A0A077YZE2_TRITR Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession A0A077YZE2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 aa.

						>A0A077YZE2_TRITR|A0A077YZE2
MLTGHLALLIFCALTLADVKIGIKRKATTCDTKSKNGDILHVRYKGMLSDGTEFDSTQARDEPFAFSLGSGQVISGWEKGLQGMCESEIRRLIIPPELAYGSSGVPPVIPLYIAADSTLTFEIELLKIERPDRDL
					

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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	48.6	Very low	53.7	Low	248 Å²	248	147.5 Å²	147.5	100%	1.222	80%	0.804	S	S	*	*				0	108.1	0	-67	-125.1	175.7	0	0	107.1
2	L	44.6	Very low	54	Low	176 Å²	176	143.5 Å²	143.5	92%	0.921	79%	0.793	S	S	*	*			trans	-104.5	108.3	-176.2	-165.2	85.4	0	0	0	107.4
3	T	51.3	Low	54.1	Low	119 Å²	119	138.9 Å²	138.9	73%	0.73	79%	0.785	S	S	*	*			trans	-144.3	89.9	162.3	29.9	0	0	0	0	108.1	H5	T3-H5 PolarHBondContact O-N 2.68Å
4	G	52.7	Low	54.6	Low	72 Å²	72	138.3 Å²	138.3	74%	0.742	78%	0.778	S	S	*	*			trans	-64.8	125.5	166.2	0	0	0	0	0	109.8
5	H	52	Low	55.2	Low	177 Å²	177	137.6 Å²	137.6	82%	0.819	78%	0.778	S	S	*	*			trans	-103.6	78.5	158.8	-69.6	74.8	0	0	0	106.3	T3	T3-H5 PolarHBondContact O-N 2.68Å
6	L	53.8	Low	56.5	Low	166 Å²	166	138.3 Å²	138.3	87%	0.869	78%	0.778	S	S	*	*			trans	-62.9	125.2	167.5	-172.7	72.2	0	0	0	108
7	A	57.3	Low	58.4	Low	73 Å²	73	133.2 Å²	133.2	60%	0.603	76%	0.758	S	S	*	*			trans	55.7	76.3	152	0	0	0	0	0	117.8	L9	A7-L9 PolarHBondContact O-N 2.85Å
8	L	56.6	Low	60.4	Low	152 Å²	152	130.9 Å²	130.9	80%	0.796	74%	0.743	S	S	*	*			trans	-91.1	51.4	143.1	-156.4	73.9	0	0	0	109.6	I10	L8-I10 HydrophobicContact CD1-CD1 3.57Å; L8-I10 HydrophobicContact CD1-CG1 3.64Å; L8-I10 HydrophobicContact CD2-CD1 3.9Å; L8-I10 HydrophobicContact CG-CD1 3.68Å; L8-I10 HydrophobicContact CG-CG1 3.76Å; L8-I10 PolarHBondContact O-N 2.99Å
9	L	55.3	Low	62.4	Low	138 Å²	138	124.8 Å²	124.8	72%	0.723	71%	0.708	S	S	*	*			trans	-72.2	67.9	150.5	-68.6	172.7	0	0	0	105.9	A7 F11	A7-L9 PolarHBondContact O-N 2.85Å; L9-F11 PolarHBondContact O-N 3.08Å
10	I	59.4	Low	64.2	Low	125 Å²	125	125.9 Å²	125.9	64%	0.641	71%	0.705	S	S	*	*			trans	-60.9	94	148.6	-68.7	167.6	0	0	0	101.7	L8 C12	L8-I10 HydrophobicContact CD1-CD1 3.57Å; L8-I10 HydrophobicContact CD1-CG1 3.64Å; L8-I10 HydrophobicContact CD2-CD1 3.9Å; L8-I10 HydrophobicContact CG-CD1 3.68Å; L8-I10 HydrophobicContact CG-CG1 3.76Å; L8-I10 PolarHBondContact O-N 2.99Å; I10-C12 PolarHBondContact O-N 3.29Å
11	F	58.9	Low	65.8	Low	177 Å²	177	123.8 Å²	123.8	78%	0.776	69%	0.691	S	S	*	*			trans	-41.9	105.5	155	-86.6	-98.5	0	0	0	103.5	L9 A13	L9-F11 PolarHBondContact O-N 3.08Å; F11-A13 PolarHBondContact O-N 3.08Å
12	C	58.3	Low	68.2	Low	99 Å²	99	113.6 Å²	113.6	67%	0.669	65%	0.649	S	S	*	*			trans	-59.1	88.4	162.1	-173.4	0	0	0	0	102.5	I10 L14	I10-C12 PolarHBondContact O-N 3.29Å; C12-L14 PolarHBondContact O-N 3.02Å
13	A	54.7	Low	70.7	Confident	84 Å²	84	109.3 Å²	109.3	69%	0.694	63%	0.627	S	S	*	*			trans	-68.2	67.8	163.7	0	0	0	0	0	103.8	F11 T15	F11-A13 PolarHBondContact O-N 3.08Å; A13-T15 PolarHBondContact O-N 3.42Å
14	L	61.2	Low	73	Confident	130 Å²	130	109.1 Å²	109.1	68%	0.681	62%	0.616	S	S	*	*			trans	-64.4	93.4	165.9	-154.1	82.7	0	0	0	101.8	C12 L16	C12-L14 PolarHBondContact O-N 3.02Å; L14-L16 VanDerWaalsContact C-N 3.27Å; L14-L16 PolarHBondContact O-N 2.84Å
15	T	63.5	Low	75.1	Confident	128 Å²	128	110.7 Å²	110.7	79%	0.785	60%	0.599	S	S	*	*			trans	-55.4	104.3	168.2	52.2	0	0	0	0	104.7	A13 A17	A13-T15 PolarHBondContact O-N 3.42Å; T15-A17 PolarHBondContact O-N 3.33Å; T15-A17 VanDerWaalsContact O-N 3.12Å
16	L	76.3	Confident	77.3	Confident	149 Å²	149	110 Å²	110	78%	0.78	59%	0.594	S	S	*	*			trans	-54.1	123.6	173.9	-69.2	173.4	0	0	0	106.1	L14 D18	L14-L16 VanDerWaalsContact C-N 3.27Å; L14-L16 PolarHBondContact O-N 2.84Å; L16-D18 PolarHBondContact O-N 2.76Å
17	A	87.8	Confident	79.3	Confident	52 Å²	52	103.1 Å²	103.1	43%	0.43	56%	0.561	S	S	.	*			trans	-58.5	126.2	179.3	0	0	0	0	0	108.5	T15 P95	T15-A17 PolarHBondContact O-N 3.33Å; T15-A17 VanDerWaalsContact O-N 3.12Å; A17-P95 HydrophobicContact CB-CB 3.73Å; A17-P95 HydrophobicContact CB-CG 3.82Å
18	D	95.6	Very high	81.2	Confident	92 Å²	92	106.7 Å²	106.7	49%	0.492	58%	0.575	S	S	.	*			trans	-107.6	163.2	177.5	-152.2	10.6	0	0	0	110.6	L16 K20 K79 L98	L16-D18 PolarHBondContact O-N 2.76Å; D18-K20 PolarHBondContact O-N 3.36Å; D18-K79 WeakPolarHBondContact OD1-CD 3.25Å; D18-K79 IonicContact OD1-NZ 2.73Å; D18-K79 PolarHBondContact OD1-NZ 2.88Å; D18-L98 WeakPolarHBondContact OD1-CD1 3.45Å
19	V	98	Very high	83	Confident	14 Å²	14	104.1 Å²	104.1	9%	0.085	57%	0.566	C	S	.	*			trans	-63.1	127.4	177.4	58.1	0	0	0	0	110.3	I21 K79 L92 I94 L98	V19-I21 HydrophobicContact CG1-CG1 4.33Å; V19-I21 HydrophobicContact CG2-CG1 4.37Å; V19-K79 HydrophobicContact CG1-CB 3.75Å; V19-K79 HydrophobicContact CG1-CD 4.43Å; V19-L92 HydrophobicContact CG2-CB 4.09Å; V19-L92 HydrophobicContact CG2-CD2 4.3Å; V19-I94 HydrophobicContact CG2-CG1 3.92Å; V19-L98 HydrophobicContact CB-CD1 4.2Å
20	K	98.1	Very high	85	Confident	146 Å²	146	99.9 Å²	99.9	64%	0.635	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	123.5	171.3	-55.4	178.5	179.2	175.2	0	108.9	D18 L92 I93	D18-K20 PolarHBondContact O-N 3.36Å; K20-L92 WeakPolarHBondContact O-CA 3.17Å; K20-I93 HydrophobicContact CB-CB 4.12Å; K20-I93 HydrophobicContact CD-CD1 4.43Å; K20-I93 PolarHBondContact N-O 2.98Å; K20-I93 PolarHBondContact O-N 3.17Å
21	I	98.5	Very high	86.6	Confident	83 Å²	83	101.1 Å²	101.1	43%	0.426	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.8	119.3	-178.1	-52	172.3	0	0	0	108.9	V19 R90 L92	V19-I21 HydrophobicContact CG1-CG1 4.33Å; V19-I21 HydrophobicContact CG2-CG1 4.37Å; I21-R90 HydrophobicContact CG2-CG 4.3Å; I21-L92 HydrophobicContact CB-CD2 4.26Å; I21-L92 HydrophobicContact CG1-CD2 3.96Å; I21-L92 HydrophobicContact CG2-CD2 3.98Å
22	G	98.3	Very high	88.4	Confident	33 Å²	33	95.6 Å²	95.6	34%	0.34	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139.8	168.7	0	0	0	0	0	110.8	R90 R91	G22-R90 CarbonylContact O-C 3.57Å; G22-R90 VanDerWaalsContact O-CA 3.26Å; G22-R90 WeakPolarHBondContact O-CA 3.31Å; G22-R91 PolarHBondContact N-O 3.36Å; G22-R91 PolarHBondContact O-N 3.24Å
23	I	98.3	Very high	90.3	Very high	86 Å²	86	96.8 Å²	96.8	44%	0.441	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109	172.9	-57.2	175.4	0	0	0	108	R25 K26 E88 I89	I23-R25 VanDerWaalsContact CG2-C 3.48Å; I23-R25 WeakPolarHBondContact CG2-O 3.47Å; I23-K26 HydrophobicContact CG2-CB 4.49Å; I23-K26 HydrophobicContact CG2-CG 3.73Å; I23-E88 HydrophobicContact CG2-CG 4Å; I23-I89 CarbonylContact C-O 3.53Å
24	K	97.9	Very high	92.4	Very high	115 Å²	115	93 Å²	93	50%	0.5	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-34.2	176.2	-177.5	174.8	175.6	176.7	0	111.3	I89 E122	K24-I89 HydrophobicContact CB-CB 4.2Å; K24-I89 HydrophobicContact CB-CG2 3.91Å; K24-I89 HydrophobicContact CD-CG2 4.08Å; K24-I89 HydrophobicContact CG-CG2 4.4Å; K24-I89 PolarHBondContact N-O 3.49Å; K24-E122 IonicContact NZ-OE1 2.99Å; K24-E122 PolarHBondContact NZ-OE1 3.39Å; K24-E122 IonicContact NZ-OE2 3.91Å; K24-E122 PolarHBondContact NZ-OE2 3.05Å
25	R	98.4	Very high	94.2	Very high	105 Å²	105	92.3 Å²	92.3	40%	0.396	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	126.9	173.7	-173.3	179.7	66.3	-136.7	1.7	109.5	I23 S87 E88 I89 E124	I23-R25 VanDerWaalsContact CG2-C 3.48Å; I23-R25 WeakPolarHBondContact CG2-O 3.47Å; R25-S87 PolarHBondContact NE-O 3.35Å; R25-S87 PolarHBondContact NH2-O 3.49Å; R25-E88 CarbonylContact O-C 3.55Å; R25-E88 WeakPolarHBondContact O-CA 3.43Å; R25-E88 VanDerWaalsContact O-CG 3.24Å; R25-E88 WeakPolarHBondContact O-CG 3.3Å; R25-I89 HydrophobicContact CB-CB 4.11Å; R25-I89 HydrophobicContact CB-CG1 4.29Å; R25-I89 VanDerWaalsContact CZ-CG1 3.47Å; R25-I89 PolarHBondContact N-O 2.98Å; R25-I89 VanDerWaalsContact NH2-CG1 3.3Å; R25-I89 PolarHBondContact O-N 3.32Å; R25-E124 IonicContact CZ-OE1 3.54Å; R25-E124 IonicContact NH1-OE1 2.73Å; R25-E124 IonicContact NH2-OE1 3.91Å; R25-E124 PolarHBondContact NH2-OE1 3.29Å
26	K	97.8	Very high	95.8	Very high	163 Å²	163	90.7 Å²	90.7	71%	0.709	48%	0.477	S	S	*	.			trans	-77.7	148.3	171.4	-70	-179.1	177.2	-177.6	0	110	I23	I23-K26 HydrophobicContact CG2-CB 4.49Å; I23-K26 HydrophobicContact CG2-CG 3.73Å
27	A	96.4	Very high	96.8	Very high	22 Å²	22	85.7 Å²	85.7	18%	0.182	46%	0.461	C	S	.	.			trans	-67.1	148.5	167.3	0	0	0	0	0	110.9	T29 C85 E86 E88	A27-T29 WeakPolarHBondContact CB-O 3.42Å; A27-C85 HydrophobicContact CB-CB 3.57Å; A27-E86 WeakPolarHBondContact CB-O 3.4Å; A27-E88 HydrophobicContact CB-CB 4.47Å
28	T	95.6	Very high	97.3	Very high	147 Å²	147	83.3 Å²	83.3	90%	0.902	44%	0.441	S	S	*	.	S	Bend	trans	-70.4	-37.7	176.4	-56.6	0	0	0	0	111.6
29	T	95.7	Very high	97.4	Very high	98 Å²	98	80.9 Å²	80.9	60%	0.601	43%	0.427	S	S	*	.			trans	-127.6	157.2	172	58.3	0	0	0	0	109.1	A27	A27-T29 WeakPolarHBondContact CB-O 3.42Å
30	C	96.5	Very high	97.5	Very high	50 Å²	50	80.2 Å²	80.2	34%	0.338	42%	0.424	S	S	.	.			trans	-148.6	69.5	179.7	-173	0	0	0	0	110.9	K33 C85	C30-K33 VanDerWaalsContact SG-CE 3.59Å; C30-K33 VanDerWaalsContact SG-CG 3.54Å; C30-C85 HydrophobicContact CB-CB 3.72Å; C30-C85 WeakPolarHBondContact CB-SG 3.33Å; C30-C85 WeakPolarHBondContact SG-CB 3.49Å; C30-C85 CovalentContact SG-SG 2.02Å; C30-C85 PolarHBondContact SG-SG 3.11Å
