A0A077YXJ4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXJ4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 aa.

						>A0A077YXJ4_TRITR|A0A077YXJ4
MVTVIAVAVLLSTLINSLQAAAVVAAAPSQKTLVRVPLNEDSSFIHYVSNPLPAVAVEDASYIDDRALLTTSDAAGALHSCYNVFTTQLSAPLVAKAIVKYRSEGYVPIIGHPYYSDYRYHYYRLPSWAYLTELNKAAAAKKSA
					

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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	55.7	Low	50.1	Low	200 Å²	200	107.5 Å²	107.5	99%	0.985	63%	0.628	S	S	*	*				0	-44	0	-74	179.7	82.6	0	0	112.7	T3 V4	M1-T3 PolarHBondContact O-N 3.33Å; M1-V4 PolarHBondContact O-N 3.34Å
2	V	52.5	Low	49.8	Very low	125 Å²	125	103 Å²	103	76%	0.758	61%	0.607	S	S	*	*	H	α-helix	trans	-59.3	-38.7	-178.7	-177.4	0	0	0	0	113.9	V4 I5 A6	V2-V4 PolarHBondContact O-N 3.23Å; V2-I5 PolarHBondContact O-N 3.45Å; V2-A6 PolarHBondContact O-N 3.03Å
3	T	50.6	Low	49.2	Very low	110 Å²	110	101.3 Å²	101.3	68%	0.675	60%	0.598	S	S	*	*	H	α-helix	trans	-66.7	-31.9	-179.3	35.4	0	0	0	0	114.2	M1 V7	M1-T3 PolarHBondContact O-N 3.33Å; T3-V7 PolarHBondContact O-N 3.34Å
4	V	51.3	Low	48.2	Very low	108 Å²	108	101.2 Å²	101.2	66%	0.655	59%	0.593	S	S	*	*	H	α-helix	trans	-71.2	-36	179	-179.5	0	0	0	0	111	M1 V2 A8	M1-V4 PolarHBondContact O-N 3.34Å; V2-V4 PolarHBondContact O-N 3.23Å; V4-A8 PolarHBondContact O-N 3.12Å
5	I	51.6	Low	48	Very low	112 Å²	112	100.5 Å²	100.5	57%	0.574	58%	0.584	S	S	*	*	H	α-helix	trans	-67.1	-42.5	179.5	-60.2	171.6	0	0	0	110.5	V2 V7 A8 V9	V2-I5 PolarHBondContact O-N 3.45Å; I5-V7 VanDerWaalsContact C-N 3.33Å; I5-V7 PolarHBondContact O-N 3.42Å; I5-A8 PolarHBondContact O-N 2.9Å; I5-V9 HydrophobicContact CG2-CG2 4.44Å; I5-V9 WeakPolarHBondContact O-CG2 3.42Å; I5-V9 PolarHBondContact O-N 3.3Å
6	A	47.5	Very low	47.5	Very low	57 Å²	57	100.3 Å²	100.3	47%	0.471	58%	0.58	S	S	.	*	H	α-helix	trans	-61.7	-39.8	-179.7	0	0	0	0	0	112.7	V2 V9 L10	V2-A6 PolarHBondContact O-N 3.03Å; A6-V9 PolarHBondContact O-N 3.3Å; A6-L10 PolarHBondContact O-N 2.85Å
7	V	52.7	Low	46.9	Very low	99 Å²	99	97.9 Å²	97.9	60%	0.6	57%	0.571	S	S	*	*	H	α-helix	trans	-66.6	-40.7	177.7	177.3	0	0	0	0	111.2	T3 I5 L10 L11	T3-V7 PolarHBondContact O-N 3.34Å; I5-V7 VanDerWaalsContact C-N 3.33Å; I5-V7 PolarHBondContact O-N 3.42Å; V7-L10 PolarHBondContact O-N 3.47Å; V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 2.92Å
8	A	46.2	Very low	46	Very low	58 Å²	58	98.6 Å²	98.6	48%	0.479	57%	0.571	S	S	.	*	H	α-helix	trans	-65.9	-38.5	177.7	0	0	0	0	0	112.8	V4 I5 L11 S12	V4-A8 PolarHBondContact O-N 3.12Å; I5-A8 PolarHBondContact O-N 2.9Å; A8-L11 PolarHBondContact O-N 3.46Å; A8-S12 WeakPolarHBondContact O-CB 3.29Å; A8-S12 PolarHBondContact O-N 2.93Å; A8-S12 PolarHBondContact O-OG 3.27Å
9	V	49.1	Very low	45.3	Very low	82 Å²	82	99.4 Å²	99.4	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-65.7	-44.8	175	176.2	0	0	0	0	110.6	I5 A6 L11 S12 T13	I5-V9 HydrophobicContact CG2-CG2 4.44Å; I5-V9 WeakPolarHBondContact O-CG2 3.42Å; I5-V9 PolarHBondContact O-N 3.3Å; A6-V9 PolarHBondContact O-N 3.3Å; V9-L11 PolarHBondContact O-N 3.41Å; V9-S12 WeakPolarHBondContact CA-OG 3.36Å; V9-S12 PolarHBondContact O-N 2.83Å; V9-S12 PolarHBondContact O-OG 3.31Å; V9-T13 WeakPolarHBondContact O-CG2 3.48Å; V9-T13 PolarHBondContact O-N 2.98Å; V9-T13 PolarHBondContact O-OG1 3.49Å
10	L	46.2	Very low	44.6	Very low	128 Å²	128	97.5 Å²	97.5	67%	0.67	57%	0.566	S	S	*	*	H	α-helix	trans	-61.2	-44.9	176.5	-114.9	96	0	0	0	111.6	A6 V7 S12 T13 L14	A6-L10 PolarHBondContact O-N 2.85Å; V7-L10 PolarHBondContact O-N 3.47Å; L10-S12 PolarHBondContact O-N 3.37Å; L10-T13 WeakPolarHBondContact CA-OG1 3.46Å; L10-T13 PolarHBondContact O-N 3.38Å; L10-T13 PolarHBondContact O-OG1 3.34Å; L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 PolarHBondContact O-N 3Å
