolarHBondContact O-CA 3.02Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.09Å; L82-G86 PolarHBondContact O-N 2.79Å; L82-G86 VanDerWaalsContact O-N 3.15Å; L82-Y87 HydrophobicContact CB-CD2 4.4Å; L82-Y87 HydrophobicContact CD2-CD2 3.71Å; L82-Y87 HydrophobicContact CD2-CE2 4.19Å; L82-Y87 HydrophobicContact CD2-CG 4.16Å; L82-Y87 WeakPolarHBondContact O-CB 3.29Å; L82-Y87 PolarHBondContact O-N 3.32Å; L82-I91 HydrophobicContact CD1-CD1 4.35Å; L82-I91 HydrophobicContact CD1-CG1 4.44Å
83	K	83.5	Confident	79.3	Confident	148 Å²	148	75.8 Å²	75.8	64%	0.643	41%	0.406	S	S	*	.	H	α-helix	trans	-60.8	-41.9	176.4	-166.3	172.4	-176.4	174.1	0	112.8	A79 D80 M81 A85 G86 Y87	A79-K83 VanDerWaalsContact O-CB 3.29Å; A79-K83 WeakPolarHBondContact O-CB 3.38Å; A79-K83 PolarHBondContact O-N 3.11Å; D80-K83 PolarHBondContact O-N 2.89Å; M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.22Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-G86 PolarHBondContact O-N 3.15Å; K83-Y87 VanDerWaalsContact CA-O 3.29Å; K83-Y87 WeakPolarHBondContact CA-O 3.29Å
84	K	83	Confident	80.7	Confident	170 Å²	170	71.5 Å²	71.5	74%	0.739	38%	0.379	S	S	*	.	H	α-helix	trans	-66.7	-32.6	174.2	-74.5	170.5	-175.5	170.6	0	112.8	D80 M81 L82 G86	D80-K84 WeakPolarHBondContact O-CB 3.3Å; D80-K84 VanDerWaalsContact O-CG 3.27Å; D80-K84 WeakPolarHBondContact O-CG 3.46Å; D80-K84 PolarHBondContact O-N 2.97Å; M81-K84 PolarHBondContact O-N 2.89Å; L82-K84 PolarHBondContact O-N 3.34Å; K84-G86 PolarHBondContact O-N 3.37Å
85	A	80.9	Confident	82.2	Confident	73 Å²	73	66 Å²	66	60%	0.603	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.8	174.9	0	0	0	0	0	113.3	M81 L82 K83 Y87	M81-A85 WeakPolarHBondContact O-CB 3.15Å; M81-A85 PolarHBondContact O-N 3.47Å; L82-A85 CarbonylContact O-C 3.6Å; L82-A85 WeakPolarHBondContact O-CA 3.02Å; L82-A85 PolarHBondContact O-N 3.47Å; L82-A85 VanDerWaalsContact O-N 3.09Å; K83-A85 VanDerWaalsContact C-N 3.32Å; A85-Y87 HydrophobicContact CB-CD2 3.97Å; A85-Y87 HydrophobicContact CB-CE2 4.14Å
86	G	84.1	Confident	83.8	Confident	55 Å²	55	64.3 Å²	64.3	57%	0.567	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	96	1.6	176.6	0	0	0	0	0	114.7	L82 K83 K84 T88	L82-G86 PolarHBondContact O-N 2.79Å; L82-G86 VanDerWaalsContact O-N 3.15Å; K83-G86 PolarHBondContact O-N 3.15Å; K84-G86 PolarHBondContact O-N 3.37Å; G86-T88 PolarHBondContact O-N 2.91Å
87	Y	83.6	Confident	85.1	Confident	61 Å²	61	60.2 Å²	60.2	24%	0.239	33%	0.325	C	S	.	.			trans	-78.2	106.5	172.3	-61.8	-83.8	0	0	0	109.4	M41 D54 V56 L82 K83 A85	M41-Y87 HydrophobicContact CG-CD1 4.24Å; D54-Y87 HydrophobicContact CB-CE1 4.32Å; D54-Y87 VanDerWaalsContact OD2-CE1 3.31Å; D54-Y87 WeakPolarHBondContact OD2-CE1 3.44Å; V56-Y87 HydrophobicContact CG2-CD1 4.15Å; V56-Y87 HydrophobicContact CG2-CD2 4.42Å; V56-Y87 HydrophobicContact CG2-CE1 3.65Å; V56-Y87 HydrophobicContact CG2-CE2 3.97Å; L82-Y87 HydrophobicContact CB-CD2 4.4Å; L82-Y87 HydrophobicContact CD2-CD2 3.71Å; L82-Y87 HydrophobicContact CD2-CE2 4.19Å; L82-Y87 HydrophobicContact CD2-CG 4.16Å; L82-Y87 WeakPolarHBondContact O-CB 3.29Å; L82-Y87 PolarHBondContact O-N 3.32Å; K83-Y87 VanDerWaalsContact CA-O 3.29Å; K83-Y87 WeakPolarHBondContact CA-O 3.29Å; A85-Y87 HydrophobicContact CB-CD2 3.97Å; A85-Y87 HydrophobicContact CB-CE2 4.14Å
88	T	83.8	Confident	86.1	Confident	127 Å²	127	55.5 Å²	55.5	78%	0.779	30%	0.303	S	S	*	.			trans	-93.1	-7.6	179.9	53.5	0	0	0	0	113.7	G86	G86-T88 PolarHBondContact O-N 2.91Å
89	E	88.1	Confident	87	Confident	75 Å²	75	55.6 Å²	55.6	35%	0.35	31%	0.305	S	S	.	.	S	Bend	trans	-88.4	167.3	-174.3	-67.1	179.7	125.9	0	0	112.2	M41 T53	M41-E89 WeakPolarHBondContact CE-O 3.36Å; T53-E89 WeakPolarHBondContact CB-OE2 3.08Å; T53-E89 VanDerWaalsContact CG2-OE1 3.24Å; T53-E89 WeakPolarHBondContact CG2-OE1 3.27Å; T53-E89 PolarHBondContact OG1-OE1 3.03Å; T53-E89 PolarHBondContact OG1-OE2 2.93Å
90	E	89.3	Confident	87.7	Confident	129 Å²	129	56 Å²	56	60%	0.603	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	159.4	-178.6	-61.8	-175.1	150.6	0	0	111.1	M41 G42 V92	M41-E90 CarbonylContact C-O 3.58Å; M41-E90 WeakPolarHBondContact CA-O 3.36Å; G42-E90 PolarHBondContact N-O 3.34Å; G42-E90 PolarHBondContact O-N 3.42Å; G42-E90 VanDerWaalsContact O-N 3.11Å; E90-V92 PolarHBondContact O-N 3.17Å
91	I	90.6	Very high	88.2	Confident	49 Å²	49	56.6 Å²	56.6	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113	170.9	-61.2	165.1	0	0	0	107.6	L39 L40 M41 L82	L39-I91 HydrophobicContact CD1-CD1 3.78Å; L39-I91 HydrophobicContact CD1-CG1 4.23Å; L39-I91 HydrophobicContact CD2-CG2 4.2Å; L40-I91 WeakPolarHBondContact O-CA 3.32Å; M41-I91 HydrophobicContact CE-CG1 4.1Å; M41-I91 HydrophobicContact SD-CG1 3.86Å; L82-I91 HydrophobicContact CD1-CD1 4.35Å; L82-I91 HydrophobicContact CD1-CG1 4.44Å
92	V	94.2	Very high	88.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-7.2	-179.5	-63.7	0	0	0	0	113.2	L40 G42 F44 V50 V52 E90 A123 I124	L40-V92 HydrophobicContact CB-CG2 3.9Å; L40-V92 PolarHBondContact O-N 2.69Å; G42-V92 VanDerWaalsContact C-CG1 3.47Å; F44-V92 HydrophobicContact CD2-CG1 4.26Å; F44-V92 HydrophobicContact CE1-CB 4.33Å; F44-V92 HydrophobicContact CE1-CG1 4.38Å; F44-V92 HydrophobicContact CE2-CB 4.3Å; F44-V92 HydrophobicContact CE2-CG1 3.87Å; F44-V92 HydrophobicContact CZ-CB 3.91Å; F44-V92 HydrophobicContact CZ-CG1 3.94Å; V50-V92 HydrophobicContact CG1-CB 3.8Å; V50-V92 HydrophobicContact CG1-CG1 4.29Å; V50-V92 HydrophobicContact CG1-CG2 4.08Å; V52-V92 HydrophobicContact CG2-CG2 4.03Å; E90-V92 PolarHBondContact O-N 3.17Å; V92-A123 WeakPolarHBondContact O-CA 3.34Å; V92-I124 PolarHBondContact O-N 2.82Å; V92-I124 VanDerWaalsContact O-N 3.09Å
93	G	94.4	Very high	89.2	Confident	4 Å²	4	52.1 Å²	52.1	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.6	-162.1	-178.6	0	0	0	0	0	112.2	L40 I124	L40-G93 PolarHBondContact N-O 2.79Å; G93-I124 CarbonylContact C-O 3.59Å; G93-I124 WeakPolarHBondContact CA-O 3.27Å
94	W	94.9	Very high	89.5	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.008	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	162.1	-179.7	70.1	-64	0	0	0	110	M37 G38 L39 L40 H96 D109 T112 Q113 L116 I124 A125 V126	M37-W94 HydrophobicContact CE-CZ3 4.33Å; G38-W94 CarbonylContact O-C 3.51Å; G38-W94 VanDerWaalsContact O-CA 3.3Å; G38-W94 WeakPolarHBondContact O-CA 3.29Å; G38-W94 WeakPolarHBondContact O-CB 3.14Å; L39-W94 HydrophobicContact CD2-CB 4.43Å; L40-W94 WeakPolarHBondContact CD1-O 3.29Å; W94-H96 HydrophobicContact CE3-CB 4.35Å; W94-H96 AromaticContact CE3-ND1 3.84Å; W94-H96 AromaticContact CH2-CE1 3.59Å; W94-H96 AromaticContact CH2-ND1 3.16Å; W94-H96 WeakPolarHBondContact CH2-ND1 3.07Å; W94-H96 AromaticContact CZ2-ND1 3.89Å; W94-H96 HydrophobicContact CZ3-CB 3.84Å; W94-H96 AromaticContact CZ3-CG 3.71Å; W94-H96 AromaticContact CZ3-ND1 3.13Å; W94-H96 WeakPolarHBondContact CZ3-ND1 3.19Å; W94-D109 HydrophobicContact CH2-CB 4.09Å; W94-D109 HydrophobicContact CZ2-CB 4.39Å; W94-T112 HydrophobicContact CD2-CG2 4.22Å; W94-T112 HydrophobicContact CE3-CG2 4.27Å; W94-T112 HydrophobicContact CH2-CG2 3.71Å; W94-T112 HydrophobicContact CZ2-CG2 3.66Å; W94-T112 HydrophobicContact CZ3-CG2 4.02Å; W94-Q113 VanDerWaalsContact CD1-OE1 3.3Å; W94-Q113 HydrophobicContact CZ2-CB 4.37Å; W94-L116 HydrophobicContact CB-CD1 3.98Å; W94-L116 HydrophobicContact CD2-CD1 4.12Å; W94-L116 HydrophobicContact CG-CD1 3.5Å; W94-L116 VanDerWaalsContact CG-CD1 3.5Å; W94-I124 PolarHBondContact N-O 3.31Å; W94-A125 HydrophobicContact CZ2-CB 4.24Å; W94-V126 PolarHBondContact O-N 3.05Å
95	Y	96.2	Very high	89.7	Confident	3 Å²	3	39 Å²	39	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.5	171.2	73.9	-83.3	0	0	0	111.1	I24 H27 M37 G38 L40 A55 V126	I24-Y95 HydrophobicContact CB-CD2 4.4Å; I24-Y95 HydrophobicContact CB-CE2 4.33Å; I24-Y95 HydrophobicContact CD1-CD1 4.44Å; I24-Y95 HydrophobicContact CD1-CG 4.44Å; I24-Y95 HydrophobicContact CG1-CD1 4.06Å; I24-Y95 HydrophobicContact CG1-CD2 4.19Å; I24-Y95 HydrophobicContact CG1-CE1 4.06Å; I24-Y95 HydrophobicContact CG1-CE2 4.19Å; I24-Y95 HydrophobicContact CG1-CG 4.11Å; I24-Y95 HydrophobicContact CG2-CD2 3.61Å; I24-Y95 HydrophobicContact CG2-CE2 3.88Å; I24-Y95 HydrophobicContact CG2-CG 4.15Å; H27-Y95 AromaticContact ND1-CE2 3.78Å; H27-Y95 AromaticContact ND1-CZ 3.67Å; H27-Y95 PolarHBondContact ND1-OH 2.86Å; M37-Y95 CarbonylContact C-O 3.54Å; M37-Y95 WeakPolarHBondContact CA-O 3.31Å; M37-Y95 VanDerWaalsContact CB-O 3.29Å; M37-Y95 WeakPolarHBondContact CB-O 3.37Å; G38-Y95 PolarHBondContact N-O 3.11Å; G38-Y95 WeakPolarHBondContact O-CD1 3.32Å; G38-Y95 PolarHBondContact O-N 3.29Å; L40-Y95 HydrophobicContact CD2-CD1 3.66Å; L40-Y95 HydrophobicContact CD2-CG 4.29Å; L40-Y95 HydrophobicContact CG-CD1 4.28Å; A55-Y95 HydrophobicContact CB-CE1 4.03Å; Y95-V126 CarbonylContact C-O 3.42Å; Y95-V126 WeakPolarHBondContact CA-O 3.38Å; Y95-V126 WeakPolarHBondContact CB-O 3.49Å