31	D	93.8	Very high	97.5	Very high	151 Å²	151	75.4 Å²	75.4	81%	0.807	40%	0.403	S	S	*	.	S	Bend	trans	-81	-32.1	-178.9	-53.7	-46.1	0	0	0	111.4
32	T	96	Very high	97.5	Very high	61 Å²	61	71.5 Å²	71.5	37%	0.374	38%	0.383	S	S	.	.			trans	-120	132.8	174.7	-59.3	0	0	0	0	110.3	I128	T32-I128 HydrophobicContact CG2-CB 4.47Å; T32-I128 HydrophobicContact CG2-CD1 3.88Å; T32-I128 HydrophobicContact CG2-CG2 4.16Å
33	K	98.3	Very high	97.5	Very high	124 Å²	124	76 Å²	76	54%	0.539	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-111.4	142.5	171.9	-69.2	-176.5	-178.9	-179	0	110	C30 M84 R130	C30-K33 VanDerWaalsContact SG-CE 3.59Å; C30-K33 VanDerWaalsContact SG-CG 3.54Å; K33-M84 WeakPolarHBondContact CA-O 3.34Å; K33-R130 PolarHBondContact O-NH2 2.65Å
34	S	98.5	Very high	97.5	Very high	4 Å²	4	72.9 Å²	72.9	3%	0.028	37%	0.373	C	S	.	.			trans	-61.3	139.4	174.8	58.9	0	0	0	0	111.3	D38 L81 G83 M84	S34-D38 WeakPolarHBondContact CA-OD2 3.35Å; S34-L81 PolarHBondContact OG-O 2.97Å; S34-G83 PolarHBondContact O-N 2.73Å; S34-G83 PolarHBondContact OG-N 3.12Å; S34-G83 VanDerWaalsContact OG-N 3.16Å; S34-M84 PolarHBondContact N-O 2.89Å; S34-M84 PolarHBondContact OG-N 3.18Å; S34-M84 PolarHBondContact OG-O 2.84Å
35	K	98.3	Very high	97.4	Very high	116 Å²	116	70.1 Å²	70.1	50%	0.504	36%	0.361	S	S	.	.			trans	-146.5	167.7	172.6	66.8	-178.5	-175	-175.5	0	110.3	G37 D38	K35-G37 PolarHBondContact O-N 3.19Å; K35-D38 PolarHBondContact N-OD2 2.83Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 2.69Å; K35-D38 VanDerWaalsContact O-N 3.1Å
36	N	97.9	Very high	97.3	Very high	94 Å²	94	65.1 Å²	65.1	50%	0.503	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	136.4	176.9	-65.9	-1.5	0	0	0	111.2	L68 Q82	N36-L68 CarbonylContact C-O 3.48Å; N36-L68 WeakPolarHBondContact CA-O 3.03Å; N36-Q82 PolarHBondContact OD1-NE2 2.02Å
37	G	97.3	Very high	97.3	Very high	43 Å²	43	58.7 Å²	58.7	44%	0.443	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	93	-12.3	-175.2	0	0	0	0	0	114.7	K35 L68	K35-G37 PolarHBondContact O-N 3.19Å; G37-L68 PolarHBondContact N-O 2.67Å
38	D	98.2	Very high	97.3	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.011	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-75.4	144.8	170.9	-64.1	-21.2	0	0	0	110.6	S34 K35 L40 S67 L68 I128 R130	S34-D38 WeakPolarHBondContact CA-OD2 3.35Å; K35-D38 PolarHBondContact N-OD2 2.83Å; K35-D38 WeakPolarHBondContact O-CB 3.5Å; K35-D38 PolarHBondContact O-N 2.69Å; K35-D38 VanDerWaalsContact O-N 3.1Å; D38-L40 HydrophobicContact CB-CD2 4Å; D38-S67 WeakPolarHBondContact O-CA 3.45Å; D38-L68 PolarHBondContact O-N 3.39Å; D38-I128 HydrophobicContact CB-CG2 3.91Å; D38-I128 WeakPolarHBondContact OD2-CG2 3.28Å; D38-R130 IonicContact OD1-CZ 3.68Å; D38-R130 IonicContact OD1-NE 3.13Å; D38-R130 PolarHBondContact OD1-NE 2.73Å; D38-R130 IonicContact OD1-NH2 2.76Å; D38-R130 PolarHBondContact OD1-NH2 2.77Å; D38-R130 VanDerWaalsContact OD1-NH2 3.13Å; D38-R130 IonicContact OD2-CZ 3.67Å; D38-R130 IonicContact OD2-NE 2.8Å; D38-R130 IonicContact OD2-NH2 2.83Å; D38-R130 PolarHBondContact OD2-NH2 2.79Å
39	I	98.4	Very high	97.3	Very high	41 Å²	41	56.7 Å²	56.7	21%	0.21	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	118.3	164.6	-60.2	170.5	0	0	0	107.2	A65 F66 E129 P131	I39-A65 HydrophobicContact CG2-CB 4.38Å; I39-F66 WeakPolarHBondContact CA-O 3.35Å; I39-E129 HydrophobicContact CB-CB 4.11Å; I39-E129 PolarHBondContact N-O 2.84Å; I39-E129 PolarHBondContact O-N 2.83Å; I39-P131 HydrophobicContact CD1-CG 4.25Å
40	L	98.6	Very high	97.2	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.8	178.4	-56.8	-170	0	0	0	109.9	D38 V42 A65 F66 L68 L81 L125 I128	D38-L40 HydrophobicContact CB-CD2 4Å; L40-V42 HydrophobicContact CB-CG1 4.22Å; L40-A65 WeakPolarHBondContact O-CA 3.39Å; L40-F66 HydrophobicContact CB-CE1 3.99Å; L40-F66 HydrophobicContact CB-CZ 4.14Å; L40-F66 HydrophobicContact CD1-CZ 4.02Å; L40-F66 HydrophobicContact CG-CZ 4.46Å; L40-F66 PolarHBondContact N-O 2.88Å; L40-F66 PolarHBondContact O-N 3.18Å; L40-L68 HydrophobicContact CD1-CB 4.2Å; L40-L68 HydrophobicContact CD1-CD1 4.46Å; L40-L68 HydrophobicContact CD1-CD2 4.08Å; L40-L68 HydrophobicContact CD1-CG 4.48Å; L40-L68 HydrophobicContact CG-CB 4.25Å; L40-L81 HydrophobicContact CD1-CB 4.28Å; L40-L125 HydrophobicContact CB-CD1 3.98Å; L40-L125 HydrophobicContact CD1-CD1 4.45Å; L40-L125 HydrophobicContact CD2-CD1 4.04Å; L40-L125 HydrophobicContact CG-CD1 4.38Å; L40-I128 HydrophobicContact CD2-CG1 4.02Å; L40-I128 HydrophobicContact CD2-CG2 4.37Å
41	H	98.3	Very high	97.2	Very high	45 Å²	45	57.5 Å²	57.5	21%	0.208	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117	170.4	-60.9	-104.9	0	0	0	108.3	L126 K127 E129	H41-L126 WeakPolarHBondContact O-CA 3.43Å; H41-L126 WeakPolarHBondContact O-CB 3.23Å; H41-L126 PolarHBondContact O-N 3.17Å; H41-K127 HydrophobicContact CB-CB 4.04Å; H41-K127 PolarHBondContact N-O 3.32Å; H41-K127 PolarHBondContact O-N 3.46Å; H41-E129 IonicContact CE1-OE2 3.71Å; H41-E129 IonicContact NE2-OE2 2.68Å; H41-E129 PolarHBondContact NE2-OE2 2.79Å
42	V	98.6	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149	-172.7	-58.4	0	0	0	0	112.6	L40 Y44 P63 F64 F66 W77 I123 E124 L125	L40-V42 HydrophobicContact CB-CG1 4.22Å; V42-Y44 HydrophobicContact CG2-CD1 4.33Å; V42-P63 WeakPolarHBondContact O-CA 3.29Å; V42-F64 HydrophobicContact CG2-CB 4.28Å; V42-F64 HydrophobicContact CG2-CD1 4.31Å; V42-F64 WeakPolarHBondContact CG2-O 3.5Å; V42-F64 PolarHBondContact N-O 2.85Å; V42-F64 PolarHBondContact O-N 2.78Å; V42-F66 HydrophobicContact CG1-CE1 4.31Å; V42-F66 HydrophobicContact CG2-CE1 4.18Å; V42-W77 HydrophobicContact CG2-CH2 4.29Å; V42-W77 HydrophobicContact CG2-CZ3 3.94Å; V42-I123 HydrophobicContact CB-CG2 3.84Å; V42-I123 HydrophobicContact CG1-CG2 3.96Å; V42-I123 HydrophobicContact CG2-CG2 4.28Å; V42-E124 CarbonylContact C-O 3.6Å; V42-E124 VanDerWaalsContact CA-O 3.23Å; V42-E124 WeakPolarHBondContact CA-O 3.42Å; V42-E124 WeakPolarHBondContact CB-O 3.43Å; V42-L125 HydrophobicContact CG1-CD1 3.98Å
43	R	98.3	Very high	97.1	Very high	127 Å²	127	55.2 Å²	55.2	48%	0.479	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141.6	155.3	-78.4	179.4	-177.9	129.8	-1.2	108.6	T57 I123 E124 L126	R43-T57 WeakPolarHBondContact CA-OG1 3.49Å; R43-I123 CarbonylContact O-C 3.59Å; R43-I123 WeakPolarHBondContact O-CA 3.47Å; R43-E124 HydrophobicContact CB-CB 4.31Å; R43-E124 PolarHBondContact N-O 2.76Å; R43-E124 IonicContact NH1-OE2 3.95Å; R43-E124 PolarHBondContact O-N 3.45Å; R43-L126 HydrophobicContact CG-CD1 3.87Å; R43-L126 HydrophobicContact CG-CD2 4.34Å; R43-L126 HydrophobicContact CG-CG 4.44Å
44	Y	97.9	Very high	96.8	Very high	21 Å²	21	50.5 Å²	50.5	8%	0.082	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163	175.7	72.7	-89.3	0	0	0	113.7	V42 D55 S56 T57 R60 F64 W77 F121 E122	V42-Y44 HydrophobicContact CG2-CD1 4.33Å; Y44-D55 HydrophobicContact CE2-CB 4.22Å; Y44-D55 WeakPolarHBondContact CE2-OD2 3.36Å; Y44-D55 VanDerWaalsContact OH-CG 3.32Å; Y44-D55 PolarHBondContact OH-OD2 3.08Å; Y44-S56 VanDerWaalsContact O-CA 3.29Å; Y44-S56 WeakPolarHBondContact O-CA 3.4Å; Y44-S56 VanDerWaalsContact O-CB 3.3Å; Y44-S56 WeakPolarHBondContact O-CB 3.49Å; Y44-T57 HydrophobicContact CD1-CG2 3.48Å; Y44-T57 VanDerWaalsContact CD1-CG2 3.48Å; Y44-T57 HydrophobicContact CE1-CG2 3.52Å; Y44-T57 HydrophobicContact CG-CG2 4.41Å; Y44-T57 PolarHBondContact N-OG1 3.44Å; Y44-T57 PolarHBondContact O-N 2.95Å; Y44-T57 VanDerWaalsContact O-N 3.08Å; Y44-T57 PolarHBondContact O-OG1 2.79Å; Y44-R60 PolarHBondContact OH-NH2 3.12Å; Y44-F64 HydrophobicContact CD1-CB 4.25Å; Y44-F64 HydrophobicContact CE1-CB 3.78Å; Y44-F64 HydrophobicContact CE1-CD1 4.21Å; Y44-F64 HydrophobicContact CE1-CG 4.13Å; Y44-W77 AromaticContact CD1-CH2 3.49Å; Y44-W77 HydrophobicContact CD1-CH2 3.49Å; Y44-W77 VanDerWaalsContact CD1-CH2 3.49Å; Y44-W77 HydrophobicContact CD1-CZ2 4.22Å; Y44-W77 HydrophobicContact CD1-CZ3 4.48Å; Y44-W77 HydrophobicContact CD2-CH2 4.09Å; Y44-W77 AromaticContact CD2-CZ2 3.97Å; Y44-W77 HydrophobicContact CD2-CZ2 3.97Å; Y44-W77 AromaticContact CE1-CH2 3.86Å; Y44-W77 HydrophobicContact CE1-CH2 3.86Å; Y44-W77 HydrophobicContact CE2-CH2 4.44Å; Y44-W77 HydrophobicContact CE2-CZ2 4.4Å; Y44-W77 AromaticContact CG-CH2 3.59Å; Y44-W77 HydrophobicContact CG-CH2 3.59Å; Y44-W77 AromaticContact CG-CZ2 3.87Å; Y44-W77 HydrophobicContact CG-CZ2 3.87Å; Y44-F121 HydrophobicContact CD2-CD1 4.05Å; Y44-F121 HydrophobicContact CD2-CE1 4.14Å; Y44-F121 HydrophobicContact CE2-CE1 4.31Å; Y44-E122 CarbonylContact C-O 3.59Å; Y44-E122 WeakPolarHBondContact CA-O 3.4Å; Y44-E122 WeakPolarHBondContact CB-O 3.42Å
45	K	97	Very high	96.6	Very high	58 Å²	58	52.5 Å²	52.5	25%	0.252	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.3	165	177.6	171.9	59.8	171.9	0	109.3	M47 E53 F121 E122	K45-M47 HydrophobicContact CD-CG 4.44Å; K45-M47 HydrophobicContact CD-SD 4.21Å; K45-M47 HydrophobicContact CG-CG 4.22Å; K45-M47 HydrophobicContact CG-SD 4.43Å; K45-E53 HydrophobicContact CD-CG 4.32Å; K45-E53 WeakPolarHBondContact CD-OE2 3.01Å; K45-E53 HydrophobicContact CG-CG 4Å; K45-F121 CarbonylContact O-C 3.58Å; K45-F121 VanDerWaalsContact O-CA 3.32Å; K45-F121 WeakPolarHBondContact O-CA 3.01Å; K45-E122 PolarHBondContact N-O 2.82Å; K45-E122 PolarHBondContact O-N 2.87Å