11	L	47.7	Very low	43.7	Very low	103 Å²	103	96 Å²	96	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-41.7	-178.9	-142.8	79.7	0	0	0	111.7	V7 A8 V9 L14 I15	V7-L11 WeakPolarHBondContact O-CB 3.38Å; V7-L11 PolarHBondContact O-N 2.92Å; A8-L11 PolarHBondContact O-N 3.46Å; V9-L11 PolarHBondContact O-N 3.41Å; L11-L14 PolarHBondContact O-N 3.34Å; L11-I15 HydrophobicContact CG-CD1 4.46Å; L11-I15 WeakPolarHBondContact O-CD1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 2.94Å; L11-I15 PolarHBondContact O-N 2.73Å
12	S	46.6	Very low	42.2	Very low	54 Å²	54	89.1 Å²	89.1	38%	0.378	54%	0.54	S	S	.	.	H	α-helix	trans	-69.3	-35.8	177.4	45.7	0	0	0	0	112.5	A8 V9 L10 L14 I15 N16	A8-S12 WeakPolarHBondContact O-CB 3.29Å; A8-S12 PolarHBondContact O-N 2.93Å; A8-S12 PolarHBondContact O-OG 3.27Å; V9-S12 WeakPolarHBondContact CA-OG 3.36Å; V9-S12 PolarHBondContact O-N 2.83Å; V9-S12 PolarHBondContact O-OG 3.31Å; L10-S12 PolarHBondContact O-N 3.37Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 2.74Å; S12-I15 PolarHBondContact O-N 2.96Å; S12-N16 WeakPolarHBondContact O-CB 3.42Å; S12-N16 VanDerWaalsContact O-CG 3.27Å; S12-N16 PolarHBondContact O-N 3.29Å; S12-N16 PolarHBondContact O-ND2 3.38Å
13	T	42.3	Very low	41	Very low	81 Å²	81	88.3 Å²	88.3	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-65.4	-35.6	170.5	56.4	0	0	0	0	112.7	V9 L10 S17	V9-T13 WeakPolarHBondContact O-CG2 3.48Å; V9-T13 PolarHBondContact O-N 2.98Å; V9-T13 PolarHBondContact O-OG1 3.49Å; L10-T13 WeakPolarHBondContact CA-OG1 3.46Å; L10-T13 PolarHBondContact O-N 3.38Å; L10-T13 PolarHBondContact O-OG1 3.34Å; T13-S17 WeakPolarHBondContact O-CB 3.4Å; T13-S17 PolarHBondContact O-N 2.93Å; T13-S17 PolarHBondContact O-OG 3.42Å
14	L	34.9	Very low	39.9	Very low	100 Å²	100	89.4 Å²	89.4	52%	0.524	54%	0.541	S	S	.	.	H	α-helix	trans	-71.2	-40	176.5	-164	76.7	0	0	0	111.6	L10 L11 S12 N16 S17 L18	L10-L14 WeakPolarHBondContact O-CB 3.23Å; L10-L14 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.34Å; S12-L14 VanDerWaalsContact C-N 3.33Å; S12-L14 PolarHBondContact O-N 2.74Å; L14-N16 VanDerWaalsContact C-N 3.34Å; L14-S17 WeakPolarHBondContact CA-OG 3.22Å; L14-S17 PolarHBondContact O-N 3.49Å; L14-S17 PolarHBondContact O-OG 3.28Å; L14-L18 HydrophobicContact CD1-CD1 4.46Å; L14-L18 HydrophobicContact CD2-CD1 4.49Å; L14-L18 HydrophobicContact CG-CD1 3.92Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 WeakPolarHBondContact O-CD1 3.26Å; L14-L18 PolarHBondContact O-N 3.35Å
15	I	44.7	Very low	38.7	Very low	90 Å²	90	88.4 Å²	88.4	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-64.8	-41.8	174.7	-67.2	161.1	0	0	0	110	L11 S12 L18 Q19	L11-I15 HydrophobicContact CG-CD1 4.46Å; L11-I15 WeakPolarHBondContact O-CD1 3.31Å; L11-I15 WeakPolarHBondContact O-CG1 2.94Å; L11-I15 PolarHBondContact O-N 2.73Å; S12-I15 PolarHBondContact O-N 2.96Å; I15-L18 PolarHBondContact O-N 2.96Å; I15-Q19 WeakPolarHBondContact O-CB 3.3Å; I15-Q19 PolarHBondContact O-N 3.43Å
16	N	40.9	Very low	37.4	Very low	98 Å²	98	86.3 Å²	86.3	52%	0.524	54%	0.544	S	S	.	.	H	α-helix	trans	-68.7	-35.1	176.3	-75.2	-19.6	0	0	0	112.4	S12 L14 Q19 A20	S12-N16 WeakPolarHBondContact O-CB 3.42Å; S12-N16 VanDerWaalsContact O-CG 3.27Å; S12-N16 PolarHBondContact O-N 3.29Å; S12-N16 PolarHBondContact O-ND2 3.38Å; L14-N16 VanDerWaalsContact C-N 3.34Å; N16-Q19 PolarHBondContact O-N 2.86Å; N16-A20 VanDerWaalsContact O-CB 3.27Å; N16-A20 WeakPolarHBondContact O-CB 3.44Å; N16-A20 PolarHBondContact O-N 3.37Å