96	H	94.5	Very high	90.1	Very high	3 Å²	3	36.4 Å²	36.4	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	165.1	165.3	64.3	-81.5	0	0	0	111	V36 M37 W94 H98 D109 V126 V127 V128	V36-H96 CarbonylContact O-C 3.56Å; V36-H96 WeakPolarHBondContact O-CA 2.98Å; V36-H96 WeakPolarHBondContact O-CB 3.37Å; M37-H96 HydrophobicContact CB-CB 3.97Å; W94-H96 HydrophobicContact CE3-CB 4.35Å; W94-H96 AromaticContact CE3-ND1 3.84Å; W94-H96 AromaticContact CH2-CE1 3.59Å; W94-H96 AromaticContact CH2-ND1 3.16Å; W94-H96 WeakPolarHBondContact CH2-ND1 3.07Å; W94-H96 AromaticContact CZ2-ND1 3.89Å; W94-H96 HydrophobicContact CZ3-CB 3.84Å; W94-H96 AromaticContact CZ3-CG 3.71Å; W94-H96 AromaticContact CZ3-ND1 3.13Å; W94-H96 WeakPolarHBondContact CZ3-ND1 3.19Å; H96-H98 AromaticContact CD2-CD2 3.67Å; H96-H98 AromaticContact CD2-CE1 3.94Å; H96-H98 AromaticContact CD2-NE2 3.42Å; H96-H98 PolarHBondContact CD2-NE2 3.21Å; H96-H98 AromaticContact NE2-CD2 3.94Å; H96-H98 AromaticContact NE2-CE1 3.4Å; H96-H98 PolarHBondContact NE2-CE1 3.06Å; H96-H98 AromaticContact NE2-NE2 3.33Å; H96-H98 PolarHBondContact NE2-NE2 2.8Å; H96-D109 IonicContact CD2-OD1 3.81Å; H96-D109 IonicContact CE1-OD1 2.76Å; H96-D109 IonicContact NE2-OD1 3.42Å; H96-D109 IonicContact NE2-OD2 3.32Å; H96-V126 PolarHBondContact N-O 2.96Å; H96-V127 WeakPolarHBondContact O-CA 3.41Å; H96-V128 PolarHBondContact O-N 2.98Å
97	S	93.4	Very high	90.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	140.5	179.2	67	0	0	0	0	112.5	E35 V36 P99 V128	E35-S97 WeakPolarHBondContact CA-OG 3.42Å; E35-S97 WeakPolarHBondContact CB-O 3.19Å; E35-S97 VanDerWaalsContact CG-O 3.27Å; E35-S97 WeakPolarHBondContact CG-O 3.33Å; V36-S97 PolarHBondContact N-OG 3.31Å; V36-S97 PolarHBondContact O-N 3.31Å; S97-P99 WeakPolarHBondContact O-CD 3.35Å; S97-V128 CarbonylContact C-O 3.44Å; S97-V128 WeakPolarHBondContact CA-O 3.1Å; S97-V128 WeakPolarHBondContact CB-O 3.14Å
98	H	91.7	Very high	90.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	23%	0.231	C	C	.	.			trans	-118.9	80.8	168.4	-79.6	171.9	0	0	0	109.9	E35 H96 G100 L101 G102 W104 D109 V127 V128 D129	E35-H98 IonicContact OE1-CD2 2.82Å; E35-H98 PolarHBondContact OE1-CD2 3.35Å; E35-H98 IonicContact OE1-NE2 3.72Å; H96-H98 AromaticContact CD2-CD2 3.67Å; H96-H98 AromaticContact CD2-CE1 3.94Å; H96-H98 AromaticContact CD2-NE2 3.42Å; H96-H98 PolarHBondContact CD2-NE2 3.21Å; H96-H98 AromaticContact NE2-CD2 3.94Å; H96-H98 AromaticContact NE2-CE1 3.4Å; H96-H98 PolarHBondContact NE2-CE1 3.06Å; H96-H98 AromaticContact NE2-NE2 3.33Å; H96-H98 PolarHBondContact NE2-NE2 2.8Å; H98-G100 PolarHBondContact O-N 2.71Å; H98-G100 VanDerWaalsContact O-N 3.11Å; H98-L101 HydrophobicContact CB-CB 4.26Å; H98-L101 PolarHBondContact O-N 3.26Å; H98-G102 VanDerWaalsContact CB-O 3.29Å; H98-G102 WeakPolarHBondContact CB-O 2.94Å; H98-W104 PolarHBondContact CE1-O 3.42Å; H98-W104 AromaticContact ND1-CE2 3.98Å; H98-W104 AromaticContact ND1-NE1 3.94Å; H98-W104 PolarHBondContact ND1-O 2.87Å; H98-D109 IonicContact CE1-OD2 3.99Å; H98-D109 PolarHBondContact CE1-OD2 3.19Å; H98-D109 IonicContact NE2-OD2 3.03Å; H98-V127 HydrophobicContact CB-CG1 4Å; H98-V128 PolarHBondContact N-O 2.75Å; H98-D129 WeakPolarHBondContact O-CB 3.29Å; H98-D129 VanDerWaalsContact O-CG 3.23Å
99	P	91	Very high	90.8	Very high	26 Å²	26	34.1 Å²	34.1	17%	0.169	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	112.6	-168.8	-12.6	27.3	0	0	0	112.5	S97 L101 P130 F131	S97-P99 WeakPolarHBondContact O-CD 3.35Å; P99-L101 VanDerWaalsContact C-N 3.34Å; P99-P130 HydrophobicContact CB-CG 4.37Å; P99-F131 HydrophobicContact CB-CD2 3.71Å; P99-F131 HydrophobicContact CB-CE2 3.62Å
100	G	88.1	Confident	90.9	Very high	55 Å²	55	32.3 Å²	32.3	57%	0.567	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	10.2	179.4	0	0	0	0	0	115.6	H98 D129	H98-G100 PolarHBondContact O-N 2.71Å; H98-G100 VanDerWaalsContact O-N 3.11Å; G100-D129 VanDerWaalsContact CA-OD2 3.25Å; G100-D129 WeakPolarHBondContact CA-OD2 3.45Å; G100-D129 VanDerWaalsContact N-CG 3.26Å; G100-D129 PolarHBondContact N-OD1 3.45Å; G100-D129 PolarHBondContact N-OD2 2.87Å
101	L	87.5	Confident	90.9	Very high	93 Å²	93	29.6 Å²	29.6	49%	0.487	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-7.6	-178.7	-58.5	176.7	0	0	0	113.2	H98 P99 W104 D129	H98-L101 HydrophobicContact CB-CB 4.26Å; H98-L101 PolarHBondContact O-N 3.26Å; P99-L101 VanDerWaalsContact C-N 3.34Å; L101-W104 PolarHBondContact O-NE1 2.76Å; L101-D129 PolarHBondContact N-OD2 3.32Å; L101-D129 VanDerWaalsContact N-OD2 3.14Å
102	G	88.4	Confident	90.8	Very high	9 Å²	9	27.6 Å²	27.6	9%	0.093	17%	0.168	C	C	.	.			trans	73.7	178.8	-170.4	0	0	0	0	0	114.5	H98 D129 Q132	H98-G102 VanDerWaalsContact CB-O 3.29Å; H98-G102 WeakPolarHBondContact CB-O 2.94Å; G102-D129 PolarHBondContact N-OD2 2.62Å; G102-Q132 VanDerWaalsContact CA-OE1 3.22Å
103	C	91.3	Very high	90.7	Very high	10 Å²	10	27.6 Å²	27.6	7%	0.068	17%	0.168	C	C	.	.	S	Bend	trans	-95.3	115.6	-173	-59.4	0	0	0	0	111.4	V127 M137 E139 F141	C103-V127 HydrophobicContact CB-CB 3.93Å; C103-V127 HydrophobicContact CB-CG1 4.09Å; C103-V127 PolarHBondContact SG-O 2.8Å; C103-M137 HydrophobicContact CB-CE 3.66Å; C103-M137 WeakPolarHBondContact SG-CE 3.42Å; C103-E139 HydrophobicContact CB-CB 3.75Å; C103-E139 HydrophobicContact CB-CG 3.78Å; C103-E139 WeakPolarHBondContact CB-OE2 3.48Å; C103-F141 HydrophobicContact CB-CE2 4.14Å; C103-F141 HydrophobicContact CB-CZ 4.15Å
104	W	89.5	Confident	90.4	Very high	43 Å²	43	32.2 Å²	32.2	16%	0.163	19%	0.19	C	C	.	.			trans	-164.6	165.4	177.4	54.5	-80.3	0	0	0	108.8	H98 L101	H98-W104 PolarHBondContact CE1-O 3.42Å; H98-W104 AromaticContact ND1-CE2 3.98Å; H98-W104 AromaticContact ND1-NE1 3.94Å; H98-W104 PolarHBondContact ND1-O 2.87Å; L101-W104 PolarHBondContact O-NE1 2.76Å
105	L	88.8	Confident	90	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.			trans	-105.1	126.2	176.9	-59.7	178.5	0	0	0	111.5	D109 M110 A125 V127 F141 L143 Q177 Y181	L105-D109 HydrophobicContact CB-CB 4.06Å; L105-D109 HydrophobicContact CD2-CB 3.86Å; L105-M110 HydrophobicContact CB-CG 3.85Å; L105-M110 HydrophobicContact CD1-CG 4.42Å; L105-A125 HydrophobicContact CD1-CB 4.47Å; L105-A125 HydrophobicContact CD2-CB 4.11Å; L105-V127 HydrophobicContact CD2-CG2 3.75Å; L105-F141 HydrophobicContact CD1-CB 3.91Å; L105-F141 HydrophobicContact CD1-CG 4.46Å; L105-F141 HydrophobicContact CD2-CD2 4.4Å; L105-F141 HydrophobicContact CG-CB 4.35Å; L105-F141 HydrophobicContact CG-CD2 4.38Å; L105-F141 HydrophobicContact CG-CG 4.4Å; L105-L143 HydrophobicContact CD1-CD2 4.16Å; L105-Q177 PolarHBondContact O-NE2 3.09Å; L105-Q177 PolarHBondContact O-OE1 3.37Å; L105-Y181 HydrophobicContact CB-CD1 4.14Å; L105-Y181 HydrophobicContact CB-CE1 3.86Å; L105-Y181 HydrophobicContact CB-CE2 4.49Å; L105-Y181 HydrophobicContact CD1-CD1 4.15Å; L105-Y181 HydrophobicContact CD1-CD2 4.3Å; L105-Y181 HydrophobicContact CD1-CG 3.98Å; L105-Y181 PolarHBondContact N-OH 3.39Å
106	S	89	Confident	89.5	Confident	19 Å²	19	35 Å²	35	13%	0.133	21%	0.206	C	C	.	.			trans	-74.3	175.4	169.1	74.2	0	0	0	0	112.5	E108 D109 M110	S106-E108 VanDerWaalsContact C-N 3.27Å; S106-E108 PolarHBondContact O-N 3.01Å; S106-D109 WeakPolarHBondContact CA-OD2 3.4Å; S106-D109 WeakPolarHBondContact CB-OD2 3.2Å; S106-D109 PolarHBondContact N-OD2 2.92Å; S106-D109 PolarHBondContact O-N 3.04Å; S106-D109 PolarHBondContact OG-N 2.97Å; S106-D109 VanDerWaalsContact OG-N 3.16Å; S106-D109 PolarHBondContact OG-OD2 2.96Å; S106-M110 WeakPolarHBondContact O-CB 3.35Å; S106-M110 WeakPolarHBondContact O-CE 3.49Å; S106-M110 VanDerWaalsContact O-CG 3.26Å; S106-M110 WeakPolarHBondContact O-CG 3.43Å; S106-M110 PolarHBondContact O-N 2.76Å
107	G	88	Confident	89.3	Confident	44 Å²	44	36.9 Å²	36.9	45%	0.454	21%	0.214	S	C	.	.	H	α-helix	trans	-60.4	-42.2	176.1	0	0	0	0	0	111.6	M110 N111	G107-M110 PolarHBondContact O-N 2.9Å; G107-N111 PolarHBondContact O-N 3.5Å
108	E	87.9	Confident	88.9	Confident	139 Å²	139	43 Å²	43	65%	0.65	25%	0.246	S	C	*	.	H	α-helix	trans	-65.7	-41.4	176.7	-67	80	177.5	0	0	111.9	S106 N111 T112	S106-E108 VanDerWaalsContact C-N 3.27Å; S106-E108 PolarHBondContact O-N 3.01Å; E108-N111 PolarHBondContact O-N 3.21Å; E108-T112 WeakPolarHBondContact O-CB 3.43Å; E108-T112 PolarHBondContact O-N 2.84Å; E108-T112 PolarHBondContact O-OG1 2.88Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å