46	G	96.9	Very high	96.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	131.9	174.7	0	0	0	0	0	111.3	E53 F54 D55 T120	G46-E53 WeakPolarHBondContact O-CA 3.07Å; G46-F54 WeakPolarHBondContact O-CD1 3.24Å; G46-F54 PolarHBondContact O-N 2.73Å; G46-D55 PolarHBondContact N-O 2.63Å; G46-T120 CarbonylContact C-O 3.56Å
47	M	97	Very high	96.2	Very high	27 Å²	27	42.8 Å²	42.8	13%	0.133	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.5	-179.5	-64.6	161.8	-67.3	0	0	111.2	K45 T52 E53 F54 T120 E122	K45-M47 HydrophobicContact CD-CG 4.44Å; K45-M47 HydrophobicContact CD-SD 4.21Å; K45-M47 HydrophobicContact CG-CG 4.22Å; K45-M47 HydrophobicContact CG-SD 4.43Å; M47-T52 CarbonylContact C-O 3.56Å; M47-T52 VanDerWaalsContact CA-O 3.23Å; M47-T52 WeakPolarHBondContact CA-O 3.06Å; M47-E53 HydrophobicContact CG-CB 4.45Å; M47-F54 VanDerWaalsContact N-CE1 3.26Å; M47-T120 HydrophobicContact CE-CG2 4.05Å; M47-T120 PolarHBondContact N-O 3.16Å; M47-T120 PolarHBondContact O-N 2.89Å; M47-E122 HydrophobicContact CE-CG 4.24Å
48	L	96.7	Very high	95.8	Very high	35 Å²	35	47.7 Å²	47.7	18%	0.183	25%	0.251	C	S	.	.			trans	-70.8	169.4	165.5	-57.6	-179.6	0	0	0	110	D50 G51 T52 F54 I113 L119	L48-D50 WeakPolarHBondContact CB-OD1 3.08Å; L48-D50 PolarHBondContact O-N 2.97Å; L48-G51 PolarHBondContact O-N 3.22Å; L48-T52 HydrophobicContact CD1-CG2 4.45Å; L48-T52 PolarHBondContact N-O 2.89Å; L48-F54 HydrophobicContact CD2-CD1 3.89Å; L48-F54 HydrophobicContact CD2-CE1 4.46Å; L48-F54 HydrophobicContact CG-CD1 4.15Å; L48-I113 HydrophobicContact CD2-CG1 4.29Å; L48-I113 HydrophobicContact CD2-CG2 4.4Å; L48-L119 HydrophobicContact CD2-CD2 3.98Å
49	S	95.1	Very high	95	Very high	93 Å²	93	51.8 Å²	51.8	65%	0.65	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.1	-177.3	-68.7	0	0	0	0	114	G51 T118	S49-G51 VanDerWaalsContact C-N 3.31Å; S49-T118 PolarHBondContact OG-O 2.86Å
50	D	94.4	Very high	94.4	Very high	118 Å²	118	54.8 Å²	54.8	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.5	173	67.4	-5.3	0	0	0	113.4	L48 T52	L48-D50 WeakPolarHBondContact CB-OD1 3.08Å; L48-D50 PolarHBondContact O-N 2.97Å; D50-T52 VanDerWaalsContact CG-OG1 3.27Å; D50-T52 WeakPolarHBondContact OD1-CB 3.37Å; D50-T52 PolarHBondContact OD1-N 2.86Å; D50-T52 PolarHBondContact OD1-OG1 2.8Å; D50-T52 PolarHBondContact OD2-OG1 3.13Å; D50-T52 VanDerWaalsContact OD2-OG1 3.06Å
51	G	95	Very high	93.7	Very high	47 Å²	47	62.1 Å²	62.1	49%	0.485	33%	0.333	S	S	.	.	S	Bend	trans	90.4	-2.5	-177.7	0	0	0	0	0	114.8	L48 S49 E53	L48-G51 PolarHBondContact O-N 3.22Å; S49-G51 VanDerWaalsContact C-N 3.31Å; G51-E53 PolarHBondContact O-N 3.28Å
52	T	94.1	Very high	93.4	Very high	70 Å²	70	65.7 Å²	65.7	43%	0.429	35%	0.35	S	S	.	.			trans	-62.6	120	175.2	-60.3	0	0	0	0	109.8	M47 L48 D50	M47-T52 CarbonylContact C-O 3.56Å; M47-T52 VanDerWaalsContact CA-O 3.23Å; M47-T52 WeakPolarHBondContact CA-O 3.06Å; L48-T52 HydrophobicContact CD1-CG2 4.45Å; L48-T52 PolarHBondContact N-O 2.89Å; D50-T52 VanDerWaalsContact CG-OG1 3.27Å; D50-T52 WeakPolarHBondContact OD1-CB 3.37Å; D50-T52 PolarHBondContact OD1-N 2.86Å; D50-T52 PolarHBondContact OD1-OG1 2.8Å; D50-T52 PolarHBondContact OD2-OG1 3.13Å; D50-T52 VanDerWaalsContact OD2-OG1 3.06Å
53	E	93.8	Very high	93.3	Very high	93 Å²	93	68.5 Å²	68.5	44%	0.435	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	129.4	172.5	-177.4	174.1	146.4	0	0	109.8	K45 G46 M47 G51 S56	K45-E53 HydrophobicContact CD-CG 4.32Å; K45-E53 WeakPolarHBondContact CD-OE2 3.01Å; K45-E53 HydrophobicContact CG-CG 4Å; G46-E53 WeakPolarHBondContact O-CA 3.07Å; M47-E53 HydrophobicContact CG-CB 4.45Å; G51-E53 PolarHBondContact O-N 3.28Å; E53-S56 WeakPolarHBondContact OE1-CB 3.33Å; E53-S56 PolarHBondContact OE1-OG 2.82Å
54	F	93	Very high	93.3	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-22	178.1	68.6	-104.1	0	0	0	112.5	G46 M47 L48 L111 I113 L119 F121	G46-F54 WeakPolarHBondContact O-CD1 3.24Å; G46-F54 PolarHBondContact O-N 2.73Å; M47-F54 VanDerWaalsContact N-CE1 3.26Å; L48-F54 HydrophobicContact CD2-CD1 3.89Å; L48-F54 HydrophobicContact CD2-CE1 4.46Å; L48-F54 HydrophobicContact CG-CD1 4.15Å; F54-L111 HydrophobicContact CB-CD1 3.8Å; F54-L111 HydrophobicContact CD2-CD1 3.86Å; F54-L111 HydrophobicContact CG-CD1 4.27Å; F54-L111 VanDerWaalsContact O-CD1 3.25Å; F54-L111 WeakPolarHBondContact O-CD1 3.16Å; F54-I113 HydrophobicContact CD2-CD1 3.9Å; F54-I113 HydrophobicContact CD2-CG1 4.49Å; F54-I113 HydrophobicContact CE2-CD1 3.94Å; F54-I113 HydrophobicContact CG-CD1 4.28Å; F54-I113 HydrophobicContact CG-CG1 4.45Å; F54-I113 HydrophobicContact CZ-CD1 4.33Å; F54-L119 HydrophobicContact CE1-CB 4.38Å; F54-L119 HydrophobicContact CE1-CD1 4.4Å; F54-L119 HydrophobicContact CE1-CD2 3.81Å; F54-L119 HydrophobicContact CE1-CG 4.42Å; F54-L119 HydrophobicContact CZ-CD1 3.98Å; F54-L119 HydrophobicContact CZ-CD2 4.22Å; F54-L119 HydrophobicContact CZ-CG 4.47Å; F54-F121 HydrophobicContact CE2-CE1 4.25Å; F54-F121 HydrophobicContact CE2-CZ 4.03Å; F54-F121 AromaticContact CZ-CE1 3.87Å; F54-F121 HydrophobicContact CZ-CE1 3.87Å; F54-F121 HydrophobicContact CZ-CE2 4.04Å; F54-F121 AromaticContact CZ-CZ 3.47Å; F54-F121 HydrophobicContact CZ-CZ 3.47Å; F54-F121 VanDerWaalsContact CZ-CZ 3.47Å
55	D	93.3	Very high	93.3	Very high	46 Å²	46	67.1 Å²	67.1	25%	0.246	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	147.7	178.4	-172.1	18.3	0	0	0	111.6	Y44 G46 R60	Y44-D55 HydrophobicContact CE2-CB 4.22Å; Y44-D55 WeakPolarHBondContact CE2-OD2 3.36Å; Y44-D55 VanDerWaalsContact OH-CG 3.32Å; Y44-D55 PolarHBondContact OH-OD2 3.08Å; G46-D55 PolarHBondContact N-O 2.63Å; D55-R60 IonicContact OD1-CZ 3.79Å; D55-R60 IonicContact OD1-NH1 3.77Å; D55-R60 PolarHBondContact OD1-NH1 3.05Å; D55-R60 IonicContact OD1-NH2 2.69Å
56	S	94.6	Very high	93.3	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	156.1	170.9	67.1	0	0	0	0	112.6	Y44 E53 Q58 R60	Y44-S56 VanDerWaalsContact O-CA 3.29Å; Y44-S56 WeakPolarHBondContact O-CA 3.4Å; Y44-S56 VanDerWaalsContact O-CB 3.3Å; Y44-S56 WeakPolarHBondContact O-CB 3.49Å; E53-S56 WeakPolarHBondContact OE1-CB 3.33Å; E53-S56 PolarHBondContact OE1-OG 2.82Å; S56-Q58 VanDerWaalsContact C-N 3.26Å; S56-R60 PolarHBondContact O-NH1 3.29Å
57	T	94.3	Very high	93.4	Very high	4 Å²	4	66.4 Å²	66.4	3%	0.025	38%	0.377	C	S	.	.	S	Bend	trans	-71.1	-22.9	170.2	48.7	0	0	0	0	112.6	R43 Y44 A59 R60 D61 E62 F64	R43-T57 WeakPolarHBondContact CA-OG1 3.49Å; Y44-T57 HydrophobicContact CD1-CG2 3.48Å; Y44-T57 VanDerWaalsContact CD1-CG2 3.48Å; Y44-T57 HydrophobicContact CE1-CG2 3.52Å; Y44-T57 HydrophobicContact CG-CG2 4.41Å; Y44-T57 PolarHBondContact N-OG1 3.44Å; Y44-T57 PolarHBondContact O-N 2.95Å; Y44-T57 VanDerWaalsContact O-N 3.08Å; Y44-T57 PolarHBondContact O-OG1 2.79Å; T57-A59 VanDerWaalsContact C-N 3.25Å; T57-A59 PolarHBondContact O-N 2.92Å; T57-R60 PolarHBondContact O-N 2.92Å; T57-R60 VanDerWaalsContact O-N 3.08Å; T57-D61 PolarHBondContact O-N 2.73Å; T57-E62 VanDerWaalsContact CB-O 3.3Å; T57-E62 WeakPolarHBondContact CB-O 3.3Å; T57-E62 WeakPolarHBondContact CG2-O 3.09Å; T57-F64 HydrophobicContact CG2-CB 3.9Å
58	Q	88.3	Confident	93.5	Very high	146 Å²	146	65.2 Å²	65.2	68%	0.682	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-61.9	-36.4	179	-71.2	176.7	60.2	0	0	111.5	S56 R60 D61	S56-Q58 VanDerWaalsContact C-N 3.26Å; Q58-R60 PolarHBondContact O-N 2.85Å; Q58-D61 PolarHBondContact O-N 2.75Å
59	A	82.3	Confident	93.5	Very high	87 Å²	87	65.7 Å²	65.7	72%	0.719	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-65.3	-22.9	176.4	0	0	0	0	0	113.7	T57	T57-A59 VanDerWaalsContact C-N 3.25Å; T57-A59 PolarHBondContact O-N 2.92Å
60	R	84.3	Confident	93.6	Very high	105 Å²	105	64.2 Å²	64.2	40%	0.396	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-105	-7.7	-178.7	-64.1	-173.5	-69.7	-85.7	2.6	113.9	Y44 D55 S56 T57 Q58 E62	Y44-R60 PolarHBondContact OH-NH2 3.12Å; D55-R60 IonicContact OD1-CZ 3.79Å; D55-R60 IonicContact OD1-NH1 3.77Å; D55-R60 PolarHBondContact OD1-NH1 3.05Å; D55-R60 IonicContact OD1-NH2 2.69Å; S56-R60 PolarHBondContact O-NH1 3.29Å; T57-R60 PolarHBondContact O-N 2.92Å; T57-R60 VanDerWaalsContact O-N 3.08Å; Q58-R60 PolarHBondContact O-N 2.85Å; R60-E62 HydrophobicContact CB-CG 4.12Å; R60-E62 PolarHBondContact O-N 2.85Å; R60-E62 VanDerWaalsContact O-N 3.08Å
61	D	85	Confident	93.8	Very high	155 Å²	155	61.6 Å²	61.6	83%	0.829	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	19.7	-175.9	-157.1	30.9	0	0	0	115.3	T57 Q58	T57-D61 PolarHBondContact O-N 2.73Å; Q58-D61 PolarHBondContact O-N 2.75Å
62	E	91.3	Very high	93.9	Very high	120 Å²	120	65.3 Å²	65.3	56%	0.561	38%	0.379	S	S	*	.	S	Bend	trans	-133.8	142.4	178.1	67.6	-177.7	175.3	0	0	111.7	T57 R60	T57-E62 VanDerWaalsContact CB-O 3.3Å; T57-E62 WeakPolarHBondContact CB-O 3.3Å; T57-E62 WeakPolarHBondContact CG2-O 3.09Å; R60-E62 HydrophobicContact CB-CG 4.12Å; R60-E62 PolarHBondContact O-N 2.85Å; R60-E62 VanDerWaalsContact O-N 3.08Å
63	P	96.1	Very high	94.1	Very high	58 Å²	58	63.1 Å²	63.1	38%	0.377	37%	0.366	S	S	.	.			trans	-59	148	168.3	-23.1	35	0	0	0	111.7	V42 L126	V42-P63 WeakPolarHBondContact O-CA 3.29Å; P63-L126 HydrophobicContact CB-CD1 3.68Å; P63-L126 HydrophobicContact CG-CD1 3.54Å
