A0A077ZLA4_TRITR Loading...

UPF0047 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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	39	Very low	74.9	Confident	237 Å²	237	107.5 Å²	107.5	100%	1.167	62%	0.616	S	S	*	*				0	105.1	0	-160.1	177.7	171.8	0	0	106.1	V3	M1-V3 PolarHBondContact O-N 3.21Å
2	A	53.3	Low	76.8	Confident	102 Å²	102	104.4 Å²	104.4	84%	0.843	59%	0.59	S	S	*	*			trans	-69.3	114.9	175	0	0	0	0	0	106.8	A4	A2-A4 PolarHBondContact O-N 3.21Å
3	V	54.5	Low	78.4	Confident	130 Å²	130	104.3 Å²	104.3	79%	0.788	59%	0.585	S	S	*	*			trans	-59.6	122	167.8	-176.5	0	0	0	0	105.2	M1 Q5	M1-V3 PolarHBondContact O-N 3.21Å; V3-Q5 PolarHBondContact O-N 3.29Å
4	A	57.9	Low	79.7	Confident	94 Å²	94	97.8 Å²	97.8	78%	0.777	55%	0.548	S	S	*	.			trans	-56.4	109.2	171.7	0	0	0	0	0	106.9	A2 G6	A2-A4 PolarHBondContact O-N 3.21Å; A4-G6 PolarHBondContact O-N 2.9Å
5	Q	66.8	Low	80.8	Confident	112 Å²	112	96.5 Å²	96.5	52%	0.523	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-55.4	131.3	170.9	-80.1	-175.1	-29.5	0	0	107.2	V3 E162 T163	V3-Q5 PolarHBondContact O-N 3.29Å; Q5-E162 PolarHBondContact OE1-O 3.37Å; Q5-T163 PolarHBondContact NE2-OXT 3.02Å
6	G	82.1	Confident	81.6	Confident	53 Å²	53	90.7 Å²	90.7	55%	0.546	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-58.1	142.3	-174.1	0	0	0	0	0	111.7	A4 K8	A4-G6 PolarHBondContact O-N 2.9Å; G6-K8 PolarHBondContact O-N 2.79Å
7	C	86.8	Confident	82.1	Confident	75 Å²	75	93.7 Å²	93.7	51%	0.507	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	122.3	169.3	-178.4	0	0	0	0	109	Q159	C7-Q159 VanDerWaalsContact SG-CG 3.6Å
8	K	91.3	Very high	82.5	Confident	56 Å²	56	93.4 Å²	93.4	24%	0.243	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	137.4	177.5	-168.7	175.6	-165	162.4	0	110.3	G6 I10 I40 Q159 G160 E162	G6-K8 PolarHBondContact O-N 2.79Å; K8-I10 HydrophobicContact CD-CD1 3.92Å; K8-I10 HydrophobicContact CD-CG1 4.19Å; K8-I10 HydrophobicContact CG-CD1 4.27Å; K8-I10 HydrophobicContact CG-CG1 4Å; K8-I40 HydrophobicContact CB-CD1 4.43Å; K8-I40 HydrophobicContact CD-CD1 4.31Å; K8-Q159 WeakPolarHBondContact O-CA 3.19Å; K8-G160 PolarHBondContact N-O 3.47Å; K8-G160 PolarHBondContact O-N 3.4Å; K8-G160 VanDerWaalsContact O-N 3.12Å; K8-E162 HydrophobicContact CB-CG 4.38Å; K8-E162 HydrophobicContact CD-CG 4.01Å; K8-E162 WeakPolarHBondContact CD-OE1 3.09Å; K8-E162 WeakPolarHBondContact CE-OE1 3.18Å; K8-E162 IonicContact NZ-OE1 2.71Å; K8-E162 PolarHBondContact NZ-OE1 2.87Å
9	W	96.9	Very high	82.9	Confident	161 Å²	161	92.7 Å²	92.7	61%	0.61	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.3	172.2	-75	81.7	0	0	0	109.5	T157 I158 Q159	W9-T157 HydrophobicContact CE3-CG2 3.88Å; W9-T157 HydrophobicContact CZ3-CG2 3.92Å; W9-I158 WeakPolarHBondContact CA-O 3.25Å; W9-Q159 HydrophobicContact CD2-CB 4.21Å; W9-Q159 HydrophobicContact CD2-CG 4.02Å; W9-Q159 HydrophobicContact CE3-CB 4.16Å; W9-Q159 HydrophobicContact CE3-CG 4.39Å; W9-Q159 HydrophobicContact CH2-CB 4.3Å; W9-Q159 VanDerWaalsContact CH2-CD 3.46Å; W9-Q159 HydrophobicContact CH2-CG 4.1Å; W9-Q159 HydrophobicContact CZ2-CB 4.35Å; W9-Q159 HydrophobicContact CZ2-CG 3.69Å; W9-Q159 VanDerWaalsContact CZ2-NE2 3.26Å; W9-Q159 HydrophobicContact CZ3-CB 4.2Å; W9-Q159 HydrophobicContact CZ3-CG 4.43Å
10	I	96.7	Very high	83.4	Confident	26 Å²	26	91.6 Å²	91.6	13%	0.133	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.9	176.9	-49.7	176.1	0	0	0	107.2	K8 K12 E36 T157 I158	K8-I10 HydrophobicContact CD-CD1 3.92Å; K8-I10 HydrophobicContact CD-CG1 4.19Å; K8-I10 HydrophobicContact CG-CD1 4.27Å; K8-I10 HydrophobicContact CG-CG1 4Å; I10-K12 HydrophobicContact CG2-CD 4.36Å; I10-K12 HydrophobicContact CG2-CG 4.34Å; I10-E36 HydrophobicContact CD1-CB 3.46Å; I10-E36 VanDerWaalsContact CD1-CB 3.46Å; I10-E36 HydrophobicContact CD1-CG 3.92Å; I10-E36 HydrophobicContact CG2-CG 4.47Å; I10-T157 CarbonylContact O-C 3.39Å; I10-T157 VanDerWaalsContact O-CA 3.3Å; I10-T157 WeakPolarHBondContact O-CA 3.14Å; I10-I158 HydrophobicContact CB-CB 4.25Å; I10-I158 PolarHBondContact N-O 2.84Å; I10-I158 PolarHBondContact O-N 2.93Å
11	Q	98.2	Very high	84	Confident	137 Å²	137	89.5 Å²	89.5	64%	0.64	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.1	174	-173.7	171.6	84.6	0	0	110.2	V155 A156 T157	Q11-V155 HydrophobicContact CG-CG1 3.78Å; Q11-A156 CarbonylContact C-O 3.58Å; Q11-A156 VanDerWaalsContact CA-O 3.28Å; Q11-A156 WeakPolarHBondContact CA-O 3.44Å; Q11-T157 PolarHBondContact NE2-OG1 2.88Å
12	K	97.7	Very high	86.7	Confident	70 Å²	70	78.6 Å²	78.6	30%	0.304	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	148	179.6	-66.1	175.9	81.5	-178.4	0	110.2	I10 A33 L34 E36 A156	I10-K12 HydrophobicContact CG2-CD 4.36Å; I10-K12 HydrophobicContact CG2-CG 4.34Å; K12-A33 PolarHBondContact NZ-O 3.12Å; K12-L34 HydrophobicContact CB-CD2 4.39Å; K12-L34 HydrophobicContact CD-CD2 4.13Å; K12-E36 WeakPolarHBondContact CD-OE1 3.45Å; K12-E36 WeakPolarHBondContact CE-OE1 3.34Å; K12-E36 IonicContact NZ-OE1 2.65Å; K12-E36 PolarHBondContact NZ-OE1 3.44Å; K12-E36 IonicContact NZ-OE2 3.09Å; K12-E36 PolarHBondContact NZ-OE2 2.84Å; K12-A156 PolarHBondContact N-O 3.02Å; K12-A156 PolarHBondContact O-N 2.83Å
13	I	98	Very high	88.8	Confident	103 Å²	103	74.1 Å²	74.1	53%	0.528	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.7	169.6	-61.2	174.6	0	0	0	107.4	K153 I154 V155	I13-K153 HydrophobicContact CG2-CB 4.04Å; I13-K153 HydrophobicContact CG2-CD 4.14Å; I13-K153 HydrophobicContact CG2-CG 4.1Å; I13-I154 WeakPolarHBondContact CA-O 3.45Å; I13-V155 HydrophobicContact CG1-CG2 4.33Å
14	I	96.8	Very high	90.8	Very high	13 Å²	13	69.6 Å²	69.6	7%	0.067	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	118.8	175.8	-51.9	172.1	0	0	0	107.6	M16 I30 A33 L34 K153 I154 A156	I14-M16 HydrophobicContact CB-SD 4.42Å; I14-M16 HydrophobicContact CG2-SD 3.61Å; I14-I30 HydrophobicContact CD1-CD1 3.81Å; I14-I30 HydrophobicContact CD1-CG2 4.33Å; I14-I30 HydrophobicContact CG2-CD1 4.49Å; I14-A33 HydrophobicContact CB-CB 4.49Å; I14-A33 HydrophobicContact CD1-CB 3.87Å; I14-A33 HydrophobicContact CG1-CB 3.9Å; I14-A33 HydrophobicContact CG2-CB 3.8Å; I14-L34 HydrophobicContact CD1-CD1 4.15Å; I14-L34 HydrophobicContact CD1-CD2 4.25Å; I14-L34 HydrophobicContact CD1-CG 4.03Å; I14-K153 WeakPolarHBondContact O-CA 3.22Å; I14-I154 PolarHBondContact N-O 2.82Å; I14-I154 PolarHBondContact O-N 3.36Å; I14-A156 HydrophobicContact CD1-CB 3.84Å; I14-A156 HydrophobicContact CG1-CB 4.35Å
15	S	95.5	Very high	92.7	Very high	79 Å²	79	67.8 Å²	67.8	55%	0.552	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	111.3	172.7	-65.1	0	0	0	0	109.2
16	M	93.5	Very high	94.2	Very high	3 Å²	3	62.6 Å²	62.6	2%	0.015	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-83	149.5	-179.9	-51.8	-58.4	-69.7	0	0	110.8	I14 V26 E29 I30 L126 S151 R152 I154	I14-M16 HydrophobicContact CB-SD 4.42Å; I14-M16 HydrophobicContact CG2-SD 3.61Å; M16-V26 HydrophobicContact CE-CB 3.71Å; M16-V26 HydrophobicContact CE-CG1 3.78Å; M16-V26 HydrophobicContact CE-CG2 4.14Å; M16-E29 HydrophobicContact CE-CB 4.14Å; M16-E29 VanDerWaalsContact CE-CD 3.42Å; M16-E29 HydrophobicContact CE-CG 3.76Å; M16-E29 HydrophobicContact SD-CG 4.37Å; M16-I30 HydrophobicContact CE-CD1 4.11Å; M16-I30 HydrophobicContact SD-CD1 3.93Å; M16-L126 HydrophobicContact CB-CD2 4.23Å; M16-L126 HydrophobicContact CG-CD2 4.47Å; M16-S151 WeakPolarHBondContact O-CB 3.29Å; M16-R152 HydrophobicContact CB-CB 4.12Å; M16-R152 WeakPolarHBondContact CB-O 3.35Å; M16-R152 HydrophobicContact CG-CB 4.38Å; M16-R152 WeakPolarHBondContact CG-O 3.41Å; M16-R152 PolarHBondContact N-O 3.22Å; M16-I154 HydrophobicContact CE-CD1 4.37Å; M16-I154 HydrophobicContact CG-CD1 3.73Å; M16-I154 HydrophobicContact CG-CG1 4.12Å; M16-I154 HydrophobicContact SD-CD1 3.85Å
17	K	90.4	Very high	95	Very high	142 Å²	142	60.9 Å²	60.9	62%	0.617	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-60.9	144.8	169.3	-65.6	174.5	-175.7	173.4	0	110.6	E29	K17-E29 PolarHBondContact N-OE1 3Å
18	S	89.5	Confident	95.5	Very high	88 Å²	88	62.7 Å²	62.7	62%	0.615	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-62	141.1	169.2	-173.3	0	0	0	0	109.9
19	R	91	Very high	95.8	Very high	80 Å²	80	62.1 Å²	62.1	30%	0.302	32%	0.318	S	S	.	.			trans	-130.2	152.9	-179.7	-57.8	-65.8	-178.7	152.8	2.3	109.1	H24 E29 L126	R19-H24 WeakPolarHBondContact CB-NE2 3.24Å; R19-H24 HydrophobicContact CG-CB 4.49Å; R19-E29 IonicContact NH2-OE2 3.12Å; R19-E29 PolarHBondContact NH2-OE2 2.83Å; R19-L126 HydrophobicContact CG-CD2 4.39Å
20	A	92.7	Very high	95.9	Very high	70 Å²	70	54.4 Å²	54.4	58%	0.579	29%	0.289	S	S	*	.			trans	-66.5	165.6	163.9	0	0	0	0	0	109.8	H24	A20-H24 PolarHBondContact O-CE1 2.92Å; A20-H24 VanDerWaalsContact O-CE1 3.32Å; A20-H24 PolarHBondContact O-NE2 3.2Å
21	R	94.7	Very high	95.9	Very high	48 Å²	48	56.8 Å²	56.8	18%	0.181	30%	0.299	C	S	.	.	S	Bend	trans	-50.3	142.5	171.9	-178.1	174.9	-179.8	162	4.9	112.7	E71 N75 E80 K99 E128 N131	R21-E71 WeakPolarHBondContact CG-OE1 3.34Å; R21-E71 IonicContact CZ-OE1 2.78Å; R21-E71 IonicContact NE-OE1 2.81Å; R21-E71 PolarHBondContact NE-OE1 3.46Å; R21-E71 IonicContact NH2-OE1 3.16Å; R21-N75 PolarHBondContact NH2-OD1 3.37Å; R21-E80 IonicContact CZ-OE1 3.32Å; R21-E80 IonicContact NH1-OE1 2.6Å; R21-E80 PolarHBondContact NH1-OE1 3.48Å; R21-E80 IonicContact NH2-OE1 3.91Å; R21-E80 PolarHBondContact NH2-OE1 2.71Å; R21-K99 VanDerWaalsContact NH2-NZ 3.14Å; R21-E128 CarbonylContact C-O 3.49Å; R21-E128 VanDerWaalsContact CA-O 3.32Å; R21-E128 WeakPolarHBondContact CA-O 3.4Å; R21-E128 WeakPolarHBondContact CG-O 3.45Å; R21-N131 WeakPolarHBondContact CD-OD1 3.49Å; R21-N131 PolarHBondContact NH1-OD1 3.42Å
22	G	96.2	Very high	95.9	Very high	8 Å²	8	56.5 Å²	56.5	8%	0.082	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	129.1	-175.3	175.2	0	0	0	0	0	113.2	H24 E128	G22-H24 PolarHBondContact O-CD2 2.79Å; G22-H24 PolarHBondContact O-NE2 2.82Å; G22-E128 PolarHBondContact N-O 2.87Å; G22-E128 PolarHBondContact O-N 3.33Å
23	C	97.6	Very high	95.9	Very high	9 Å²	9	54.5 Å²	54.5	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	123.5	178.1	-64.1	0	0	0	0	110.9	R67 W125	C23-R67 HydrophobicContact CB-CB 3.94Å; C23-R67 HydrophobicContact CB-CG 3.98Å; C23-R67 WeakPolarHBondContact O-CD 3.39Å; C23-W125 HydrophobicContact CB-CD2 4.32Å; C23-W125 HydrophobicContact CB-CE3 3.69Å; C23-W125 HydrophobicContact CB-CZ3 4.02Å
24	H	97.1	Very high	95.9	Very high	35 Å²	35	49.7 Å²	49.7	16%	0.162	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.3	-174.8	-56.4	-81.5	0	0	0	110.8	R19 A20 G22 V26 W125 L126	R19-H24 WeakPolarHBondContact CB-NE2 3.24Å; R19-H24 HydrophobicContact CG-CB 4.49Å; A20-H24 PolarHBondContact O-CE1 2.92Å; A20-H24 VanDerWaalsContact O-CE1 3.32Å; A20-H24 PolarHBondContact O-NE2 3.2Å; G22-H24 PolarHBondContact O-CD2 2.79Å; G22-H24 PolarHBondContact O-NE2 2.82Å; H24-V26 HydrophobicContact CB-CG1 4.34Å; H24-V26 PolarHBondContact O-N 3.17Å; H24-W125 CarbonylContact O-C 3.5Å; H24-W125 WeakPolarHBondContact O-CA 3.42Å; H24-L126 PolarHBondContact CD2-O 3Å; H24-L126 PolarHBondContact N-O 3.24Å; H24-L126 PolarHBondContact O-N 2.95Å