17	S	36.2	Very low	36.4	Very low	60 Å²	60	87.6 Å²	87.6	42%	0.42	56%	0.555	S	S	.	*	H	α-helix	trans	-73.7	-35.3	175.6	68.2	0	0	0	0	111.9	T13 L14 A20 A21	T13-S17 WeakPolarHBondContact O-CB 3.4Å; T13-S17 PolarHBondContact O-N 2.93Å; T13-S17 PolarHBondContact O-OG 3.42Å; L14-S17 WeakPolarHBondContact CA-OG 3.22Å; L14-S17 PolarHBondContact O-N 3.49Å; L14-S17 PolarHBondContact O-OG 3.28Å; S17-A20 PolarHBondContact O-N 2.9Å; S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 2.78Å
18	L	31.9	Very low	35.2	Very low	109 Å²	109	87 Å²	87	57%	0.571	55%	0.553	S	S	*	*	H	α-helix	trans	-68.3	-37.2	169.2	-98.5	108.3	0	0	0	112.1	L14 I15 A21 A22	L14-L18 HydrophobicContact CD1-CD1 4.46Å; L14-L18 HydrophobicContact CD2-CD1 4.49Å; L14-L18 HydrophobicContact CG-CD1 3.92Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 WeakPolarHBondContact O-CD1 3.26Å; L14-L18 PolarHBondContact O-N 3.35Å; I15-L18 PolarHBondContact O-N 2.96Å; L18-A21 PolarHBondContact O-N 3.18Å; L18-A22 WeakPolarHBondContact O-CA 3.37Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 2.75Å
19	Q	31.6	Very low	34.2	Very low	115 Å²	115	89.2 Å²	89.2	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-67.7	-41.2	172.4	-87.2	-178.5	-34.7	0	0	110.7	I15 N16 A21 A22 V23	I15-Q19 WeakPolarHBondContact O-CB 3.3Å; I15-Q19 PolarHBondContact O-N 3.43Å; N16-Q19 PolarHBondContact O-N 2.86Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.32Å; Q19-A22 PolarHBondContact O-N 3.42Å; Q19-V23 WeakPolarHBondContact O-CB 3.31Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 2.74Å
20	A	31.8	Very low	33.1	Very low	61 Å²	61	93.7 Å²	93.7	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-62.3	-41.3	173.7	0	0	0	0	0	111.3	N16 S17 V24	N16-A20 VanDerWaalsContact O-CB 3.27Å; N16-A20 WeakPolarHBondContact O-CB 3.44Å; N16-A20 PolarHBondContact O-N 3.37Å; S17-A20 PolarHBondContact O-N 2.9Å; A20-V24 WeakPolarHBondContact O-CG2 3.4Å; A20-V24 PolarHBondContact O-N 3.3Å
21	A	26.1	Very low	32.3	Very low	65 Å²	65	97 Å²	97	54%	0.537	59%	0.589	S	S	.	*	H	α-helix	trans	-71.9	-35.6	176.8	0	0	0	0	0	112.8	S17 L18 Q19 V24	S17-A21 WeakPolarHBondContact O-CB 3.42Å; S17-A21 PolarHBondContact O-N 2.78Å; L18-A21 PolarHBondContact O-N 3.18Å; Q19-A21 VanDerWaalsContact C-N 3.32Å; Q19-A21 PolarHBondContact O-N 3.32Å; A21-V24 WeakPolarHBondContact O-CB 3.44Å; A21-V24 PolarHBondContact O-N 2.78Å
22	A	23.9	Very low	31.2	Very low	57 Å²	57	96.6 Å²	96.6	47%	0.471	59%	0.591	S	S	.	*	H	α-helix	trans	-78.4	-27.5	177.3	0	0	0	0	0	112.3	L18 Q19 V24 A25 A26	L18-A22 WeakPolarHBondContact O-CA 3.37Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 2.75Å; Q19-A22 PolarHBondContact O-N 3.42Å; A22-V24 PolarHBondContact O-N 3.15Å; A22-A25 CarbonylContact O-C 3.42Å; A22-A25 WeakPolarHBondContact O-CA 3.44Å; A22-A25 PolarHBondContact O-N 2.62Å; A22-A26 PolarHBondContact O-N 3.39Å
23	V	26.9	Very low	30.2	Very low	107 Å²	107	100 Å²	100	65%	0.648	60%	0.604	S	S	*	*	H	α-helix	trans	-67.3	-21.3	170.3	168.4	0	0	0	0	110.8	Q19 A25	Q19-V23 WeakPolarHBondContact O-CB 3.31Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 2.74Å; V23-A25 VanDerWaalsContact C-N 3.29Å
24	V	27.2	Very low	29.4	Very low	133 Å²	133	97.3 Å²	97.3	81%	0.806	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-17.8	168	-178.2	0	0	0	0	112.2	A20 A21 A22	A20-V24 WeakPolarHBondContact O-CG2 3.4Å; A20-V24 PolarHBondContact O-N 3.3Å; A21-V24 WeakPolarHBondContact O-CB 3.44Å; A21-V24 PolarHBondContact O-N 2.78Å; A22-V24 PolarHBondContact O-N 3.15Å
25	A	27.1	Very low	29	Very low	87 Å²	87	102.5 Å²	102.5	72%	0.719	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	-5.3	177.7	0	0	0	0	0	114.5	A22 V23 A27	A22-A25 CarbonylContact O-C 3.42Å; A22-A25 WeakPolarHBondContact O-CA 3.44Å; A22-A25 PolarHBondContact O-N 2.62Å; V23-A25 VanDerWaalsContact C-N 3.29Å; A25-A27 PolarHBondContact O-N 3.34Å