64	F	98.1	Very high	94.3	Very high	70 Å²	70	60 Å²	60	31%	0.307	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.6	170.5	179	-115.3	0	0	0	109.8	V42 Y44 T57 F66 V73 W77	V42-F64 HydrophobicContact CG2-CB 4.28Å; V42-F64 HydrophobicContact CG2-CD1 4.31Å; V42-F64 WeakPolarHBondContact CG2-O 3.5Å; V42-F64 PolarHBondContact N-O 2.85Å; V42-F64 PolarHBondContact O-N 2.78Å; Y44-F64 HydrophobicContact CD1-CB 4.25Å; Y44-F64 HydrophobicContact CE1-CB 3.78Å; Y44-F64 HydrophobicContact CE1-CD1 4.21Å; Y44-F64 HydrophobicContact CE1-CG 4.13Å; T57-F64 HydrophobicContact CG2-CB 3.9Å; F64-F66 AromaticContact CD1-CD1 3.85Å; F64-F66 HydrophobicContact CD1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CB 3.87Å; F64-F66 AromaticContact CE1-CD1 3.68Å; F64-F66 HydrophobicContact CE1-CD1 3.68Å; F64-F66 HydrophobicContact CE1-CG 4.01Å; F64-F66 HydrophobicContact CZ-CB 4.09Å; F64-V73 HydrophobicContact CE1-CG1 3.78Å; F64-V73 HydrophobicContact CZ-CG1 4.24Å; F64-W77 HydrophobicContact CD1-CH2 4.47Å; F64-W77 HydrophobicContact CD1-CZ3 4.06Å; F64-W77 HydrophobicContact CE1-CZ3 4.29Å
65	A	97.8	Very high	94.6	Very high	49 Å²	49	61.9 Å²	61.9	41%	0.405	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.9	178.2	0	0	0	0	0	110.8	I39 L40	I39-A65 HydrophobicContact CG2-CB 4.38Å; L40-A65 WeakPolarHBondContact O-CA 3.39Å
66	F	98.3	Very high	94.8	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.022	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	158.7	176.4	71.8	-79	0	0	0	111	I39 L40 V42 F64 L68 V73 W77 L81	I39-F66 WeakPolarHBondContact CA-O 3.35Å; L40-F66 HydrophobicContact CB-CE1 3.99Å; L40-F66 HydrophobicContact CB-CZ 4.14Å; L40-F66 HydrophobicContact CD1-CZ 4.02Å; L40-F66 HydrophobicContact CG-CZ 4.46Å; L40-F66 PolarHBondContact N-O 2.88Å; L40-F66 PolarHBondContact O-N 3.18Å; V42-F66 HydrophobicContact CG1-CE1 4.31Å; V42-F66 HydrophobicContact CG2-CE1 4.18Å; F64-F66 AromaticContact CD1-CD1 3.85Å; F64-F66 HydrophobicContact CD1-CD1 3.85Å; F64-F66 HydrophobicContact CE1-CB 3.87Å; F64-F66 AromaticContact CE1-CD1 3.68Å; F64-F66 HydrophobicContact CE1-CD1 3.68Å; F64-F66 HydrophobicContact CE1-CG 4.01Å; F64-F66 HydrophobicContact CZ-CB 4.09Å; F66-L68 HydrophobicContact CE2-CB 4.47Å; F66-L68 HydrophobicContact CE2-CD1 4.2Å; F66-V73 HydrophobicContact CB-CG1 4.11Å; F66-V73 HydrophobicContact CD1-CG1 4.28Å; F66-V73 HydrophobicContact CD2-CB 4.41Å; F66-V73 HydrophobicContact CD2-CG1 3.72Å; F66-V73 HydrophobicContact CD2-CG2 3.74Å; F66-V73 HydrophobicContact CE2-CG1 4.24Å; F66-V73 HydrophobicContact CE2-CG2 3.63Å; F66-V73 HydrophobicContact CG-CG1 3.76Å; F66-V73 HydrophobicContact CZ-CG2 4.38Å; F66-W77 HydrophobicContact CD1-CZ3 4.41Å; F66-W77 AromaticContact CE1-CE3 3.9Å; F66-W77 HydrophobicContact CE1-CE3 3.9Å; F66-W77 AromaticContact CE1-CZ3 3.89Å; F66-W77 HydrophobicContact CE1-CZ3 3.89Å; F66-W77 AromaticContact CZ-CE3 3.99Å; F66-W77 HydrophobicContact CZ-CE3 3.99Å; F66-W77 HydrophobicContact CZ-CZ3 4.44Å; F66-L81 HydrophobicContact CE1-CD1 4.25Å; F66-L81 HydrophobicContact CZ-CD1 3.64Å
67	S	98.2	Very high	95	Very high	39 Å²	39	60 Å²	60	27%	0.273	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	116.4	177.2	-65	0	0	0	0	110.7	D38 G69 S70	D38-S67 WeakPolarHBondContact O-CA 3.45Å; S67-G69 PolarHBondContact O-N 2.86Å; S67-S70 WeakPolarHBondContact O-CB 3.32Å; S67-S70 PolarHBondContact O-N 3.1Å; S67-S70 PolarHBondContact O-OG 2.52Å
68	L	98.5	Very high	95.2	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	133.9	178.4	-175.4	65.5	0	0	0	110.8	N36 G37 D38 L40 F66 S70 L81 Q82	N36-L68 CarbonylContact C-O 3.48Å; N36-L68 WeakPolarHBondContact CA-O 3.03Å; G37-L68 PolarHBondContact N-O 2.67Å; D38-L68 PolarHBondContact O-N 3.39Å; L40-L68 HydrophobicContact CD1-CB 4.2Å; L40-L68 HydrophobicContact CD1-CD1 4.46Å; L40-L68 HydrophobicContact CD1-CD2 4.08Å; L40-L68 HydrophobicContact CD1-CG 4.48Å; L40-L68 HydrophobicContact CG-CB 4.25Å; F66-L68 HydrophobicContact CE2-CB 4.47Å; F66-L68 HydrophobicContact CE2-CD1 4.2Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-L81 HydrophobicContact CD1-CB 4.42Å; L68-Q82 HydrophobicContact CD2-CG 4.2Å
69	G	98.1	Very high	95.7	Very high	44 Å²	44	58.3 Å²	58.3	45%	0.454	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	9.6	-178	0	0	0	0	0	114.4	S67 E78	S67-G69 PolarHBondContact O-N 2.86Å; G69-E78 WeakPolarHBondContact CA-OE2 3.33Å; G69-E78 PolarHBondContact N-OE2 3.24Å
70	S	97.6	Very high	96.5	Very high	63 Å²	63	54.2 Å²	54.2	44%	0.441	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-14.3	-179.2	68.7	0	0	0	0	114.2	S67 L68 Q72	S67-S70 WeakPolarHBondContact O-CB 3.32Å; S67-S70 PolarHBondContact O-N 3.1Å; S67-S70 PolarHBondContact O-OG 2.52Å; L68-S70 VanDerWaalsContact C-N 3.35Å; S70-Q72 VanDerWaalsContact C-N 3.32Å; S70-Q72 WeakPolarHBondContact OG-CB 3.17Å; S70-Q72 WeakPolarHBondContact OG-CG 3.47Å; S70-Q72 PolarHBondContact OG-N 2.59Å; S70-Q72 PolarHBondContact OG-OE1 3.16Å
71	G	97.6	Very high	97.2	Very high	62 Å²	62	49.2 Å²	49.2	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	15.7	-173.7	0	0	0	0	0	113.5	V73 E78	G71-V73 VanDerWaalsContact C-N 3.29Å; G71-E78 VanDerWaalsContact CA-OE1 3.32Å; G71-E78 WeakPolarHBondContact CA-OE1 3.49Å; G71-E78 PolarHBondContact N-OE1 2.98Å
72	Q	97.7	Very high	97.8	Very high	126 Å²	126	46.3 Å²	46.3	59%	0.589	28%	0.276	S	S	*	.	S	Bend	trans	-72.2	-23.9	175.2	-78.8	176.4	-24.2	0	0	113	S70	S70-Q72 VanDerWaalsContact C-N 3.32Å; S70-Q72 WeakPolarHBondContact OG-CB 3.17Å; S70-Q72 WeakPolarHBondContact OG-CG 3.47Å; S70-Q72 PolarHBondContact OG-N 2.59Å; S70-Q72 PolarHBondContact OG-OE1 3.16Å
73	V	98.3	Very high	98.1	Very high	23 Å²	23	42.1 Å²	42.1	14%	0.139	27%	0.265	C	S	.	.	S	Bend	trans	-121.2	166.9	-179.9	-63.3	0	0	0	0	110.4	F64 F66 G71 W77 E78	F64-V73 HydrophobicContact CE1-CG1 3.78Å; F64-V73 HydrophobicContact CZ-CG1 4.24Å; F66-V73 HydrophobicContact CB-CG1 4.11Å; F66-V73 HydrophobicContact CD1-CG1 4.28Å; F66-V73 HydrophobicContact CD2-CB 4.41Å; F66-V73 HydrophobicContact CD2-CG1 3.72Å; F66-V73 HydrophobicContact CD2-CG2 3.74Å; F66-V73 HydrophobicContact CE2-CG1 4.24Å; F66-V73 HydrophobicContact CE2-CG2 3.63Å; F66-V73 HydrophobicContact CG-CG1 3.76Å; F66-V73 HydrophobicContact CZ-CG2 4.38Å; G71-V73 VanDerWaalsContact C-N 3.29Å; V73-W77 HydrophobicContact CB-CB 4.14Å; V73-W77 HydrophobicContact CB-CE3 4.37Å; V73-W77 HydrophobicContact CG1-CE3 4.23Å; V73-W77 HydrophobicContact CG2-CB 3.61Å; V73-W77 HydrophobicContact CG2-CE3 4.43Å; V73-W77 HydrophobicContact CG2-CG 4.47Å; V73-E78 HydrophobicContact CG2-CG 3.91Å; V73-E78 WeakPolarHBondContact CG2-OE1 3.43Å
74	I	98.2	Very high	98.3	Very high	29 Å²	29	39.4 Å²	39.4	15%	0.149	25%	0.247	C	C	.	.			trans	-57	145.9	177.3	60.3	173.9	0	0	0	111.6	G76 W77 E78 I94 A99 Y100 L119 F121	I74-G76 PolarHBondContact O-N 2.88Å; I74-W77 HydrophobicContact CG1-CB 4.28Å; I74-W77 HydrophobicContact CG1-CG 4.04Å; I74-W77 WeakPolarHBondContact O-CB 3.26Å; I74-W77 PolarHBondContact O-N 2.89Å; I74-E78 PolarHBondContact O-N 3.45Å; I74-I94 HydrophobicContact CD1-CD1 3.81Å; I74-I94 HydrophobicContact CD1-CG2 4.42Å; I74-A99 HydrophobicContact CD1-CB 4.17Å; I74-Y100 HydrophobicContact CG2-CE1 4.25Å; I74-L119 HydrophobicContact CD1-CD1 4.5Å; I74-F121 HydrophobicContact CD1-CE2 3.85Å; I74-F121 HydrophobicContact CD1-CZ 4.18Å
75	S	98.1	Very high	98.3	Very high	63 Å²	63	36.6 Å²	36.6	44%	0.441	24%	0.236	S	C	.	.	H	α-helix	trans	-54.7	-29.5	-176.4	-57.7	0	0	0	0	113.9	W77 E78 K79 L98	S75-W77 VanDerWaalsContact C-N 3.32Å; S75-W77 PolarHBondContact O-N 3.29Å; S75-E78 PolarHBondContact O-N 3.24Å; S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 2.84Å; S75-L98 PolarHBondContact N-O 2.99Å
76	G	98.5	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.2	-32.9	175.9	0	0	0	0	0	113.4	I74 G80 L98	I74-G76 PolarHBondContact O-N 2.88Å; G76-G80 WeakPolarHBondContact O-CA 3.35Å; G76-G80 PolarHBondContact O-N 3.5Å; G76-L98 PolarHBondContact N-O 3Å
77	W	98.8	Very high	98.3	Very high	9 Å²	9	41.1 Å²	41.1	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-73.5	-46.2	171.2	-81.1	45.6	0	0	0	111.1	V42 Y44 F64 F66 V73 I74 S75 K79 G80 L81 F121 I123	V42-W77 HydrophobicContact CG2-CH2 4.29Å; V42-W77 HydrophobicContact CG2-CZ3 3.94Å; Y44-W77 AromaticContact CD1-CH2 3.49Å; Y44-W77 HydrophobicContact CD1-CH2 3.49Å; Y44-W77 VanDerWaalsContact CD1-CH2 3.49Å; Y44-W77 HydrophobicContact CD1-CZ2 4.22Å; Y44-W77 HydrophobicContact CD1-CZ3 4.48Å; Y44-W77 HydrophobicContact CD2-CH2 4.09Å; Y44-W77 AromaticContact CD2-CZ2 3.97Å; Y44-W77 HydrophobicContact CD2-CZ2 3.97Å; Y44-W77 AromaticContact CE1-CH2 3.86Å; Y44-W77 HydrophobicContact CE1-CH2 3.86Å; Y44-W77 HydrophobicContact CE2-CH2 4.44Å; Y44-W77 HydrophobicContact CE2-CZ2 4.4Å; Y44-W77 AromaticContact CG-CH2 3.59Å; Y44-W77 HydrophobicContact CG-CH2 3.59Å; Y44-W77 AromaticContact CG-CZ2 3.87Å; Y44-W77 HydrophobicContact CG-CZ2 3.87Å; F64-W77 HydrophobicContact CD1-CH2 4.47Å; F64-W77 HydrophobicContact CD1-CZ3 4.06Å; F64-W77 HydrophobicContact CE1-CZ3 4.29Å; F66-W77 HydrophobicContact CD1-CZ3 4.41Å; F66-W77 AromaticContact CE1-CE3 3.9Å; F66-W77 HydrophobicContact CE1-CE3 3.9Å; F66-W77 AromaticContact CE1-CZ3 3.89Å; F66-W77 HydrophobicContact CE1-CZ3 3.89Å; F66-W77 AromaticContact CZ-CE3 3.99Å; F66-W77 HydrophobicContact CZ-CE3 3.99Å; F66-W77 HydrophobicContact CZ-CZ3 4.44Å; V73-W77 HydrophobicContact CB-CB 4.14Å; V73-W77 HydrophobicContact