25	L	98	Very high	95.9	Very high	56 Å²	56	52.4 Å²	52.4	29%	0.293	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121	172.1	-174.5	67.9	0	0	0	109.2	N61	L25-N61 HydrophobicContact CD1-CB 4.08Å; L25-N61 HydrophobicContact CD2-CB 4.37Å
26	V	97.9	Very high	95.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.018	28%	0.275	C	S	.	.			trans	-127.9	11.1	-174.7	-64.5	0	0	0	0	113.2	M16 H24 D28 E29 I30 I124 L126	M16-V26 HydrophobicContact CE-CB 3.71Å; M16-V26 HydrophobicContact CE-CG1 3.78Å; M16-V26 HydrophobicContact CE-CG2 4.14Å; H24-V26 HydrophobicContact CB-CG1 4.34Å; H24-V26 PolarHBondContact O-N 3.17Å; V26-D28 PolarHBondContact O-N 2.82Å; V26-E29 HydrophobicContact CB-CB 4.42Å; V26-E29 WeakPolarHBondContact O-CB 3.33Å; V26-E29 PolarHBondContact O-N 2.81Å; V26-I30 HydrophobicContact CG2-CG1 4.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.3Å; V26-I30 PolarHBondContact O-N 2.94Å; V26-I124 HydrophobicContact CG2-CB 4.4Å; V26-I124 HydrophobicContact CG2-CG2 3.94Å; V26-I124 WeakPolarHBondContact CG2-O 3.46Å; V26-I124 PolarHBondContact N-O 3.12Å; V26-L126 HydrophobicContact CG1-CB 3.8Å; V26-L126 HydrophobicContact CG2-CB 4.01Å
27	T	98.2	Very high	96.1	Very high	16 Å²	16	50.7 Å²	50.7	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-48.5	-54.3	-179.8	-48.4	0	0	0	0	112	E29 I30 E31 L118 G123 I124	T27-E29 VanDerWaalsContact C-N 3.3Å; T27-E29 PolarHBondContact O-N 2.98Å; T27-I30 PolarHBondContact O-N 2.8Å; T27-I30 VanDerWaalsContact O-N 3.14Å; T27-E31 HydrophobicContact CG2-CG 4.4Å; T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 3.25Å; T27-L118 HydrophobicContact CG2-CD1 4.48Å; T27-G123 VanDerWaalsContact OG1-CA 3.32Å; T27-G123 WeakPolarHBondContact OG1-CA 3.49Å; T27-I124 PolarHBondContact N-O 2.66Å; T27-I124 PolarHBondContact OG1-N 2.87Å
28	D	97.8	Very high	96.4	Very high	113 Å²	113	53.6 Å²	53.6	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-62.9	-35.9	-178.7	-58.2	-15	0	0	0	112.4	V26 I30 N32	V26-D28 PolarHBondContact O-N 2.82Å; D28-I30 VanDerWaalsContact C-N 3.33Å; D28-N32 WeakPolarHBondContact O-CB 3.06Å; D28-N32 PolarHBondContact O-N 3.05Å; D28-N32 PolarHBondContact O-ND2 3.27Å
29	E	97.6	Very high	96.7	Very high	44 Å²	44	53.4 Å²	53.4	21%	0.206	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-39.6	178.2	-169.4	169.4	172.7	0	0	110.5	M16 K17 R19 V26 T27 A33	M16-E29 HydrophobicContact CE-CB 4.14Å; M16-E29 VanDerWaalsContact CE-CD 3.42Å; M16-E29 HydrophobicContact CE-CG 3.76Å; M16-E29 HydrophobicContact SD-CG 4.37Å; K17-E29 PolarHBondContact N-OE1 3Å; R19-E29 IonicContact NH2-OE2 3.12Å; R19-E29 PolarHBondContact NH2-OE2 2.83Å; V26-E29 HydrophobicContact CB-CB 4.42Å; V26-E29 WeakPolarHBondContact O-CB 3.33Å; V26-E29 PolarHBondContact O-N 2.81Å; T27-E29 VanDerWaalsContact C-N 3.3Å; T27-E29 PolarHBondContact O-N 2.98Å; E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 3.04Å
30	I	98.1	Very high	96.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.7	-48.3	175.6	-61.7	-62.8	0	0	0	111.5	I14 M16 V26 T27 D28 N32 A33 L34 L45 L47 I124 I154	I14-I30 HydrophobicContact CD1-CD1 3.81Å; I14-I30 HydrophobicContact CD1-CG2 4.33Å; I14-I30 HydrophobicContact CG2-CD1 4.49Å; M16-I30 HydrophobicContact CE-CD1 4.11Å; M16-I30 HydrophobicContact SD-CD1 3.93Å; V26-I30 HydrophobicContact CG2-CG1 4.28Å; V26-I30 WeakPolarHBondContact O-CG1 3.3Å; V26-I30 PolarHBondContact O-N 2.94Å; T27-I30 PolarHBondContact O-N 2.8Å; T27-I30 VanDerWaalsContact O-N 3.14Å; D28-I30 VanDerWaalsContact C-N 3.33Å; I30-N32 PolarHBondContact O-N 2.87Å; I30-A33 PolarHBondContact O-N 2.79Å; I30-L34 HydrophobicContact CG2-CD1 3.87Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 3.04Å; I30-L45 HydrophobicContact CG2-CD2 4.34Å; I30-L47 HydrophobicContact CG2-CD1 4.22Å; I30-L47 HydrophobicContact CG2-CD2 4.33Å; I30-I124 HydrophobicContact CB-CD1 4.35Å; I30-I124 HydrophobicContact CG1-CD1 4.49Å; I30-I124 HydrophobicContact CG2-CD1 4.17Å; I30-I154 HydrophobicContact CD1-CD1 3.94Å
31	E	97.9	Very high	97.1	Very high	75 Å²	75	48 Å²	48	35%	0.35	24%	0.242	S	C	.	.	H	α-helix	trans	-63.4	-41.2	-179.1	-70.6	-169.3	147.2	0	0	112	T27 A33 L34 L116	T27-E31 HydrophobicContact CG2-CG 4.4Å; T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 3.25Å; E31-A33 VanDerWaalsContact C-N 3.27Å; E31-A33 PolarHBondContact O-N 3.03Å; E31-L34 CarbonylContact O-C 3.52Å; E31-L34 PolarHBondContact O-N 3.15Å; E31-L34 VanDerWaalsContact O-N 3.1Å; E31-L116 HydrophobicContact CG-CD1 3.99Å
32	N	98	Very high	97.2	Very high	131 Å²	131	51.1 Å²	51.1	70%	0.701	26%	0.261	S	S	*	.	H	α-helix	trans	-66	-29.6	176.7	-73.8	-44.3	0	0	0	112.7	D28 I30 L34	D28-N32 WeakPolarHBondContact O-CB 3.06Å; D28-N32 PolarHBondContact O-N 3.05Å; D28-N32 PolarHBondContact O-ND2 3.27Å; I30-N32 PolarHBondContact O-N 2.87Å; N32-L34 VanDerWaalsContact C-N 3.27Å
33	A	97.6	Very high	97.3	Very high	29 Å²	29	51.7 Å²	51.7	24%	0.24	27%	0.267	C	S	.	.	H	α-helix	trans	-77	-14.6	175.4	0	0	0	0	0	113.3	K12 I14 E29 I30 E31 P35	K12-A33 PolarHBondContact NZ-O 3.12Å; I14-A33 HydrophobicContact CB-CB 4.49Å; I14-A33 HydrophobicContact CD1-CB 3.87Å; I14-A33 HydrophobicContact CG1-CB 3.9Å; I14-A33 HydrophobicContact CG2-CB 3.8Å; E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 3.04Å; I30-A33 PolarHBondContact O-N 2.79Å; E31-A33 VanDerWaalsContact C-N 3.27Å; E31-A33 PolarHBondContact O-N 3.03Å; A33-P35 WeakPolarHBondContact O-CD 3.49Å
34	L	97.6	Very high	97.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.276	C	S	.	.			trans	-124	58.4	-174.3	-60.7	175.5	0	0	0	112.5	K12 I14 I30 E31 N32 E36 L37 L45 A156 I158	K12-L34 HydrophobicContact CB-CD2 4.39Å; K12-L34 HydrophobicContact CD-CD2 4.13Å; I14-L34 HydrophobicContact CD1-CD1 4.15Å; I14-L34 HydrophobicContact CD1-CD2 4.25Å; I14-L34 HydrophobicContact CD1-CG 4.03Å; I30-L34 HydrophobicContact CG2-CD1 3.87Å; I30-L34 WeakPolarHBondContact O-CG 3.44Å; I30-L34 PolarHBondContact O-N 3.04Å; E31-L34 CarbonylContact O-C 3.52Å; E31-L34 PolarHBondContact O-N 3.15Å; E31-L34 VanDerWaalsContact O-N 3.1Å; N32-L34 VanDerWaalsContact C-N 3.27Å; L34-E36 WeakPolarHBondContact CA-OE2 3.19Å; L34-E36 PolarHBondContact O-N 3.25Å; L34-L37 HydrophobicContact CB-CD1 3.84Å; L34-L37 HydrophobicContact CB-CG 3.91Å; L34-L37 HydrophobicContact CD1-CD1 4.46Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 VanDerWaalsContact O-CG 3.3Å; L34-L37 WeakPolarHBondContact O-CG 3.28Å; L34-L37 PolarHBondContact O-N 2.81Å; L34-L45 HydrophobicContact CD1-CD1 3.72Å; L34-L45 HydrophobicContact CD1-CD2 3.98Å; L34-A156 HydrophobicContact CD1-CB 3.87Å; L34-A156 HydrophobicContact CD2-CB 3.87Å; L34-A156 HydrophobicContact CG-CB 4.42Å; L34-I158 HydrophobicContact CB-CD1 4.37Å; L34-I158 HydrophobicContact CD1-CD1 4.46Å; L34-I158 HydrophobicContact CD2-CD1 4.26Å
35	P	97.7	Very high	97.4	Very high	69 Å²	69	51.4 Å²	51.4	45%	0.448	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-58.2	-21.7	175.9	26.7	-36.4	0	0	0	113.3	A33 L37 R38	A33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-L37 PolarHBondContact O-N 2.79Å; P35-R38 PolarHBondContact O-N 3.38Å
36	E	96	Very high	97.4	Very high	39 Å²	39	52.2 Å²	52.2	18%	0.182	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64	-19.6	176.8	-55.5	88	164.9	0	0	113.2	I10 K12 L34 R38 Q39	I10-E36 HydrophobicContact CD1-CB 3.46Å; I10-E36 VanDerWaalsContact CD1-CB 3.46Å; I10-E36 HydrophobicContact CD1-CG 3.92Å; I10-E36 HydrophobicContact CG2-CG 4.47Å; K12-E36 WeakPolarHBondContact CD-OE1 3.45Å; K12-E36 WeakPolarHBondContact CE-OE1 3.34Å; K12-E36 IonicContact NZ-OE1 2.65Å; K12-E36 PolarHBondContact NZ-OE1 3.44Å; K12-E36 IonicContact NZ-OE2 3.09Å; K12-E36 PolarHBondContact NZ-OE2 2.84Å; L34-E36 WeakPolarHBondContact CA-OE2 3.19Å; L34-E36 PolarHBondContact O-N 3.25Å; E36-R38 PolarHBondContact O-N 2.76Å; E36-R38 VanDerWaalsContact O-N 3.15Å; E36-Q39 WeakPolarHBondContact O-CB 3.47Å; E36-Q39 PolarHBondContact O-N 2.98Å
37	L	96.8	Very high	97.4	Very high	8 Å²	8	52 Å²	52	4%	0.042	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-50.1	-40.2	172.6	-74.2	170.2	0	0	0	111.2	L34 P35 Q39 I40 I111 G114 L116 I158	L34-L37 HydrophobicContact CB-CD1 3.84Å; L34-L37 HydrophobicContact CB-CG 3.91Å; L34-L37 HydrophobicContact CD1-CD1 4.46Å; L34-L37 WeakPolarHBondContact O-CB 3.32Å; L34-L37 VanDerWaalsContact O-CG 3.3Å; L34-L37 WeakPolarHBondContact O-CG 3.28Å; L34-L37 PolarHBondContact O-N 2.81Å; P35-L37 PolarHBondContact O-N 2.79Å; L37-Q39 PolarHBondContact O-N 2.87Å; L37-I40 WeakPolarHBondContact O-CB 3.4Å; L37-I40 PolarHBondContact O-N 3.37Å; L37-I111 HydrophobicContact CD2-CD1 3.56Å; L37-I111 HydrophobicContact CD2-CG1 4.02Å; L37-G114 CarbonylContact C-O 3.56Å; L37-G114 WeakPolarHBondContact O-CA 3.3Å; L37-L116 HydrophobicContact CD1-CD2 4.06Å; L37-L116 HydrophobicContact CD1-CG 4.29Å; L37-L116 HydrophobicContact CD2-CD2 3.95Å; L37-I158 HydrophobicContact CD2-CD1 3.72Å; L37-I158 HydrophobicContact CD2-CG1 4.13Å; L37-I158 HydrophobicContact CG-CD1 4Å
38	R	96.4	Very high	97.5	Very high	202 Å²	202	53.2 Å²	53.2	76%	0.762	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-60.3	-19.5	-177.9	-62.9	-177.4	-176.6	178.2	2.2	114.4	P35 E36	P35-R38 PolarHBondContact O-N 3.38Å; E36-R38 PolarHBondContact O-N 2.76Å; E36-R38 VanDerWaalsContact O-N 3.15Å
39	Q	95	Very high	97.4	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-89.5	-9.3	-179.2	-59.5	171.1	14.6	0	0	112.3	E36 L37 E162 T163	E36-Q39 WeakPolarHBondContact O-CB 3.47Å; E36-Q39 PolarHBondContact O-N 2.98Å; L37-Q39 PolarHBondContact O-N 2.87Å; Q39-E162 VanDerWaalsContact O-CA 3.24Å; Q39-E162 WeakPolarHBondContact O-CA 3.43Å; Q39-T163 PolarHBondContact O-N 2.86Å
40	I	96.6	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	118	-174.5	-55.4	-58.7	0	0	0	110	K8 L37 I111 G114 I158 S161	K8-I40 HydrophobicContact CB-CD1 4.43Å; K8-I40 HydrophobicContact CD-CD1 4.31Å; L37-I40 WeakPolarHBondContact O-CB 3.4Å; L37-I40 PolarHBondContact O-N 3.37Å; I40-I111 HydrophobicContact CB-CG2 4Å; I40-I111 HydrophobicContact CG2-CB 4.22Å; I40-I111 HydrophobicContact CG2-CD1 4.28Å; I40-I111 HydrophobicContact CG2-CG2 3.84Å; I40-G114 VanDerWaalsContact O-CA 3.32Å; I40-G114 WeakPolarHBondContact O-CA 3.39Å; I40-G114 PolarHBondContact O-N 3.39Å; I40-I158 HydrophobicContact CD1-CG2 4.01Å; I40-I158 HydrophobicContact CG1-CG2 3.67Å; I40-S161 CarbonylContact C-O 3.59Å; I40-S161 WeakPolarHBondContact CA-O 3.48Å