109	D	90.3	Very high	88.4	Confident	12 Å²	12	49 Å²	49	6%	0.064	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-40.6	176.9	-54.5	-41.9	0	0	0	111.5	W94 H96 H98 L105 S106 N111 T112 Q113	W94-D109 HydrophobicContact CH2-CB 4.09Å; W94-D109 HydrophobicContact CZ2-CB 4.39Å; H96-D109 IonicContact CD2-OD1 3.81Å; H96-D109 IonicContact CE1-OD1 2.76Å; H96-D109 IonicContact NE2-OD1 3.42Å; H96-D109 IonicContact NE2-OD2 3.32Å; H98-D109 IonicContact CE1-OD2 3.99Å; H98-D109 PolarHBondContact CE1-OD2 3.19Å; H98-D109 IonicContact NE2-OD2 3.03Å; L105-D109 HydrophobicContact CB-CB 4.06Å; L105-D109 HydrophobicContact CD2-CB 3.86Å; S106-D109 WeakPolarHBondContact CA-OD2 3.4Å; S106-D109 WeakPolarHBondContact CB-OD2 3.2Å; S106-D109 PolarHBondContact N-OD2 2.92Å; S106-D109 PolarHBondContact O-N 3.04Å; S106-D109 PolarHBondContact OG-N 2.97Å; S106-D109 VanDerWaalsContact OG-N 3.16Å; S106-D109 PolarHBondContact OG-OD2 2.96Å; D109-N111 VanDerWaalsContact C-N 3.34Å; D109-T112 PolarHBondContact O-N 2.91Å; D109-Q113 VanDerWaalsContact O-CB 3.32Å; D109-Q113 WeakPolarHBondContact O-CB 3.38Å; D109-Q113 PolarHBondContact O-N 3.35Å
110	M	89.8	Confident	88.2	Confident	37 Å²	37	49.3 Å²	49.3	18%	0.182	28%	0.275	C	S	.	.	H	α-helix	trans	-63.7	-40.2	175.3	-71	-175.6	-62.3	0	0	111.3	L105 S106 G107 Q113 M114 L143 C180 Y181	L105-M110 HydrophobicContact CB-CG 3.85Å; L105-M110 HydrophobicContact CD1-CG 4.42Å; S106-M110 WeakPolarHBondContact O-CB 3.35Å; S106-M110 WeakPolarHBondContact O-CE 3.49Å; S106-M110 VanDerWaalsContact O-CG 3.26Å; S106-M110 WeakPolarHBondContact O-CG 3.43Å; S106-M110 PolarHBondContact O-N 2.76Å; G107-M110 PolarHBondContact O-N 2.9Å; M110-Q113 PolarHBondContact O-N 2.82Å; M110-M114 VanDerWaalsContact O-CB 3.31Å; M110-M114 WeakPolarHBondContact O-CB 3.45Å; M110-M114 PolarHBondContact O-N 2.78Å; M110-L143 HydrophobicContact CB-CD2 4.15Å; M110-L143 HydrophobicContact CG-CD2 3.9Å; M110-L143 WeakPolarHBondContact O-CD1 3.36Å; M110-C180 HydrophobicContact SD-CB 3.59Å; M110-C180 VanDerWaalsContact SD-CB 3.59Å; M110-Y181 HydrophobicContact CG-CD1 4.19Å; M110-Y181 HydrophobicContact CG-CE1 4.46Å; M110-Y181 HydrophobicContact SD-CD1 3.75Å; M110-Y181 HydrophobicContact SD-CE1 3.9Å
111	N	89.1	Confident	88.2	Confident	71 Å²	71	54.7 Å²	54.7	38%	0.38	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-42.5	176.7	-161.1	54.8	0	0	0	111.5	E68 G107 E108 D109 M114 N115	E68-N111 PolarHBondContact OE1-ND2 2.76Å; G107-N111 PolarHBondContact O-N 3.5Å; E108-N111 PolarHBondContact O-N 3.21Å; D109-N111 VanDerWaalsContact C-N 3.34Å; N111-M114 PolarHBondContact O-N 2.94Å; N111-N115 PolarHBondContact O-N 2.9Å; N111-N115 PolarHBondContact O-ND2 3.43Å
112	T	89.1	Confident	88.3	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-48.8	174.3	-67.9	0	0	0	0	111.6	V67 W94 E108 D109 M114 N115 L116	V67-T112 HydrophobicContact CB-CG2 3.65Å; V67-T112 HydrophobicContact CG1-CG2 4.43Å; V67-T112 HydrophobicContact CG2-CG2 3.53Å; W94-T112 HydrophobicContact CD2-CG2 4.22Å; W94-T112 HydrophobicContact CE3-CG2 4.27Å; W94-T112 HydrophobicContact CH2-CG2 3.71Å; W94-T112 HydrophobicContact CZ2-CG2 3.66Å; W94-T112 HydrophobicContact CZ3-CG2 4.02Å; E108-T112 WeakPolarHBondContact O-CB 3.43Å; E108-T112 PolarHBondContact O-N 2.84Å; E108-T112 PolarHBondContact O-OG1 2.88Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å; D109-T112 PolarHBondContact O-N 2.91Å; T112-M114 PolarHBondContact O-N 3.33Å; T112-N115 PolarHBondContact O-N 3.14Å; T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 PolarHBondContact O-N 3.06Å
113	Q	90.9	Very high	88.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.4	-41.3	178.3	176.2	62.4	10.6	0	0	111.7	W94 D109 M110 N115 L116 E117 A123 A125 L143	W94-Q113 VanDerWaalsContact CD1-OE1 3.3Å; W94-Q113 HydrophobicContact CZ2-CB 4.37Å; D109-Q113 VanDerWaalsContact O-CB 3.32Å; D109-Q113 WeakPolarHBondContact O-CB 3.38Å; D109-Q113 PolarHBondContact O-N 3.35Å; M110-Q113 PolarHBondContact O-N 2.82Å; Q113-N115 VanDerWaalsContact C-N 3.3Å; Q113-N115 PolarHBondContact O-N 3.31Å; Q113-L116 PolarHBondContact O-N 3.11Å; Q113-E117 HydrophobicContact CG-CG 4.37Å; Q113-E117 PolarHBondContact NE2-OE1 2.92Å; Q113-E117 WeakPolarHBondContact O-CB 3.43Å; Q113-E117 WeakPolarHBondContact O-CG 3.3Å; Q113-E117 PolarHBondContact O-N 2.87Å; Q113-A123 PolarHBondContact NE2-O 2.7Å; Q113-A125 HydrophobicContact CG-CB 4.27Å; Q113-L143 HydrophobicContact CB-CD1 4.08Å; Q113-L143 HydrophobicContact CB-CG 4.2Å; Q113-L143 HydrophobicContact CG-CD1 3.83Å; Q113-L143 HydrophobicContact CG-CD2 4.2Å; Q113-L143 HydrophobicContact CG-CG 3.58Å
114	M	88.7	Confident	88.7	Confident	102 Å²	102	51.7 Å²	51.7	50%	0.502	26%	0.264	S	S	.	.	H	α-helix	trans	-58.9	-43.8	176.7	178.3	177.3	146.5	0	0	110.9	M110 N111 T112 E117 L118 L143	M110-M114 VanDerWaalsContact O-CB 3.31Å; M110-M114 WeakPolarHBondContact O-CB 3.45Å; M110-M114 PolarHBondContact O-N 2.78Å; N111-M114 PolarHBondContact O-N 2.94Å; T112-M114 PolarHBondContact O-N 3.33Å; M114-E117 PolarHBondContact O-N 2.93Å; M114-L118 WeakPolarHBondContact O-CG 3.09Å; M114-L118 PolarHBondContact O-N 3.45Å; M114-L143 HydrophobicContact CB-CD1 3.74Å
115	N	86.5	Confident	89	Confident	47 Å²	47	49.6 Å²	49.6	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-64	-41.2	176.9	-70.2	-34.7	0	0	0	112	N111 T112 Q113 L118 F119	N111-N115 PolarHBondContact O-N 2.9Å; N111-N115 PolarHBondContact O-ND2 3.43Å; T112-N115 PolarHBondContact O-N 3.14Å; Q113-N115 VanDerWaalsContact C-N 3.3Å; Q113-N115 PolarHBondContact O-N 3.31Å; N115-L118 WeakPolarHBondContact O-CB 3.33Å; N115-L118 PolarHBondContact O-N 2.96Å; N115-F119 WeakPolarHBondContact O-CD2 3.23Å; N115-F119 WeakPolarHBondContact O-CE2 3.25Å
116	L	86.9	Confident	89.3	Confident	17 Å²	17	49.7 Å²	49.7	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-38	176.1	-75.3	169.6	0	0	0	112.5	V67 M70 W94 T112 Q113 L118 F119 C120 A123	V67-L116 HydrophobicContact CG1-CD1 4.28Å; V67-L116 HydrophobicContact CG1-CD2 4.05Å; V67-L116 HydrophobicContact CG1-CG 4.2Å; M70-L116 HydrophobicContact SD-CD2 4.14Å; W94-L116 HydrophobicContact CB-CD1 3.98Å; W94-L116 HydrophobicContact CD2-CD1 4.12Å; W94-L116 HydrophobicContact CG-CD1 3.5Å; W94-L116 VanDerWaalsContact CG-CD1 3.5Å; T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 PolarHBondContact O-N 3.06Å; Q113-L116 PolarHBondContact O-N 3.11Å; L116-L118 PolarHBondContact O-N 2.67Å; L116-F119 PolarHBondContact O-N 3.31Å; L116-F119 VanDerWaalsContact O-N 3.08Å; L116-C120 PolarHBondContact O-N 2.98Å; L116-A123 HydrophobicContact CB-CB 4.3Å
117	E	89.1	Confident	89.6	Confident	41 Å²	41	48.8 Å²	48.8	19%	0.192	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-23.1	176.8	-76.3	-177.4	-175.7	0	0	113.1	Q113 M114 F119 C120 E121 A123 R142 L143	Q113-E117 HydrophobicContact CG-CG 4.37Å; Q113-E117 PolarHBondContact NE2-OE1 2.92Å; Q113-E117 WeakPolarHBondContact O-CB 3.43Å; Q113-E117 WeakPolarHBondContact O-CG 3.3Å; Q113-E117 PolarHBondContact O-N 2.87Å; M114-E117 PolarHBondContact O-N 2.93Å; E117-F119 VanDerWaalsContact C-N 3.29Å; E117-F119 PolarHBondContact O-N 3.16Å; E117-C120 WeakPolarHBondContact CA-O 3.49Å; E117-C120 CarbonylContact O-C 3.44Å; E117-E121 WeakPolarHBondContact O-CA 3.11Å; E117-E121 PolarHBondContact O-N 2.87Å; E117-A123 HydrophobicContact CG-CB 4.42Å; E117-R142 VanDerWaalsContact OE1-CG 3.25Å; E117-R142 WeakPolarHBondContact OE1-CG 3.25Å; E117-L143 PolarHBondContact OE1-N 3.38Å
118	L	85.5	Confident	89.9	Confident	128 Å²	128	46.7 Å²	46.7	67%	0.67	23%	0.229	S	C	*	.	H	α-helix	trans	-66.6	-30.7	172	-66.6	173.9	0	0	0	112.8	M114 N115 L116	M114-L118 WeakPolarHBondContact O-CG 3.09Å; M114-L118 PolarHBondContact O-N 3.45Å; N115-L118 WeakPolarHBondContact O-CB 3.33Å; N115-L118 PolarHBondContact O-N 2.96Å; L116-L118 PolarHBondContact O-N 2.67Å
119	F	81.2	Confident	90.2	Very high	128 Å²	128	40.2 Å²	40.2	56%	0.561	20%	0.198	S	C	*	.	H	α-helix	trans	-94.4	-40.2	-179.5	-60.5	-76	0	0	0	112	N115 L116 E117	N115-F119 WeakPolarHBondContact O-CD2 3.23Å; N115-F119 WeakPolarHBondContact O-CE2 3.25Å; L116-F119 PolarHBondContact O-N 3.31Å; L116-F119 VanDerWaalsContact O-N 3.08Å; E117-F119 VanDerWaalsContact C-N 3.29Å; E117-F119 PolarHBondContact O-N 3.16Å
120	C	86.4	Confident	90.2	Very high	34 Å²	34	40.3 Å²	40.3	23%	0.23	20%	0.2	C	C	.	.			trans	-128.1	96.9	176.3	-178.8	0	0	0	0	108.1	F44 L116 E117 R122 A123	F44-C120 WeakPolarHBondContact CZ-SG 3.46Å; L116-C120 PolarHBondContact O-N 2.98Å; E117-C120 WeakPolarHBondContact CA-O 3.49Å; E117-C120 CarbonylContact O-C 3.44Å; C120-R122 PolarHBondContact O-N 3.26Å; C120-A123 HydrophobicContact CB-CB 4.1Å; C120-A123 VanDerWaalsContact O-CB 3.23Å; C120-A123 WeakPolarHBondContact O-CB 3.47Å; C120-A123 PolarHBondContact O-N 3.31Å