CB-CE3 4.37Å; V73-W77 HydrophobicContact CG1-CE3 4.23Å; V73-W77 HydrophobicContact CG2-CB 3.61Å; V73-W77 HydrophobicContact CG2-CE3 4.43Å; V73-W77 HydrophobicContact CG2-CG 4.47Å; I74-W77 HydrophobicContact CG1-CB 4.28Å; I74-W77 HydrophobicContact CG1-CG 4.04Å; I74-W77 WeakPolarHBondContact O-CB 3.26Å; I74-W77 PolarHBondContact O-N 2.89Å; S75-W77 VanDerWaalsContact C-N 3.32Å; S75-W77 PolarHBondContact O-N 3.29Å; W77-K79 PolarHBondContact O-N 2.78Å; W77-G80 PolarHBondContact O-N 2.81Å; W77-L81 HydrophobicContact CB-CD1 4.14Å; W77-L81 HydrophobicContact CD2-CD1 4.05Å; W77-L81 HydrophobicContact CE3-CD1 3.66Å; W77-L81 HydrophobicContact CG-CD1 4.29Å; W77-L81 HydrophobicContact CZ3-CD1 4.39Å; W77-L81 WeakPolarHBondContact O-CB 3.35Å; W77-L81 WeakPolarHBondContact O-CG 3.43Å; W77-L81 PolarHBondContact O-N 2.74Å; W77-F121 AromaticContact CE2-CD1 3.83Å; W77-F121 AromaticContact CE2-CE1 3.89Å; W77-F121 AromaticContact CZ2-CD1 3.52Å; W77-F121 HydrophobicContact CZ2-CD1 3.52Å; W77-F121 AromaticContact CZ2-CE1 3.61Å; W77-F121 HydrophobicContact CZ2-CE1 3.61Å; W77-F121 HydrophobicContact CZ2-CG 4.23Å; W77-F121 HydrophobicContact CZ2-CZ 4.38Å; W77-F121 AromaticContact NE1-CD1 3.54Å; W77-F121 AromaticContact NE1-CD2 3.51Å; W77-F121 AromaticContact NE1-CE1 3.58Å; W77-F121 AromaticContact NE1-CE2 3.54Å; W77-F121 AromaticContact NE1-CG 3.47Å; W77-F121 AromaticContact NE1-CZ 3.55Å; W77-I123 HydrophobicContact CD2-CD1 3.83Å; W77-I123 VanDerWaalsContact CE2-CD1 3.47Å; W77-I123 HydrophobicContact CE3-CD1 4.27Å; W77-I123 HydrophobicContact CG-CD1 4.38Å; W77-I123 HydrophobicContact CH2-CD1 4.09Å; W77-I123 HydrophobicContact CZ2-CD1 3.63Å; W77-I123 HydrophobicContact CZ2-CG1 4.25Å; W77-I123 HydrophobicContact CZ3-CD1 4.39Å
78	E	98.6	Very high	98.3	Very high	21 Å²	21	39.7 Å²	39.7	10%	0.098	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-37.5	179	-62.7	-68.3	-173.5	0	0	112.2	G69 G71 V73 I74 S75 Q82	G69-E78 WeakPolarHBondContact CA-OE2 3.33Å; G69-E78 PolarHBondContact N-OE2 3.24Å; G71-E78 VanDerWaalsContact CA-OE1 3.32Å; G71-E78 WeakPolarHBondContact CA-OE1 3.49Å; G71-E78 PolarHBondContact N-OE1 2.98Å; V73-E78 HydrophobicContact CG2-CG 3.91Å; V73-E78 WeakPolarHBondContact CG2-OE1 3.43Å; I74-E78 PolarHBondContact O-N 3.45Å; S75-E78 PolarHBondContact O-N 3.24Å; E78-Q82 WeakPolarHBondContact O-CG 3.38Å; E78-Q82 PolarHBondContact O-NE2 3.06Å
79	K	98.4	Very high	98.3	Very high	95 Å²	95	40.7 Å²	40.7	41%	0.413	25%	0.251	S	S	.	.	H	α-helix	trans	-81.9	-48.9	173	-70.4	177.4	167.3	-170.6	0	112.6	D18 V19 S75 W77 L81 Q82 L98	D18-K79 WeakPolarHBondContact OD1-CD 3.25Å; D18-K79 IonicContact OD1-NZ 2.73Å; D18-K79 PolarHBondContact OD1-NZ 2.88Å; V19-K79 HydrophobicContact CG1-CB 3.75Å; V19-K79 HydrophobicContact CG1-CD 4.43Å; S75-K79 WeakPolarHBondContact O-CG 3.25Å; S75-K79 PolarHBondContact O-N 2.84Å; W77-K79 PolarHBondContact O-N 2.78Å; K79-L81 PolarHBondContact O-N 3.2Å; K79-Q82 PolarHBondContact O-N 2.79Å; K79-L98 HydrophobicContact CD-CD1 4.17Å; K79-L98 HydrophobicContact CD-CD2 4.37Å
80	G	98.5	Very high	98.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69	-18.9	-168.9	0	0	0	0	0	114.8	G76 W77 R90	G76-G80 WeakPolarHBondContact O-CA 3.35Å; G76-G80 PolarHBondContact O-N 3.5Å; W77-G80 PolarHBondContact O-N 2.81Å; G80-R90 WeakPolarHBondContact O-CD 3.39Å; G80-R90 PolarHBondContact O-NH1 2.83Å
81	L	98.8	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	2.2	-175.7	-61.4	177.3	0	0	0	114.1	S34 L40 F66 L68 W77 K79 M84 L92 I123	S34-L81 PolarHBondContact OG-O 2.97Å; L40-L81 HydrophobicContact CD1-CB 4.28Å; F66-L81 HydrophobicContact CE1-CD1 4.25Å; F66-L81 HydrophobicContact CZ-CD1 3.64Å; L68-L81 HydrophobicContact CD1-CB 4.42Å; W77-L81 HydrophobicContact CB-CD1 4.14Å; W77-L81 HydrophobicContact CD2-CD1 4.05Å; W77-L81 HydrophobicContact CE3-CD1 3.66Å; W77-L81 HydrophobicContact CG-CD1 4.29Å; W77-L81 HydrophobicContact CZ3-CD1 4.39Å; W77-L81 WeakPolarHBondContact O-CB 3.35Å; W77-L81 WeakPolarHBondContact O-CG 3.43Å; W77-L81 PolarHBondContact O-N 2.74Å; K79-L81 PolarHBondContact O-N 3.2Å; L81-M84 HydrophobicContact CD2-SD 3.67Å; L81-L92 HydrophobicContact CD2-CD1 4.22Å; L81-L92 HydrophobicContact CG-CD1 4.32Å; L81-I123 HydrophobicContact CD1-CD1 4.13Å; L81-I123 HydrophobicContact CD2-CB 4.28Å; L81-I123 HydrophobicContact CD2-CD1 3.94Å; L81-I123 HydrophobicContact CD2-CG2 4.02Å; L81-I123 HydrophobicContact CG-CD1 4.4Å
82	Q	98.4	Very high	98.5	Very high	94 Å²	94	39.1 Å²	39.1	44%	0.439	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	143.7	171.7	-67.1	-175.9	12.7	0	0	111.5	N36 L68 E78 K79 M84 R90	N36-Q82 PolarHBondContact OD1-NE2 2.02Å; L68-Q82 HydrophobicContact CD2-CG 4.2Å; E78-Q82 WeakPolarHBondContact O-CG 3.38Å; E78-Q82 PolarHBondContact O-NE2 3.06Å; K79-Q82 PolarHBondContact O-N 2.79Å; Q82-M84 PolarHBondContact O-N 2.83Å; Q82-R90 PolarHBondContact O-NH1 3.47Å; Q82-R90 PolarHBondContact O-NH2 2.81Å
83	G	98.4	Very high	98.5	Very high	32 Å²	32	36.3 Å²	36.3	33%	0.33	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	21.8	175.2	0	0	0	0	0	114.4	S34 R90	S34-G83 PolarHBondContact O-N 2.73Å; S34-G83 PolarHBondContact OG-N 3.12Å; S34-G83 VanDerWaalsContact OG-N 3.16Å; G83-R90 PolarHBondContact O-NH2 2.89Å; G83-R90 VanDerWaalsContact O-NH2 3.12Å
84	M	98.4	Very high	98.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-87.8	142.3	179.6	-169	170.4	176.9	0	0	110.6	K33 S34 L81 Q82 E88 R90 I123 L125	K33-M84 WeakPolarHBondContact CA-O 3.34Å; S34-M84 PolarHBondContact N-O 2.89Å; S34-M84 PolarHBondContact OG-N 3.18Å; S34-M84 PolarHBondContact OG-O 2.84Å; L81-M84 HydrophobicContact CD2-SD 3.67Å; Q82-M84 PolarHBondContact O-N 2.83Å; M84-E88 HydrophobicContact CE-CB 3.86Å; M84-E88 HydrophobicContact CE-CG 4.21Å; M84-E88 WeakPolarHBondContact CE-O 3.23Å; M84-E88 HydrophobicContact CG-CB 4.01Å; M84-E88 HydrophobicContact CG-CG 4.28Å; M84-R90 HydrophobicContact CE-CB 4.21Å; M84-R90 HydrophobicContact CE-CG 3.92Å; M84-R90 HydrophobicContact CG-CG 4.5Å; M84-R90 HydrophobicContact SD-CB 4.45Å; M84-R90 HydrophobicContact SD-CG 3.95Å; M84-I123 WeakPolarHBondContact CE-O 3.37Å; M84-L125 HydrophobicContact CB-CD2 3.92Å; M84-L125 HydrophobicContact CE-CB 3.59Å; M84-L125 HydrophobicContact CG-CB 4.1Å; M84-L125 HydrophobicContact CG-CD2 3.83Å; M84-L125 HydrophobicContact SD-CB 3.87Å; M84-L125 HydrophobicContact SD-CD2 4.35Å
85	C	98.5	Very high	98.5	Very high	12 Å²	12	34.5 Å²	34.5	8%	0.081	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-94.3	150.6	177.3	-45.8	0	0	0	0	110.5	A27 C30 E88	A27-C85 HydrophobicContact CB-CB 3.57Å; C30-C85 HydrophobicContact CB-CB 3.72Å; C30-C85 WeakPolarHBondContact CB-SG 3.33Å; C30-C85 WeakPolarHBondContact SG-CB 3.49Å; C30-C85 CovalentContact SG-SG 2.02Å; C30-C85 PolarHBondContact SG-SG 3.11Å; C85-E88 HydrophobicContact CB-CB 4.4Å; C85-E88 PolarHBondContact N-OE2 2.95Å; C85-E88 WeakPolarHBondContact O-CB 3.2Å; C85-E88 PolarHBondContact O-N 3.4Å
86	E	98.4	Very high	98.4	Very high	80 Å²	80	32 Å²	32	37%	0.374	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	147.4	168.6	-66.2	-174.9	167.8	0	0	111.1	A27 E88 L125 K127 I128	A27-E86 WeakPolarHBondContact CB-O 3.4Å; E86-E88 PolarHBondContact O-N 2.63Å; E86-E88 VanDerWaalsContact O-N 3.12Å; E86-L125 CarbonylContact C-O 3.6Å; E86-K127 WeakPolarHBondContact OE1-CA 3.26Å; E86-I128 HydrophobicContact CG-CB 4.48Å; E86-I128 HydrophobicContact CG-CD1 4.17Å; E86-I128 HydrophobicContact CG-CG1 3.93Å; E86-I128 PolarHBondContact OE1-N 3.12Å
87	S	97.9	Very high	98.3	Very high	69 Å²	69	38.1 Å²	38.1	48%	0.483	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	-3.6	-172.7	-53.8	0	0	0	0	116.4	R25 L125	R25-S87 PolarHBondContact NE-O 3.35Å; R25-S87 PolarHBondContact NH2-O 3.49Å; S87-L125 WeakPolarHBondContact CA-O 3.1Å; S87-L125 PolarHBondContact N-O 2.96Å
88	E	98.7	Very high	98.3	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.037	20%	0.195	C	C	.	.			trans	-66.9	145.1	170.9	-166.8	-178.1	141	0	0	110.3	I23 R25 A27 M84 C85 E86 R90 E124 L125	I23-E88 HydrophobicContact CG2-CG 4Å; R25-E88 CarbonylContact O-C 3.55Å; R25-E88 WeakPolarHBondContact O-CA 3.43Å; R25-E88 VanDerWaalsContact O-CG 3.24Å; R25-E88 WeakPolarHBondContact O-CG 3.3Å; A27-E88 HydrophobicContact CB-CB 4.47Å; M84-E88 HydrophobicContact CE-CB 3.86Å; M84-E88 HydrophobicContact CE-CG 4.21Å; M84-E88 WeakPolarHBondContact CE-O 3.23Å; M84-E88 HydrophobicContact CG-CB 4.01Å; M84-E88 HydrophobicContact CG-CG 4.28Å; C85-E88 HydrophobicContact CB-CB 4.4Å; C85-E88 PolarHBondContact N-OE2 2.95Å; C85-E88 WeakPolarHBondContact O-CB 3.2Å; C85-E88 PolarHBondContact O-N 3.4Å; E86-E88 PolarHBondContact O-N 2.63Å; E86-E88 VanDerWaalsContact O-N 3.12Å; E88-R90 WeakPolarHBondContact OE1-CG 3.21Å; E88-R90 IonicContact OE1-CZ 3.77Å; E88-R90 IonicContact OE1-NE 3.9Å; E88-R90 PolarHBondContact OE1-NE 2.71Å; E88-R90 IonicContact OE1-NH2 3.35Å; E88-R90 PolarHBondContact OE1-NH2 3.16Å; E88-R90 IonicContact OE2-NH2 3.47Å; E88-E124 WeakPolarHBondContact O-CA 3.44Å; E88-L125 PolarHBondContact O-N 3.21Å; E88-L125 VanDerWaalsContact O-N 3.11Å