26	A	24.3	Very low	28.3	Very low	69 Å²	69	98.4 Å²	98.4	57%	0.57	58%	0.58	S	S	*	*	S	Bend	trans	-77.5	106.1	179.7	0	0	0	0	0	110.6	A22	A22-A26 PolarHBondContact O-N 3.39Å
27	A	25.7	Very low	27.8	Very low	84 Å²	84	98.7 Å²	98.7	69%	0.694	59%	0.587	S	S	*	*			trans	-43.3	137.5	177.3	0	0	0	0	0	112.8	A25 S29	A25-A27 PolarHBondContact O-N 3.34Å; A27-S29 PolarHBondContact O-N 2.89Å
28	P	27.2	Very low	27.5	Very low	86 Å²	86	97.4 Å²	97.4	56%	0.558	58%	0.575	S	S	*	*			trans	-68.3	108.3	-169.7	26	-33.8	0	0	0	112.7	N50	P28-N50 HydrophobicContact CB-CB 3.28Å; P28-N50 HydrophobicContact CG-CB 3.9Å
29	S	25.6	Very low	27.5	Very low	104 Å²	104	99.4 Å²	99.4	73%	0.727	59%	0.586	S	S	*	*			trans	-119.4	95.2	175.2	158.4	0	0	0	0	109.6	A27	A27-S29 PolarHBondContact O-N 2.89Å
30	Q	26.9	Very low	28	Very low	177 Å²	177	103.3 Å²	103.3	83%	0.827	61%	0.605	S	S	*	*			trans	161.8	120	133.4	-94	179.8	-20	0	0	109.3	T32	Q30-T32 PolarHBondContact O-N 2.94Å
31	K	27.6	Very low	28.4	Very low	198 Å²	198	107.9 Å²	107.9	86%	0.861	62%	0.62	S	S	*	*			trans	-71.8	114.1	179.7	-58.2	172.4	-178.1	179	0	108.2
32	T	26.2	Very low	28.6	Very low	93 Å²	93	107.9 Å²	107.9	57%	0.571	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.2	122.4	168.7	-56.8	0	0	0	0	108.6	Q30	Q30-T32 PolarHBondContact O-N 2.94Å
33	L	25	Very low	28.9	Very low	125 Å²	125	108.6 Å²	108.6	65%	0.654	62%	0.618	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.9	118.6	178	-96.7	137.6	0	0	0	108.7	I45	L33-I45 HydrophobicContact CD2-CG2 4.25Å
34	V	26.5	Very low	29.2	Very low	26 Å²	26	107.2 Å²	107.2	16%	0.158	60%	0.603	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.3	120.3	172	173.4	0	0	0	0	108.3	V36 S72	V34-V36 HydrophobicContact CG1-CG2 4.2Å; V34-S72 VanDerWaalsContact CG1-CB 3.41Å; V34-S72 WeakPolarHBondContact CG1-OG 3.36Å; V34-S72 WeakPolarHBondContact CG2-OG 3.4Å
35	R	26.1	Very low	29.4	Very low	209 Å²	209	104.3 Å²	104.3	79%	0.789	58%	0.583	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-92	124.7	174.3	-82.9	-175.8	173.3	-153.9	-2.4	109.6
36	V	30.2	Very low	29.8	Very low	4 Å²	4	103.6 Å²	103.6	2%	0.024	56%	0.564	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.2	114.4	176.1	179.1	0	0	0	0	108.7	V34 L38 F44 T70	V34-V36 HydrophobicContact CG1-CG2 4.2Å; V36-L38 HydrophobicContact CG1-CD1 4.47Å; V36-F44 HydrophobicContact CB-CB 4.26Å; V36-F44 PolarHBondContact O-N 3.47Å; V36-F44 VanDerWaalsContact O-N 3.15Å; V36-T70 HydrophobicContact CG1-CG2 3.32Å; V36-T70 WeakPolarHBondContact CG1-OG1 3.21Å; V36-T70 WeakPolarHBondContact CG2-OG1 3.45Å
37	P	28.7	Very low	30.2	Very low	104 Å²	104	108 Å²	108	68%	0.675	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78.5	122.8	-179.9	29.1	-30.7	0	0	0	110.7
38	L	31.1	Very low	30.4	Very low	33 Å²	33	107.7 Å²	107.7	17%	0.173	56%	0.556	C	S	.	*			trans	-116.9	85.5	169.1	-56.6	106.9	0	0	0	108.4	V36 S42 F44 L68	V36-L38 HydrophobicContact CG1-CD1 4.47Å; L38-S42 CarbonylContact C-O 3.46Å; L38-S42 WeakPolarHBondContact CA-O 3.47Å; L38-S42 PolarHBondContact N-O 3.41Å; L38-S42 VanDerWaalsContact O-O 3.14Å; L38-F44 HydrophobicContact CD1-CB 3.88Å; L38-F44 HydrophobicContact CD1-CD1 3.99Å; L38-F44 HydrophobicContact CD1-CD2 2.9Å; L38-F44 HydrophobicContact CD1-CE1 4.21Å; L38-F44 HydrophobicContact CD1-CE2 3.17Å; L38-F44 HydrophobicContact CD1-CG 3.29Å; L38-F44 HydrophobicContact CD1-CZ 3.82Å; L38-F44 HydrophobicContact CD2-CD2 3.75Å; L38-F44 HydrophobicContact CD2-CE2 3.16Å; L38-F44 HydrophobicContact CD2-CZ 3.93Å; L38-F44 HydrophobicContact CG-CD2 3.79Å; L38-F44 HydrophobicContact CG-CE2 3.68Å; L38-F44 HydrophobicContact CG-CZ 4.41Å; L38-L68 HydrophobicContact CD2-CB 4.44Å