121	E	87.7	Confident	90.1	Very high	168 Å²	168	43.5 Å²	43.5	79%	0.785	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-29	-178.8	-173.7	-174.6	174.9	0	0	112.7	E117 R142	E117-E121 WeakPolarHBondContact O-CA 3.11Å; E117-E121 PolarHBondContact O-N 2.87Å; E121-R142 PolarHBondContact O-NH1 2.73Å
122	R	91.3	Very high	89.7	Confident	45 Å²	45	42.5 Å²	42.5	17%	0.17	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	13.1	-178.3	-68.5	-176.5	61.9	-149.9	-0.3	114.9	F44 D46 K47 T49 C120 I124 R142	F44-R122 HydrophobicContact CD1-CB 4.03Å; F44-R122 HydrophobicContact CE1-CB 3.49Å; F44-R122 VanDerWaalsContact CE1-CB 3.49Å; F44-R122 HydrophobicContact CZ-CB 4.01Å; D46-R122 PolarHBondContact O-NH1 3.38Å; D46-R122 PolarHBondContact O-NH2 3.18Å; K47-R122 PolarHBondContact O-NH2 2.91Å; T49-R122 PolarHBondContact O-NH2 3.06Å; T49-R122 VanDerWaalsContact O-NH2 3.14Å; C120-R122 PolarHBondContact O-N 3.26Å; R122-I124 PolarHBondContact O-N 3.28Å; R122-R142 PolarHBondContact O-NH1 3.33Å; R122-R142 PolarHBondContact O-NH2 2.99Å
123	A	92.7	Very high	89	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-54.2	134.1	175.3	0	0	0	0	0	111.4	V92 Q113 L116 E117 C120 R142	V92-A123 WeakPolarHBondContact O-CA 3.34Å; Q113-A123 PolarHBondContact NE2-O 2.7Å; L116-A123 HydrophobicContact CB-CB 4.3Å; E117-A123 HydrophobicContact CG-CB 4.42Å; C120-A123 HydrophobicContact CB-CB 4.1Å; C120-A123 VanDerWaalsContact O-CB 3.23Å; C120-A123 WeakPolarHBondContact O-CB 3.47Å; C120-A123 PolarHBondContact O-N 3.31Å; A123-R142 PolarHBondContact O-NH1 3.5Å
124	I	94.6	Very high	88.2	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.9	174.6	62.4	173.7	0	0	0	110.8	V14 L40 V50 V52 V92 G93 W94 R122 V126 L184	V14-I124 HydrophobicContact CB-CD1 4.49Å; V14-I124 HydrophobicContact CG1-CD1 3.73Å; V14-I124 HydrophobicContact CG2-CD1 3.87Å; V14-I124 HydrophobicContact CG2-CG2 4.32Å; L40-I124 HydrophobicContact CD1-CD1 3.96Å; L40-I124 HydrophobicContact CD1-CG1 3.9Å; V50-I124 HydrophobicContact CG1-CD1 4.16Å; V50-I124 HydrophobicContact CG2-CG2 4.29Å; V52-I124 HydrophobicContact CG2-CD1 3.83Å; V92-I124 PolarHBondContact O-N 2.82Å; V92-I124 VanDerWaalsContact O-N 3.09Å; G93-I124 CarbonylContact C-O 3.59Å; G93-I124 WeakPolarHBondContact CA-O 3.27Å; W94-I124 PolarHBondContact N-O 3.31Å; R122-I124 PolarHBondContact O-N 3.28Å; I124-V126 HydrophobicContact CD1-CG2 4.06Å; I124-V126 HydrophobicContact CG1-CG2 4.4Å; I124-L184 HydrophobicContact CB-CD1 4.36Å; I124-L184 HydrophobicContact CG2-CD1 3.58Å
125	A	95.3	Very high	87.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.2	169.3	0	0	0	0	0	109.3	W94 L105 Q113 A140 F141	W94-A125 HydrophobicContact CZ2-CB 4.24Å; L105-A125 HydrophobicContact CD1-CB 4.47Å; L105-A125 HydrophobicContact CD2-CB 4.11Å; Q113-A125 HydrophobicContact CG-CB 4.27Å; A125-A140 CarbonylContact O-C 3.46Å; A125-A140 WeakPolarHBondContact O-CA 3.33Å; A125-F141 PolarHBondContact N-O 2.83Å; A125-F141 PolarHBondContact O-N 3.15Å
126	V	96.1	Very high	87.5	Confident	1 Å²	1	50 Å²	50	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.2	176.7	174.5	0	0	0	0	110	M16 L40 W94 Y95 H96 I124 V128 I138 E139 A140	M16-V126 HydrophobicContact CE-CG2 4.49Å; L40-V126 HydrophobicContact CD1-CB 4.03Å; L40-V126 HydrophobicContact CD1-CG2 3.5Å; L40-V126 VanDerWaalsContact CD1-CG2 3.5Å; W94-V126 PolarHBondContact O-N 3.05Å; Y95-V126 CarbonylContact C-O 3.42Å; Y95-V126 WeakPolarHBondContact CA-O 3.38Å; Y95-V126 WeakPolarHBondContact CB-O 3.49Å; H96-V126 PolarHBondContact N-O 2.96Å; I124-V126 HydrophobicContact CD1-CG2 4.06Å; I124-V126 HydrophobicContact CG1-CG2 4.4Å; V126-V128 HydrophobicContact CG1-CG2 4Å; V126-I138 HydrophobicContact CG1-CG2 3.47Å; V126-I138 VanDerWaalsContact CG1-CG2 3.47Å; V126-E139 CarbonylContact C-O 3.5Å; V126-E139 WeakPolarHBondContact CA-O 2.98Å; V126-A140 HydrophobicContact CG2-CB 4.03Å
127	V	95	Very high	87.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.3	175	-169.8	0	0	0	0	109	H96 H98 C103 L105 I138 E139 F141	H96-V127 WeakPolarHBondContact O-CA 3.41Å; H98-V127 HydrophobicContact CB-CG1 4Å; C103-V127 HydrophobicContact CB-CB 3.93Å; C103-V127 HydrophobicContact CB-CG1 4.09Å; C103-V127 PolarHBondContact SG-O 2.8Å; L105-V127 HydrophobicContact CD2-CG2 3.75Å; V127-I138 WeakPolarHBondContact O-CA 3.22Å; V127-E139 PolarHBondContact N-O 3.19Å; V127-E139 PolarHBondContact O-N 3.4Å; V127-F141 HydrophobicContact CB-CD2 4.49Å; V127-F141 HydrophobicContact CB-CE2 3.97Å; V127-F141 HydrophobicContact CG2-CD2 3.73Å; V127-F141 HydrophobicContact CG2-CE2 3.58Å
128	V	94.5	Very high	87.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126	-179.8	177.4	0	0	0	0	111.3	I24 L25 A28 H96 S97 H98 V126 M137 I138	I24-V128 HydrophobicContact CG2-CB 4.07Å; I24-V128 HydrophobicContact CG2-CG1 4.24Å; I24-V128 HydrophobicContact CG2-CG2 3.26Å; L25-V128 HydrophobicContact CD2-CG1 3.8Å; A28-V128 HydrophobicContact CB-CG1 4Å; H96-V128 PolarHBondContact O-N 2.98Å; S97-V128 CarbonylContact C-O 3.44Å; S97-V128 WeakPolarHBondContact CA-O 3.1Å; S97-V128 WeakPolarHBondContact CB-O 3.14Å; H98-V128 PolarHBondContact N-O 2.75Å; V126-V128 HydrophobicContact CG1-CG2 4Å; V128-M137 WeakPolarHBondContact CA-O 3.28Å; V128-I138 HydrophobicContact CB-CG1 4.27Å; V128-I138 HydrophobicContact CG1-CD1 4.38Å; V128-I138 HydrophobicContact CG1-CG1 4.02Å; V128-I138 HydrophobicContact CG2-CB 4.3Å; V128-I138 HydrophobicContact CG2-CD1 3.77Å; V128-I138 HydrophobicContact CG2-CG1 3.61Å; V128-I138 HydrophobicContact CG2-CG2 4.1Å
129	D	93.2	Very high	88.1	Confident	3 Å²	3	45 Å²	45	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	104.6	165.6	-172.8	-25.1	0	0	0	108.6	H98 G100 L101 G102 F131 Q132 G136 M137	H98-D129 WeakPolarHBondContact O-CB 3.29Å; H98-D129 VanDerWaalsContact O-CG 3.23Å; G100-D129 VanDerWaalsContact CA-OD2 3.25Å; G100-D129 WeakPolarHBondContact CA-OD2 3.45Å; G100-D129 VanDerWaalsContact N-CG 3.26Å; G100-D129 PolarHBondContact N-OD1 3.45Å; G100-D129 PolarHBondContact N-OD2 2.87Å; L101-D129 PolarHBondContact N-OD2 3.32Å; L101-D129 VanDerWaalsContact N-OD2 3.14Å; G102-D129 PolarHBondContact N-OD2 2.62Å; D129-F131 PolarHBondContact O-N 2.84Å; D129-F131 PolarHBondContact OD1-N 2.89Å; D129-Q132 HydrophobicContact CB-CB 3.97Å; D129-Q132 PolarHBondContact OD1-N 3.32Å; D129-Q132 VanDerWaalsContact OD1-N 3.11Å; D129-G136 CarbonylContact O-C 3.59Å; D129-G136 WeakPolarHBondContact O-CA 3.47Å; D129-M137 PolarHBondContact N-O 3.22Å; D129-M137 PolarHBondContact O-N 3.03Å
130	P	90.9	Very high	88.7	Confident	14 Å²	14	38.9 Å²	38.9	9%	0.091	22%	0.223	C	C	.	.	S	Bend	trans	-71	-9.9	-178	30	-36.3	0	0	0	113.9	A28 K29 P99	A28-P130 HydrophobicContact CB-CB 4.08Å; A28-P130 HydrophobicContact CB-CG 3.95Å; K29-P130 HydrophobicContact CB-CB 4.26Å; P99-P130 HydrophobicContact CB-CG 4.37Å
131	F	87.8	Confident	88.9	Confident	105 Å²	105	37.3 Å²	37.3	46%	0.461	21%	0.212	S	C	.	.	S	Bend	trans	-109.2	-20.7	-174.4	-59.9	-60.6	0	0	0	113.6	A32 P99 D129 N133	A32-F131 HydrophobicContact CB-CE2 3.49Å; A32-F131 VanDerWaalsContact CB-CE2 3.49Å; A32-F131 HydrophobicContact CB-CZ 3.44Å; A32-F131 VanDerWaalsContact CB-CZ 3.44Å; P99-F131 HydrophobicContact CB-CD2 3.71Å; P99-F131 HydrophobicContact CB-CE2 3.62Å; D129-F131 PolarHBondContact O-N 2.84Å; D129-F131 PolarHBondContact OD1-N 2.89Å; F131-N133 PolarHBondContact O-N 2.91Å
132	Q	80.4	Confident	89.1	Confident	49 Å²	49	30 Å²	30	23%	0.229	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	135.5	178.3	-166.4	166.2	11.3	0	0	111.6	G102 D129 G134 G136 M137	G102-Q132 VanDerWaalsContact CA-OE1 3.22Å; D129-Q132 HydrophobicContact CB-CB 3.97Å; D129-Q132 PolarHBondContact OD1-N 3.32Å; D129-Q132 VanDerWaalsContact OD1-N 3.11Å; Q132-G134 PolarHBondContact O-N 3.14Å; Q132-G136 CarbonylContact O-C 3.43Å; Q132-G136 VanDerWaalsContact O-CA 3.27Å; Q132-G136 WeakPolarHBondContact O-CA 3.34Å; Q132-G136 PolarHBondContact O-N 3.46Å; Q132-M137 HydrophobicContact CB-CB 4.08Å; Q132-M137 VanDerWaalsContact CD-SD 3.6Å; Q132-M137 HydrophobicContact CG-CB 4.41Å; Q132-M137 HydrophobicContact CG-SD 4.37Å; Q132-M137 PolarHBondContact OE1-SD 3.33Å; Q132-M137 VanDerWaalsContact OE1-SD 3.35Å
133	N	75.4	Confident	89	Confident	130 Å²	130	28.8 Å²	28.8	70%	0.695	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	12.7	178.3	-56.2	-30.1	0	0	0	116.1	F131 S135	F131-N133 PolarHBondContact O-N 2.91Å; N133-S135 PolarHBondContact O-N 3.02Å