89	I	98.7	Very high	98.2	Very high	23 Å²	23	38.6 Å²	38.6	12%	0.118	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.3	165.4	-58.9	-172.7	0	0	0	109.3	I23 K24 R25 I123 E124	I23-I89 CarbonylContact C-O 3.53Å; K24-I89 HydrophobicContact CB-CB 4.2Å; K24-I89 HydrophobicContact CB-CG2 3.91Å; K24-I89 HydrophobicContact CD-CG2 4.08Å; K24-I89 HydrophobicContact CG-CG2 4.4Å; K24-I89 PolarHBondContact N-O 3.49Å; R25-I89 HydrophobicContact CB-CB 4.11Å; R25-I89 HydrophobicContact CB-CG1 4.29Å; R25-I89 VanDerWaalsContact CZ-CG1 3.47Å; R25-I89 PolarHBondContact N-O 2.98Å; R25-I89 VanDerWaalsContact NH2-CG1 3.3Å; R25-I89 PolarHBondContact O-N 3.32Å; I89-I123 CarbonylContact C-O 3.59Å; I89-I123 VanDerWaalsContact CA-O 3.25Å; I89-I123 WeakPolarHBondContact CA-O 3.5Å; I89-E124 HydrophobicContact CD1-CB 4.26Å; I89-E124 HydrophobicContact CD1-CG 4.4Å; I89-E124 HydrophobicContact CG1-CB 3.87Å; I89-E124 HydrophobicContact CG1-CG 3.98Å
90	R	98.7	Very high	98.2	Very high	19 Å²	19	38.6 Å²	38.6	7%	0.072	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.1	170.7	-73	-177	-179.6	-175.5	4.8	111.6	I21 G22 G80 Q82 G83 M84 E88 L92 E122 I123	I21-R90 HydrophobicContact CG2-CG 4.3Å; G22-R90 CarbonylContact O-C 3.57Å; G22-R90 VanDerWaalsContact O-CA 3.26Å; G22-R90 WeakPolarHBondContact O-CA 3.31Å; G80-R90 WeakPolarHBondContact O-CD 3.39Å; G80-R90 PolarHBondContact O-NH1 2.83Å; Q82-R90 PolarHBondContact O-NH1 3.47Å; Q82-R90 PolarHBondContact O-NH2 2.81Å; G83-R90 PolarHBondContact O-NH2 2.89Å; G83-R90 VanDerWaalsContact O-NH2 3.12Å; M84-R90 HydrophobicContact CE-CB 4.21Å; M84-R90 HydrophobicContact CE-CG 3.92Å; M84-R90 HydrophobicContact CG-CG 4.5Å; M84-R90 HydrophobicContact SD-CB 4.45Å; M84-R90 HydrophobicContact SD-CG 3.95Å; E88-R90 WeakPolarHBondContact OE1-CG 3.21Å; E88-R90 IonicContact OE1-CZ 3.77Å; E88-R90 IonicContact OE1-NE 3.9Å; E88-R90 PolarHBondContact OE1-NE 2.71Å; E88-R90 IonicContact OE1-NH2 3.35Å; E88-R90 PolarHBondContact OE1-NH2 3.16Å; E88-R90 IonicContact OE2-NH2 3.47Å; R90-L92 HydrophobicContact CB-CD2 4.21Å; R90-E122 CarbonylContact O-C 3.52Å; R90-E122 WeakPolarHBondContact O-CA 3.29Å; R90-I123 PolarHBondContact N-O 3.12Å; R90-I123 PolarHBondContact O-N 3.21Å
91	R	98.7	Very high	98	Very high	117 Å²	117	39.6 Å²	39.6	44%	0.442	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.4	159.7	-179.1	175.7	-70.4	-173.7	-3.1	108.1	G22 T120 F121 E122	G22-R91 PolarHBondContact N-O 3.36Å; G22-R91 PolarHBondContact O-N 3.24Å; R91-T120 HydrophobicContact CG-CG2 3.96Å; R91-F121 CarbonylContact C-O 3.53Å; R91-F121 WeakPolarHBondContact CA-O 3.47Å; R91-E122 IonicContact CZ-OE1 3.29Å; R91-E122 IonicContact NE-OE1 2.82Å; R91-E122 IonicContact NH2-OE1 2.74Å; R91-E122 PolarHBondContact NH2-OE1 3.06Å
92	L	98.7	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.5	174.5	-53.3	-174.2	0	0	0	109.1	V19 K20 I21 L81 R90 I94 T120 F121 I123	V19-L92 HydrophobicContact CG2-CB 4.09Å; V19-L92 HydrophobicContact CG2-CD2 4.3Å; K20-L92 WeakPolarHBondContact O-CA 3.17Å; I21-L92 HydrophobicContact CB-CD2 4.26Å; I21-L92 HydrophobicContact CG1-CD2 3.96Å; I21-L92 HydrophobicContact CG2-CD2 3.98Å; L81-L92 HydrophobicContact CD2-CD1 4.22Å; L81-L92 HydrophobicContact CG-CD1 4.32Å; R90-L92 HydrophobicContact CB-CD2 4.21Å; L92-I94 HydrophobicContact CB-CD1 4.14Å; L92-I94 HydrophobicContact CB-CG1 3.9Å; L92-I94 HydrophobicContact CD1-CD1 4.31Å; L92-T120 CarbonylContact O-C 3.43Å; L92-T120 VanDerWaalsContact O-CA 3.31Å; L92-T120 WeakPolarHBondContact O-CA 3.26Å; L92-F121 HydrophobicContact CB-CB 4.42Å; L92-F121 PolarHBondContact N-O 3.44Å; L92-F121 PolarHBondContact O-N 2.82Å; L92-I123 HydrophobicContact CD1-CD1 3.76Å; L92-I123 HydrophobicContact CG-CD1 4.33Å
93	I	98.5	Very high	97.8	Very high	67 Å²	67	44.3 Å²	44.3	34%	0.344	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	110.8	165	-53.8	173.3	0	0	0	106.3	K20 T118	K20-I93 HydrophobicContact CB-CB 4.12Å; K20-I93 HydrophobicContact CD-CD1 4.43Å; K20-I93 PolarHBondContact N-O 2.98Å; K20-I93 PolarHBondContact O-N 3.17Å; I93-T118 HydrophobicContact CG2-CG2 3.57Å
94	I	98.5	Very high	97.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.1	-169.2	-55.7	179.4	0	0	0	108.5	V19 I74 L92 L98 A99 T118 L119 F121	V19-I94 HydrophobicContact CG2-CG1 3.92Å; I74-I94 HydrophobicContact CD1-CD1 3.81Å; I74-I94 HydrophobicContact CD1-CG2 4.42Å; L92-I94 HydrophobicContact CB-CD1 4.14Å; L92-I94 HydrophobicContact CB-CG1 3.9Å; L92-I94 HydrophobicContact CD1-CD1 4.31Å; I94-L98 HydrophobicContact CG2-CB 3.74Å; I94-L98 WeakPolarHBondContact CG2-O 3.32Å; I94-A99 HydrophobicContact CG2-CB 3.93Å; I94-T118 WeakPolarHBondContact O-CA 3.33Å; I94-L119 PolarHBondContact N-O 3.16Å; I94-L119 PolarHBondContact O-N 2.95Å; I94-F121 HydrophobicContact CD1-CD2 3.57Å; I94-F121 HydrophobicContact CD1-CE2 3.86Å; I94-F121 HydrophobicContact CG1-CD2 4.39Å
95	P	97.7	Very high	97.4	Very high	14 Å²	14	44.5 Å²	44.5	9%	0.091	25%	0.247	C	C	.	.			trans	-69.8	157.9	175.2	34.2	-37.4	0	0	0	110.5	A17 E97 L98 A99	A17-P95 HydrophobicContact CB-CB 3.73Å; A17-P95 HydrophobicContact CB-CG 3.82Å; P95-E97 WeakPolarHBondContact CB-OE2 3.44Å; P95-E97 PolarHBondContact O-N 3.19Å; P95-E97 VanDerWaalsContact O-N 3.16Å; P95-L98 HydrophobicContact CG-CB 4.34Å; P95-L98 HydrophobicContact CG-CD1 4.05Å; P95-L98 HydrophobicContact CG-CG 4.18Å; P95-L98 PolarHBondContact O-N 3.01Å; P95-A99 PolarHBondContact O-N 3.34Å
96	P	97.2	Very high	97	Very high	12 Å²	12	48.4 Å²	48.4	8%	0.078	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.2	-172.4	22	-33.4	0	0	0	114	L98 A99 G101 D116	P96-L98 PolarHBondContact O-N 2.87Å; P96-L98 VanDerWaalsContact O-N 3.16Å; P96-A99 CarbonylContact O-C 3.45Å; P96-A99 PolarHBondContact O-N 2.84Å; P96-G101 VanDerWaalsContact O-CA 3.28Å; P96-G101 WeakPolarHBondContact O-CA 3.32Å; P96-G101 PolarHBondContact O-N 3Å; P96-D116 HydrophobicContact CB-CB 4.46Å; P96-D116 HydrophobicContact CG-CB 4.33Å
97	E	96.5	Very high	96.5	Very high	128 Å²	128	49.3 Å²	49.3	60%	0.598	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-64.3	-18.7	177.8	-56.6	78.6	-172.8	0	0	113	P95	P95-E97 WeakPolarHBondContact CB-OE2 3.44Å; P95-E97 PolarHBondContact O-N 3.19Å; P95-E97 VanDerWaalsContact O-N 3.16Å
98	L	97.9	Very high	95.9	Very high	17 Å²	17	50.7 Å²	50.7	9%	0.089	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-110.2	9.9	175.4	-60.5	-179.2	0	0	0	112.4	D18 V19 S75 G76 K79 I94 P95 P96	D18-L98 WeakPolarHBondContact OD1-CD1 3.45Å; V19-L98 HydrophobicContact CB-CD1 4.2Å; S75-L98 PolarHBondContact N-O 2.99Å; G76-L98 PolarHBondContact N-O 3Å; K79-L98 HydrophobicContact CD-CD1 4.17Å; K79-L98 HydrophobicContact CD-CD2 4.37Å; I94-L98 HydrophobicContact CG2-CB 3.74Å; I94-L98 WeakPolarHBondContact CG2-O 3.32Å; P95-L98 HydrophobicContact CG-CB 4.34Å; P95-L98 HydrophobicContact CG-CD1 4.05Å; P95-L98 HydrophobicContact CG-CG 4.18Å; P95-L98 PolarHBondContact O-N 3.01Å; P96-L98 PolarHBondContact O-N 2.87Å; P96-L98 VanDerWaalsContact O-N 3.16Å
99	A	97.6	Very high	95	Very high	22 Å²	22	58.3 Å²	58.3	18%	0.182	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-116.5	178.7	0	0	0	0	0	110.9	I74 I94 P95 P96 L119	I74-A99 HydrophobicContact CD1-CB 4.17Å; I94-A99 HydrophobicContact CG2-CB 3.93Å; P95-A99 PolarHBondContact O-N 3.34Å; P96-A99 CarbonylContact O-C 3.45Å; P96-A99 PolarHBondContact O-N 2.84Å; A99-L119 HydrophobicContact CB-CD1 3.75Å; A99-L119 HydrophobicContact CB-CG 4.21Å
100	Y	96.7	Very high	93.9	Very high	96 Å²	96	63.5 Å²	63.5	38%	0.376	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.6	-175.1	-58.4	-77.1	0	0	0	114	I74 G104 V105 I113 L119	I74-Y100 HydrophobicContact CG2-CE1 4.25Å; Y100-G104 PolarHBondContact O-N 2.95Å; Y100-G104 VanDerWaalsContact O-N 3.12Å; Y100-V105 HydrophobicContact CD1-CG2 3.43Å; Y100-V105 VanDerWaalsContact CD1-CG2 3.43Å; Y100-V105 HydrophobicContact CD2-CG2 3.92Å; Y100-V105 HydrophobicContact CE1-CG2 3.66Å; Y100-V105 HydrophobicContact CE2-CG2 4.14Å; Y100-V105 HydrophobicContact CG-CG2 3.57Å; Y100-I113 HydrophobicContact CD2-CD1 3.6Å; Y100-I113 HydrophobicContact CD2-CG2 4.13Å; Y100-I113 HydrophobicContact CE2-CD1 3.3Å; Y100-L119 HydrophobicContact CD2-CD1 3.76Å; Y100-L119 HydrophobicContact CE2-CD1 3.63Å
101	G	96	Very high	93.3	Very high	20 Å²	20	65.2 Å²	65.2	21%	0.206	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	58.1	-156.2	173.9	0	0	0	0	0	115.1	P96 S103 G104 D116	P96-G101 VanDerWaalsContact O-CA 3.28Å; P96-G101 WeakPolarHBondContact O-CA 3.32Å; P96-G101 PolarHBondContact O-N 3Å; G101-S103 PolarHBondContact O-N 2.93Å; G101-G104 PolarHBondContact O-N 2.96Å; G101-D116 PolarHBondContact O-N 2.82Å
102	S	96.1	Very high	93	Very high	88 Å²	88	65.5 Å²	65.5	62%	0.615	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-71.2	-6.8	-179.2	58.7	0	0	0	0	114.5	A115 D116	S102-A115 WeakPolarHBondContact O-CB 3.34Å; S102-D116 VanDerWaalsContact CA-OD1 3.26Å; S102-D116 WeakPolarHBondContact CA-OD1 3.36Å
103	S	95.1	Very high	92.8	Very high	105 Å²	105	65.6 Å²	65.6	73%	0.734	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-92	-28.9	174.7	-60.7	0	0	0	0	112.3	G101	G101-S103 PolarHBondContact O-N 2.93Å
104	G	94.9	Very high	92.7	Very high	11 Å²	11	64.1 Å²	64.1	11%	0.113	38%	0.376	C	S	.	.			trans	61.3	-153.7	-172.9	0	0	0	0	0	112.2	Y100 G101 I113	Y100-G104 PolarHBondContact O-N 2.95Å; Y100-G104 VanDerWaalsContact O-N 3.12Å; G101-G104 PolarHBondContact O-N 2.96Å; G104-I113 CarbonylContact C-O 3.58Å; G104-I113 WeakPolarHBondContact CA-O 3.39Å