39	N	32.4	Very low	30.7	Very low	150 Å²	150	108.6 Å²	108.6	80%	0.802	57%	0.565	S	S	*	*	S	Bend	trans	58.1	168.6	-173.8	-56.8	-27	0	0	0	112.5	D41 S42	N39-D41 PolarHBondContact O-N 3.3Å; N39-S42 PolarHBondContact O-N 2.86Å
40	E	41.1	Very low	31.1	Very low	198 Å²	198	108.6 Å²	108.6	93%	0.925	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-15.9	-161.9	-64.7	-175.1	151.2	0	0	114.5
41	D	40.5	Very low	31.6	Very low	156 Å²	156	104.2 Å²	104.2	83%	0.834	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	7.7	-173.5	-64.9	-42.5	0	0	0	115.5	N39	N39-D41 PolarHBondContact O-N 3.3Å
42	S	29.4	Very low	32.2	Very low	66 Å²	66	98.9 Å²	98.9	46%	0.462	52%	0.524	S	S	.	.			trans	-148.1	125.6	-179.4	-64.9	0	0	0	0	113.7	L38 N39	L38-S42 CarbonylContact C-O 3.46Å; L38-S42 WeakPolarHBondContact CA-O 3.47Å; L38-S42 PolarHBondContact N-O 3.41Å; L38-S42 VanDerWaalsContact O-O 3.14Å; N39-S42 PolarHBondContact O-N 2.86Å
43	S	30.7	Very low	33.2	Very low	71 Å²	71	95.2 Å²	95.2	50%	0.497	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124	178.1	63.4	0	0	0	0	111.1
44	F	32.8	Very low	34.3	Very low	78 Å²	78	91 Å²	91	34%	0.342	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	139	167.9	-74	-42.4	0	0	0	110.3	V36 L38	V36-F44 HydrophobicContact CB-CB 4.26Å; V36-F44 PolarHBondContact O-N 3.47Å; V36-F44 VanDerWaalsContact O-N 3.15Å; L38-F44 HydrophobicContact CD1-CB 3.88Å; L38-F44 HydrophobicContact CD1-CD1 3.99Å; L38-F44 HydrophobicContact CD1-CD2 2.9Å; L38-F44 HydrophobicContact CD1-CE1 4.21Å; L38-F44 HydrophobicContact CD1-CE2 3.17Å; L38-F44 HydrophobicContact CD1-CG 3.29Å; L38-F44 HydrophobicContact CD1-CZ 3.82Å; L38-F44 HydrophobicContact CD2-CD2 3.75Å; L38-F44 HydrophobicContact CD2-CE2 3.16Å; L38-F44 HydrophobicContact CD2-CZ 3.93Å; L38-F44 HydrophobicContact CG-CD2 3.79Å; L38-F44 HydrophobicContact CG-CE2 3.68Å; L38-F44 HydrophobicContact CG-CZ 4.41Å
45	I	32.6	Very low	35.6	Very low	73 Å²	73	91 Å²	91	37%	0.374	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	107.8	178.1	-55.3	176.5	0	0	0	108.1	L33 Y47	L33-I45 HydrophobicContact CD2-CG2 4.25Å; I45-Y47 HydrophobicContact CB-CE2 4.26Å; I45-Y47 HydrophobicContact CG2-CD2 4.15Å; I45-Y47 HydrophobicContact CG2-CE1 4.29Å; I45-Y47 HydrophobicContact CG2-CE2 3.5Å
46	H	35.6	Very low	36.7	Very low	71 Å²	71	82.6 Å²	82.6	33%	0.329	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	127.8	172	-85.8	-90.8	0	0	0	110.7
47	Y	31.4	Very low	37.8	Very low	162 Å²	162	83.5 Å²	83.5	64%	0.635	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	105.7	171.1	-65.8	-86	0	0	0	109.3	I45	I45-Y47 HydrophobicContact CB-CE2 4.26Å; I45-Y47 HydrophobicContact CG2-CD2 4.15Å; I45-Y47 HydrophobicContact CG2-CE1 4.29Å; I45-Y47 HydrophobicContact CG2-CE2 3.5Å
48	V	31.8	Very low	38.9	Very low	77 Å²	77	80.9 Å²	80.9	47%	0.467	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	92.4	173.3	-173.3	0	0	0	0	109.1
49	S	33.6	Very low	39.8	Very low	105 Å²	105	82.9 Å²	82.9	73%	0.734	46%	0.455	S	S	*	.			trans	-89.8	116.7	150.2	60.2	0	0	0	0	107
50	N	32.6	Very low	40.4	Very low	105 Å²	105	78.6 Å²	78.6	56%	0.561	44%	0.44	S	S	*	.	S	Bend	trans	-40.8	140.2	171.5	-148.8	7.2	0	0	0	111.6	P28	P28-N50 HydrophobicContact CB-CB 3.28Å; P28-N50 HydrophobicContact CG-CB 3.9Å
51	P	37	Very low	40.1	Very low	84 Å²	84	74.3 Å²	74.3	55%	0.545	43%	0.432	S	S	.	.	S	Bend	cis	-131.6	166.6	8.3	39.7	-21.5	0	0	0	115.8	R124	P51-R124 PolarHBondContact O-NH2 3.31Å
52	L	41.6	Very low	39.7	Very low	87 Å²	87	77.7 Å²	77.7	46%	0.455	44%	0.435	S	S	.	.	S	Bend	trans	84.3	133.2	-178.9	-65.5	163	0	0	0	115	A54 R124	L52-A54 PolarHBondContact O-N 3.19Å; L52-R124 HydrophobicContact CB-CG 4.21Å