134	G	74.1	Confident	88.6	Confident	77 Å²	77	29.3 Å²	29.3	79%	0.794	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.2	-22.3	177.9	0	0	0	0	0	115.7	Q132	Q132-G134 PolarHBondContact O-N 3.14Å
135	S	76.5	Confident	87.8	Confident	94 Å²	94	32.5 Å²	32.5	66%	0.657	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-7.2	173.3	58.3	0	0	0	0	114	N133	N133-S135 PolarHBondContact O-N 3.02Å
136	G	83.1	Confident	86.9	Confident	13 Å²	13	36.4 Å²	36.4	13%	0.134	22%	0.219	C	C	.	.			trans	81.4	158.7	-165.5	0	0	0	0	0	112.3	D129 Q132	D129-G136 CarbonylContact O-C 3.59Å; D129-G136 WeakPolarHBondContact O-CA 3.47Å; Q132-G136 CarbonylContact O-C 3.43Å; Q132-G136 VanDerWaalsContact O-CA 3.27Å; Q132-G136 WeakPolarHBondContact O-CA 3.34Å; Q132-G136 PolarHBondContact O-N 3.46Å
137	M	88.8	Confident	85.9	Confident	23 Å²	23	40.2 Å²	40.2	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	175.8	-169.1	168.3	87.7	0	0	109.3	C103 V128 D129 Q132 E139 L168	C103-M137 HydrophobicContact CB-CE 3.66Å; C103-M137 WeakPolarHBondContact SG-CE 3.42Å; V128-M137 WeakPolarHBondContact CA-O 3.28Å; D129-M137 PolarHBondContact N-O 3.22Å; D129-M137 PolarHBondContact O-N 3.03Å; Q132-M137 HydrophobicContact CB-CB 4.08Å; Q132-M137 VanDerWaalsContact CD-SD 3.6Å; Q132-M137 HydrophobicContact CG-CB 4.41Å; Q132-M137 HydrophobicContact CG-SD 4.37Å; Q132-M137 PolarHBondContact OE1-SD 3.33Å; Q132-M137 VanDerWaalsContact OE1-SD 3.35Å; M137-E139 HydrophobicContact CE-CG 4.44Å; M137-L168 HydrophobicContact CE-CD1 3.97Å; M137-L168 HydrophobicContact CE-CD2 4.11Å; M137-L168 HydrophobicContact SD-CD1 3.91Å; M137-L168 HydrophobicContact SD-CD2 4.01Å
138	I	92.3	Very high	84.8	Confident	18 Å²	18	43 Å²	43	9%	0.092	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	129.3	175.6	-60.8	-167.5	0	0	0	108.1	L21 I24 L25 V126 V127 V128	L21-I138 HydrophobicContact CD1-CD1 3.23Å; L21-I138 HydrophobicContact CD1-CG1 4.38Å; I24-I138 HydrophobicContact CG2-CD1 4.5Å; L25-I138 HydrophobicContact CD2-CD1 4.12Å; L25-I138 HydrophobicContact CD2-CG1 4.28Å; L25-I138 HydrophobicContact CG-CD1 4.16Å; V126-I138 HydrophobicContact CG1-CG2 3.47Å; V126-I138 VanDerWaalsContact CG1-CG2 3.47Å; V127-I138 WeakPolarHBondContact O-CA 3.22Å; V128-I138 HydrophobicContact CB-CG1 4.27Å; V128-I138 HydrophobicContact CG1-CD1 4.38Å; V128-I138 HydrophobicContact CG1-CG1 4.02Å; V128-I138 HydrophobicContact CG2-CB 4.3Å; V128-I138 HydrophobicContact CG2-CD1 3.77Å; V128-I138 HydrophobicContact CG2-CG1 3.61Å; V128-I138 HydrophobicContact CG2-CG2 4.1Å
139	E	92.2	Very high	83.6	Confident	40 Å²	40	46.4 Å²	46.4	19%	0.187	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	146	170.5	-60.6	-162.9	132.6	0	0	110.1	C103 V126 V127 M137 F141 L168	C103-E139 HydrophobicContact CB-CB 3.75Å; C103-E139 HydrophobicContact CB-CG 3.78Å; C103-E139 WeakPolarHBondContact CB-OE2 3.48Å; V126-E139 CarbonylContact C-O 3.5Å; V126-E139 WeakPolarHBondContact CA-O 2.98Å; V127-E139 PolarHBondContact N-O 3.19Å; V127-E139 PolarHBondContact O-N 3.4Å; M137-E139 HydrophobicContact CE-CG 4.44Å; E139-F141 HydrophobicContact CB-CE1 4.41Å; E139-F141 HydrophobicContact CB-CE2 3.64Å; E139-F141 HydrophobicContact CB-CZ 3.56Å; E139-F141 HydrophobicContact CG-CZ 4.47Å; E139-F141 WeakPolarHBondContact OE2-CZ 3.27Å; E139-L168 WeakPolarHBondContact OE1-CD1 3.31Å
140	A	93.6	Very high	82.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.1	176	0	0	0	0	0	109.4	V14 A125 V126 A183 L184 V186	V14-A140 HydrophobicContact CG2-CB 4.01Å; A125-A140 CarbonylContact O-C 3.46Å; A125-A140 WeakPolarHBondContact O-CA 3.33Å; V126-A140 HydrophobicContact CG2-CB 4.03Å; A140-A183 CarbonylContact O-C 3.46Å; A140-A183 WeakPolarHBondContact O-CA 3.29Å; A140-L184 HydrophobicContact CB-CB 4.1Å; A140-L184 PolarHBondContact O-N 3.5Å; A140-V186 HydrophobicContact CB-CG2 3.67Å
141	F	92.3	Very high	81.6	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	156.9	-176.5	-56.6	-82.5	0	0	0	111.4	C103 L105 A125 V127 E139 Y181 Y182 A183	C103-F141 HydrophobicContact CB-CE2 4.14Å; C103-F141 HydrophobicContact CB-CZ 4.15Å; L105-F141 HydrophobicContact CD1-CB 3.91Å; L105-F141 HydrophobicContact CD1-CG 4.46Å; L105-F141 HydrophobicContact CD2-CD2 4.4Å; L105-F141 HydrophobicContact CG-CB 4.35Å; L105-F141 HydrophobicContact CG-CD2 4.38Å; L105-F141 HydrophobicContact CG-CG 4.4Å; A125-F141 PolarHBondContact N-O 2.83Å; A125-F141 PolarHBondContact O-N 3.15Å; V127-F141 HydrophobicContact CB-CD2 4.49Å; V127-F141 HydrophobicContact CB-CE2 3.97Å; V127-F141 HydrophobicContact CG2-CD2 3.73Å; V127-F141 HydrophobicContact CG2-CE2 3.58Å; E139-F141 HydrophobicContact CB-CE1 4.41Å; E139-F141 HydrophobicContact CB-CE2 3.64Å; E139-F141 HydrophobicContact CB-CZ 3.56Å; E139-F141 HydrophobicContact CG-CZ 4.47Å; E139-F141 WeakPolarHBondContact OE2-CZ 3.27Å; F141-Y181 AromaticContact CD1-CD2 3.79Å; F141-Y181 HydrophobicContact CD1-CD2 3.79Å; F141-Y181 HydrophobicContact CD1-CE2 4.08Å; F141-Y181 HydrophobicContact CE1-CD2 4.38Å; F141-Y181 HydrophobicContact CE1-CE2 4.23Å; F141-Y181 HydrophobicContact CG-CD2 4.37Å; F141-Y182 VanDerWaalsContact CA-O 3.29Å; F141-Y182 WeakPolarHBondContact CA-O 2.94Å; F141-A183 HydrophobicContact CD1-CB 4.09Å; F141-A183 HydrophobicContact CE1-CB 4Å
142	R	90.4	Very high	80.4	Confident	15 Å²	15	57.5 Å²	57.5	6%	0.057	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147	167.2	-171	-177.4	-56.9	-69.2	-2.3	109.5	E12 E117 E121 R122 A123 Y181 Y182 L184	E12-R142 IonicContact OE1-CZ 3.48Å; E12-R142 IonicContact OE1-NE 3.53Å; E12-R142 PolarHBondContact OE1-NE 3.12Å; E12-R142 IonicContact OE1-NH2 3.92Å; E12-R142 PolarHBondContact OE1-NH2 3.47Å; E117-R142 VanDerWaalsContact OE1-CG 3.25Å; E117-R142 WeakPolarHBondContact OE1-CG 3.25Å; E121-R142 PolarHBondContact O-NH1 2.73Å; R122-R142 PolarHBondContact O-NH1 3.33Å; R122-R142 PolarHBondContact O-NH2 2.99Å; A123-R142 PolarHBondContact O-NH1 3.5Å; R142-Y181 CarbonylContact O-C 3.58Å; R142-Y181 WeakPolarHBondContact O-CA 3.17Å; R142-Y181 WeakPolarHBondContact O-CB 3.2Å; R142-Y182 HydrophobicContact CB-CE1 3.86Å; R142-Y182 HydrophobicContact CB-CE2 4.36Å; R142-Y182 VanDerWaalsContact CD-OH 3.27Å; R142-Y182 WeakPolarHBondContact CD-OH 3.26Å; R142-Y182 HydrophobicContact CG-CE1 4.24Å; R142-Y182 PolarHBondContact N-O 3.14Å; R142-Y182 WeakPolarHBondContact O-CD1 3.3Å; R142-Y182 PolarHBondContact O-N 2.98Å; R142-L184 HydrophobicContact CB-CD1 4.33Å
143	L	89	Confident	79.5	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.099	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	152	175.6	-60.4	-179.3	0	0	0	111.7	L105 M110 Q113 M114 E117 C180	L105-L143 HydrophobicContact CD1-CD2 4.16Å; M110-L143 HydrophobicContact CB-CD2 4.15Å; M110-L143 HydrophobicContact CG-CD2 3.9Å; M110-L143 WeakPolarHBondContact O-CD1 3.36Å; Q113-L143 HydrophobicContact CB-CD1 4.08Å; Q113-L143 HydrophobicContact CB-CG 4.2Å; Q113-L143 HydrophobicContact CG-CD1 3.83Å; Q113-L143 HydrophobicContact CG-CD2 4.2Å; Q113-L143 HydrophobicContact CG-CG 3.58Å; M114-L143 HydrophobicContact CB-CD1 3.74Å; E117-L143 PolarHBondContact OE1-N 3.38Å; L143-C180 WeakPolarHBondContact CA-O 3.44Å
144	I	84.3	Confident	78.6	Confident	14 Å²	14	55.7 Å²	55.7	7%	0.072	34%	0.344	C	S	.	.			trans	-86	125.9	167.3	-67.4	170.8	0	0	0	107	P146 E149 Q155 E157 R179 C180 Y182	I144-P146 VanDerWaalsContact O-CD 3.23Å; I144-P146 WeakPolarHBondContact O-CD 3.06Å; I144-E149 HydrophobicContact CG2-CB 4.35Å; I144-Q155 VanDerWaalsContact C-OE1 3.29Å; I144-E157 HydrophobicContact CD1-CG 4.49Å; I144-E157 VanDerWaalsContact CD1-OE1 3.32Å; I144-E157 WeakPolarHBondContact CD1-OE1 3.5Å; I144-R179 HydrophobicContact CD1-CB 3.88Å; I144-R179 WeakPolarHBondContact CD1-O 3.23Å; I144-C180 PolarHBondContact N-O 3.18Å; I144-Y182 HydrophobicContact CG1-CD1 3.82Å
145	N	79.7	Confident	77.9	Confident	67 Å²	67	53.6 Å²	53.6	36%	0.358	31%	0.314	S	S	.	.			trans	-77.8	110.7	174	-174	-33.8	0	0	0	108.1	V147 L148 E149 Q155	N145-V147 PolarHBondContact O-N 3.3Å; N145-V147 VanDerWaalsContact O-N 3.16Å; N145-V147 VanDerWaalsContact OD1-CB 3.27Å; N145-V147 WeakPolarHBondContact OD1-CB 3.33Å; N145-V147 PolarHBondContact OD1-N 3.42Å; N145-L148 HydrophobicContact CB-CB 4.23Å; N145-L148 HydrophobicContact CB-CD1 4.03Å; N145-L148 HydrophobicContact CB-CG 4.12Å; N145-L148 PolarHBondContact O-N 2.75Å; N145-L148 VanDerWaalsContact O-N 3.09Å; N145-E149 PolarHBondContact O-N 2.81Å; N145-E149 VanDerWaalsContact O-N 3.1Å; N145-Q155 VanDerWaalsContact N-CD 3.28Å; N145-Q155 VanDerWaalsContact N-NE2 3.18Å