105	V	94.1	Very high	92.6	Very high	27 Å²	27	66.5 Å²	66.5	16%	0.164	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.5	172.7	-178.8	0	0	0	0	108	Y100 L111 Y112 I113	Y100-V105 HydrophobicContact CD1-CG2 3.43Å; Y100-V105 VanDerWaalsContact CD1-CG2 3.43Å; Y100-V105 HydrophobicContact CD2-CG2 3.92Å; Y100-V105 HydrophobicContact CE1-CG2 3.66Å; Y100-V105 HydrophobicContact CE2-CG2 4.14Å; Y100-V105 HydrophobicContact CG-CG2 3.57Å; V105-L111 HydrophobicContact CG1-CD2 4.25Å; V105-Y112 VanDerWaalsContact O-CD2 3.26Å; V105-Y112 WeakPolarHBondContact O-CD2 3.34Å; V105-I113 HydrophobicContact CB-CB 3.94Å; V105-I113 HydrophobicContact CB-CD1 4.44Å; V105-I113 HydrophobicContact CB-CG1 4.28Å; V105-I113 HydrophobicContact CG2-CB 4.06Å; V105-I113 HydrophobicContact CG2-CD1 3.94Å; V105-I113 HydrophobicContact CG2-CG1 4.28Å; V105-I113 PolarHBondContact N-O 3.34Å; V105-I113 PolarHBondContact O-N 3.32Å; V105-I113 VanDerWaalsContact O-O 3.12Å
106	P	91.1	Very high	92.5	Very high	94 Å²	94	70.6 Å²	70.6	61%	0.61	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.5	150.2	175.4	-26.3	34.5	0	0	0	112	V108	P106-V108 PolarHBondContact O-N 2.82Å; P106-V108 VanDerWaalsContact O-N 3.16Å
107	P	88.1	Confident	92.5	Very high	99 Å²	99	71.2 Å²	71.2	64%	0.643	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.5	120.7	-179.8	-21	30.2	0	0	0	112.3	Y112	P107-Y112 HydrophobicContact CB-CD2 4.17Å; P107-Y112 HydrophobicContact CG-CD2 3.58Å; P107-Y112 HydrophobicContact CG-CE2 3.92Å; P107-Y112 HydrophobicContact CG-CG 4.24Å
108	V	84.6	Confident	92.5	Very high	97 Å²	97	67.4 Å²	67.4	59%	0.588	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	97.9	168.9	178.7	0	0	0	0	106.6	P106 P110 L111	P106-V108 PolarHBondContact O-N 2.82Å; P106-V108 VanDerWaalsContact O-N 3.16Å; V108-P110 CarbonylContact O-C 3.48Å; V108-L111 CarbonylContact C-O 3.59Å; V108-L111 PolarHBondContact N-O 3.46Å; V108-L111 CarbonylContact O-C 3.56Å; V108-L111 VanDerWaalsContact O-CA 3.28Å; V108-L111 WeakPolarHBondContact O-CA 3.26Å; V108-L111 VanDerWaalsContact O-CB 3.26Å; V108-L111 WeakPolarHBondContact O-CB 3.28Å; V108-L111 PolarHBondContact O-N 3.48Å
109	I	78.7	Confident	92.6	Very high	168 Å²	168	66.6 Å²	66.6	86%	0.862	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	127.6	-169	-60.6	178.4	0	0	0	111.7
110	P	77.3	Confident	92.6	Very high	133 Å²	133	66.9 Å²	66.9	86%	0.864	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.7	3.8	3.4	37.2	-35.9	0	0	0	115.5	V108	V108-P110 CarbonylContact O-C 3.48Å
111	L	86	Confident	92.7	Very high	54 Å²	54	62.6 Å²	62.6	28%	0.283	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.3	-177.7	178.9	70.1	0	0	0	112.6	F54 V105 V108 I113	F54-L111 HydrophobicContact CB-CD1 3.8Å; F54-L111 HydrophobicContact CD2-CD1 3.86Å; F54-L111 HydrophobicContact CG-CD1 4.27Å; F54-L111 VanDerWaalsContact O-CD1 3.25Å; F54-L111 WeakPolarHBondContact O-CD1 3.16Å; V105-L111 HydrophobicContact CG1-CD2 4.25Å; V108-L111 CarbonylContact C-O 3.59Å; V108-L111 PolarHBondContact N-O 3.46Å; V108-L111 CarbonylContact O-C 3.56Å; V108-L111 VanDerWaalsContact O-CA 3.28Å; V108-L111 WeakPolarHBondContact O-CA 3.26Å; V108-L111 VanDerWaalsContact O-CB 3.26Å; V108-L111 WeakPolarHBondContact O-CB 3.28Å; V108-L111 PolarHBondContact O-N 3.48Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; L111-I113 HydrophobicContact CD1-CG1 4.41Å
112	Y	91.2	Very high	92.8	Very high	124 Å²	124	63 Å²	63	49%	0.486	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	134.5	165.9	173.2	-123.1	0	0	0	109.9	V105 P107 A114	V105-Y112 VanDerWaalsContact O-CD2 3.26Å; V105-Y112 WeakPolarHBondContact O-CD2 3.34Å; P107-Y112 HydrophobicContact CB-CD2 4.17Å; P107-Y112 HydrophobicContact CG-CD2 3.58Å; P107-Y112 HydrophobicContact CG-CE2 3.92Å; P107-Y112 HydrophobicContact CG-CG 4.24Å; Y112-A114 HydrophobicContact CE1-CB 4.22Å
113	I	95.2	Very high	93	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.2	174.1	-57.2	178.7	0	0	0	107.4	L48 F54 Y100 G104 V105 L111 L119	L48-I113 HydrophobicContact CD2-CG1 4.29Å; L48-I113 HydrophobicContact CD2-CG2 4.4Å; F54-I113 HydrophobicContact CD2-CD1 3.9Å; F54-I113 HydrophobicContact CD2-CG1 4.49Å; F54-I113 HydrophobicContact CE2-CD1 3.94Å; F54-I113 HydrophobicContact CG-CD1 4.28Å; F54-I113 HydrophobicContact CG-CG1 4.45Å; F54-I113 HydrophobicContact CZ-CD1 4.33Å; Y100-I113 HydrophobicContact CD2-CD1 3.6Å; Y100-I113 HydrophobicContact CD2-CG2 4.13Å; Y100-I113 HydrophobicContact CE2-CD1 3.3Å; G104-I113 CarbonylContact C-O 3.58Å; G104-I113 WeakPolarHBondContact CA-O 3.39Å; V105-I113 HydrophobicContact CB-CB 3.94Å; V105-I113 HydrophobicContact CB-CD1 4.44Å; V105-I113 HydrophobicContact CB-CG1 4.28Å; V105-I113 HydrophobicContact CG2-CB 4.06Å; V105-I113 HydrophobicContact CG2-CD1 3.94Å; V105-I113 HydrophobicContact CG2-CG1 4.28Å; V105-I113 PolarHBondContact N-O 3.34Å; V105-I113 PolarHBondContact O-N 3.32Å; V105-I113 VanDerWaalsContact O-O 3.12Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; L111-I113 HydrophobicContact CD1-CG1 4.41Å; I113-L119 HydrophobicContact CD1-CD1 4.48Å; I113-L119 HydrophobicContact CD1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.97Å
114	A	95.4	Very high	93.1	Very high	36 Å²	36	55.9 Å²	55.9	30%	0.298	33%	0.327	S	S	.	.			trans	-66.8	158	179.2	0	0	0	0	0	111.6	Y112 S117	Y112-A114 HydrophobicContact CE1-CB 4.22Å; A114-S117 PolarHBondContact N-OG 2.68Å; A114-S117 VanDerWaalsContact O-CB 3.29Å; A114-S117 WeakPolarHBondContact O-CB 3.43Å; A114-S117 PolarHBondContact O-N 3.34Å; A114-S117 PolarHBondContact O-OG 3.31Å
115	A	96.5	Very high	93.3	Very high	49 Å²	49	55.4 Å²	55.4	41%	0.405	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	143.5	168	0	0	0	0	0	111.1	S102 S117	S102-A115 WeakPolarHBondContact O-CB 3.34Å; A115-S117 PolarHBondContact O-N 3.36Å
116	D	96.1	Very high	93.5	Very high	100 Å²	100	56.4 Å²	56.4	54%	0.535	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	19.9	175.6	-53	-48.4	0	0	0	114.6	P96 G101 S102 T118	P96-D116 HydrophobicContact CB-CB 4.46Å; P96-D116 HydrophobicContact CG-CB 4.33Å; G101-D116 PolarHBondContact O-N 2.82Å; S102-D116 VanDerWaalsContact CA-OD1 3.26Å; S102-D116 WeakPolarHBondContact CA-OD1 3.36Å; D116-T118 PolarHBondContact O-N 2.97Å
117	S	97.2	Very high	93.8	Very high	26 Å²	26	56.7 Å²	56.7	18%	0.182	32%	0.318	C	S	.	.			trans	-67.6	129.1	178	-67.6	0	0	0	0	112.2	A114 A115	A114-S117 PolarHBondContact N-OG 2.68Å; A114-S117 VanDerWaalsContact O-CB 3.29Å; A114-S117 WeakPolarHBondContact O-CB 3.43Å; A114-S117 PolarHBondContact O-N 3.34Å; A114-S117 PolarHBondContact O-OG 3.31Å; A115-S117 PolarHBondContact O-N 3.36Å
118	T	97.8	Very high	94.3	Very high	48 Å²	48	52.8 Å²	52.8	29%	0.294	29%	0.291	S	S	.	.			trans	-81.8	130.1	162.7	-65.8	0	0	0	0	109.4	S49 I93 I94 D116	S49-T118 PolarHBondContact OG-O 2.86Å; I93-T118 HydrophobicContact CG2-CG2 3.57Å; I94-T118 WeakPolarHBondContact O-CA 3.33Å; D116-T118 PolarHBondContact O-N 2.97Å
119	L	98.4	Very high	94.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.8	-178	-53	-177.9	0	0	0	111.1	L48 F54 I74 I94 A99 Y100 I113 F121	L48-L119 HydrophobicContact CD2-CD2 3.98Å; F54-L119 HydrophobicContact CE1-CB 4.38Å; F54-L119 HydrophobicContact CE1-CD1 4.4Å; F54-L119 HydrophobicContact CE1-CD2 3.81Å; F54-L119 HydrophobicContact CE1-CG 4.42Å; F54-L119 HydrophobicContact CZ-CD1 3.98Å; F54-L119 HydrophobicContact CZ-CD2 4.22Å; F54-L119 HydrophobicContact CZ-CG 4.47Å; I74-L119 HydrophobicContact CD1-CD1 4.5Å; I94-L119 PolarHBondContact N-O 3.16Å; I94-L119 PolarHBondContact O-N 2.95Å; A99-L119 HydrophobicContact CB-CD1 3.75Å; A99-L119 HydrophobicContact CB-CG 4.21Å; Y100-L119 HydrophobicContact CD2-CD1 3.76Å; Y100-L119 HydrophobicContact CE2-CD1 3.63Å; I113-L119 HydrophobicContact CD1-CD1 4.48Å; I113-L119 HydrophobicContact CD1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.97Å; L119-F121 HydrophobicContact CB-CD2 4.21Å; L119-F121 HydrophobicContact CB-CE2 3.77Å; L119-F121 HydrophobicContact CD1-CE2 3.86Å; L119-F121 HydrophobicContact CD1-CZ 4.27Å
120	T	98.6	Very high	95.7	Very high	27 Å²	27	48.6 Å²	48.6	17%	0.166	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.8	168.5	-61.5	0	0	0	0	109.5	G46 M47 R91 L92	G46-T120 CarbonylContact C-O 3.56Å; M47-T120 HydrophobicContact CE-CG2 4.05Å; M47-T120 PolarHBondContact N-O 3.16Å; M47-T120 PolarHBondContact O-N 2.89Å; R91-T120 HydrophobicContact CG-CG2 3.96Å; L92-T120 CarbonylContact O-C 3.43Å; L92-T120 VanDerWaalsContact O-CA 3.31Å; L92-T120 WeakPolarHBondContact O-CA 3.26Å