53	P	47.6	Very low	39.8	Very low	15 Å²	15	81.6 Å²	81.6	10%	0.097	45%	0.449	C	S	.	.			trans	-49.7	124.7	174.5	28.6	-43.8	0	0	0	110.6	L78 C81 L125	P53-L78 HydrophobicContact CB-CD2 4.17Å; P53-C81 HydrophobicContact CB-CB 3.55Å; P53-C81 WeakPolarHBondContact CB-SG 3.39Å; P53-C81 HydrophobicContact CG-CB 3.62Å; P53-C81 WeakPolarHBondContact CG-SG 3.38Å; P53-L125 HydrophobicContact CB-CB 3.98Å; P53-L125 HydrophobicContact CB-CD1 3.98Å; P53-L125 HydrophobicContact CB-CG 4.32Å; P53-L125 HydrophobicContact CG-CB 3.76Å; P53-L125 WeakPolarHBondContact O-CB 3.33Å; P53-L125 PolarHBondContact O-N 2.96Å
54	A	46.8	Very low	39.9	Very low	37 Å²	37	85.2 Å²	85.2	31%	0.306	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.4	175.5	0	0	0	0	0	110.3	L52 Y114 Y123	L52-A54 PolarHBondContact O-N 3.19Å; A54-Y114 HydrophobicContact CB-CE1 4.23Å; A54-Y123 CarbonylContact C-O 3.24Å; A54-Y123 WeakPolarHBondContact CA-O 3.45Å; A54-Y123 WeakPolarHBondContact CB-O 3.02Å
55	V	55.1	Low	39.7	Very low	27 Å²	27	88.9 Å²	88.9	16%	0.164	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.9	172.8	177.2	0	0	0	0	107.5	V57 Y123 L125	V55-V57 HydrophobicContact CG1-CG2 4.2Å; V55-Y123 PolarHBondContact N-O 2.79Å; V55-Y123 PolarHBondContact O-N 2.82Å; V55-L125 HydrophobicContact CG2-CD1 3.78Å; V55-L125 HydrophobicContact CG2-CD2 3.84Å; V55-L125 HydrophobicContact CG2-CG 3.99Å
56	A	49.3	Very low	39.4	Very low	32 Å²	32	95.3 Å²	95.3	26%	0.264	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.1	172.3	0	0	0	0	0	108.9	Y120 H121 Y122	A56-Y120 HydrophobicContact CB-CD1 4.37Å; A56-H121 CarbonylContact C-O 3.45Å; A56-H121 WeakPolarHBondContact CA-O 3.48Å; A56-Y122 HydrophobicContact CB-CD1 3.74Å; A56-Y122 HydrophobicContact CB-CE1 3.71Å
57	V	52.8	Low	39.1	Very low	22 Å²	22	94.7 Å²	94.7	13%	0.133	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.4	-179.9	-173.9	0	0	0	0	108.5	V55 I98 R102 Y120 H121 Y123	V55-V57 HydrophobicContact CG1-CG2 4.2Å; V57-I98 HydrophobicContact CG1-CG2 4Å; V57-I98 HydrophobicContact CG2-CG2 3.84Å; V57-R102 PolarHBondContact O-NH2 2.82Å; V57-Y120 CarbonylContact O-C 3.48Å; V57-Y120 WeakPolarHBondContact O-CA 3.21Å; V57-H121 PolarHBondContact N-O 3.32Å; V57-H121 PolarHBondContact O-N 3.23Å; V57-Y123 HydrophobicContact CB-CE2 4.15Å; V57-Y123 HydrophobicContact CG2-CD2 3.96Å; V57-Y123 HydrophobicContact CG2-CE2 3.79Å
58	E	51	Low	38.9	Very low	49 Å²	49	92.4 Å²	92.4	23%	0.229	51%	0.511	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	128.7	-174.6	-168.8	171	-160.8	0	0	112.4	A60 R102 R119 Y120	E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 HydrophobicContact CG-CB 4.05Å; E58-A60 PolarHBondContact O-N 3.32Å; E58-R102 PolarHBondContact O-NH1 3.28Å; E58-R102 PolarHBondContact O-NH2 2.99Å; E58-R119 CarbonylContact C-O 3.59Å; E58-R119 VanDerWaalsContact CA-O 3.29Å; E58-R119 WeakPolarHBondContact CA-O 3.43Å; E58-R119 HydrophobicContact CG-CG 4.17Å; E58-R119 IonicContact OE1-CZ 3.21Å; E58-R119 IonicContact OE1-NE 2.79Å; E58-R119 PolarHBondContact OE1-NE 3.47Å; E58-R119 IonicContact OE1-NH2 2.75Å; E58-R119 PolarHBondContact OE1-NH2 3.5Å; E58-Y120 VanDerWaalsContact CA-CD1 3.4Å; E58-Y120 HydrophobicContact CB-CD1 3.68Å; E58-Y120 HydrophobicContact CB-CE1 3.43Å; E58-Y120 VanDerWaalsContact CB-CE1 3.43Å; E58-Y120 HydrophobicContact CG-CD1 4.06Å; E58-Y120 HydrophobicContact CG-CE1 3.58Å