41	S	96	Very high	97.1	Very high	36 Å²	36	52.5 Å²	52.5	25%	0.252	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	-49.8	176.6	-174.9	0	0	0	0	111.4	T112 N113 S161 E162	S41-T112 CarbonylContact O-C 3.41Å; S41-T112 WeakPolarHBondContact O-CA 3.42Å; S41-N113 PolarHBondContact O-N 3.09Å; S41-S161 PolarHBondContact N-O 2.6Å; S41-E162 WeakPolarHBondContact CB-O 3.48Å
42	I	97.2	Very high	96.9	Very high	114 Å²	114	53.6 Å²	53.6	59%	0.585	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.6	174.4	-179	169.2	0	0	0	109.1	G160 S161	I42-G160 CarbonylContact O-C 3.45Å; I42-G160 WeakPolarHBondContact O-CA 3.42Å; I42-S161 WeakPolarHBondContact CG2-OG 3.49Å; I42-S161 PolarHBondContact O-N 3.36Å
43	G	97.4	Very high	96.7	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	-162.8	-178.3	0	0	0	0	0	113.9	I111 Q159	G43-I111 PolarHBondContact N-O 3.46Å; G43-I111 VanDerWaalsContact N-O 3.17Å; G43-I111 PolarHBondContact O-N 3.05Å; G43-Q159 CarbonylContact C-O 3.57Å; G43-Q159 WeakPolarHBondContact CA-O 3.34Å
44	V	98.4	Very high	96.7	Very high	39 Å²	39	46.2 Å²	46.2	24%	0.236	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138	178.9	68.6	0	0	0	0	110	C108 I109 I158 Q159	V44-C108 WeakPolarHBondContact CG2-SG 3.12Å; V44-I109 CarbonylContact C-O 3.58Å; V44-I109 WeakPolarHBondContact CA-O 3.49Å; V44-I158 WeakPolarHBondContact O-CA 3.31Å; V44-Q159 HydrophobicContact CG1-CB 4.09Å; V44-Q159 PolarHBondContact N-O 3.23Å; V44-Q159 PolarHBondContact O-N 2.99Å
45	L	98.6	Very high	96.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.9	166.3	173.8	62.8	0	0	0	108.1	I30 L34 L47 I109 I111 L116 A156 I158	I30-L45 HydrophobicContact CG2-CD2 4.34Å; L34-L45 HydrophobicContact CD1-CD1 3.72Å; L34-L45 HydrophobicContact CD1-CD2 3.98Å; L45-L47 HydrophobicContact CD1-CD2 3.74Å; L45-L47 HydrophobicContact CD1-CG 4.39Å; L45-L47 HydrophobicContact CD2-CD1 4.27Å; L45-L47 HydrophobicContact CD2-CD2 3.95Å; L45-L47 HydrophobicContact CD2-CG 4.13Å; L45-L47 HydrophobicContact CG-CD2 3.84Å; L45-L47 HydrophobicContact CG-CG 3.99Å; L45-I109 HydrophobicContact CB-CB 4.47Å; L45-I109 PolarHBondContact N-O 3.4Å; L45-I109 PolarHBondContact O-N 2.85Å; L45-I111 HydrophobicContact CB-CD1 4.07Å; L45-I111 HydrophobicContact CB-CG1 4.24Å; L45-L116 HydrophobicContact CB-CD2 4.11Å; L45-L116 HydrophobicContact CD2-CD1 4.3Å; L45-L116 HydrophobicContact CD2-CD2 3.6Å; L45-A156 HydrophobicContact CD1-CB 4.12Å; L45-I158 HydrophobicContact CD1-CG1 3.7Å
46	H	98.7	Very high	96.7	Very high	72 Å²	72	42.9 Å²	42.9	33%	0.333	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	126.3	167.6	179.2	-97	0	0	0	109.8	L107 A156 T157	H46-L107 CarbonylContact C-O 3.58Å; H46-L107 WeakPolarHBondContact CA-O 3.13Å; H46-A156 CarbonylContact O-C 3.52Å; H46-A156 WeakPolarHBondContact O-CA 3.46Å; H46-T157 PolarHBondContact N-O 3.14Å; H46-T157 PolarHBondContact O-N 3.43Å
47	L	98.7	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.6	175.1	-59.7	178.4	0	0	0	108.9	I30 L45 I56 T106 L107 I109 I124 I154 V155 A156	I30-L47 HydrophobicContact CG2-CD1 4.22Å; I30-L47 HydrophobicContact CG2-CD2 4.33Å; L45-L47 HydrophobicContact CD1-CD2 3.74Å; L45-L47 HydrophobicContact CD1-CG 4.39Å; L45-L47 HydrophobicContact CD2-CD1 4.27Å; L45-L47 HydrophobicContact CD2-CD2 3.95Å; L45-L47 HydrophobicContact CD2-CG 4.13Å; L45-L47 HydrophobicContact CG-CD2 3.84Å; L45-L47 HydrophobicContact CG-CG 3.99Å; L47-I56 HydrophobicContact CB-CD1 3.68Å; L47-I56 HydrophobicContact CD1-CD1 3.65Å; L47-I56 HydrophobicContact CG-CD1 4.3Å; L47-T106 CarbonylContact O-C 3.56Å; L47-T106 WeakPolarHBondContact O-CA 3.35Å; L47-L107 HydrophobicContact CB-CB 4.34Å; L47-L107 PolarHBondContact N-O 2.86Å; L47-L107 PolarHBondContact O-N 2.91Å; L47-I109 HydrophobicContact CD1-CD1 4.32Å; L47-I124 HydrophobicContact CD1-CD1 3.96Å; L47-I124 HydrophobicContact CD1-CG2 4.25Å; L47-I154 HydrophobicContact CB-CG2 4.01Å; L47-I154 HydrophobicContact CD2-CG2 4.01Å; L47-V155 WeakPolarHBondContact CA-O 3.32Å; L47-A156 HydrophobicContact CD2-CB 3.64Å
48	C	98.5	Very high	96.9	Very high	41 Å²	41	44 Å²	44	28%	0.277	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.9	173.7	178.4	0	0	0	0	109.8	A105 T106 I154 V155	C48-A105 WeakPolarHBondContact CA-O 3.39Å; C48-T106 HydrophobicContact CB-CG2 4.06Å; C48-I154 CarbonylContact O-C 3.6Å; C48-I154 WeakPolarHBondContact O-CA 3.41Å; C48-V155 HydrophobicContact CB-CB 4.49Å; C48-V155 PolarHBondContact N-O 2.86Å; C48-V155 PolarHBondContact O-N 2.82Å
49	I	97.2	Very high	96.9	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	125.4	174.1	-167.3	173.1	0	0	0	109.7	H51 A54 I56 A105 L126 I154	I49-H51 HydrophobicContact CD1-CB 4.33Å; I49-H51 HydrophobicContact CG1-CB 4.09Å; I49-H51 PolarHBondContact O-N 2.92Å; I49-A54 HydrophobicContact CD1-CB 3.76Å; I49-I56 HydrophobicContact CB-CG2 4.45Å; I49-I56 HydrophobicContact CG2-CB 4.5Å; I49-I56 HydrophobicContact CG2-CG2 4.23Å; I49-A105 HydrophobicContact CG2-CB 3.88Å; I49-A105 WeakPolarHBondContact CG2-O 3.37Å; I49-A105 PolarHBondContact N-O 3.44Å; I49-L126 HydrophobicContact CD1-CD1 3.35Å; I49-I154 HydrophobicContact CB-CG1 4.27Å; I49-I154 HydrophobicContact CG1-CG1 4.15Å
50	Q	95.5	Very high	97	Very high	108 Å²	108	35.6 Å²	35.6	51%	0.505	20%	0.198	S	C	.	.			trans	-85.6	56.9	178.1	-61.8	-171	-60.3	0	0	110.7	K153 V155	Q50-K153 HydrophobicContact CB-CB 4.33Å; Q50-K153 PolarHBondContact N-O 2.84Å; Q50-V155 VanDerWaalsContact CD-CG2 3.49Å; Q50-V155 HydrophobicContact CG-CG2 3.79Å
51	H	92.6	Very high	97	Very high	29 Å²	29	38 Å²	38	13%	0.134	21%	0.211	C	C	.	.			trans	-151	138.4	179.8	-152.1	-105.5	0	0	0	110.8	I49 S53 A54 R152	I49-H51 HydrophobicContact CD1-CB 4.33Å; I49-H51 HydrophobicContact CG1-CB 4.09Å; I49-H51 PolarHBondContact O-N 2.92Å; H51-S53 PolarHBondContact CE1-OG 3Å; H51-S53 PolarHBondContact ND1-N 2.82Å; H51-S53 PolarHBondContact ND1-OG 2.81Å; H51-A54 HydrophobicContact CB-CB 4.13Å; H51-A54 PolarHBondContact ND1-N 3.01Å; H51-R152 VanDerWaalsContact CE1-CZ 3.48Å; H51-R152 PolarHBondContact NE2-NH1 3.43Å
52	T	94.1	Very high	97	Very high	98 Å²	98	45.6 Å²	45.6	60%	0.601	23%	0.234	S	C	*	.	S	Bend	trans	-93.6	-8.4	-176.8	47.3	0	0	0	0	113.6	H97 S100	T52-H97 WeakPolarHBondContact O-CA 3.31Å; T52-H97 PolarHBondContact O-ND1 3.46Å; T52-H97 PolarHBondContact OG1-CE1 3.29Å; T52-H97 VanDerWaalsContact OG1-CE1 3.28Å; T52-S100 WeakPolarHBondContact O-CB 3.43Å
53	S	94.6	Very high	97	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.028	23%	0.225	C	C	.	.	S	Bend	trans	-124.5	15.6	-178.3	85.7	0	0	0	0	112.1	H51 H129 R130	H51-S53 PolarHBondContact CE1-OG 3Å; H51-S53 PolarHBondContact ND1-N 2.82Å; H51-S53 PolarHBondContact ND1-OG 2.81Å; S53-H129 WeakPolarHBondContact O-CB 3.27Å; S53-H129 PolarHBondContact O-CD2 3.3Å; S53-R130 VanDerWaalsContact OG-CG 3.31Å; S53-R130 WeakPolarHBondContact OG-CG 3.47Å
54	A	96.2	Very high	96.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.7	171.2	0	0	0	0	0	107.7	I49 H51 S100 C127	I49-A54 HydrophobicContact CD1-CB 3.76Å; H51-A54 HydrophobicContact CB-CB 4.13Å; H51-A54 PolarHBondContact ND1-N 3.01Å; A54-S100 WeakPolarHBondContact O-CB 3.27Å; A54-S100 PolarHBondContact O-OG 2.78Å; A54-C127 WeakPolarHBondContact CA-O 3.41Å; A54-C127 WeakPolarHBondContact CB-O 3.46Å
55	S	97.9	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	165.6	179.1	48.4	0	0	0	0	111.5	V103 G104 C127 H129	S55-V103 WeakPolarHBondContact OG-CB 3.35Å; S55-V103 WeakPolarHBondContact OG-CG1 3.49Å; S55-G104 WeakPolarHBondContact CA-O 3.5Å; S55-G104 WeakPolarHBondContact CB-O 3.18Å; S55-C127 PolarHBondContact N-O 2.92Å; S55-C127 PolarHBondContact O-N 3.18Å; S55-C127 VanDerWaalsContact OG-CB 3.28Å; S55-C127 WeakPolarHBondContact OG-CB 3.3Å; S55-H129 PolarHBondContact OG-CE1 3.46Å; S55-H129 PolarHBondContact OG-NE2 3.24Å
56	I	98.2	Very high	96.8	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.7	173.2	-167.5	179.1	0	0	0	108.1	L47 I49 G104 A105 L107 I124 W125 I154	L47-I56 HydrophobicContact CB-CD1 3.68Å; L47-I56 HydrophobicContact CD1-CD1 3.65Å; L47-I56 HydrophobicContact CG-CD1 4.3Å; I49-I56 HydrophobicContact CB-CG2 4.45Å; I49-I56 HydrophobicContact CG2-CB 4.5Å; I49-I56 HydrophobicContact CG2-CG2 4.23Å; I56-G104 PolarHBondContact N-O 3.13Å; I56-A105 VanDerWaalsContact CG2-C 3.46Å; I56-A105 WeakPolarHBondContact CG2-O 3.49Å; I56-L107 HydrophobicContact CD1-CD1 3.99Å; I56-L107 HydrophobicContact CD1-CG 4.4Å; I56-L107 HydrophobicContact CG1-CD1 3.71Å; I56-L107 HydrophobicContact CG1-CG 4.15Å; I56-L107 HydrophobicContact CG2-CG 4.16Å; I56-I124 HydrophobicContact CD1-CG2 3.97Å; I56-I124 HydrophobicContact CG1-CG2 3.98Å; I56-W125 WeakPolarHBondContact CA-O 3.36Å; I56-W125 WeakPolarHBondContact CG1-O 3.36Å; I56-I154 HydrophobicContact CD1-CD1 4.09Å; I56-I154 HydrophobicContact CD1-CG2 4.45Å
57	S	98.2	Very high	96.8	Very high	24 Å²	24	47.9 Å²	47.9	17%	0.168	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.6	-174	-171	0	0	0	0	111.3	W125	S57-W125 PolarHBondContact N-O 3.01Å; S57-W125 PolarHBondContact O-N 2.85Å
58	L	97.9	Very high	96.7	Very high	47 Å²	47	52.5 Å²	52.5	25%	0.246	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.7	173.2	-170.1	77.5	0	0	0	108.4	L107 I109 L118 Q122 G123 I124	L58-L107 HydrophobicContact CB-CD1 4.29Å; L58-L107 HydrophobicContact CB-CD2 4.09Å; L58-I109 HydrophobicContact CD1-CD1 4.32Å; L58-L118 HydrophobicContact CD1-CD1 4.4Å; L58-L118 HydrophobicContact CD1-CD2 3.6Å; L58-L118 HydrophobicContact CD2-CD2 3.89Å; L58-L118 HydrophobicContact CG-CD2 4.35Å; L58-Q122 HydrophobicContact CD1-CB 4.44Å; L58-Q122 HydrophobicContact CD2-CB 4.39Å; L58-Q122 HydrophobicContact CD2-CG 4.41Å; L58-Q122 HydrophobicContact CG-CB 4.26Å; L58-G123 WeakPolarHBondContact CA-O 3.4Å; L58-G123 WeakPolarHBondContact CD1-O 3.4Å; L58-I124 HydrophobicContact CD1-CG1 3.99Å
59	N	97.6	Very high	96.7	Very high	65 Å²	65	54.8 Å²	54.8	35%	0.348	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	-167.4	-173.2	-149.1	-40.2	0	0	0	111.3	Q122 G123 W125	N59-Q122 CarbonylContact O-C 3.4Å; N59-Q122 WeakPolarHBondContact O-CA 3.33Å; N59-G123 PolarHBondContact N-O 3.14Å; N59-G123 PolarHBondContact O-N 3.37Å; N59-W125 HydrophobicContact CB-CD2 3.83Å; N59-W125 HydrophobicContact CB-CE3 3.93Å; N59-W125 HydrophobicContact CB-CH2 3.74Å; N59-W125 HydrophobicContact CB-CZ2 3.63Å; N59-W125 HydrophobicContact CB-CZ3 3.88Å
60	E	97.5	Very high	96.8	Very high	45 Å²	45	56.4 Å²	56.4	21%	0.21	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.4	133	-174.1	-177.6	56	-104.7	0	0	113.9	W62 D63 V66 W121 W125	E60-W62 WeakPolarHBondContact OE1-CB 3.49Å; E60-W62 PolarHBondContact OE1-N 3.37Å; E60-D63 HydrophobicContact CG-CB 4.3Å; E60-V66 HydrophobicContact CB-CB 4.07Å; E60-V66 HydrophobicContact CB-CG1 4Å; E60-V66 HydrophobicContact CB-CG2 4.18Å; E60-V66 HydrophobicContact CG-CB 4.23Å; E60-V66 HydrophobicContact CG-CG2 3.91Å; E60-W121 CarbonylContact C-O 3.57Å; E60-W121 WeakPolarHBondContact CA-O 3.39Å; E60-W125 HydrophobicContact CB-CZ2 4.1Å; E60-W125 VanDerWaalsContact O-CE2 3.25Å; E60-W125 WeakPolarHBondContact O-CZ2 3.34Å; E60-W125 PolarHBondContact O-NE1 2.81Å