121	F	98.7	Very high	96.2	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	136.7	170.7	-71.8	-93.2	0	0	0	110.8	Y44 K45 F54 I74 W77 R91 L92 I94 L119 I123	Y44-F121 HydrophobicContact CD2-CD1 4.05Å; Y44-F121 HydrophobicContact CD2-CE1 4.14Å; Y44-F121 HydrophobicContact CE2-CE1 4.31Å; K45-F121 CarbonylContact O-C 3.58Å; K45-F121 VanDerWaalsContact O-CA 3.32Å; K45-F121 WeakPolarHBondContact O-CA 3.01Å; F54-F121 HydrophobicContact CE2-CE1 4.25Å; F54-F121 HydrophobicContact CE2-CZ 4.03Å; F54-F121 AromaticContact CZ-CE1 3.87Å; F54-F121 HydrophobicContact CZ-CE1 3.87Å; F54-F121 HydrophobicContact CZ-CE2 4.04Å; F54-F121 AromaticContact CZ-CZ 3.47Å; F54-F121 HydrophobicContact CZ-CZ 3.47Å; F54-F121 VanDerWaalsContact CZ-CZ 3.47Å; I74-F121 HydrophobicContact CD1-CE2 3.85Å; I74-F121 HydrophobicContact CD1-CZ 4.18Å; W77-F121 AromaticContact CE2-CD1 3.83Å; W77-F121 AromaticContact CE2-CE1 3.89Å; W77-F121 AromaticContact CZ2-CD1 3.52Å; W77-F121 HydrophobicContact CZ2-CD1 3.52Å; W77-F121 AromaticContact CZ2-CE1 3.61Å; W77-F121 HydrophobicContact CZ2-CE1 3.61Å; W77-F121 HydrophobicContact CZ2-CG 4.23Å; W77-F121 HydrophobicContact CZ2-CZ 4.38Å; W77-F121 AromaticContact NE1-CD1 3.54Å; W77-F121 AromaticContact NE1-CD2 3.51Å; W77-F121 AromaticContact NE1-CE1 3.58Å; W77-F121 AromaticContact NE1-CE2 3.54Å; W77-F121 AromaticContact NE1-CG 3.47Å; W77-F121 AromaticContact NE1-CZ 3.55Å; R91-F121 CarbonylContact C-O 3.53Å; R91-F121 WeakPolarHBondContact CA-O 3.47Å; L92-F121 HydrophobicContact CB-CB 4.42Å; L92-F121 PolarHBondContact N-O 3.44Å; L92-F121 PolarHBondContact O-N 2.82Å; I94-F121 HydrophobicContact CD1-CD2 3.57Å; I94-F121 HydrophobicContact CD1-CE2 3.86Å; I94-F121 HydrophobicContact CG1-CD2 4.39Å; L119-F121 HydrophobicContact CB-CD2 4.21Å; L119-F121 HydrophobicContact CB-CE2 3.77Å; L119-F121 HydrophobicContact CD1-CE2 3.86Å; L119-F121 HydrophobicContact CD1-CZ 4.27Å; F121-I123 HydrophobicContact CB-CD1 3.89Å; F121-I123 HydrophobicContact CB-CG1 3.86Å; F121-I123 HydrophobicContact CG-CD1 4.5Å
122	E	98.5	Very high	96	Very high	29 Å²	29	50.3 Å²	50.3	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	124.7	157.6	-63.9	-166.2	157.1	0	0	108.3	K24 Y44 K45 M47 R90 R91	K24-E122 IonicContact NZ-OE1 2.99Å; K24-E122 PolarHBondContact NZ-OE1 3.39Å; K24-E122 IonicContact NZ-OE2 3.91Å; K24-E122 PolarHBondContact NZ-OE2 3.05Å; Y44-E122 CarbonylContact C-O 3.59Å; Y44-E122 WeakPolarHBondContact CA-O 3.4Å; Y44-E122 WeakPolarHBondContact CB-O 3.42Å; K45-E122 PolarHBondContact N-O 2.82Å; K45-E122 PolarHBondContact O-N 2.87Å; M47-E122 HydrophobicContact CE-CG 4.24Å; R90-E122 CarbonylContact O-C 3.52Å; R90-E122 WeakPolarHBondContact O-CA 3.29Å; R91-E122 IonicContact CZ-OE1 3.29Å; R91-E122 IonicContact NE-OE1 2.82Å; R91-E122 IonicContact NH2-OE1 2.74Å; R91-E122 PolarHBondContact NH2-OE1 3.06Å
123	I	98.8	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	125	-172.4	-53.5	177.3	0	0	0	108.7	V42 R43 W77 L81 M84 I89 R90 L92 F121	V42-I123 HydrophobicContact CB-CG2 3.84Å; V42-I123 HydrophobicContact CG1-CG2 3.96Å; V42-I123 HydrophobicContact CG2-CG2 4.28Å; R43-I123 CarbonylContact O-C 3.59Å; R43-I123 WeakPolarHBondContact O-CA 3.47Å; W77-I123 HydrophobicContact CD2-CD1 3.83Å; W77-I123 VanDerWaalsContact CE2-CD1 3.47Å; W77-I123 HydrophobicContact CE3-CD1 4.27Å; W77-I123 HydrophobicContact CG-CD1 4.38Å; W77-I123 HydrophobicContact CH2-CD1 4.09Å; W77-I123 HydrophobicContact CZ2-CD1 3.63Å; W77-I123 HydrophobicContact CZ2-CG1 4.25Å; W77-I123 HydrophobicContact CZ3-CD1 4.39Å; L81-I123 HydrophobicContact CD1-CD1 4.13Å; L81-I123 HydrophobicContact CD2-CB 4.28Å; L81-I123 HydrophobicContact CD2-CD1 3.94Å; L81-I123 HydrophobicContact CD2-CG2 4.02Å; L81-I123 HydrophobicContact CG-CD1 4.4Å; M84-I123 WeakPolarHBondContact CE-O 3.37Å; I89-I123 CarbonylContact C-O 3.59Å; I89-I123 VanDerWaalsContact CA-O 3.25Å; I89-I123 WeakPolarHBondContact CA-O 3.5Å; R90-I123 PolarHBondContact N-O 3.12Å; R90-I123 PolarHBondContact O-N 3.21Å; L92-I123 HydrophobicContact CD1-CD1 3.76Å; L92-I123 HydrophobicContact CG-CD1 4.33Å; F121-I123 HydrophobicContact CB-CD1 3.89Å; F121-I123 HydrophobicContact CB-CG1 3.86Å; F121-I123 HydrophobicContact CG-CD1 4.5Å
124	E	98.5	Very high	93	Very high	44 Å²	44	62.4 Å²	62.4	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	123.5	170.7	-178.6	177.5	-138.3	0	0	109	R25 V42 R43 E88 I89 L126	R25-E124 IonicContact CZ-OE1 3.54Å; R25-E124 IonicContact NH1-OE1 2.73Å; R25-E124 IonicContact NH2-OE1 3.91Å; R25-E124 PolarHBondContact NH2-OE1 3.29Å; V42-E124 CarbonylContact C-O 3.6Å; V42-E124 VanDerWaalsContact CA-O 3.23Å; V42-E124 WeakPolarHBondContact CA-O 3.42Å; V42-E124 WeakPolarHBondContact CB-O 3.43Å; R43-E124 HydrophobicContact CB-CB 4.31Å; R43-E124 PolarHBondContact N-O 2.76Å; R43-E124 IonicContact NH1-OE2 3.95Å; R43-E124 PolarHBondContact O-N 3.45Å; E88-E124 WeakPolarHBondContact O-CA 3.44Å; I89-E124 HydrophobicContact CD1-CB 4.26Å; I89-E124 HydrophobicContact CD1-CG 4.4Å; I89-E124 HydrophobicContact CG1-CB 3.87Å; I89-E124 HydrophobicContact CG1-CG 3.98Å; E124-L126 HydrophobicContact CG-CD2 3.87Å; E124-L126 PolarHBondContact O-N 2.88Å
125	L	98.6	Very high	90.7	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	113.8	173.2	179.4	55.6	0	0	0	109.1	L40 V42 M84 E86 S87 E88 I128	L40-L125 HydrophobicContact CB-CD1 3.98Å; L40-L125 HydrophobicContact CD1-CD1 4.45Å; L40-L125 HydrophobicContact CD2-CD1 4.04Å; L40-L125 HydrophobicContact CG-CD1 4.38Å; V42-L125 HydrophobicContact CG1-CD1 3.98Å; M84-L125 HydrophobicContact CB-CD2 3.92Å; M84-L125 HydrophobicContact CE-CB 3.59Å; M84-L125 HydrophobicContact CG-CB 4.1Å; M84-L125 HydrophobicContact CG-CD2 3.83Å; M84-L125 HydrophobicContact SD-CB 3.87Å; M84-L125 HydrophobicContact SD-CD2 4.35Å; E86-L125 CarbonylContact C-O 3.6Å; S87-L125 WeakPolarHBondContact CA-O 3.1Å; S87-L125 PolarHBondContact N-O 2.96Å; E88-L125 PolarHBondContact O-N 3.21Å; E88-L125 VanDerWaalsContact O-N 3.11Å; L125-I128 HydrophobicContact CD1-CG1 4.39Å; L125-I128 HydrophobicContact CD2-CD1 4.02Å; L125-I128 HydrophobicContact CD2-CG1 3.81Å; L125-I128 HydrophobicContact CG-CG1 4.35Å
126	L	97.7	Very high	90.4	Very high	48 Å²	48	73.7 Å²	73.7	25%	0.251	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-43.3	-178.1	-54.4	176	0	0	0	111.6	H41 R43 P63 E124	H41-L126 WeakPolarHBondContact O-CA 3.43Å; H41-L126 WeakPolarHBondContact O-CB 3.23Å; H41-L126 PolarHBondContact O-N 3.17Å; R43-L126 HydrophobicContact CG-CD1 3.87Å; R43-L126 HydrophobicContact CG-CD2 4.34Å; R43-L126 HydrophobicContact CG-CG 4.44Å; P63-L126 HydrophobicContact CB-CD1 3.68Å; P63-L126 HydrophobicContact CG-CD1 3.54Å; E124-L126 HydrophobicContact CG-CD2 3.87Å; E124-L126 PolarHBondContact O-N 2.88Å
127	K	97.6	Very high	90.1	Very high	100 Å²	100	72.3 Å²	72.3	44%	0.435	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	139.8	-174.4	-173.2	-174.9	176.3	-162.8	0	111.2	H41 E86 E129	H41-K127 HydrophobicContact CB-CB 4.04Å; H41-K127 PolarHBondContact N-O 3.32Å; H41-K127 PolarHBondContact O-N 3.46Å; E86-K127 WeakPolarHBondContact OE1-CA 3.26Å; K127-E129 IonicContact NZ-OE2 3.5Å
128	I	98.1	Very high	89.7	Confident	17 Å²	17	74.9 Å²	74.9	9%	0.087	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	113.6	165.3	-59	171.7	0	0	0	107.1	T32 D38 L40 E86 L125	T32-I128 HydrophobicContact CG2-CB 4.47Å; T32-I128 HydrophobicContact CG2-CD1 3.88Å; T32-I128 HydrophobicContact CG2-CG2 4.16Å; D38-I128 HydrophobicContact CB-CG2 3.91Å; D38-I128 WeakPolarHBondContact OD2-CG2 3.28Å; L40-I128 HydrophobicContact CD2-CG1 4.02Å; L40-I128 HydrophobicContact CD2-CG2 4.37Å; E86-I128 HydrophobicContact CG-CB 4.48Å; E86-I128 HydrophobicContact CG-CD1 4.17Å; E86-I128 HydrophobicContact CG-CG1 3.93Å; E86-I128 PolarHBondContact OE1-N 3.12Å; L125-I128 HydrophobicContact CD1-CG1 4.39Å; L125-I128 HydrophobicContact CD2-CD1 4.02Å; L125-I128 HydrophobicContact CD2-CG1 3.81Å; L125-I128 HydrophobicContact CG-CG1 4.35Å
129	E	97.7	Very high	89.2	Confident	77 Å²	77	76.5 Å²	76.5	36%	0.36	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.2	170.3	176.1	174.5	163.6	0	0	108.8	I39 H41 K127	I39-E129 HydrophobicContact CB-CB 4.11Å; I39-E129 PolarHBondContact N-O 2.84Å; I39-E129 PolarHBondContact O-N 2.83Å; H41-E129 IonicContact CE1-OE2 3.71Å; H41-E129 IonicContact NE2-OE2 2.68Å; H41-E129 PolarHBondContact NE2-OE2 2.79Å; K127-E129 IonicContact NZ-OE2 3.5Å
130	R	95.7	Very high	88.7	Confident	100 Å²	100	81.3 Å²	81.3	38%	0.377	39%	0.393	S	S	.	.			trans	-109.3	108.5	179.1	-177.5	168.5	-67	144.2	8.6	108.3	K33 D38 D132	K33-R130 PolarHBondContact O-NH2 2.65Å; D38-R130 IonicContact OD1-CZ 3.68Å; D38-R130 IonicContact OD1-NE 3.13Å; D38-R130 PolarHBondContact OD1-NE 2.73Å; D38-R130 IonicContact OD1-NH2 2.76Å; D38-R130 PolarHBondContact OD1-NH2 2.77Å; D38-R130 VanDerWaalsContact OD1-NH2 3.13Å; D38-R130 IonicContact OD2-CZ 3.67Å; D38-R130 IonicContact OD2-NE 2.8Å; D38-R130 IonicContact OD2-NH2 2.83Å; D38-R130 PolarHBondContact OD2-NH2 2.79Å; R130-D132 PolarHBondContact O-N 3.46Å
131	P	87.5	Confident	88	Confident	73 Å²	73	84.9 Å²	84.9	47%	0.474	41%	0.408	S	S	.	.			trans	-59.3	128.9	173	-21.3	32.4	0	0	0	109.5	I39 R133	I39-P131 HydrophobicContact CD1-CG 4.25Å; P131-R133 PolarHBondContact O-N 2.93Å
132	D	82.1	Confident	87.3	Confident	151 Å²	151	90.5 Å²	90.5	81%	0.807	44%	0.435	S	S	*	.			trans	-59.9	119.3	170.2	-70.6	-34.5	0	0	0	107.9	R130 D134	R130-D132 PolarHBondContact O-N 3.46Å; D132-D134 PolarHBondContact O-N 3.45Å
133	R	65.8	Low	86.4	Confident	235 Å²	235	95.2 Å²	95.2	89%	0.887	46%	0.458	S	S	*	.			trans	-81.8	2.3	173.4	-99.9	-171.9	-165.7	-148.3	2.8	113.1	P131	P131-R133 PolarHBondContact O-N 2.93Å
134	D	58.2	Low	85.4	Confident	144 Å²	144	103.2 Å²	103.2	77%	0.77	50%	0.497	S	S	*	.			trans	-119.1	85.4	-172.4	-62.5	-24.3	0	0	0	110.8	D132	D132-D134 PolarHBondContact O-N 3.45Å
135	L	46.9	Very low	84.2	Confident	249 Å²	249	108.5 Å²	108.5	100%	1.304	52%	0.523	S	S	*	.			trans	-133	0	142.6	-73	-177.4	0	0	0	108.7

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