146	P	74.7	Confident	77	Confident	81 Å²	81	52.4 Å²	52.4	53%	0.526	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-27	-175.5	26.2	-34.2	0	0	0	112	I144 E149 I150	I144-P146 VanDerWaalsContact O-CD 3.23Å; I144-P146 WeakPolarHBondContact O-CD 3.06Å; P146-E149 PolarHBondContact O-N 3.18Å; P146-I150 WeakPolarHBondContact O-CD1 3.13Å; P146-I150 WeakPolarHBondContact O-CG1 3.29Å; P146-I150 PolarHBondContact O-N 3.47Å
147	V	75.2	Confident	75.5	Confident	81 Å²	81	55 Å²	55	49%	0.491	30%	0.303	S	S	.	.	H	α-helix	trans	-66.7	-45.8	176.9	-176.6	0	0	0	0	110.2	N145 E149 I150 F151	N145-V147 PolarHBondContact O-N 3.3Å; N145-V147 VanDerWaalsContact O-N 3.16Å; N145-V147 VanDerWaalsContact OD1-CB 3.27Å; N145-V147 WeakPolarHBondContact OD1-CB 3.33Å; N145-V147 PolarHBondContact OD1-N 3.42Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 3.37Å; V147-I150 PolarHBondContact O-N 3.08Å; V147-F151 HydrophobicContact CG1-CD2 3.92Å; V147-F151 HydrophobicContact CG1-CE2 3.69Å; V147-F151 WeakPolarHBondContact O-CD2 3.16Å; V147-F151 PolarHBondContact O-N 3.32Å
148	L	73.1	Confident	73.3	Confident	58 Å²	58	59.4 Å²	59.4	30%	0.304	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-37.3	178.5	-66.6	178.1	0	0	0	111.8	N145 F151 G152 I153 Q155	N145-L148 HydrophobicContact CB-CB 4.23Å; N145-L148 HydrophobicContact CB-CD1 4.03Å; N145-L148 HydrophobicContact CB-CG 4.12Å; N145-L148 PolarHBondContact O-N 2.75Å; N145-L148 VanDerWaalsContact O-N 3.09Å; L148-F151 PolarHBondContact O-N 2.76Å; L148-G152 PolarHBondContact O-N 2.97Å; L148-I153 HydrophobicContact CB-CB 4.4Å; L148-I153 HydrophobicContact CD2-CB 4.27Å; L148-I153 HydrophobicContact CD2-CD1 3.96Å; L148-I153 HydrophobicContact CD2-CG2 4.37Å; L148-I153 PolarHBondContact O-N 3.4Å; L148-Q155 HydrophobicContact CB-CG 4.01Å; L148-Q155 HydrophobicContact CD1-CG 4.19Å
149	E	69.1	Low	71.2	Confident	72 Å²	72	58.9 Å²	58.9	34%	0.336	33%	0.329	S	S	.	.	H	α-helix	trans	-62.8	-43.2	175.4	-164.9	-178.5	-168.2	0	0	111.5	I144 N145 P146 V147 F151 G152 R179	I144-E149 HydrophobicContact CG2-CB 4.35Å; N145-E149 PolarHBondContact O-N 2.81Å; N145-E149 VanDerWaalsContact O-N 3.1Å; P146-E149 PolarHBondContact O-N 3.18Å; V147-E149 VanDerWaalsContact C-N 3.34Å; V147-E149 PolarHBondContact O-N 3.37Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 2.79Å; E149-G152 PolarHBondContact O-N 3.25Å; E149-R179 WeakPolarHBondContact OE1-CD 3.41Å; E149-R179 IonicContact OE1-CZ 3.58Å; E149-R179 IonicContact OE1-NE 3.75Å; E149-R179 IonicContact OE1-NH1 3.65Å; E149-R179 PolarHBondContact OE1-NH1 2.94Å
150	I	70.5	Confident	68.9	Low	140 Å²	140	58.2 Å²	58.2	72%	0.718	33%	0.329	S	S	*	.	H	α-helix	trans	-59.3	-39.2	176.1	-70.8	163	0	0	0	111.5	P146 V147 G152	P146-I150 WeakPolarHBondContact O-CD1 3.13Å; P146-I150 WeakPolarHBondContact O-CG1 3.29Å; P146-I150 PolarHBondContact O-N 3.47Å; V147-I150 PolarHBondContact O-N 3.08Å; I150-G152 PolarHBondContact O-N 3.42Å
151	F	71.5	Confident	66.5	Low	152 Å²	152	61 Å²	61	67%	0.667	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	2.7	177.6	-72.3	-66.1	0	0	0	113.9	V147 L148 E149 I153	V147-F151 HydrophobicContact CG1-CD2 3.92Å; V147-F151 HydrophobicContact CG1-CE2 3.69Å; V147-F151 WeakPolarHBondContact O-CD2 3.16Å; V147-F151 PolarHBondContact O-N 3.32Å; L148-F151 PolarHBondContact O-N 2.76Å; E149-F151 VanDerWaalsContact C-N 3.27Å; E149-F151 PolarHBondContact O-N 2.79Å; F151-I153 HydrophobicContact CB-CD1 4.2Å; F151-I153 HydrophobicContact CB-CG1 4.06Å; F151-I153 PolarHBondContact O-N 3.3Å; F151-I153 VanDerWaalsContact O-N 3.13Å
152	G	62.4	Low	64.1	Low	64 Å²	64	65.9 Å²	65.9	66%	0.66	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	16.3	-176.6	0	0	0	0	0	113.1	L148 E149 I150 G154	L148-G152 PolarHBondContact O-N 2.97Å; E149-G152 PolarHBondContact O-N 3.25Å; I150-G152 PolarHBondContact O-N 3.42Å; G152-G154 VanDerWaalsContact C-N 3.32Å; G152-G154 PolarHBondContact O-N 2.75Å
153	I	62.2	Low	61.4	Low	95 Å²	95	70.9 Å²	70.9	49%	0.487	42%	0.417	S	S	.	.			trans	-76.8	95.3	171.9	-59.2	177.6	0	0	0	105	L148 F151 Q155	L148-I153 HydrophobicContact CB-CB 4.4Å; L148-I153 HydrophobicContact CD2-CB 4.27Å; L148-I153 HydrophobicContact CD2-CD1 3.96Å; L148-I153 HydrophobicContact CD2-CG2 4.37Å; L148-I153 PolarHBondContact O-N 3.4Å; F151-I153 HydrophobicContact CB-CD1 4.2Å; F151-I153 HydrophobicContact CB-CG1 4.06Å; F151-I153 PolarHBondContact O-N 3.3Å; F151-I153 VanDerWaalsContact O-N 3.13Å; I153-Q155 PolarHBondContact O-N 3.42Å
154	G	56	Low	58.9	Low	45 Å²	45	74.7 Å²	74.7	46%	0.464	44%	0.437	S	S	.	.			trans	-49.7	112.6	178.3	0	0	0	0	0	109.6	G152	G152-G154 VanDerWaalsContact C-N 3.32Å; G152-G154 PolarHBondContact O-N 2.75Å
155	Q	59.6	Low	56.4	Low	34 Å²	34	78.5 Å²	78.5	16%	0.159	46%	0.462	C	S	.	.			trans	-69.7	166.1	168.8	-69.6	-161.5	-56.7	0	0	108.9	I144 N145 L148 I153 E157	I144-Q155 VanDerWaalsContact C-OE1 3.29Å; N145-Q155 VanDerWaalsContact N-CD 3.28Å; N145-Q155 VanDerWaalsContact N-NE2 3.18Å; L148-Q155 HydrophobicContact CB-CG 4.01Å; L148-Q155 HydrophobicContact CD1-CG 4.19Å; I153-Q155 PolarHBondContact O-N 3.42Å; Q155-E157 HydrophobicContact CB-CG 4.22Å; Q155-E157 PolarHBondContact O-N 3.34Å
156	R	56.9	Low	54.5	Low	69 Å²	69	84.4 Å²	84.4	26%	0.26	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-69.8	28.7	-168.1	-61.1	179.1	176.6	-171.9	-1.8	114.5	T10 E12 K47 T158 T159	T10-R156 HydrophobicContact CG2-CG 3.97Å; T10-R156 VanDerWaalsContact OG1-CB 3.28Å; T10-R156 WeakPolarHBondContact OG1-CB 3.21Å; T10-R156 WeakPolarHBondContact OG1-CD 3.36Å; T10-R156 VanDerWaalsContact OG1-CG 3.22Å; T10-R156 WeakPolarHBondContact OG1-CG 3.05Å; E12-R156 WeakPolarHBondContact OE2-CD 3.23Å; E12-R156 IonicContact OE2-CZ 2.81Å; E12-R156 IonicContact OE2-NE 2.78Å; E12-R156 IonicContact OE2-NH1 2.69Å; E12-R156 PolarHBondContact OE2-NH1 2.85Å; K47-R156 PolarHBondContact O-NH1 3.25Å; K47-R156 PolarHBondContact O-NH2 3.01Å; R156-T158 VanDerWaalsContact C-N 3.3Å; R156-T158 PolarHBondContact O-N 2.86Å; R156-T159 WeakPolarHBondContact O-CG2 3.31Å; R156-T159 PolarHBondContact O-OG1 3.28Å
157	E	51.9	Low	52.5	Low	68 Å²	68	88.2 Å²	88.2	32%	0.318	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-61.8	-30.2	-174	-61.7	-179.8	-177.2	0	0	113.4	I144 Q155 T159 Y182	I144-E157 HydrophobicContact CD1-CG 4.49Å; I144-E157 VanDerWaalsContact CD1-OE1 3.32Å; I144-E157 WeakPolarHBondContact CD1-OE1 3.5Å; Q155-E157 HydrophobicContact CB-CG 4.22Å; Q155-E157 PolarHBondContact O-N 3.34Å; E157-T159 VanDerWaalsContact C-N 3.29Å; E157-T159 PolarHBondContact O-N 3.19Å; E157-Y182 HydrophobicContact CG-CD1 4.38Å; E157-Y182 HydrophobicContact CG-CG 4.49Å
158	T	42.8	Very low	50.7	Low	115 Å²	115	87.6 Å²	87.6	71%	0.706	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-89.1	17.7	-172.8	34.8	0	0	0	0	114.8	R156	R156-T158 VanDerWaalsContact C-N 3.3Å; R156-T158 PolarHBondContact O-N 2.86Å
159	T	47.9	Very low	49	Very low	7 Å²	7	86.6 Å²	86.6	4%	0.043	49%	0.491	C	S	.	.	S	Bend	trans	-120.7	116.4	-156.5	76.8	0	0	0	0	110.6	D9 T10 S11 E12 R156 E157	D9-T159 HydrophobicContact CB-CG2 4.38Å; D9-T159 VanDerWaalsContact OD1-CA 3.32Å; D9-T159 WeakPolarHBondContact OD1-CA 3.49Å; D9-T159 WeakPolarHBondContact OD1-CB 3.21Å; D9-T159 WeakPolarHBondContact OD1-CG2 3.49Å; T10-T159 VanDerWaalsContact N-CG2 3.33Å; T10-T159 WeakPolarHBondContact OG1-CG2 3.46Å; T10-T159 PolarHBondContact OG1-OG1 3.05Å; S11-T159 VanDerWaalsContact N-CB 3.31Å; E12-T159 PolarHBondContact N-OG1 3.4Å; R156-T159 WeakPolarHBondContact O-CG2 3.31Å; R156-T159 PolarHBondContact O-OG1 3.28Å; E157-T159 VanDerWaalsContact C-N 3.29Å; E157-T159 PolarHBondContact O-N 3.19Å
160	S	43.6	Very low	47.4	Very low	26 Å²	26	87.3 Å²	87.3	18%	0.182	50%	0.504	C	S	.	.	S	Bend	trans	79.8	-17.6	-175.4	67.5	0	0	0	0	120.5	E12 A162 H185	E12-S160 PolarHBondContact O-OG 3.05Å; S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.35Å; S160-H185 WeakPolarHBondContact OG-CB 3.46Å
161	N	44.2	Very low	46	Very low	59 Å²	59	87 Å²	87	32%	0.316	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-85.4	10.2	178.7	-74	-28.3	0	0	0	115.7	T163 L164 A183	N161-T163 PolarHBondContact O-N 3.48Å; N161-L164 PolarHBondContact O-N 3.5Å; N161-A183 PolarHBondContact ND2-O 3.48Å
162	A	41.3	Very low	44.5	Very low	103 Å²	103	84 Å²	84	85%	0.851	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-57.3	-20.1	175.6	0	0	0	0	0	113.1	S160	S160-A162 VanDerWaalsContact C-N 3.33Å; S160-A162 PolarHBondContact O-N 3.35Å
163	T	34.4	Very low	43.3	Very low	120 Å²	120	89.9 Å²	89.9	74%	0.736	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-114.5	-5.7	-176.8	33.5	0	0	0	0	115.8	N161 P165	N161-T163 PolarHBondContact O-N 3.48Å; T163-P165 WeakPolarHBondContact O-CD 3.06Å