61	N	96.9	Very high	96.9	Very high	50 Å²	50	52.3 Å²	52.3	27%	0.267	28%	0.279	S	S	.	.	S	Bend	trans	-107.9	-12.5	-178.6	73.4	11.1	0	0	0	114	L25 T120 W121 Q122	L25-N61 HydrophobicContact CD1-CB 4.08Å; L25-N61 HydrophobicContact CD2-CB 4.37Å; N61-T120 PolarHBondContact ND2-O 2.94Å; N61-T120 VanDerWaalsContact ND2-O 3.08Å; N61-W121 PolarHBondContact N-O 2.72Å; N61-W121 WeakPolarHBondContact OD1-CA 3.47Å; N61-Q122 PolarHBondContact ND2-O 2.87Å
62	W	96	Very high	97.1	Very high	195 Å²	195	55.5 Å²	55.5	74%	0.739	30%	0.295	S	S	*	.	S	Bend	trans	-102.2	-58.6	-173.6	-179.3	-118.2	0	0	0	112.9	E60 S64 W121	E60-W62 WeakPolarHBondContact OE1-CB 3.49Å; E60-W62 PolarHBondContact OE1-N 3.37Å; W62-S64 PolarHBondContact O-N 3.1Å; W62-W121 HydrophobicContact CB-CE3 3.51Å; W62-W121 HydrophobicContact CB-CZ3 3.48Å; W62-W121 VanDerWaalsContact CB-CZ3 3.48Å; W62-W121 AromaticContact CD1-CZ3 3.82Å; W62-W121 HydrophobicContact CD2-CZ3 4.19Å; W62-W121 HydrophobicContact CG-CE3 4.09Å; W62-W121 HydrophobicContact CG-CH2 4.44Å; W62-W121 AromaticContact CG-CZ3 3.54Å; W62-W121 HydrophobicContact CG-CZ3 3.54Å
63	D	96.3	Very high	97.3	Very high	72 Å²	72	55.1 Å²	55.1	39%	0.385	29%	0.288	S	S	.	.			trans	-83.4	115.4	-177	-171.5	-6.6	0	0	0	111.1	E60 S65 V66	E60-D63 HydrophobicContact CG-CB 4.3Å; D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.42Å; D63-S65 PolarHBondContact OD1-N 2.84Å; D63-S65 PolarHBondContact OD1-OG 3.34Å; D63-S65 PolarHBondContact OD2-OG 2.89Å; D63-V66 HydrophobicContact CB-CG2 4.09Å
64	S	95.2	Very high	97.5	Very high	71 Å²	71	55.6 Å²	55.6	50%	0.497	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-21.6	177.2	59.3	0	0	0	0	113.3	W62 V66 R67 V68	W62-S64 PolarHBondContact O-N 3.1Å; S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.27Å; S64-R67 WeakPolarHBondContact O-CB 3.49Å; S64-R67 PolarHBondContact O-N 2.94Å; S64-V68 PolarHBondContact O-N 3.46Å
65	S	97.7	Very high	97.6	Very high	48 Å²	48	58 Å²	58	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-61.8	-35.1	177.8	75.1	0	0	0	0	111.7	D63 R67 V68 D69	D63-S65 VanDerWaalsContact C-N 3.25Å; D63-S65 PolarHBondContact O-N 2.89Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.42Å; D63-S65 PolarHBondContact OD1-N 2.84Å; D63-S65 PolarHBondContact OD1-OG 3.34Å; D63-S65 PolarHBondContact OD2-OG 2.89Å; S65-R67 PolarHBondContact O-N 2.77Å; S65-V68 WeakPolarHBondContact O-CA 3.42Å; S65-V68 WeakPolarHBondContact O-CB 3.19Å; S65-V68 PolarHBondContact O-N 3.27Å; S65-D69 PolarHBondContact O-N 3.3Å
66	V	98.1	Very high	97.6	Very high	45 Å²	45	64.7 Å²	64.7	27%	0.273	33%	0.334	S	S	.	.	H	α-helix	trans	-60.7	-35.4	177.9	-171.6	0	0	0	0	111.5	E60 D63 S64 T70 W125	E60-V66 HydrophobicContact CB-CB 4.07Å; E60-V66 HydrophobicContact CB-CG1 4Å; E60-V66 HydrophobicContact CB-CG2 4.18Å; E60-V66 HydrophobicContact CG-CB 4.23Å; E60-V66 HydrophobicContact CG-CG2 3.91Å; D63-V66 HydrophobicContact CB-CG2 4.09Å; S64-V66 VanDerWaalsContact C-N 3.26Å; S64-V66 PolarHBondContact O-N 3.27Å; V66-T70 VanDerWaalsContact O-CB 3.24Å; V66-T70 WeakPolarHBondContact O-CB 3.42Å; V66-T70 PolarHBondContact O-N 2.95Å; V66-T70 PolarHBondContact O-OG1 2.91Å; V66-W125 HydrophobicContact CB-CH2 4.46Å; V66-W125 HydrophobicContact CG1-CH2 3.98Å
67	R	97.5	Very high	97.5	Very high	57 Å²	57	70 Å²	70	22%	0.215	36%	0.361	C	S	.	.	H	α-helix	trans	-69.3	-36.7	175.2	-73.5	177	-79.4	162.4	-10.7	112.2	C23 S64 S65 E71 W125	C23-R67 HydrophobicContact CB-CB 3.94Å; C23-R67 HydrophobicContact CB-CG 3.98Å; C23-R67 WeakPolarHBondContact O-CD 3.39Å; S64-R67 WeakPolarHBondContact O-CB 3.49Å; S64-R67 PolarHBondContact O-N 2.94Å; S65-R67 PolarHBondContact O-N 2.77Å; R67-E71 PolarHBondContact O-N 3.29Å; R67-W125 HydrophobicContact CB-CH2 4.37Å; R67-W125 HydrophobicContact CG-CD2 4.05Å; R67-W125 HydrophobicContact CG-CE3 4.24Å; R67-W125 HydrophobicContact CG-CH2 3.54Å; R67-W125 HydrophobicContact CG-CZ2 3.3Å; R67-W125 HydrophobicContact CG-CZ3 4.01Å
68	V	97.6	Very high	97.5	Very high	98 Å²	98	69 Å²	69	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-69.3	-47.5	176.9	178.3	0	0	0	0	110.4	S64 S65 T70 E71 M72	S64-V68 PolarHBondContact O-N 3.46Å; S65-V68 WeakPolarHBondContact O-CA 3.42Å; S65-V68 WeakPolarHBondContact O-CB 3.19Å; S65-V68 PolarHBondContact O-N 3.27Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.06Å; V68-E71 PolarHBondContact O-N 3.18Å; V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 PolarHBondContact O-N 2.84Å
69	D	98.4	Very high	97.5	Very high	89 Å²	89	68.5 Å²	68.5	48%	0.476	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-34.9	179.7	-73.8	-11.8	0	0	0	112	S65 M72 M73	S65-D69 PolarHBondContact O-N 3.3Å; D69-M72 HydrophobicContact CB-CE 4.42Å; D69-M72 PolarHBondContact O-N 2.94Å; D69-M73 VanDerWaalsContact O-CB 3.31Å; D69-M73 WeakPolarHBondContact O-CB 3.47Å; D69-M73 PolarHBondContact O-N 2.74Å
70	T	98.3	Very high	97.4	Very high	38 Å²	38	68.1 Å²	68.1	23%	0.233	35%	0.35	C	S	.	.	H	α-helix	trans	-62.5	-46.3	173.1	-60.6	0	0	0	0	110.9	V66 V68 M73 L74 W125	V66-T70 VanDerWaalsContact O-CB 3.24Å; V66-T70 WeakPolarHBondContact O-CB 3.42Å; V66-T70 PolarHBondContact O-N 2.95Å; V66-T70 PolarHBondContact O-OG1 2.91Å; V68-T70 VanDerWaalsContact C-N 3.34Å; V68-T70 PolarHBondContact O-N 3.06Å; T70-M73 PolarHBondContact O-N 2.93Å; T70-L74 HydrophobicContact CG2-CD1 4.08Å; T70-L74 HydrophobicContact CG2-CG 4.39Å; T70-L74 WeakPolarHBondContact O-CB 3.48Å; T70-L74 VanDerWaalsContact O-CG 3.3Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 2.76Å; T70-W125 HydrophobicContact CG2-CZ3 4.1Å
71	E	97.7	Very high	97.1	Very high	22 Å²	22	72.9 Å²	72.9	10%	0.103	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-45	176.5	175.6	57.3	-156.6	0	0	111.5	R21 R67 V68 M73 L74 N75	R21-E71 WeakPolarHBondContact CG-OE1 3.34Å; R21-E71 IonicContact CZ-OE1 2.78Å; R21-E71 IonicContact NE-OE1 2.81Å; R21-E71 PolarHBondContact NE-OE1 3.46Å; R21-E71 IonicContact NH2-OE1 3.16Å; R67-E71 PolarHBondContact O-N 3.29Å; V68-E71 PolarHBondContact O-N 3.18Å; E71-M73 VanDerWaalsContact C-N 3.33Å; E71-M73 PolarHBondContact O-N 2.94Å; E71-L74 PolarHBondContact O-N 2.88Å; E71-N75 PolarHBondContact O-N 2.86Å; E71-N75 PolarHBondContact O-ND2 2.99Å; E71-N75 VanDerWaalsContact O-ND2 3.14Å; E71-N75 PolarHBondContact OE1-ND2 3.18Å; E71-N75 PolarHBondContact OE1-OD1 2.89Å
72	M	97.7	Very high	97	Very high	97 Å²	97	75.3 Å²	75.3	48%	0.478	39%	0.388	S	S	.	.	H	α-helix	trans	-56.5	-46.9	174.6	174.8	-80.4	-62.7	0	0	111.4	V68 D69 N75 H76	V68-M72 WeakPolarHBondContact O-CB 3.41Å; V68-M72 PolarHBondContact O-N 2.84Å; D69-M72 HydrophobicContact CB-CE 4.42Å; D69-M72 PolarHBondContact O-N 2.94Å; M72-N75 WeakPolarHBondContact O-CB 3.4Å; M72-N75 PolarHBondContact O-N 2.75Å; M72-H76 PolarHBondContact O-N 3.03Å
73	M	98.5	Very high	97	Very high	89 Å²	89	72.1 Å²	72.1	44%	0.438	39%	0.392	S	S	.	.	H	α-helix	trans	-67	-40.5	179.7	-173.3	61.8	61.2	0	0	112.2	D69 T70 E71 N75 H76 L77	D69-M73 VanDerWaalsContact O-CB 3.31Å; D69-M73 WeakPolarHBondContact O-CB 3.47Å; D69-M73 PolarHBondContact O-N 2.74Å; T70-M73 PolarHBondContact O-N 2.93Å; E71-M73 VanDerWaalsContact C-N 3.33Å; E71-M73 PolarHBondContact O-N 2.94Å; M73-N75 VanDerWaalsContact C-N 3.26Å; M73-N75 PolarHBondContact O-N 2.98Å; M73-H76 WeakPolarHBondContact O-CB 3.48Å; M73-H76 PolarHBondContact O-N 2.81Å; M73-H76 VanDerWaalsContact O-N 3.12Å; M73-L77 HydrophobicContact CG-CD1 4.02Å; M73-L77 HydrophobicContact CG-CG 4.32Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 3.42Å; M73-L77 HydrophobicContact SD-CG 4.36Å
74	L	98.2	Very high	96.9	Very high	14 Å²	14	71.5 Å²	71.5	7%	0.073	39%	0.385	C	S	.	.	H	α-helix	trans	-60.8	-37	174.4	-74.1	171.4	0	0	0	111.7	T70 E71 H76 V78 K99 V103	T70-L74 HydrophobicContact CG2-CD1 4.08Å; T70-L74 HydrophobicContact CG2-CG 4.39Å; T70-L74 WeakPolarHBondContact O-CB 3.48Å; T70-L74 VanDerWaalsContact O-CG 3.3Å; T70-L74 WeakPolarHBondContact O-CG 3.43Å; T70-L74 PolarHBondContact O-N 2.76Å; E71-L74 PolarHBondContact O-N 2.88Å; L74-H76 VanDerWaalsContact C-N 3.34Å; L74-V78 PolarHBondContact O-N 2.85Å; L74-K99 HydrophobicContact CB-CD 4.27Å; L74-K99 HydrophobicContact CB-CG 4.45Å; L74-K99 HydrophobicContact CD2-CG 4.49Å; L74-K99 WeakPolarHBondContact O-CE 3.02Å; L74-V103 HydrophobicContact CD1-CG2 4.34Å; L74-V103 HydrophobicContact CD2-CG2 3.96Å
75	N	97.3	Very high	97	Very high	51 Å²	51	80.2 Å²	80.2	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-69.7	-31.9	175.3	-66.9	-26.2	0	0	0	112.8	R21 E71 M72 M73 V78 P79 K99	R21-N75 PolarHBondContact NH2-OD1 3.37Å; E71-N75 PolarHBondContact O-N 2.86Å; E71-N75 PolarHBondContact O-ND2 2.99Å; E71-N75 VanDerWaalsContact O-ND2 3.14Å; E71-N75 PolarHBondContact OE1-ND2 3.18Å; E71-N75 PolarHBondContact OE1-OD1 2.89Å; M72-N75 WeakPolarHBondContact O-CB 3.4Å; M72-N75 PolarHBondContact O-N 2.75Å; M73-N75 VanDerWaalsContact C-N 3.26Å; M73-N75 PolarHBondContact O-N 2.98Å; N75-V78 CarbonylContact O-C 3.55Å; N75-P79 WeakPolarHBondContact O-CA 3.33Å; N75-K99 PolarHBondContact OD1-NZ 3.45Å
76	H	97.9	Very high	96.6	Very high	141 Å²	141	80.8 Å²	80.8	65%	0.653	40%	0.404	S	S	*	.	H	α-helix	trans	-72.3	-43.7	173.4	-173.6	71.3	0	0	0	112.6	M72 M73 L74	M72-H76 PolarHBondContact O-N 3.03Å; M73-H76 WeakPolarHBondContact O-CB 3.48Å; M73-H76 PolarHBondContact O-N 2.81Å; M73-H76 VanDerWaalsContact O-N 3.12Å; L74-H76 VanDerWaalsContact C-N 3.34Å
77	L	98	Very high	96.1	Very high	112 Å²	112	83 Å²	83	59%	0.586	42%	0.422	S	S	*	.	H	α-helix	trans	-71.8	-32.8	-179.3	-69	173.5	0	0	0	112.9	M73	M73-L77 HydrophobicContact CG-CD1 4.02Å; M73-L77 HydrophobicContact CG-CG 4.32Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 3.42Å; M73-L77 HydrophobicContact SD-CG 4.36Å
78	V	97.7	Very high	95.6	Very high	4 Å²	4	83.6 Å²	83.6	2%	0.024	43%	0.434	C	S	.	.	S	Bend	trans	-131.1	79.2	179.7	-170.5	0	0	0	0	109.1	L74 N75 Y84 P95 V98 K99 L102	L74-V78 PolarHBondContact O-N 2.85Å; N75-V78 CarbonylContact O-C 3.55Å; V78-Y84 WeakPolarHBondContact CG1-OH 3.32Å; V78-P95 HydrophobicContact CG1-CB 3.82Å; V78-V98 HydrophobicContact CB-CG1 4.49Å; V78-V98 HydrophobicContact CG1-CB 3.71Å; V78-V98 HydrophobicContact CG1-CG1 3.84Å; V78-V98 HydrophobicContact CG1-CG2 4.39Å; V78-V98 HydrophobicContact CG2-CB 4.37Å; V78-V98 HydrophobicContact CG2-CG1 3.74Å; V78-K99 HydrophobicContact CB-CD 4.49Å; V78-K99 HydrophobicContact CB-CG 3.87Å; V78-K99 HydrophobicContact CG1-CG 4.22Å; V78-K99 HydrophobicContact CG2-CG 3.97Å; V78-K99 VanDerWaalsContact O-CE 3.27Å; V78-K99 WeakPolarHBondContact O-CE 3.38Å; V78-L102 HydrophobicContact CG2-CD1 3.61Å