59	D	50.6	Low	38.9	Very low	76 Å²	76	92.2 Å²	92.2	41%	0.406	51%	0.507	S	S	.	.			trans	-72.1	-16.7	-176.3	-145.7	27.3	0	0	0	114.7	S61 R102 R119 H121	D59-S61 PolarHBondContact O-N 2.94Å; D59-R102 VanDerWaalsContact N-NH2 3.1Å; D59-R102 IonicContact OD1-CZ 3.71Å; D59-R102 IonicContact OD1-NE 3.61Å; D59-R102 IonicContact OD1-NH2 3.41Å; D59-R102 PolarHBondContact OD1-NH2 2.98Å; D59-R119 WeakPolarHBondContact CB-O 3.25Å; D59-R119 PolarHBondContact N-O 3Å; D59-H121 IonicContact OD1-NE2 3.65Å
60	A	45.6	Very low	38.6	Very low	59 Å²	59	89.7 Å²	89.7	49%	0.488	49%	0.487	S	S	.	.			trans	-64.7	121.5	179.1	0	0	0	0	0	111.5	E58	E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 HydrophobicContact CG-CB 4.05Å; E58-A60 PolarHBondContact O-N 3.32Å
61	S	33.6	Very low	38.3	Very low	108 Å²	108	89.6 Å²	89.6	76%	0.755	49%	0.491	S	S	*	.	S	Bend	trans	-40.3	136.5	168.4	44.5	0	0	0	0	114.2	D59	D59-S61 PolarHBondContact O-N 2.94Å
62	Y	31.5	Very low	38	Very low	228 Å²	228	87.3 Å²	87.3	89%	0.894	48%	0.477	S	S	*	.			trans	80.3	66.2	149.6	-135.4	-82.7	0	0	0	117.8
63	I	31.4	Very low	37.4	Very low	147 Å²	147	89.4 Å²	89.4	75%	0.754	49%	0.488	S	S	*	.			trans	-140.4	116.3	157.5	-55.4	-177.4	0	0	0	110.7
64	D	32.9	Very low	36.7	Very low	148 Å²	148	91.4 Å²	91.4	79%	0.791	51%	0.506	S	S	*	.			trans	2.8	145.2	162.8	-95.4	-49.4	0	0	0	121.1	R66	D64-R66 PolarHBondContact O-N 2.74Å
65	D	30.2	Very low	36.1	Very low	155 Å²	155	93.4 Å²	93.4	83%	0.829	52%	0.522	S	S	*	.	S	Bend	trans	-54.2	37.1	-173.5	-83.8	-38.4	0	0	0	118.4
66	R	25.1	Very low	34.8	Very low	208 Å²	208	95 Å²	95	79%	0.785	54%	0.544	S	S	*	.			trans	-140.4	77	-175.9	-61	-172.7	-177.7	-175.5	2.2	112.4	D64 L68	D64-R66 PolarHBondContact O-N 2.74Å; R66-L68 PolarHBondContact O-N 3.16Å
67	A	30.2	Very low	33.9	Very low	58 Å²	58	96.7 Å²	96.7	48%	0.479	56%	0.559	S	S	.	*			trans	-69.4	103	159.7	0	0	0	0	0	108.7	A95	A67-A95 HydrophobicContact CB-CB 3.66Å
68	L	26.9	Very low	32.8	Very low	113 Å²	113	99 Å²	99	59%	0.592	57%	0.569	S	S	*	*			trans	-93.7	112.4	172.6	-139.8	101.5	0	0	0	108.2	L38 R66	L38-L68 HydrophobicContact CD2-CB 4.44Å; R66-L68 PolarHBondContact O-N 3.16Å
69	L	31	Very low	31.8	Very low	73 Å²	73	100.3 Å²	100.3	38%	0.382	58%	0.576	S	S	.	*			trans	-88.9	128	175.8	-65	135	0	0	0	107.7	Y82 A91	L69-Y82 WeakPolarHBondContact CA-OH 3.39Å; L69-Y82 HydrophobicContact CB-CE2 4.01Å; L69-Y82 WeakPolarHBondContact CB-OH 3.4Å; L69-Y82 PolarHBondContact O-OH 3.25Å; L69-A91 HydrophobicContact CD1-CB 3.98Å
70	T	27.2	Very low	30.8	Very low	53 Å²	53	99.4 Å²	99.4	33%	0.325	58%	0.575	S	S	.	*			trans	-110.6	141.9	-176.8	63	0	0	0	0	112.6	V36	V36-T70 HydrophobicContact CG1-CG2 3.32Å; V36-T70 WeakPolarHBondContact CG1-OG1 3.21Å; V36-T70 WeakPolarHBondContact CG2-OG1 3.45Å
71	T	27.3	Very low	30.2	Very low	103 Å²	103	97.1 Å²	97.1	63%	0.632	56%	0.556	S	S	*	*			trans	-74.5	117.8	172.2	50.6	0	0	0	0	109.8
72	S	29.6	Very low	30.2	Very low	35 Å²	35	95.5 Å²	95.5	25%	0.245	53%	0.533	C	S	.	.			trans	-154.1	109.6	167.1	171.2	0	0	0	0	111.5	V34	V34-S72 VanDerWaalsContact CG1-CB 3.41Å; V34-S72 WeakPolarHBondContact CG1-OG 3.36Å; V34-S72 WeakPolarHBondContact CG2-OG 3.4Å
73	D	29.1	Very low	30.2	Very low	132 Å²	132	89 Å²	89	71%	0.706	51%	0.514	S	S	*	.	S	Bend		55.1	63	129.2	-48.1	-22.4	0	0	0	118.6
74	A	33.8	Very low	30.4	Very low	57 Å²	57	82.1 Å²	82.1	47%	0.471	48%	0.479	S	S	.	.			trans	-148.4	82	130.9	0	0	0	0	0	106.5	G76 A77 L78	A74-G76 PolarHBondContact O-N 3.13Å; A74-A77 PolarHBondContact O-N 3.09Å; A74-L78 HydrophobicContact CB-CD1 4.41Å
75	A	33.5	Very low	30.4	Very low	78 Å²	78	76.2 Å²	76.2	65%	0.645	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-16.5	-150.1	0	0	0	0	0	118.4	H79	A75-H79 PolarHBondContact O-CD2 3.26Å; A75-H79 VanDerWaalsContact O-CD2 3.28Å
76	G	29.3	Very low	30.6	Very low	60 Å²	60	71.6 Å²	71.6	62%	0.619	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-52.8	-179.7	0	0	0	0	0	114.4	A74	A74-G76 PolarHBondContact O-N 3.13Å