164	L	35.5	Very low	42.3	Very low	99 Å²	99	92.3 Å²	92.3	52%	0.518	51%	0.505	S	S	.	.	S	Bend	trans	-89.6	106.1	170.9	-98.5	113.1	0	0	0	109	N161 K166	N161-L164 PolarHBondContact O-N 3.5Å; L164-K166 PolarHBondContact O-N 2.78Å
165	P	32.9	Very low	41.7	Very low	93 Å²	93	96.4 Å²	96.4	60%	0.604	51%	0.507	S	S	*	.			trans	-56.3	139.9	171.3	24.3	-30.9	0	0	0	107.8	T163 M167	T163-P165 WeakPolarHBondContact O-CD 3.06Å; P165-M167 PolarHBondContact O-N 3.47Å
166	K	38.1	Very low	40.7	Very low	192 Å²	192	104.4 Å²	104.4	84%	0.835	54%	0.541	S	S	*	.	S	Bend	trans	-52.2	47.7	172.4	-68.9	173.9	170.6	174.9	0	113.9	L164 L168 A169	L164-K166 PolarHBondContact O-N 2.78Å; K166-L168 PolarHBondContact O-N 2.61Å; K166-A169 HydrophobicContact CB-CB 4.12Å; K166-A169 WeakPolarHBondContact O-CB 3.28Å; K166-A169 PolarHBondContact O-N 3.48Å
167	M	33.8	Very low	40.2	Very low	161 Å²	161	103.8 Å²	103.8	79%	0.793	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	8.1	-173.8	-141.9	-168.6	-76.9	0	0	112.5	P165	P165-M167 PolarHBondContact O-N 3.47Å
168	L	37.5	Very low	40.1	Very low	67 Å²	67	105 Å²	105	35%	0.351	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.8	7.6	166.5	-68.6	167.9	0	0	0	113	M137 E139 K166 S170 Y172	M137-L168 HydrophobicContact CE-CD1 3.97Å; M137-L168 HydrophobicContact CE-CD2 4.11Å; M137-L168 HydrophobicContact SD-CD1 3.91Å; M137-L168 HydrophobicContact SD-CD2 4.01Å; E139-L168 WeakPolarHBondContact OE1-CD1 3.31Å; K166-L168 PolarHBondContact O-N 2.61Å; L168-S170 PolarHBondContact O-N 2.92Å; L168-S170 VanDerWaalsContact O-N 3.14Å; L168-Y172 PolarHBondContact O-N 2.96Å
169	A	37.4	Very low	41.4	Very low	38 Å²	38	107.4 Å²	107.4	31%	0.314	55%	0.553	S	S	.	*	H	α-helix	trans	-67.9	-11.2	-179.7	0	0	0	0	0	114.4	K166 F173	K166-A169 HydrophobicContact CB-CB 4.12Å; K166-A169 WeakPolarHBondContact O-CB 3.28Å; K166-A169 PolarHBondContact O-N 3.48Å; A169-F173 WeakPolarHBondContact O-CB 3.32Å; A169-F173 PolarHBondContact O-N 3.36Å
170	S	35.8	Very low	43	Very low	87 Å²	87	109.8 Å²	109.8	61%	0.608	57%	0.569	S	S	*	*	H	α-helix	trans	-69.7	-37.9	179.1	55	0	0	0	0	112.7	L168	L168-S170 PolarHBondContact O-N 2.92Å; L168-S170 VanDerWaalsContact O-N 3.14Å
171	H	40.8	Very low	45.1	Very low	133 Å²	133	109 Å²	109	62%	0.616	56%	0.562	S	S	*	*	H	α-helix	trans	-86.2	-34.3	174.1	-97.3	-103.3	0	0	0	112.6	F173 L174	H171-F173 VanDerWaalsContact C-N 3.32Å; H171-F173 PolarHBondContact O-N 3.31Å; H171-L174 PolarHBondContact O-N 3Å
172	Y	39.5	Very low	47	Very low	90 Å²	90	107.2 Å²	107.2	35%	0.353	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-31.2	179	-139.9	-84.5	0	0	0	113	L168 R175 Y181	L168-Y172 PolarHBondContact O-N 2.96Å; Y172-R175 VanDerWaalsContact O-O 3.08Å; Y172-Y181 AromaticContact CE2-CE2 3.93Å; Y172-Y181 HydrophobicContact CE2-CE2 3.93Å; Y172-Y181 AromaticContact CZ-CE2 3.74Å; Y172-Y181 VanDerWaalsContact OH-CD2 3.3Å; Y172-Y181 WeakPolarHBondContact OH-CD2 3.42Å; Y172-Y181 WeakPolarHBondContact OH-CE2 3.5Å
173	F	37.4	Very low	49.2	Very low	186 Å²	186	103.8 Å²	103.8	82%	0.816	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-22.6	-177.7	-160.2	-95.9	0	0	0	113.5	A169 H171	A169-F173 WeakPolarHBondContact O-CB 3.32Å; A169-F173 PolarHBondContact O-N 3.36Å; H171-F173 VanDerWaalsContact C-N 3.32Å; H171-F173 PolarHBondContact O-N 3.31Å
174	L	40.2	Very low	51.7	Low	147 Å²	147	98.4 Å²	98.4	77%	0.77	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-27.1	179.7	-82.3	166	0	0	0	113	H171	H171-L174 PolarHBondContact O-N 3Å
175	R	43.5	Very low	54.3	Low	131 Å²	131	96.1 Å²	96.1	49%	0.494	48%	0.476	S	S	.	.	S	Bend	trans	-93.8	113.8	171.3	-64.9	-168.5	173.7	-171.3	1.7	107.5	Y172 Q177	Y172-R175 VanDerWaalsContact O-O 3.08Å; R175-Q177 PolarHBondContact O-N 2.83Å
176	K	39.1	Very low	57.1	Low	202 Å²	202	92.8 Å²	92.8	88%	0.878	45%	0.454	S	S	*	.			trans	-61.8	47.7	172	-72.8	178.3	168.3	179.6	0	112.8	S178	K176-S178 PolarHBondContact O-N 3.46Å
177	Q	46.7	Very low	59.6	Low	56 Å²	56	87.2 Å²	87.2	26%	0.262	43%	0.431	S	S	.	.			trans	-81.1	81.9	168.4	-92.4	176.9	-23.1	0	0	107.3	L105 R175 Y181	L105-Q177 PolarHBondContact O-NE2 3.09Å; L105-Q177 PolarHBondContact O-OE1 3.37Å; R175-Q177 PolarHBondContact O-N 2.83Å; Q177-Y181 PolarHBondContact OE1-OH 2.61Å
178	S	50.5	Low	62.3	Low	93 Å²	93	83.9 Å²	83.9	65%	0.65	41%	0.41	S	S	*	.			trans	-37.5	135.6	155.4	-44.8	0	0	0	0	109.8	K176 C180	K176-S178 PolarHBondContact O-N 3.46Å; S178-C180 VanDerWaalsContact C-N 3.27Å; S178-C180 PolarHBondContact O-N 3.16Å; S178-C180 PolarHBondContact O-SG 3.09Å
179	R	69.5	Low	64.6	Low	166 Å²	166	82.1 Å²	82.1	63%	0.626	40%	0.402	S	S	*	.	S	Bend	trans	-14.9	62.5	171.7	-64.9	179	170.9	177.2	-7.4	118.4	I144 E149	I144-R179 HydrophobicContact CD1-CB 3.88Å; I144-R179 WeakPolarHBondContact CD1-O 3.23Å; E149-R179 WeakPolarHBondContact OE1-CD 3.41Å; E149-R179 IonicContact OE1-CZ 3.58Å; E149-R179 IonicContact OE1-NE 3.75Å; E149-R179 IonicContact OE1-NH1 3.65Å; E149-R179 PolarHBondContact OE1-NH1 2.94Å
180	C	81.8	Confident	66.9	Low	57 Å²	57	83.9 Å²	83.9	39%	0.385	40%	0.401	S	S	.	.	S	Bend	trans	-95.4	-20.8	175.5	-68.1	0	0	0	0	112.2	M110 L143 I144 S178	M110-C180 HydrophobicContact SD-CB 3.59Å; M110-C180 VanDerWaalsContact SD-CB 3.59Å; L143-C180 WeakPolarHBondContact CA-O 3.44Å; I144-C180 PolarHBondContact N-O 3.18Å; S178-C180 VanDerWaalsContact C-N 3.27Å; S178-C180 PolarHBondContact O-N 3.16Å; S178-C180 PolarHBondContact O-SG 3.09Å
181	Y	86.8	Confident	69.2	Low	9 Å²	9	83 Å²	83	4%	0.035	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	164.5	-178.2	55.1	-93.1	0	0	0	110.8	L105 M110 F141 R142 Y172 Q177	L105-Y181 HydrophobicContact CB-CD1 4.14Å; L105-Y181 HydrophobicContact CB-CE1 3.86Å; L105-Y181 HydrophobicContact CB-CE2 4.49Å; L105-Y181 HydrophobicContact CD1-CD1 4.15Å; L105-Y181 HydrophobicContact CD1-CD2 4.3Å; L105-Y181 HydrophobicContact CD1-CG 3.98Å; L105-Y181 PolarHBondContact N-OH 3.39Å; M110-Y181 HydrophobicContact CG-CD1 4.19Å; M110-Y181 HydrophobicContact CG-CE1 4.46Å; M110-Y181 HydrophobicContact SD-CD1 3.75Å; M110-Y181 HydrophobicContact SD-CE1 3.9Å; F141-Y181 AromaticContact CD1-CD2 3.79Å; F141-Y181 HydrophobicContact CD1-CD2 3.79Å; F141-Y181 HydrophobicContact CD1-CE2 4.08Å; F141-Y181 HydrophobicContact CE1-CD2 4.38Å; F141-Y181 HydrophobicContact CE1-CE2 4.23Å; F141-Y181 HydrophobicContact CG-CD2 4.37Å; R142-Y181 CarbonylContact O-C 3.58Å; R142-Y181 WeakPolarHBondContact O-CA 3.17Å; R142-Y181 WeakPolarHBondContact O-CB 3.2Å; Y172-Y181 AromaticContact CE2-CE2 3.93Å; Y172-Y181 HydrophobicContact CE2-CE2 3.93Å; Y172-Y181 AromaticContact CZ-CE2 3.74Å; Y172-Y181 VanDerWaalsContact OH-CD2 3.3Å; Y172-Y181 WeakPolarHBondContact OH-CD2 3.42Å; Y172-Y181 WeakPolarHBondContact OH-CE2 3.5Å; Q177-Y181 PolarHBondContact OE1-OH 2.61Å
182	Y	84.8	Confident	71.3	Confident	22 Å²	22	82.5 Å²	82.5	9%	0.086	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.4	175.4	64.4	-83.3	0	0	0	110.9	F141 R142 I144 E157 L184	F141-Y182 VanDerWaalsContact CA-O 3.29Å; F141-Y182 WeakPolarHBondContact CA-O 2.94Å; R142-Y182 HydrophobicContact CB-CE1 3.86Å; R142-Y182 HydrophobicContact CB-CE2 4.36Å; R142-Y182 VanDerWaalsContact CD-OH 3.27Å; R142-Y182 WeakPolarHBondContact CD-OH 3.26Å; R142-Y182 HydrophobicContact CG-CE1 4.24Å; R142-Y182 PolarHBondContact N-O 3.14Å; R142-Y182 WeakPolarHBondContact O-CD1 3.3Å; R142-Y182 PolarHBondContact O-N 2.98Å; I144-Y182 HydrophobicContact CG1-CD1 3.82Å; E157-Y182 HydrophobicContact CG-CD1 4.38Å; E157-Y182 HydrophobicContact CG-CG 4.49Å; Y182-L184 HydrophobicContact CD2-CD2 4.36Å; Y182-L184 HydrophobicContact CE2-CD2 3.64Å; Y182-L184 HydrophobicContact CE2-CG 4.34Å
183	A	86.7	Confident	73.5	Confident	30 Å²	30	84.2 Å²	84.2	25%	0.248	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	136.8	177.1	0	0	0	0	0	111.2	A140 F141 N161	A140-A183 CarbonylContact O-C 3.46Å; A140-A183 WeakPolarHBondContact O-CA 3.29Å; F141-A183 HydrophobicContact CD1-CB 4.09Å; F141-A183 HydrophobicContact CE1-CB 4Å; N161-A183 PolarHBondContact ND2-O 3.48Å
184	L	88.4	Confident	75.6	Confident	8 Å²	8	78.2 Å²	78.2	4%	0.042	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.9	172.4	-65.8	167.7	0	0	0	109.7	E12 V14 I124 A140 R142 Y182 V186	E12-L184 HydrophobicContact CB-CD2 4.08Å; E12-L184 HydrophobicContact CG-CD2 3.81Å; V14-L184 HydrophobicContact CG2-CB 4.07Å; V14-L184 HydrophobicContact CG2-CD1 4Å; I124-L184 HydrophobicContact CB-CD1 4.36Å; I124-L184 HydrophobicContact CG2-CD1 3.58Å; A140-L184 HydrophobicContact CB-CB 4.1Å; A140-L184 PolarHBondContact O-N 3.5Å; R142-L184 HydrophobicContact CB-CD1 4.33Å; Y182-L184 HydrophobicContact CD2-CD2 4.36Å; Y182-L184 HydrophobicContact CE2-CD2 3.64Å; Y182-L184 HydrophobicContact CE2-CG 4.34Å; L184-V186 PolarHBondContact O-N 3.03Å