79	P	96.7	Very high	95	Very high	36 Å²	36	80.2 Å²	80.2	23%	0.234	41%	0.411	C	S	.	.			trans	-66.1	155.8	177.9	-18	31.8	0	0	0	111.7	N75 D81 M82 Y84	N75-P79 WeakPolarHBondContact O-CA 3.33Å; P79-D81 WeakPolarHBondContact CB-OD1 3.33Å; P79-M82 HydrophobicContact CB-CG 4.13Å; P79-M82 HydrophobicContact CG-CG 4.27Å; P79-Y84 VanDerWaalsContact O-CE2 3.22Å; P79-Y84 WeakPolarHBondContact O-CE2 3.21Å; P79-Y84 PolarHBondContact O-OH 3.31Å
80	E	95.4	Very high	94.5	Very high	57 Å²	57	76.9 Å²	76.9	27%	0.266	40%	0.398	S	S	.	.	S	Bend	trans	-80.7	-25.8	177.3	-63.1	-177.6	-169.2	0	0	113.3	R21 M82 P91 P95	R21-E80 IonicContact CZ-OE1 3.32Å; R21-E80 IonicContact NH1-OE1 2.6Å; R21-E80 PolarHBondContact NH1-OE1 3.48Å; R21-E80 IonicContact NH2-OE1 3.91Å; R21-E80 PolarHBondContact NH2-OE1 2.71Å; E80-M82 VanDerWaalsContact C-N 3.29Å; E80-M82 PolarHBondContact O-N 2.83Å; E80-P91 HydrophobicContact CB-CB 4.45Å; E80-P95 HydrophobicContact CB-CG 4.27Å; E80-P95 HydrophobicContact CG-CB 4.46Å; E80-P95 HydrophobicContact CG-CG 4.03Å
81	D	92.5	Very high	94.2	Very high	144 Å²	144	79.3 Å²	79.3	77%	0.77	41%	0.414	S	S	*	.	S	Bend	trans	-93.3	26.5	-173.2	63	-28.3	0	0	0	113.3	P79	P79-D81 WeakPolarHBondContact CB-OD1 3.33Å
82	M	94.8	Very high	94	Very high	102 Å²	102	78.7 Å²	78.7	50%	0.502	41%	0.412	S	S	.	.	S	Bend	trans	-86.7	155.8	172.2	-70.8	-75.9	-79.7	0	0	110.8	P79 E80 Y84	P79-M82 HydrophobicContact CB-CG 4.13Å; P79-M82 HydrophobicContact CG-CG 4.27Å; E80-M82 VanDerWaalsContact C-N 3.29Å; E80-M82 PolarHBondContact O-N 2.83Å; M82-Y84 HydrophobicContact CB-CD2 4Å; M82-Y84 HydrophobicContact CB-CE1 4.14Å; M82-Y84 HydrophobicContact CB-CE2 3.52Å; M82-Y84 HydrophobicContact CG-CE2 4.4Å; M82-Y84 WeakPolarHBondContact O-CD2 3.28Å; M82-Y84 PolarHBondContact O-N 3.06Å
83	P	95.1	Very high	93.8	Very high	127 Å²	127	74.3 Å²	74.3	83%	0.825	39%	0.39	S	S	*	.			trans	-75.3	58.8	-179	32.7	-37.2	0	0	0	112.3
84	Y	95.4	Very high	93.7	Very high	60 Å²	60	72.4 Å²	72.4	24%	0.235	38%	0.381	C	S	.	.			trans	-66.9	139.2	176.4	-62.1	-64.3	0	0	0	111.2	V78 P79 M82 M94 P95	V78-Y84 WeakPolarHBondContact CG1-OH 3.32Å; P79-Y84 VanDerWaalsContact O-CE2 3.22Å; P79-Y84 WeakPolarHBondContact O-CE2 3.21Å; P79-Y84 PolarHBondContact O-OH 3.31Å; M82-Y84 HydrophobicContact CB-CD2 4Å; M82-Y84 HydrophobicContact CB-CE1 4.14Å; M82-Y84 HydrophobicContact CB-CE2 3.52Å; M82-Y84 HydrophobicContact CG-CE2 4.4Å; M82-Y84 WeakPolarHBondContact O-CD2 3.28Å; M82-Y84 PolarHBondContact O-N 3.06Å; Y84-M94 HydrophobicContact CD1-CB 4.37Å; Y84-M94 HydrophobicContact CD1-CG 3.56Å; Y84-M94 HydrophobicContact CD2-CB 4.2Å; Y84-M94 HydrophobicContact CD2-CG 4.27Å; Y84-M94 HydrophobicContact CE1-CG 4.21Å; Y84-M94 HydrophobicContact CG-CB 3.96Å; Y84-M94 HydrophobicContact CG-CG 3.61Å; Y84-P95 HydrophobicContact CD2-CG 4.33Å; Y84-P95 HydrophobicContact CE2-CG 3.65Å
85	R	95.6	Very high	93.6	Very high	253 Å²	253	71.8 Å²	71.8	96%	0.955	38%	0.378	S	S	*	.	S	Bend	trans	-71.9	-33.8	174	-67.8	-177.7	178.5	177.9	-0.7	112.6	S87	R85-S87 PolarHBondContact O-N 3.32Å
86	H	91.1	Very high	93.5	Very high	61 Å²	61	69.4 Å²	69.4	28%	0.282	37%	0.365	S	S	.	.			trans	-85.2	106.7	175	-176.5	66.8	0	0	0	108.5	D93 M94	H86-D93 IonicContact CD2-OD2 3.22Å; H86-D93 PolarHBondContact CD2-OD2 2.73Å; H86-D93 IonicContact CE1-OD2 3.57Å; H86-D93 IonicContact NE2-OD2 3.19Å; H86-D93 PolarHBondContact NE2-OD2 2.99Å; H86-M94 HydrophobicContact CB-CB 4.19Å; H86-M94 HydrophobicContact CB-CG 4.15Å; H86-M94 HydrophobicContact CB-SD 3.6Å; H86-M94 WeakPolarHBondContact O-CB 3.28Å
87	S	87.4	Confident	93.4	Very high	92 Å²	92	65.1 Å²	65.1	64%	0.643	35%	0.345	S	S	*	.			trans	-140.6	9.1	-171.7	57.5	0	0	0	0	113.6	R85	R85-S87 PolarHBondContact O-N 3.32Å
88	C	86.6	Confident	93.4	Very high	68 Å²	68	61.9 Å²	61.9	46%	0.459	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-16.5	-172.9	55.6	0	0	0	0	114.8	C138	C88-C138 WeakPolarHBondContact O-CB 3.44Å
89	E	85.7	Confident	93.5	Very high	28 Å²	28	61.8 Å²	61.8	13%	0.131	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	21.2	-172	-63.4	-176.2	-152.2	0	0	113	D93 R130 K144 I148	E89-D93 HydrophobicContact CB-CB 3.93Å; E89-R130 PolarHBondContact O-NH2 3.25Å; E89-K144 IonicContact OE1-NZ 3.25Å; E89-I148 VanDerWaalsContact OE2-CD1 3.22Å; E89-I148 WeakPolarHBondContact OE2-CD1 3.46Å
90	G	87.8	Confident	93.5	Very high	19 Å²	19	60.5 Å²	60.5	20%	0.196	32%	0.321	C	S	.	.			trans	101.2	159.6	-179	0	0	0	0	0	113.5	D92 D93	G90-D92 PolarHBondContact O-N 3.28Å; G90-D93 WeakPolarHBondContact O-CB 3.49Å; G90-D93 PolarHBondContact O-N 2.92Å
91	P	92	Very high	93.6	Very high	88 Å²	88	61.8 Å²	61.8	57%	0.571	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.5	-174.1	26.6	-35	0	0	0	113.2	E80 P95	E80-P91 HydrophobicContact CB-CB 4.45Å; P91-P95 WeakPolarHBondContact O-CD 3.4Å; P91-P95 VanDerWaalsContact O-CG 3.29Å; P91-P95 WeakPolarHBondContact O-CG 3.35Å
92	D	92.7	Very high	93.9	Very high	10 Å²	10	60.3 Å²	60.3	5%	0.053	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	0.4	-179.2	57.4	-30.7	0	0	0	113.7	G90 A96 R130 N131	G90-D92 PolarHBondContact O-N 3.28Å; D92-A96 WeakPolarHBondContact O-CB 3.38Å; D92-A96 PolarHBondContact O-N 2.78Å; D92-R130 PolarHBondContact O-NH1 3.24Å; D92-R130 IonicContact OD1-CZ 3.79Å; D92-R130 IonicContact OD1-NH1 2.99Å; D92-R130 PolarHBondContact OD1-NH1 3.18Å; D92-R130 IonicContact OD2-NH1 3.98Å; D92-R130 PolarHBondContact OD2-NH1 3.41Å; D92-R130 VanDerWaalsContact OD2-NH1 3.09Å; D92-N131 WeakPolarHBondContact OD2-CB 3.37Å; D92-N131 PolarHBondContact OD2-N 3.19Å; D92-N131 PolarHBondContact OD2-ND2 3.4Å
93	D	92.9	Very high	94.1	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-81	-57.5	-172.3	-167.7	66.2	0	0	0	112.9	H86 E89 G90 A96 H97 R130	H86-D93 IonicContact CD2-OD2 3.22Å; H86-D93 PolarHBondContact CD2-OD2 2.73Å; H86-D93 IonicContact CE1-OD2 3.57Å; H86-D93 IonicContact NE2-OD2 3.19Å; H86-D93 PolarHBondContact NE2-OD2 2.99Å; E89-D93 HydrophobicContact CB-CB 3.93Å; G90-D93 WeakPolarHBondContact O-CB 3.49Å; G90-D93 PolarHBondContact O-N 2.92Å; D93-A96 WeakPolarHBondContact O-CB 3.47Å; D93-A96 PolarHBondContact O-N 3.05Å; D93-A96 VanDerWaalsContact O-N 3.13Å; D93-H97 PolarHBondContact O-CD2 3.45Å; D93-H97 VanDerWaalsContact O-CD2 3.25Å; D93-H97 PolarHBondContact O-N 3.36Å; D93-H97 IonicContact OD2-CD2 3.75Å; D93-H97 IonicContact OD2-NE2 2.76Å; D93-R130 IonicContact OD1-CZ 2.89Å; D93-R130 IonicContact OD1-NE 2.65Å; D93-R130 PolarHBondContact OD1-NE 2.91Å; D93-R130 VanDerWaalsContact OD1-NE 3.12Å; D93-R130 IonicContact OD1-NH1 2.73Å; D93-R130 IonicContact OD1-NH2 3.86Å; D93-R130 PolarHBondContact OD1-NH2 3.42Å
94	M	96	Very high	94.2	Very high	50 Å²	50	52.7 Å²	52.7	25%	0.246	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-45.6	176	-172.9	65.5	-136.7	0	0	112.8	Y84 H86 A96 H97 V98	Y84-M94 HydrophobicContact CD1-CB 4.37Å; Y84-M94 HydrophobicContact CD1-CG 3.56Å; Y84-M94 HydrophobicContact CD2-CB 4.2Å; Y84-M94 HydrophobicContact CD2-CG 4.27Å; Y84-M94 HydrophobicContact CE1-CG 4.21Å; Y84-M94 HydrophobicContact CG-CB 3.96Å; Y84-M94 HydrophobicContact CG-CG 3.61Å; H86-M94 HydrophobicContact CB-CB 4.19Å; H86-M94 HydrophobicContact CB-CG 4.15Å; H86-M94 HydrophobicContact CB-SD 3.6Å; H86-M94 WeakPolarHBondContact O-CB 3.28Å; M94-A96 VanDerWaalsContact C-N 3.25Å; M94-A96 PolarHBondContact O-N 3.25Å; M94-H97 HydrophobicContact CE-CB 4.24Å; M94-H97 WeakPolarHBondContact O-CB 3.47Å; M94-H97 PolarHBondContact O-N 2.78Å; M94-H97 VanDerWaalsContact O-N 3.16Å; M94-V98 HydrophobicContact CE-CG2 3.58Å; M94-V98 PolarHBondContact O-N 3.38Å; M94-V98 VanDerWaalsContact O-N 3.16Å
95	P	96.6	Very high	94.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-55.8	-39.8	173.5	-26.1	34.1	0	0	0	113.1	V78 E80 Y84 P91 H97 V98 K99	V78-P95 HydrophobicContact CG1-CB 3.82Å; E80-P95 HydrophobicContact CB-CG 4.27Å; E80-P95 HydrophobicContact CG-CB 4.46Å; E80-P95 HydrophobicContact CG-CG 4.03Å; Y84-P95 HydrophobicContact CD2-CG 4.33Å; Y84-P95 HydrophobicContact CE2-CG 3.65Å; P91-P95 WeakPolarHBondContact O-CD 3.4Å; P91-P95 VanDerWaalsContact O-CG 3.29Å; P91-P95 WeakPolarHBondContact O-CG 3.35Å; P95-H97 VanDerWaalsContact C-N 3.3Å; P95-H97 PolarHBondContact O-N 3.27Å; P95-V98 PolarHBondContact O-N 2.86Å; P95-K99 WeakPolarHBondContact O-CB 3.41Å; P95-K99 VanDerWaalsContact O-CG 3.28Å; P95-K99 WeakPolarHBondContact O-CG 3.22Å; P95-K99 PolarHBondContact O-N 2.84Å
96	A	96.3	Very high	94.4	Very high	0 Å²	0	43 Å²	43	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-35.5	179.6	0	0	0	0	0	112.4	D92 D93 M94 S100 H129 R130	D92-A96 WeakPolarHBondContact O-CB 3.38Å; D92-A96 PolarHBondContact O-N 2.78Å; D93-A96 WeakPolarHBondContact O-CB 3.47Å; D93-A96 PolarHBondContact O-N 3.05Å; D93-A96 VanDerWaalsContact O-N 3.13Å; M94-A96 VanDerWaalsContact C-N 3.25Å; M94-A96 PolarHBondContact O-N 3.25Å; A96-S100 VanDerWaalsContact O-CB 3.28Å; A96-S100 WeakPolarHBondContact O-CB 3.41Å; A96-S100 PolarHBondContact O-N 2.93Å; A96-H129 HydrophobicContact CB-CB 3.49Å; A96-H129 VanDerWaalsContact CB-CB 3.49Å; A96-R130 HydrophobicContact CB-CG 4.06Å
97	H	96.3	Very high	94.8	Very high	52 Å²	52	41.3 Å²	41.3	24%	0.241	27%	0.266	C	S	.	.	H	α-helix	trans	-63.8	-44.3	170.9	-69.2	-60	0	0	0	112.6	T52 D93 M94 P95 S100 A101	T52-H97 WeakPolarHBondContact O-CA 3.31Å; T52-H97 PolarHBondContact O-ND1 3.46Å; T52-H97 PolarHBondContact OG1-CE1 3.29Å; T52-H97 VanDerWaalsContact OG1-CE1 3.28Å; D93-H97 PolarHBondContact O-CD2 3.45Å; D93-H97 VanDerWaalsContact O-CD2 3.25Å; D93-H97 PolarHBondContact O-N 3.36Å; D93-H97 IonicContact OD2-CD2 3.75Å; D93-H97 IonicContact OD2-NE2 2.76Å; M94-H97 HydrophobicContact CE-CB 4.24Å; M94-H97 WeakPolarHBondContact O-CB 3.47Å; M94-H97 PolarHBondContact O-N 2.78Å; M94-H97 VanDerWaalsContact O-N 3.16Å; P95-H97 VanDerWaalsContact C-N 3.3Å; P95-H97 PolarHBondContact O-N 3.27Å; H97-S100 PolarHBondContact O-N 3.42Å; H97-A101 WeakPolarHBondContact O-CB 3.47Å; H97-A101 PolarHBondContact O-N 3.16Å
98	V	98	Very high	95.3	Very high	44 Å²	44	41.4 Å²	41.4	27%	0.267	27%	0.265	S	S	.	.	H	α-helix	trans	-64.7	-45.9	177.9	-179.8	0	0	0	0	110.7	V78 M94 P95 S100 A101 L102	V78-V98 HydrophobicContact CB-CG1 4.49Å; V78-V98 HydrophobicContact CG1-CB 3.71Å; V78-V98 HydrophobicContact CG1-CG1 3.84Å; V78-V98 HydrophobicContact CG1-CG2 4.39Å; V78-V98 HydrophobicContact CG2-CB 4.37Å; V78-V98 HydrophobicContact CG2-CG1 3.74Å; M94-V98 HydrophobicContact CE-CG2 3.58Å; M94-V98 PolarHBondContact O-N 3.38Å; M94-V98 VanDerWaalsContact O-N 3.16Å; P95-V98 PolarHBondContact O-N 2.86Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 3.08Å; V98-A101 PolarHBondContact O-N 3.16Å; V98-L102 HydrophobicContact CG1-CD1 4.08Å; V98-L102 HydrophobicContact CG1-CG 4.37Å; V98-L102 WeakPolarHBondContact O-CG 3.41Å; V98-L102 PolarHBondContact O-N 3.17Å
99	K	98.3	Very high	95.9	Very high	1 Å²	1	38.3 Å²	38.3	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-42.2	176.9	-68.1	169.2	-168.8	175.9	0	111.8	R21 L74 N75 V78 P95 A101 L102 V103 H129	R21-K99 VanDerWaalsContact NH2-NZ 3.14Å; L74-K99 HydrophobicContact CB-CD 4.27Å; L74-K99 HydrophobicContact CB-CG 4.45Å; L74-K99 HydrophobicContact CD2-CG 4.49Å; L74-K99 WeakPolarHBondContact O-CE 3.02Å; N75-K99 PolarHBondContact OD1-NZ 3.45Å; V78-K99 HydrophobicContact CB-CD 4.49Å; V78-K99 HydrophobicContact CB-CG 3.87Å; V78-K99 HydrophobicContact CG1-CG 4.22Å; V78-K99 HydrophobicContact CG2-CG 3.97Å; V78-K99 VanDerWaalsContact O-CE 3.27Å; V78-K99 WeakPolarHBondContact O-CE 3.38Å; P95-K99 WeakPolarHBondContact O-CB 3.41Å; P95-K99 VanDerWaalsContact O-CG 3.28Å; P95-K99 WeakPolarHBondContact O-CG 3.22Å; P95-K99 PolarHBondContact O-N 2.84Å; K99-A101 VanDerWaalsContact C-N 3.33Å; K99-A101 PolarHBondContact O-N 3.31Å; K99-L102 PolarHBondContact O-N 3.41Å; K99-V103 WeakPolarHBondContact O-CB 3.2Å; K99-V103 WeakPolarHBondContact O-CG2 3.28Å; K99-V103 PolarHBondContact O-N 3.17Å; K99-H129 HydrophobicContact CB-CB 4.47Å; K99-H129 HydrophobicContact CD-CB 4.22Å
100	S	97.7	Very high	96.5	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.063	26%	0.26	C	S	.	.	H	α-helix	trans	-60.1	-43.1	174.7	179.4	0	0	0	0	111.7	T52 A54 A96 H97 V98 G104	T52-S100 WeakPolarHBondContact O-CB 3.43Å; A54-S100 WeakPolarHBondContact O-CB 3.27Å; A54-S100 PolarHBondContact O-OG 2.78Å; A96-S100 VanDerWaalsContact O-CB 3.28Å; A96-S100 WeakPolarHBondContact O-CB 3.41Å; A96-S100 PolarHBondContact O-N 2.93Å; H97-S100 PolarHBondContact O-N 3.42Å; V98-S100 VanDerWaalsContact C-N 3.34Å; V98-S100 PolarHBondContact O-N 3.08Å; S100-G104 WeakPolarHBondContact O-CA 3.35Å; S100-G104 PolarHBondContact O-N 3.31Å
101	A	97.9	Very high	97	Very high	85 Å²	85	39.6 Å²	39.6	70%	0.702	25%	0.251	S	S	*	.	H	α-helix	trans	-67.2	-35.8	177.1	0	0	0	0	0	113.3	H97 V98 K99	H97-A101 WeakPolarHBondContact O-CB 3.47Å; H97-A101 PolarHBondContact O-N 3.16Å; V98-A101 PolarHBondContact O-N 3.16Å; K99-A101 VanDerWaalsContact C-N 3.33Å; K99-A101 PolarHBondContact O-N 3.31Å
102	L	97.9	Very high	97.3	Very high	113 Å²	113	38.3 Å²	38.3	59%	0.592	24%	0.242	S	C	*	.	H	α-helix	trans	-71.4	-42.8	177.7	-72.4	174.2	0	0	0	112.5	V78 V98 K99	V78-L102 HydrophobicContact CG2-CD1 3.61Å; V98-L102 HydrophobicContact CG1-CD1 4.08Å; V98-L102 HydrophobicContact CG1-CG 4.37Å; V98-L102 WeakPolarHBondContact O-CG 3.41Å; V98-L102 PolarHBondContact O-N 3.17Å; K99-L102 PolarHBondContact O-N 3.41Å
103	V	98	Very high	97.5	Very high	47 Å²	47	43.7 Å²	43.7	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-80.2	-40.7	-178	177.3	0	0	0	0	111.4	S55 L74 K99	S55-V103 WeakPolarHBondContact OG-CB 3.35Å; S55-V103 WeakPolarHBondContact OG-CG1 3.49Å; L74-V103 HydrophobicContact CD1-CG2 4.34Å; L74-V103 HydrophobicContact CD2-CG2 3.96Å; K99-V103 WeakPolarHBondContact O-CB 3.2Å; K99-V103 WeakPolarHBondContact O-CG2 3.28Å; K99-V103 PolarHBondContact O-N 3.17Å
104	G	97.9	Very high	97.6	Very high	21 Å²	21	44.1 Å²	44.1	22%	0.216	28%	0.276	C	S	.	.			trans	107.3	152.7	-179.5	0	0	0	0	0	114.1	S55 I56 S100	S55-G104 WeakPolarHBondContact CA-O 3.5Å; S55-G104 WeakPolarHBondContact CB-O 3.18Å; I56-G104 PolarHBondContact N-O 3.13Å; S100-G104 WeakPolarHBondContact O-CA 3.35Å; S100-G104 PolarHBondContact O-N 3.31Å
105	A	97.7	Very high	97.7	Very high	34 Å²	34	49 Å²	49	28%	0.281	30%	0.296	S	S	.	.	S	Bend	trans	-102.2	1.5	-179.5	0	0	0	0	0	113.6	C48 I49 I56	C48-A105 WeakPolarHBondContact CA-O 3.39Å; I49-A105 HydrophobicContact CG2-CB 3.88Å; I49-A105 WeakPolarHBondContact CG2-O 3.37Å; I49-A105 PolarHBondContact N-O 3.44Å; I56-A105 VanDerWaalsContact CG2-C 3.46Å; I56-A105 WeakPolarHBondContact CG2-O 3.49Å
106	T	98.6	Very high	97.8	Very high	76 Å²	76	49.6 Å²	49.6	47%	0.466	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.2	-173.9	58.5	0	0	0	0	113.1	L47 C48	L47-T106 CarbonylContact O-C 3.56Å; L47-T106 WeakPolarHBondContact O-CA 3.35Å; C48-T106 HydrophobicContact CB-CG2 4.06Å
107	L	98.4	Very high	97.9	Very high	25 Å²	25	52.7 Å²	52.7	13%	0.131	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.3	167.4	-68.2	178	0	0	0	110.4	H46 L47 I56 L58 I109 I124	H46-L107 CarbonylContact C-O 3.58Å; H46-L107 WeakPolarHBondContact CA-O 3.13Å; L47-L107 HydrophobicContact CB-CB 4.34Å; L47-L107 PolarHBondContact N-O 2.86Å; L47-L107 PolarHBondContact O-N 2.91Å; I56-L107 HydrophobicContact CD1-CD1 3.99Å; I56-L107 HydrophobicContact CD1-CG 4.4Å; I56-L107 HydrophobicContact CG1-CD1 3.71Å; I56-L107 HydrophobicContact CG1-CG 4.15Å; I56-L107 HydrophobicContact CG2-CG 4.16Å; L58-L107 HydrophobicContact CB-CD1 4.29Å; L58-L107 HydrophobicContact CB-CD2 4.09Å; L107-I109 HydrophobicContact CB-CD1 4.35Å; L107-I109 HydrophobicContact CB-CG1 4.27Å; L107-I109 HydrophobicContact CD1-CD1 4.27Å; L107-I124 HydrophobicContact CD1-CG2 3.94Å
108	C	98.5	Very high	98	Very high	94 Å²	94	52.3 Å²	52.3	64%	0.635	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	109.1	174.3	-169.2	0	0	0	0	107.7	V44	V44-C108 WeakPolarHBondContact CG2-SG 3.12Å
109	I	98.6	Very high	98	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.5	-169.6	-56.6	172.6	0	0	0	108.9	V44 L45 L47 L58 L107 L116 L118 I124	V44-I109 CarbonylContact C-O 3.58Å; V44-I109 WeakPolarHBondContact CA-O 3.49Å; L45-I109 HydrophobicContact CB-CB 4.47Å; L45-I109 PolarHBondContact N-O 3.4Å; L45-I109 PolarHBondContact O-N 2.85Å; L47-I109 HydrophobicContact CD1-CD1 4.32Å; L58-I109 HydrophobicContact CD1-CD1 4.32Å; L107-I109 HydrophobicContact CB-CD1 4.35Å; L107-I109 HydrophobicContact CB-CG1 4.27Å; L107-I109 HydrophobicContact CD1-CD1 4.27Å; I109-L116 HydrophobicContact CG2-CB 4.12Å; I109-L116 HydrophobicContact CG2-CD2 4.18Å; I109-L118 HydrophobicContact CG2-CD2 3.61Å; I109-L118 HydrophobicContact CG2-CG 4.35Å; I109-I124 HydrophobicContact CD1-CD1 3.65Å; I109-I124 HydrophobicContact CD1-CG1 3.78Å
110	P	98.5	Very high	97.9	Very high	72 Å²	72	57.4 Å²	57.4	47%	0.468	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	148.5	176.4	-16.9	29.5	0	0	0	111.9	S117	P110-S117 WeakPolarHBondContact O-CB 3.42Å; P110-S117 PolarHBondContact O-N 3.35Å
111	I	98.3	Very high	97.9	Very high	1 Å²	1	63.7 Å²	63.7	1%	0.005	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	133	174.5	-56.5	166.1	0	0	0	108.3	L37 I40 G43 L45 K115 L116 I158	L37-I111 HydrophobicContact CD2-CD1 3.56Å; L37-I111 HydrophobicContact CD2-CG1 4.02Å; I40-I111 HydrophobicContact CB-CG2 4Å; I40-I111 HydrophobicContact CG2-CB 4.22Å; I40-I111 HydrophobicContact CG2-CD1 4.28Å; I40-I111 HydrophobicContact CG2-CG2 3.84Å; G43-I111 PolarHBondContact N-O 3.46Å; G43-I111 VanDerWaalsContact N-O 3.17Å; G43-I111 PolarHBondContact O-N 3.05Å; L45-I111 HydrophobicContact CB-CD1 4.07Å; L45-I111 HydrophobicContact CB-CG1 4.24Å; I111-K115 CarbonylContact C-O 3.51Å; I111-K115 WeakPolarHBondContact CA-O 3.42Å; I111-K115 WeakPolarHBondContact CG2-O 3.43Å; I111-L116 HydrophobicContact CG1-CD2 4.26Å; I111-I158 HydrophobicContact CD1-CG2 3.84Å
112	T	97.8	Very high	97.9	Very high	62 Å²	62	63.6 Å²	63.6	38%	0.38	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.2	175.9	-55.3	0	0	0	0	109.8	S41 G114 K115 S117	S41-T112 CarbonylContact O-C 3.41Å; S41-T112 WeakPolarHBondContact O-CA 3.42Å; T112-G114 VanDerWaalsContact C-N 3.26Å; T112-G114 PolarHBondContact O-N 2.65Å; T112-K115 PolarHBondContact N-O 3.12Å; T112-K115 PolarHBondContact O-N 3.32Å; T112-S117 PolarHBondContact OG1-OG 3.11Å
113	N	96.8	Very high	97.9	Very high	123 Å²	123	58.2 Å²	58.2	66%	0.658	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	47.2	177	-61.6	-36.3	0	0	0	112.9	S41 K115	S41-N113 PolarHBondContact O-N 3.09Å; N113-K115 VanDerWaalsContact C-N 3.3Å; N113-K115 PolarHBondContact O-N 2.65Å
114	G	96.7	Very high	98	Very high	12 Å²	12	56 Å²	56	12%	0.124	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	77	8.9	176.8	0	0	0	0	0	116	L37 I40 T112	L37-G114 CarbonylContact C-O 3.56Å; L37-G114 WeakPolarHBondContact O-CA 3.3Å; I40-G114 VanDerWaalsContact O-CA 3.32Å; I40-G114 WeakPolarHBondContact O-CA 3.39Å; I40-G114 PolarHBondContact O-N 3.39Å; T112-G114 VanDerWaalsContact C-N 3.26Å; T112-G114 PolarHBondContact O-N 2.65Å
115	K	97.9	Very high	98	Very high	152 Å²	152	55 Å²	55	66%	0.661	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	152	-176.2	-61.8	-178	-178.5	-178.4	0	111.8	I111 T112 N113 S117	I111-K115 CarbonylContact C-O 3.51Å; I111-K115 WeakPolarHBondContact CA-O 3.42Å; I111-K115 WeakPolarHBondContact CG2-O 3.43Å; T112-K115 PolarHBondContact N-O 3.12Å; T112-K115 PolarHBondContact O-N 3.32Å; N113-K115 VanDerWaalsContact C-N 3.3Å; N113-K115 PolarHBondContact O-N 2.65Å; K115-S117 PolarHBondContact O-N 3.22Å
116	L	98.3	Very high	98	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	126.2	167.9	-57.4	-177.5	0	0	0	109	E31 L37 L45 I109 I111 L118 I124	E31-L116 HydrophobicContact CG-CD1 3.99Å; L37-L116 HydrophobicContact CD1-CD2 4.06Å; L37-L116 HydrophobicContact CD1-CG 4.29Å; L37-L116 HydrophobicContact CD2-CD2 3.95Å; L45-L116 HydrophobicContact CB-CD2 4.11Å; L45-L116 HydrophobicContact CD2-CD1 4.3Å; L45-L116 HydrophobicContact CD2-CD2 3.6Å; I109-L116 HydrophobicContact CG2-CB 4.12Å; I109-L116 HydrophobicContact CG2-CD2 4.18Å; I111-L116 HydrophobicContact CG1-CD2 4.26Å; L116-L118 HydrophobicContact CB-CD1 4.15Å; L116-L118 HydrophobicContact CB-CG 3.94Å; L116-L118 HydrophobicContact CD1-CD1 4.44Å; L116-L118 PolarHBondContact O-N 2.89Å; L116-I124 HydrophobicContact CD1-CD1 3.93Å
117	S	97.9	Very high	97.9	Very high	64 Å²	64	50 Å²	50	45%	0.448	28%	0.28	S	S	.	.			trans	-84.6	71.6	-178.3	-153.3	0	0	0	0	109.5	P110 T112 K115	P110-S117 WeakPolarHBondContact O-CB 3.42Å; P110-S117 PolarHBondContact O-N 3.35Å; T112-S117 PolarHBondContact OG1-OG 3.11Å; K115-S117 PolarHBondContact O-N 3.22Å
118	L	98	Very high	97.8	Very high	44 Å²	44	48.9 Å²	48.9	23%	0.23	27%	0.274	C	S	.	.			trans	-98.3	150	-179	-63.7	-179.1	0	0	0	110.9	T27 L58 I109 L116 Q122	T27-L118 HydrophobicContact CG2-CD1 4.48Å; L58-L118 HydrophobicContact CD1-CD1 4.4Å; L58-L118 HydrophobicContact CD1-CD2 3.6Å; L58-L118 HydrophobicContact CD2-CD2 3.89Å; L58-L118 HydrophobicContact CG-CD2 4.35Å; I109-L118 HydrophobicContact CG2-CD2 3.61Å; I109-L118 HydrophobicContact CG2-CG 4.35Å; L116-L118 HydrophobicContact CB-CD1 4.15Å; L116-L118 HydrophobicContact CB-CG 3.94Å; L116-L118 HydrophobicContact CD1-CD1 4.44Å; L116-L118 PolarHBondContact O-N 2.89Å; L118-Q122 HydrophobicContact CB-CB 4.09Å; L118-Q122 HydrophobicContact CD2-CB 4.41Å
119	G	97.9	Very high	97.7	Very high	36 Å²	36	44.4 Å²	44.4	37%	0.371	24%	0.244	S	C	.	.			trans	-62.7	157.9	164.5	0	0	0	0	0	111.4	W121 Q122	G119-W121 PolarHBondContact O-N 2.81Å; G119-Q122 PolarHBondContact O-N 2.81Å