185	H	88.7	Confident	77.5	Confident	51 Å²	51	75.6 Å²	75.6	24%	0.236	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	123.7	174.4	176.8	-95.1	0	0	0	110.8	K13 V14 S160	K13-H185 WeakPolarHBondContact CA-O 3.32Å; V14-H185 PolarHBondContact N-O 3.14Å; S160-H185 WeakPolarHBondContact OG-CB 3.46Å
186	V	91.2	Very high	79.3	Confident	23 Å²	23	74.3 Å²	74.3	14%	0.139	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	118.3	175.6	-173.5	0	0	0	0	108.9	V14 M16 A140 L184 Y188	V14-V186 HydrophobicContact CB-CG2 4.39Å; V14-V186 CarbonylContact O-C 3.52Å; V14-V186 WeakPolarHBondContact O-CA 3.32Å; M16-V186 HydrophobicContact CB-CG1 3.89Å; A140-V186 HydrophobicContact CB-CG2 3.67Å; L184-V186 PolarHBondContact O-N 3.03Å; V186-Y188 HydrophobicContact CG1-CE1 3.94Å
187	E	92.1	Very high	81.1	Confident	74 Å²	74	69.5 Å²	69.5	35%	0.346	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.3	175.7	-174.8	-177.1	173.7	0	0	109.4	K13 V14 L15 M16	K13-E187 IonicContact NZ-OE2 2.74Å; K13-E187 PolarHBondContact NZ-OE2 3.39Å; V14-E187 PolarHBondContact O-N 2.96Å; L15-E187 CarbonylContact C-O 3.59Å; L15-E187 WeakPolarHBondContact CA-O 3.31Å; L15-E187 HydrophobicContact CD2-CB 3.83Å; L15-E187 HydrophobicContact CD2-CG 4.15Å; L15-E187 WeakPolarHBondContact CD2-OE2 3.49Å; M16-E187 PolarHBondContact N-O 2.77Å
188	Y	90.8	Very high	82	Confident	91 Å²	91	74.9 Å²	74.9	36%	0.357	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	118.8	179.1	-55.7	-74.2	0	0	0	110.2	M16 L21 V186	M16-Y188 HydrophobicContact CB-CD1 4.01Å; M16-Y188 HydrophobicContact CB-CE1 4.15Å; M16-Y188 HydrophobicContact CG-CD1 4.42Å; M16-Y188 HydrophobicContact CG-CE1 4.37Å; L21-Y188 HydrophobicContact CD1-CE1 4.07Å; L21-Y188 HydrophobicContact CD2-CD1 3.89Å; L21-Y188 HydrophobicContact CD2-CE1 3.88Å; V186-Y188 HydrophobicContact CG1-CE1 3.94Å
189	T	84.8	Confident	82.1	Confident	31 Å²	31	78 Å²	78	19%	0.19	37%	0.372	C	S	.	.			trans	-104.6	136.3	178.4	61.2	0	0	0	0	110.2	L15 M16 K17 P18	L15-T189 HydrophobicContact CB-CG2 4.49Å; L15-T189 HydrophobicContact CD2-CG2 4.02Å; M16-T189 PolarHBondContact O-N 3.1Å; K17-T189 WeakPolarHBondContact CD-OG1 3.43Å; K17-T189 PolarHBondContact NZ-OG1 2.71Å; P18-T189 VanDerWaalsContact CD-O 3.28Å; P18-T189 WeakPolarHBondContact CD-O 3.08Å; P18-T189 WeakPolarHBondContact CG-O 3.4Å
190	Y	85.4	Confident	81.5	Confident	74 Å²	74	79.1 Å²	79.1	29%	0.29	38%	0.377	S	S	.	.			trans	-127.6	129.7	178.1	-56.3	-92.2	0	0	0	109	P18 K195	P18-Y190 HydrophobicContact CB-CD1 4.15Å; P18-Y190 HydrophobicContact CB-CE1 4.04Å; P18-Y190 HydrophobicContact CG-CD1 3.37Å; P18-Y190 HydrophobicContact CG-CE1 3.64Å; P18-Y190 HydrophobicContact CG-CG 4.21Å; Y190-K195 WeakPolarHBondContact O-CE 3.19Å
191	T	84.7	Confident	79.6	Confident	70 Å²	70	87.5 Å²	87.5	43%	0.429	40%	0.4	S	S	.	.			trans	-67.7	159.9	164.6	62.4	0	0	0	0	110.1	I193 E194 K195	T191-I193 PolarHBondContact O-N 3.5Å; T191-E194 WeakPolarHBondContact CB-OE2 3.13Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.27Å; T191-E194 PolarHBondContact N-OE2 3.09Å; T191-E194 PolarHBondContact O-N 3Å; T191-E194 VanDerWaalsContact O-N 3.15Å; T191-E194 WeakPolarHBondContact OG1-CB 3.49Å; T191-E194 VanDerWaalsContact OG1-CD 3.22Å; T191-E194 WeakPolarHBondContact OG1-CG 3.19Å; T191-E194 PolarHBondContact OG1-N 3.26Å; T191-E194 PolarHBondContact OG1-OE2 2.94Å; T191-K195 WeakPolarHBondContact O-CG 3.09Å; T191-K195 PolarHBondContact O-N 3.01Å
192	D	84.7	Confident	77.4	Confident	121 Å²	121	96.7 Å²	96.7	65%	0.647	46%	0.463	S	S	*	.	H	α-helix	trans	-63.8	-32.4	-178.9	-61.9	-35.6	0	0	0	112.3	K195 E196	D192-K195 PolarHBondContact O-N 3.27Å; D192-K195 IonicContact OD1-NZ 3.37Å; D192-K195 PolarHBondContact OD1-NZ 3.1Å; D192-E196 WeakPolarHBondContact O-CB 3.49Å; D192-E196 PolarHBondContact O-N 3.03Å
193	I	84.9	Confident	77.1	Confident	127 Å²	127	100.4 Å²	100.4	65%	0.651	48%	0.482	S	S	*	.	H	α-helix	trans	-64	-47.2	173.1	-58.5	173.9	0	0	0	110.6	T191 K195 E196 V197	T191-I193 PolarHBondContact O-N 3.5Å; I193-K195 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.16Å; I193-E196 PolarHBondContact O-N 3.15Å; I193-E196 VanDerWaalsContact O-N 3.14Å; I193-V197 WeakPolarHBondContact O-CG2 3.48Å; I193-V197 PolarHBondContact O-N 3.03Å
194	E	82.4	Confident	76.6	Confident	60 Å²	60	104.1 Å²	104.1	28%	0.28	49%	0.494	S	S	.	.	H	α-helix	trans	-63.9	-37.4	178.4	-72.3	164.9	141.8	0	0	111.8	P18 T191 E196 R198	P18-E194 WeakPolarHBondContact CD-OE1 3.47Å; T191-E194 WeakPolarHBondContact CB-OE2 3.13Å; T191-E194 WeakPolarHBondContact CG2-OE2 3.27Å; T191-E194 PolarHBondContact N-OE2 3.09Å; T191-E194 PolarHBondContact O-N 3Å; T191-E194 VanDerWaalsContact O-N 3.15Å; T191-E194 WeakPolarHBondContact OG1-CB 3.49Å; T191-E194 VanDerWaalsContact OG1-CD 3.22Å; T191-E194 WeakPolarHBondContact OG1-CG 3.19Å; T191-E194 PolarHBondContact OG1-N 3.26Å; T191-E194 PolarHBondContact OG1-OE2 2.94Å; E194-E196 VanDerWaalsContact C-N 3.35Å; E194-R198 PolarHBondContact O-N 3.13Å; E194-R198 VanDerWaalsContact O-N 3.12Å
195	K	80.6	Confident	75.9	Confident	91 Å²	91	109.4 Å²	109.4	40%	0.396	52%	0.52	S	S	.	.	H	α-helix	trans	-61.1	-46.2	171.7	-68.1	174	-166.6	157	0	110.4	Y190 T191 D192 I193 V197 R198 F199	Y190-K195 WeakPolarHBondContact O-CE 3.19Å; T191-K195 WeakPolarHBondContact O-CG 3.09Å; T191-K195 PolarHBondContact O-N 3.01Å; D192-K195 PolarHBondContact O-N 3.27Å; D192-K195 IonicContact OD1-NZ 3.37Å; D192-K195 PolarHBondContact OD1-NZ 3.1Å; I193-K195 VanDerWaalsContact C-N 3.31Å; I193-K195 PolarHBondContact O-N 3.16Å; K195-V197 PolarHBondContact O-N 2.69Å; K195-R198 WeakPolarHBondContact O-CB 3.23Å; K195-R198 PolarHBondContact O-N 3.32Å; K195-F199 WeakPolarHBondContact O-CD2 3.38Å; K195-F199 PolarHBondContact O-N 3.03Å
196	E	79.7	Confident	75.2	Confident	104 Å²	104	112.9 Å²	112.9	49%	0.486	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-42.3	-178.9	-164.1	177.4	163.7	0	0	112.3	D192 I193 E194 R198 F199 R200	D192-E196 WeakPolarHBondContact O-CB 3.49Å; D192-E196 PolarHBondContact O-N 3.03Å; I193-E196 PolarHBondContact O-N 3.15Å; I193-E196 VanDerWaalsContact O-N 3.14Å; E194-E196 VanDerWaalsContact C-N 3.35Å; E196-R198 VanDerWaalsContact C-N 3.29Å; E196-R198 PolarHBondContact O-N 2.98Å; E196-F199 PolarHBondContact O-N 3.35Å; E196-R200 PolarHBondContact O-N 2.66Å; E196-R200 IonicContact OE1-CZ 3.58Å; E196-R200 IonicContact OE1-NE 3.6Å; E196-R200 IonicContact OE1-NH2 3.76Å; E196-R200 PolarHBondContact OE1-NH2 2.69Å
197	V	77.4	Confident	74.2	Confident	102 Å²	102	118.5 Å²	118.5	62%	0.618	56%	0.561	S	S	*	*	H	α-helix	trans	-61.3	-38.4	175.4	174.6	0	0	0	0	111.4	I193 K195 F199 R200	I193-V197 WeakPolarHBondContact O-CG2 3.48Å; I193-V197 PolarHBondContact O-N 3.03Å; K195-V197 PolarHBondContact O-N 2.69Å; V197-F199 PolarHBondContact O-N 3.34Å; V197-R200 PolarHBondContact O-N 3.22Å
198	R	65.7	Low	73	Confident	168 Å²	168	121.5 Å²	121.5	63%	0.634	58%	0.575	S	S	*	*	H	α-helix	trans	-59.8	-32.9	177.2	-171.2	179.1	178.3	170.1	0.7	112.7	E194 K195 E196	E194-R198 PolarHBondContact O-N 3.13Å; E194-R198 VanDerWaalsContact O-N 3.12Å; K195-R198 WeakPolarHBondContact O-CB 3.23Å; K195-R198 PolarHBondContact O-N 3.32Å; E196-R198 VanDerWaalsContact C-N 3.29Å; E196-R198 PolarHBondContact O-N 2.98Å
199	F	53.4	Low	71.7	Confident	159 Å²	159	123.6 Å²	123.6	70%	0.697	59%	0.591	S	S	*	*	H	α-helix	trans	-90.1	-6.6	-177.9	-69.3	-68.9	0	0	0	114.7	K195 E196 V197 R201	K195-F199 WeakPolarHBondContact O-CD2 3.38Å; K195-F199 PolarHBondContact O-N 3.03Å; E196-F199 PolarHBondContact O-N 3.35Å; V197-F199 PolarHBondContact O-N 3.34Å; F199-R201 PolarHBondContact O-N 3.5Å
200	R	55.8	Low	70.7	Confident	189 Å²	189	130.8 Å²	130.8	71%	0.713	62%	0.622	S	S	*	*	S	Bend	trans	-82.1	14.2	-178.6	-75.9	-171.2	-177.3	-159.1	4.4	115.3	E196 V197	E196-R200 PolarHBondContact O-N 2.66Å; E196-R200 IonicContact OE1-CZ 3.58Å; E196-R200 IonicContact OE1-NE 3.6Å; E196-R200 IonicContact OE1-NH2 3.76Å; E196-R200 PolarHBondContact OE1-NH2 2.69Å; V197-R200 PolarHBondContact O-N 3.22Å
201	R	43.2	Very low	69.4	Low	234 Å²	234	135.5 Å²	135.5	88%	0.883	65%	0.649	S	S	*	*			trans	-121.7	84.7	168.2	-75.3	-171.1	175.7	-174.8	-0	110.5	F199	F199-R201 PolarHBondContact O-N 3.5Å
202	C	40.8	Very low	68.1	Low	201 Å²	201	141.5 Å²	141.5	100%	1.358	67%	0.669	S	S	*	*			trans	-137.8	0	155.4	-77	0	0	0	0	106.8

Retrieved 202 of 202 residues in 152.5 ms (Link to these results)

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