120	T	96.8	Very high	97.5	Very high	117 Å²	117	44.3 Å²	44.3	72%	0.718	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-40.2	-176.4	-54.5	0	0	0	0	113.5	N61	N61-T120 PolarHBondContact ND2-O 2.94Å; N61-T120 VanDerWaalsContact ND2-O 3.08Å
121	W	97.5	Very high	97	Very high	141 Å²	141	44.8 Å²	44.8	53%	0.534	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	6.2	-176.5	-54.6	119.7	0	0	0	113.5	E60 N61 W62 G119	E60-W121 CarbonylContact C-O 3.57Å; E60-W121 WeakPolarHBondContact CA-O 3.39Å; N61-W121 PolarHBondContact N-O 2.72Å; N61-W121 WeakPolarHBondContact OD1-CA 3.47Å; W62-W121 HydrophobicContact CB-CE3 3.51Å; W62-W121 HydrophobicContact CB-CZ3 3.48Å; W62-W121 VanDerWaalsContact CB-CZ3 3.48Å; W62-W121 AromaticContact CD1-CZ3 3.82Å; W62-W121 HydrophobicContact CD2-CZ3 4.19Å; W62-W121 HydrophobicContact CG-CE3 4.09Å; W62-W121 HydrophobicContact CG-CH2 4.44Å; W62-W121 AromaticContact CG-CZ3 3.54Å; W62-W121 HydrophobicContact CG-CZ3 3.54Å; G119-W121 PolarHBondContact O-N 2.81Å
122	Q	98.3	Very high	95.8	Very high	82 Å²	82	47.2 Å²	47.2	38%	0.383	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	138.8	-179.1	-73.7	-176.7	-37.7	0	0	111.6	L58 N59 N61 L118 G119	L58-Q122 HydrophobicContact CD1-CB 4.44Å; L58-Q122 HydrophobicContact CD2-CB 4.39Å; L58-Q122 HydrophobicContact CD2-CG 4.41Å; L58-Q122 HydrophobicContact CG-CB 4.26Å; N59-Q122 CarbonylContact O-C 3.4Å; N59-Q122 WeakPolarHBondContact O-CA 3.33Å; N61-Q122 PolarHBondContact ND2-O 2.87Å; L118-Q122 HydrophobicContact CB-CB 4.09Å; L118-Q122 HydrophobicContact CD2-CB 4.41Å; G119-Q122 PolarHBondContact O-N 2.81Å
123	G	98.3	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.4	176.1	0	0	0	0	0	111.2	T27 L58 N59	T27-G123 VanDerWaalsContact OG1-CA 3.32Å; T27-G123 WeakPolarHBondContact OG1-CA 3.49Å; L58-G123 WeakPolarHBondContact CA-O 3.4Å; L58-G123 WeakPolarHBondContact CD1-O 3.4Å; N59-G123 PolarHBondContact N-O 3.14Å; N59-G123 PolarHBondContact O-N 3.37Å
124	I	98.6	Very high	91.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	126.8	-179.2	-57.5	167.2	0	0	0	108.3	V26 T27 I30 L47 I56 L58 L107 I109 L116	V26-I124 HydrophobicContact CG2-CB 4.4Å; V26-I124 HydrophobicContact CG2-CG2 3.94Å; V26-I124 WeakPolarHBondContact CG2-O 3.46Å; V26-I124 PolarHBondContact N-O 3.12Å; T27-I124 PolarHBondContact N-O 2.66Å; T27-I124 PolarHBondContact OG1-N 2.87Å; I30-I124 HydrophobicContact CB-CD1 4.35Å; I30-I124 HydrophobicContact CG1-CD1 4.49Å; I30-I124 HydrophobicContact CG2-CD1 4.17Å; L47-I124 HydrophobicContact CD1-CD1 3.96Å; L47-I124 HydrophobicContact CD1-CG2 4.25Å; I56-I124 HydrophobicContact CD1-CG2 3.97Å; I56-I124 HydrophobicContact CG1-CG2 3.98Å; L58-I124 HydrophobicContact CD1-CG1 3.99Å; L107-I124 HydrophobicContact CD1-CG2 3.94Å; I109-I124 HydrophobicContact CD1-CD1 3.65Å; I109-I124 HydrophobicContact CD1-CG1 3.78Å; L116-I124 HydrophobicContact CD1-CD1 3.93Å
125	W	98.4	Very high	88.6	Confident	2 Å²	2	45 Å²	45	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.4	176.7	-67.5	7.8	0	0	0	111	C23 H24 I56 S57 N59 E60 V66 R67 T70	C23-W125 HydrophobicContact CB-CD2 4.32Å; C23-W125 HydrophobicContact CB-CE3 3.69Å; C23-W125 HydrophobicContact CB-CZ3 4.02Å; H24-W125 CarbonylContact O-C 3.5Å; H24-W125 WeakPolarHBondContact O-CA 3.42Å; I56-W125 WeakPolarHBondContact CA-O 3.36Å; I56-W125 WeakPolarHBondContact CG1-O 3.36Å; S57-W125 PolarHBondContact N-O 3.01Å; S57-W125 PolarHBondContact O-N 2.85Å; N59-W125 HydrophobicContact CB-CD2 3.83Å; N59-W125 HydrophobicContact CB-CE3 3.93Å; N59-W125 HydrophobicContact CB-CH2 3.74Å; N59-W125 HydrophobicContact CB-CZ2 3.63Å; N59-W125 HydrophobicContact CB-CZ3 3.88Å; E60-W125 HydrophobicContact CB-CZ2 4.1Å; E60-W125 VanDerWaalsContact O-CE2 3.25Å; E60-W125 WeakPolarHBondContact O-CZ2 3.34Å; E60-W125 PolarHBondContact O-NE1 2.81Å; V66-W125 HydrophobicContact CB-CH2 4.46Å; V66-W125 HydrophobicContact CG1-CH2 3.98Å; R67-W125 HydrophobicContact CB-CH2 4.37Å; R67-W125 HydrophobicContact CG-CD2 4.05Å; R67-W125 HydrophobicContact CG-CE3 4.24Å; R67-W125 HydrophobicContact CG-CH2 3.54Å; R67-W125 HydrophobicContact CG-CZ2 3.3Å; R67-W125 HydrophobicContact CG-CZ3 4.01Å; T70-W125 HydrophobicContact CG2-CZ3 4.1Å
126	L	97.7	Very high	86	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.1	158.7	173.3	65.7	0	0	0	107.3	M16 R19 H24 V26 I49 R152	M16-L126 HydrophobicContact CB-CD2 4.23Å; M16-L126 HydrophobicContact CG-CD2 4.47Å; R19-L126 HydrophobicContact CG-CD2 4.39Å; H24-L126 PolarHBondContact CD2-O 3Å; H24-L126 PolarHBondContact N-O 3.24Å; H24-L126 PolarHBondContact O-N 2.95Å; V26-L126 HydrophobicContact CG1-CB 3.8Å; V26-L126 HydrophobicContact CG2-CB 4.01Å; I49-L126 HydrophobicContact CD1-CD1 3.35Å; L126-R152 HydrophobicContact CD1-CG 4.49Å; L126-R152 HydrophobicContact CD2-CG 4.38Å
127	C	97.4	Very high	83.5	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	112.3	175.1	-50.4	0	0	0	0	108.9	A54 S55	A54-C127 WeakPolarHBondContact CA-O 3.41Å; A54-C127 WeakPolarHBondContact CB-O 3.46Å; S55-C127 PolarHBondContact N-O 2.92Å; S55-C127 PolarHBondContact O-N 3.18Å; S55-C127 VanDerWaalsContact OG-CB 3.28Å; S55-C127 WeakPolarHBondContact OG-CB 3.3Å
128	E	96.5	Very high	80.8	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.7	173.1	179.2	56	-117.3	0	0	109.1	R21 G22 R130 R152	R21-E128 CarbonylContact C-O 3.49Å; R21-E128 VanDerWaalsContact CA-O 3.32Å; R21-E128 WeakPolarHBondContact CA-O 3.4Å; R21-E128 WeakPolarHBondContact CG-O 3.45Å; G22-E128 PolarHBondContact N-O 2.87Å; G22-E128 PolarHBondContact O-N 3.33Å; E128-R130 WeakPolarHBondContact OE1-CB 3.36Å; E128-R130 PolarHBondContact OE1-N 3.48Å; E128-R130 VanDerWaalsContact OE1-N 3.11Å; E128-R152 IonicContact OE1-CZ 3.11Å; E128-R152 IonicContact OE1-NE 3.8Å; E128-R152 IonicContact OE1-NH2 2.81Å; E128-R152 PolarHBondContact OE1-NH2 3.27Å; E128-R152 IonicContact OE2-CZ 3.94Å; E128-R152 IonicContact OE2-NE 3.85Å; E128-R152 PolarHBondContact OE2-NE 3.29Å; E128-R152 IonicContact OE2-NH2 3.73Å; E128-R152 PolarHBondContact OE2-NH2 3.19Å
129	H	96.1	Very high	78.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.275	C	S	.	.			trans	-95.1	-11.1	-176.4	-55.7	-55.2	0	0	0	113.3	S53 S55 A96 K99	S53-H129 WeakPolarHBondContact O-CB 3.27Å; S53-H129 PolarHBondContact O-CD2 3.3Å; S55-H129 PolarHBondContact OG-CE1 3.46Å; S55-H129 PolarHBondContact OG-NE2 3.24Å; A96-H129 HydrophobicContact CB-CB 3.49Å; A96-H129 VanDerWaalsContact CB-CB 3.49Å; K99-H129 HydrophobicContact CB-CB 4.47Å; K99-H129 HydrophobicContact CD-CB 4.22Å
130	R	93.8	Very high	75.8	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.011	29%	0.293	C	S	.	.	S	Bend	trans	-96.2	142.5	-179.9	-53.9	-77.3	-79.8	129.8	-1.4	110.4	S53 E89 D92 D93 A96 E128 S132	S53-R130 VanDerWaalsContact OG-CG 3.31Å; S53-R130 WeakPolarHBondContact OG-CG 3.47Å; E89-R130 PolarHBondContact O-NH2 3.25Å; D92-R130 PolarHBondContact O-NH1 3.24Å; D92-R130 IonicContact OD1-CZ 3.79Å; D92-R130 IonicContact OD1-NH1 2.99Å; D92-R130 PolarHBondContact OD1-NH1 3.18Å; D92-R130 IonicContact OD2-NH1 3.98Å; D92-R130 PolarHBondContact OD2-NH1 3.41Å; D92-R130 VanDerWaalsContact OD2-NH1 3.09Å; D93-R130 IonicContact OD1-CZ 2.89Å; D93-R130 IonicContact OD1-NE 2.65Å; D93-R130 PolarHBondContact OD1-NE 2.91Å; D93-R130 VanDerWaalsContact OD1-NE 3.12Å; D93-R130 IonicContact OD1-NH1 2.73Å; D93-R130 IonicContact OD1-NH2 3.86Å; D93-R130 PolarHBondContact OD1-NH2 3.42Å; A96-R130 HydrophobicContact CB-CG 4.06Å; E128-R130 WeakPolarHBondContact OE1-CB 3.36Å; E128-R130 PolarHBondContact OE1-N 3.48Å; E128-R130 VanDerWaalsContact OE1-N 3.11Å; R130-S132 WeakPolarHBondContact CB-O 3.3Å
131	N	88.5	Confident	73.5	Confident	82 Å²	82	46.5 Å²	46.5	44%	0.439	27%	0.273	S	S	.	.	S	Bend	trans	-65.9	-45.6	179.7	-72	-39.2	0	0	0	112.3	R21 D92	R21-N131 WeakPolarHBondContact CD-OD1 3.49Å; R21-N131 PolarHBondContact NH1-OD1 3.42Å; D92-N131 WeakPolarHBondContact OD2-CB 3.37Å; D92-N131 PolarHBondContact OD2-N 3.19Å; D92-N131 PolarHBondContact OD2-ND2 3.4Å
132	S	72.7	Confident	71	Confident	52 Å²	52	46.2 Å²	46.2	36%	0.364	28%	0.281	S	S	.	.	S	Bend	trans	-101.1	127.1	164.2	-64.7	0	0	0	0	106.8	R130 G134	R130-S132 WeakPolarHBondContact CB-O 3.3Å; S132-G134 WeakPolarHBondContact O-CA 3.47Å; S132-G134 PolarHBondContact O-N 2.75Å
133	G	53.9	Low	68.5	Low	9 Å²	9	47 Å²	47	9%	0.093	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	0.1	170.7	0	0	0	0	0	114.6	R152	G133-R152 VanDerWaalsContact O-CZ 3.28Å; G133-R152 PolarHBondContact O-NH1 3.34Å; G133-R152 PolarHBondContact O-NH2 3.32Å
134	G	49.2	Very low	66	Low	6 Å²	6	52.3 Å²	52.3	6%	0.062	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	171.3	62.8	147.5	0	0	0	0	0	115	S132 I148 A149	S132-G134 WeakPolarHBondContact O-CA 3.47Å; S132-G134 PolarHBondContact O-N 2.75Å; G134-I148 VanDerWaalsContact CA-O 3.27Å; G134-I148 WeakPolarHBondContact CA-O 3.42Å; G134-A149 WeakPolarHBondContact O-CB 3.2Å
135	M	37.8	Very low	63.3	Low	134 Å²	134	55.3 Å²	55.3	66%	0.66	33%	0.332	S	S	*	.			trans	-142	89.2	179.9	-96.1	173	52.6	0	0	111.9	F137	M135-F137 HydrophobicContact CG-CE2 4.05Å
136	A	42.6	Very low	60.7	Low	40 Å²	40	63.2 Å²	63.2	33%	0.331	37%	0.369	S	S	.	.			trans	-158	106.8	149.7	0	0	0	0	0	107.2
137	F	44.6	Very low	58.1	Low	95 Å²	95	70.7 Å²	70.7	42%	0.417	40%	0.404	S	S	.	.			trans	-107.8	135.9	-169.6	-64.8	-66.6	0	0	0	112.3	M135 Q145	M135-F137 HydrophobicContact CG-CE2 4.05Å; F137-Q145 HydrophobicContact CD1-CB 4.45Å; F137-Q145 HydrophobicContact CD1-CG 3.76Å; F137-Q145 HydrophobicContact CE1-CB 3.77Å; F137-Q145 HydrophobicContact CE1-CG 3.58Å; F137-Q145 HydrophobicContact CG-CG 4.46Å; F137-Q145 HydrophobicContact CZ-CB 4.02Å; F137-Q145 HydrophobicContact CZ-CG 4.11Å
138	C	41.9	Very low	55.7	Low	67 Å²	67	71.8 Å²	71.8	45%	0.453	41%	0.41	S	S	.	.			trans	-81	133.8	151.8	-152.7	0	0	0	0	108.4	C88 S140	C88-C138 WeakPolarHBondContact O-CB 3.44Å; C138-S140 PolarHBondContact O-N 2.67Å
139	A	47.8	Very low	53.5	Low	109 Å²	109	74.5 Å²	74.5	90%	0.901	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	3.4	-172.1	0	0	0	0	0	115.7
140	S	43.2	Very low	51.7	Low	108 Å²	108	75.9 Å²	75.9	76%	0.755	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-0.1	-170	57.3	0	0	0	0	116.3	C138	C138-S140 PolarHBondContact O-N 2.67Å
141	S	47.7	Very low	50.7	Low	42 Å²	42	79 Å²	79	29%	0.294	47%	0.469	S	S	.	.			trans	-146.6	101.5	171.3	70.8	0	0	0	0	114.4	S143 Q145	S141-S143 VanDerWaalsContact C-N 3.28Å; S141-S143 PolarHBondContact O-N 3.19Å; S141-Q145 WeakPolarHBondContact O-CG 3.24Å
142	L	45.4	Very low	50.7	Low	135 Å²	135	75.4 Å²	75.4	71%	0.707	45%	0.449	S	S	*	.	S	Bend	trans	-64.2	-30.5	172.4	-70.5	163.6	0	0	0	112.3	K144 Q145	L142-K144 PolarHBondContact O-N 2.7Å; L142-Q145 VanDerWaalsContact CD2-OE1 3.23Å; L142-Q145 WeakPolarHBondContact O-CB 3.35Å; L142-Q145 WeakPolarHBondContact O-CG 3.48Å; L142-Q145 PolarHBondContact O-N 2.78Å
143	S	46.4	Very low	51.8	Low	97 Å²	97	77.8 Å²	77.8	68%	0.678	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.3	-175.3	60.1	0	0	0	0	114.1	S141 Q145	S141-S143 VanDerWaalsContact C-N 3.28Å; S141-S143 PolarHBondContact O-N 3.19Å; S143-Q145 VanDerWaalsContact C-N 3.33Å
144	K	45.7	Very low	53.9	Low	113 Å²	113	77.3 Å²	77.3	49%	0.491	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-13.5	175.3	-75.1	-173	170.9	-170.8	0	113.3	E89 L142 Q146 H147 I148	E89-K144 IonicContact OE1-NZ 3.25Å; L142-K144 PolarHBondContact O-N 2.7Å; K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 2.81Å; K144-H147 PolarHBondContact O-N 2.83Å; K144-I148 HydrophobicContact CB-CD1 4.47Å
145	Q	42.9	Very low	56.2	Low	62 Å²	62	77.9 Å²	77.9	29%	0.29	45%	0.451	S	S	.	.	H	α-helix	trans	-63.5	-32.9	-175.6	-60.8	-177.2	-35.7	0	0	113.5	F137 S141 L142 S143 A149	F137-Q145 HydrophobicContact CD1-CB 4.45Å; F137-Q145 HydrophobicContact CD1-CG 3.76Å; F137-Q145 HydrophobicContact CE1-CB 3.77Å; F137-Q145 HydrophobicContact CE1-CG 3.58Å; F137-Q145 HydrophobicContact CG-CG 4.46Å; F137-Q145 HydrophobicContact CZ-CB 4.02Å; F137-Q145 HydrophobicContact CZ-CG 4.11Å; S141-Q145 WeakPolarHBondContact O-CG 3.24Å; L142-Q145 VanDerWaalsContact CD2-OE1 3.23Å; L142-Q145 WeakPolarHBondContact O-CB 3.35Å; L142-Q145 WeakPolarHBondContact O-CG 3.48Å; L142-Q145 PolarHBondContact O-N 2.78Å; S143-Q145 VanDerWaalsContact C-N 3.33Å; Q145-A149 PolarHBondContact O-N 2.87Å
146	Q	42.5	Very low	59.1	Low	168 Å²	168	71.6 Å²	71.6	79%	0.785	42%	0.42	S	S	*	.	H	α-helix	trans	-77.1	-25.7	-178.5	-66.4	-176.6	-27.4	0	0	113.4	K144	K144-Q146 VanDerWaalsContact C-N 3.29Å; K144-Q146 PolarHBondContact O-N 2.81Å
147	H	44	Very low	61.8	Low	159 Å²	159	70.5 Å²	70.5	74%	0.736	41%	0.409	S	S	*	.	H	α-helix	trans	-78.7	-33.2	-179.6	-100.5	-85.8	0	0	0	112.6	K144	K144-H147 PolarHBondContact O-N 2.83Å
148	I	47.7	Very low	64.3	Low	25 Å²	25	66 Å²	66	13%	0.128	39%	0.39	C	S	.	.	H	α-helix	trans	-85	-41.9	-173.3	-60.6	162.7	0	0	0	110.6	E89 G134 K144 G150 R152	E89-I148 VanDerWaalsContact OE2-CD1 3.22Å; E89-I148 WeakPolarHBondContact OE2-CD1 3.46Å; G134-I148 VanDerWaalsContact CA-O 3.27Å; G134-I148 WeakPolarHBondContact CA-O 3.42Å; K144-I148 HydrophobicContact CB-CD1 4.47Å; I148-G150 VanDerWaalsContact C-N 3.28Å; I148-G150 PolarHBondContact O-N 3.24Å; I148-R152 PolarHBondContact O-NH1 2.83Å
149	A	49.4	Very low	67	Low	59 Å²	59	66.3 Å²	66.3	49%	0.488	38%	0.384	S	S	.	.	S	Bend	trans	-80.6	2.5	-179.1	0	0	0	0	0	115.3	G134 Q145	G134-A149 WeakPolarHBondContact O-CB 3.2Å; Q145-A149 PolarHBondContact O-N 2.87Å
150	G	57.7	Low	69.3	Low	29 Å²	29	61.4 Å²	61.4	30%	0.299	34%	0.344	S	S	.	.	S	Bend	trans	-77.5	144.6	-173.4	0	0	0	0	0	113.4	I148 R152	I148-G150 VanDerWaalsContact C-N 3.28Å; I148-G150 PolarHBondContact O-N 3.24Å; G150-R152 PolarHBondContact O-N 3.15Å; G150-R152 PolarHBondContact O-NH1 2.72Å
151	S	74.2	Confident	71.7	Confident	69 Å²	69	57.6 Å²	57.6	48%	0.483	32%	0.318	S	S	.	.			trans	-41.1	128.5	158.9	-63.3	0	0	0	0	110	M16 K153	M16-S151 WeakPolarHBondContact O-CB 3.29Å; S151-K153 PolarHBondContact O-N 3.4Å
152	R	87.9	Confident	73.6	Confident	6 Å²	6	59.4 Å²	59.4	2%	0.023	32%	0.321	C	S	.	.			trans	-61.8	131.6	179.7	-56.6	-65.2	177.3	-114	10.2	108.6	M16 H51 L126 E128 G133 I148 G150	M16-R152 HydrophobicContact CB-CB 4.12Å; M16-R152 WeakPolarHBondContact CB-O 3.35Å; M16-R152 HydrophobicContact CG-CB 4.38Å; M16-R152 WeakPolarHBondContact CG-O 3.41Å; M16-R152 PolarHBondContact N-O 3.22Å; H51-R152 VanDerWaalsContact CE1-CZ 3.48Å; H51-R152 PolarHBondContact NE2-NH1 3.43Å; L126-R152 HydrophobicContact CD1-CG 4.49Å; L126-R152 HydrophobicContact CD2-CG 4.38Å; E128-R152 IonicContact OE1-CZ 3.11Å; E128-R152 IonicContact OE1-NE 3.8Å; E128-R152 IonicContact OE1-NH2 2.81Å; E128-R152 PolarHBondContact OE1-NH2 3.27Å; E128-R152 IonicContact OE2-CZ 3.94Å; E128-R152 IonicContact OE2-NE 3.85Å; E128-R152 PolarHBondContact OE2-NE 3.29Å; E128-R152 IonicContact OE2-NH2 3.73Å; E128-R152 PolarHBondContact OE2-NH2 3.19Å; G133-R152 VanDerWaalsContact O-CZ 3.28Å; G133-R152 PolarHBondContact O-NH1 3.34Å; G133-R152 PolarHBondContact O-NH2 3.32Å; I148-R152 PolarHBondContact O-NH1 2.83Å; G150-R152 PolarHBondContact O-N 3.15Å; G150-R152 PolarHBondContact O-NH1 2.72Å
153	K	95.6	Very high	74.9	Confident	101 Å²	101	59 Å²	59	44%	0.439	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	177.9	-70	178.5	-178	176.9	0	109.6	I13 I14 Q50 S151	I13-K153 HydrophobicContact CG2-CB 4.04Å; I13-K153 HydrophobicContact CG2-CD 4.14Å; I13-K153 HydrophobicContact CG2-CG 4.1Å; I14-K153 WeakPolarHBondContact O-CA 3.22Å; Q50-K153 HydrophobicContact CB-CB 4.33Å; Q50-K153 PolarHBondContact N-O 2.84Å; S151-K153 PolarHBondContact O-N 3.4Å
154	I	97.8	Very high	76.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	121.4	173.2	-62.6	171.8	0	0	0	107.9	I13 I14 M16 I30 L47 C48 I49 I56 A156	I13-I154 WeakPolarHBondContact CA-O 3.45Å; I14-I154 PolarHBondContact N-O 2.82Å; I14-I154 PolarHBondContact O-N 3.36Å; M16-I154 HydrophobicContact CE-CD1 4.37Å; M16-I154 HydrophobicContact CG-CD1 3.73Å; M16-I154 HydrophobicContact CG-CG1 4.12Å; M16-I154 HydrophobicContact SD-CD1 3.85Å; I30-I154 HydrophobicContact CD1-CD1 3.94Å; L47-I154 HydrophobicContact CB-CG2 4.01Å; L47-I154 HydrophobicContact CD2-CG2 4.01Å; C48-I154 CarbonylContact O-C 3.6Å; C48-I154 WeakPolarHBondContact O-CA 3.41Å; I49-I154 HydrophobicContact CB-CG1 4.27Å; I49-I154 HydrophobicContact CG1-CG1 4.15Å; I56-I154 HydrophobicContact CD1-CD1 4.09Å; I56-I154 HydrophobicContact CD1-CG2 4.45Å; I154-A156 PolarHBondContact O-N 2.83Å
155	V	98.4	Very high	78	Confident	18 Å²	18	54.1 Å²	54.1	11%	0.109	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	111.5	169	-178.4	0	0	0	0	107.4	Q11 I13 L47 C48 Q50	Q11-V155 HydrophobicContact CG-CG1 3.78Å; I13-V155 HydrophobicContact CG1-CG2 4.33Å; L47-V155 WeakPolarHBondContact CA-O 3.32Å; C48-V155 HydrophobicContact CB-CB 4.49Å; C48-V155 PolarHBondContact N-O 2.86Å; C48-V155 PolarHBondContact O-N 2.82Å; Q50-V155 VanDerWaalsContact CD-CG2 3.49Å; Q50-V155 HydrophobicContact CG-CG2 3.79Å
156	A	98.5	Very high	79.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.008	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.2	173.3	0	0	0	0	0	109.3	Q11 K12 I14 L34 L45 H46 L47 I154	Q11-A156 CarbonylContact C-O 3.58Å; Q11-A156 VanDerWaalsContact CA-O 3.28Å; Q11-A156 WeakPolarHBondContact CA-O 3.44Å; K12-A156 PolarHBondContact N-O 3.02Å; K12-A156 PolarHBondContact O-N 2.83Å; I14-A156 HydrophobicContact CD1-CB 3.84Å; I14-A156 HydrophobicContact CG1-CB 4.35Å; L34-A156 HydrophobicContact CD1-CB 3.87Å; L34-A156 HydrophobicContact CD2-CB 3.87Å; L34-A156 HydrophobicContact CG-CB 4.42Å; L45-A156 HydrophobicContact CD1-CB 4.12Å; H46-A156 CarbonylContact O-C 3.52Å; H46-A156 WeakPolarHBondContact O-CA 3.46Å; L47-A156 HydrophobicContact CD2-CB 3.64Å; I154-A156 PolarHBondContact O-N 2.83Å
157	T	98.5	Very high	82.1	Confident	18 Å²	18	46.9 Å²	46.9	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119	174.7	-53.1	0	0	0	0	108.9	W9 I10 Q11 H46	W9-T157 HydrophobicContact CE3-CG2 3.88Å; W9-T157 HydrophobicContact CZ3-CG2 3.92Å; I10-T157 CarbonylContact O-C 3.39Å; I10-T157 VanDerWaalsContact O-CA 3.3Å; I10-T157 WeakPolarHBondContact O-CA 3.14Å; Q11-T157 PolarHBondContact NE2-OG1 2.88Å; H46-T157 PolarHBondContact N-O 3.14Å; H46-T157 PolarHBondContact O-N 3.43Å
158	I	98.1	Very high	84.5	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.8	174.8	-64.3	167.4	0	0	0	107.8	W9 I10 L34 L37 I40 V44 L45 I111	W9-I158 WeakPolarHBondContact CA-O 3.25Å; I10-I158 HydrophobicContact CB-CB 4.25Å; I10-I158 PolarHBondContact N-O 2.84Å; I10-I158 PolarHBondContact O-N 2.93Å; L34-I158 HydrophobicContact CB-CD1 4.37Å; L34-I158 HydrophobicContact CD1-CD1 4.46Å; L34-I158 HydrophobicContact CD2-CD1 4.26Å; L37-I158 HydrophobicContact CD2-CD1 3.72Å; L37-I158 HydrophobicContact CD2-CG1 4.13Å; L37-I158 HydrophobicContact CG-CD1 4Å; I40-I158 HydrophobicContact CD1-CG2 4.01Å; I40-I158 HydrophobicContact CG1-CG2 3.67Å; V44-I158 WeakPolarHBondContact O-CA 3.31Å; L45-I158 HydrophobicContact CD1-CG1 3.7Å; I111-I158 HydrophobicContact CD1-CG2 3.84Å
159	Q	97.4	Very high	87	Confident	72 Å²	72	40.9 Å²	40.9	34%	0.336	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.5	171.1	-178.8	-171.3	-1.2	0	0	108.9	C7 K8 W9 G43 V44	C7-Q159 VanDerWaalsContact SG-CG 3.6Å; K8-Q159 WeakPolarHBondContact O-CA 3.19Å; W9-Q159 HydrophobicContact CD2-CB 4.21Å; W9-Q159 HydrophobicContact CD2-CG 4.02Å; W9-Q159 HydrophobicContact CE3-CB 4.16Å; W9-Q159 HydrophobicContact CE3-CG 4.39Å; W9-Q159 HydrophobicContact CH2-CB 4.3Å; W9-Q159 VanDerWaalsContact CH2-CD 3.46Å; W9-Q159 HydrophobicContact CH2-CG 4.1Å; W9-Q159 HydrophobicContact CZ2-CB 4.35Å; W9-Q159 HydrophobicContact CZ2-CG 3.69Å; W9-Q159 VanDerWaalsContact CZ2-NE2 3.26Å; W9-Q159 HydrophobicContact CZ3-CB 4.2Å; W9-Q159 HydrophobicContact CZ3-CG 4.43Å; G43-Q159 CarbonylContact C-O 3.57Å; G43-Q159 WeakPolarHBondContact CA-O 3.34Å; V44-Q159 HydrophobicContact CG1-CB 4.09Å; V44-Q159 PolarHBondContact N-O 3.23Å; V44-Q159 PolarHBondContact O-N 2.99Å
160	G	96.2	Very high	89.7	Confident	6 Å²	6	39.6 Å²	39.6	6%	0.062	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	174.9	178.5	0	0	0	0	0	114.1	K8 I42	K8-G160 PolarHBondContact N-O 3.47Å; K8-G160 PolarHBondContact O-N 3.4Å; K8-G160 VanDerWaalsContact O-N 3.12Å; I42-G160 CarbonylContact O-C 3.45Å; I42-G160 WeakPolarHBondContact O-CA 3.42Å
161	S	94.1	Very high	92.1	Very high	29 Å²	29	40.5 Å²	40.5	20%	0.203	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.7	168.5	73.4	0	0	0	0	110	I40 S41 I42	I40-S161 CarbonylContact C-O 3.59Å; I40-S161 WeakPolarHBondContact CA-O 3.48Å; S41-S161 PolarHBondContact N-O 2.6Å; I42-S161 WeakPolarHBondContact CG2-OG 3.49Å; I42-S161 PolarHBondContact O-N 3.36Å
162	E	88.2	Confident	93.6	Very high	79 Å²	79	38.1 Å²	38.1	37%	0.369	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	167.3	173.3	-66	-175.6	129.6	0	0	111.5	Q5 K8 Q39 S41	Q5-E162 PolarHBondContact OE1-O 3.37Å; K8-E162 HydrophobicContact CB-CG 4.38Å; K8-E162 HydrophobicContact CD-CG 4.01Å; K8-E162 WeakPolarHBondContact CD-OE1 3.09Å; K8-E162 WeakPolarHBondContact CE-OE1 3.18Å; K8-E162 IonicContact NZ-OE1 2.71Å; K8-E162 PolarHBondContact NZ-OE1 2.87Å; Q39-E162 VanDerWaalsContact O-CA 3.24Å; Q39-E162 WeakPolarHBondContact O-CA 3.43Å; S41-E162 WeakPolarHBondContact CB-O 3.48Å
163	T	72.6	Confident	94.1	Very high	126 Å²	126	41 Å²	41	77%	0.773	22%	0.22	S	C	*	.			trans	-71.5	0	167.9	49.5	0	0	0	0	112	Q5 Q39	Q5-T163 PolarHBondContact NE2-OXT 3.02Å; Q39-T163 PolarHBondContact O-N 2.86Å

Retrieved 163 of 163 residues in 968.5 ms (Link to these results)

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