77	A	30	Very low	31.1	Very low	69 Å²	69	66 Å²	66	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-75.6	-52.1	-166.7	0	0	0	0	0	111.2	A74 S80 C81	A74-A77 PolarHBondContact O-N 3.09Å; A77-S80 PolarHBondContact O-N 2.82Å; A77-S80 PolarHBondContact O-OG 2.86Å; A77-C81 PolarHBondContact O-SG 2.95Å
78	L	30.2	Very low	31.5	Very low	69 Å²	69	67.5 Å²	67.5	36%	0.361	41%	0.41	S	S	.	.	H	α-helix	trans	-69	-37.9	-175.3	-70	168.5	0	0	0	112.6	P53 A74 S80 C81 Y82	P53-L78 HydrophobicContact CB-CD2 4.17Å; A74-L78 HydrophobicContact CB-CD1 4.41Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.49Å; L78-C81 WeakPolarHBondContact O-CB 3.48Å; L78-C81 PolarHBondContact O-N 3.18Å; L78-C81 VanDerWaalsContact O-N 3.13Å; L78-Y82 WeakPolarHBondContact O-CB 3.01Å; L78-Y82 PolarHBondContact O-N 3.23Å
79	H	28.1	Very low	32	Very low	77 Å²	77	64.6 Å²	64.6	36%	0.356	40%	0.395	S	S	.	.	H	α-helix	trans	-58.5	-37.3	176.6	-86.4	-91.1	0	0	0	112.4	A75 C81 Y82 N83	A75-H79 PolarHBondContact O-CD2 3.26Å; A75-H79 VanDerWaalsContact O-CD2 3.28Å; H79-C81 VanDerWaalsContact C-N 3.32Å; H79-C81 PolarHBondContact O-N 2.88Å; H79-Y82 PolarHBondContact O-N 2.93Å; H79-N83 WeakPolarHBondContact O-CB 3.49Å; H79-N83 PolarHBondContact O-N 2.7Å
80	S	31.5	Very low	32.6	Very low	57 Å²	57	63.9 Å²	63.9	40%	0.399	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-41.8	178.2	73.4	0	0	0	0	111.6	A77 L78 V84	A77-S80 PolarHBondContact O-N 2.82Å; A77-S80 PolarHBondContact O-OG 2.86Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.49Å; S80-V84 WeakPolarHBondContact O-CG2 3.14Å; S80-V84 PolarHBondContact O-N 2.98Å
81	C	31.9	Very low	33.5	Very low	12 Å²	12	62.9 Å²	62.9	8%	0.081	39%	0.393	C	S	.	.	H	α-helix	trans	-68.8	-40.1	-180	-37.2	0	0	0	0	110.6	P53 A77 L78 H79 V84 F85	P53-C81 HydrophobicContact CB-CB 3.55Å; P53-C81 WeakPolarHBondContact CB-SG 3.39Å; P53-C81 HydrophobicContact CG-CB 3.62Å; P53-C81 WeakPolarHBondContact CG-SG 3.38Å; A77-C81 PolarHBondContact O-SG 2.95Å; L78-C81 WeakPolarHBondContact O-CB 3.48Å; L78-C81 PolarHBondContact O-N 3.18Å; L78-C81 VanDerWaalsContact O-N 3.13Å; H79-C81 VanDerWaalsContact C-N 3.32Å; H79-C81 PolarHBondContact O-N 2.88Å; C81-V84 WeakPolarHBondContact O-CB 3.4Å; C81-V84 PolarHBondContact O-N 3.11Å; C81-F85 WeakPolarHBondContact O-CD2 3.46Å; C81-F85 PolarHBondContact O-N 3.41Å
82	Y	33.2	Very low	34.5	Very low	73 Å²	73	61.9 Å²	61.9	29%	0.286	39%	0.389	S	S	.	.	H	α-helix	trans	-66.9	-42	178.8	-145.8	-86.3	0	0	0	112.8	L69 L78 H79 V84 F85 T86	L69-Y82 WeakPolarHBondContact CA-OH 3.39Å; L69-Y82 HydrophobicContact CB-CE2 4.01Å; L69-Y82 WeakPolarHBondContact CB-OH 3.4Å; L69-Y82 PolarHBondContact O-OH 3.25Å; L78-Y82 WeakPolarHBondContact O-CB 3.01Å; L78-Y82 PolarHBondContact O-N 3.23Å; H79-Y82 PolarHBondContact O-N 2.93Å; Y82-V84 PolarHBondContact O-N 3.23Å; Y82-F85 PolarHBondContact O-N 3.44Å; Y82-T86 HydrophobicContact CD1-CG2 4.08Å; Y82-T86 HydrophobicContact CE1-CG2 4.2Å; Y82-T86 WeakPolarHBondContact O-CG2 3.18Å; Y82-T86 PolarHBondContact O-N 3.33Å; Y82-T86 VanDerWaalsContact O-N 3.11Å; Y82-T86 PolarHBondContact O-OG1 3.3Å
83	N	31.2	Very low	35.3	Very low	92 Å²	92	64.6 Å²	64.6	49%	0.492	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-31.2	174.2	-83.3	-8.3	0	0	0	111	H79 T86 T87	H79-N83 WeakPolarHBondContact O-CB 3.49Å; H79-N83 PolarHBondContact O-N 2.7Å; N83-T86 WeakPolarHBondContact CA-OG1 2.93Å; N83-T86 PolarHBondContact O-OG1 3.27Å; N83-T87 WeakPolarHBondContact O-CB 3.49Å; N83-T87 WeakPolarHBondContact O-CG2 3.41Å; N83-T87 PolarHBondContact O-N 2.63Å; N83-T87 PolarHBondContact O-OG1 3.43Å
84	V	35.6	Very low	36.4	Very low	2 Å²	2	59 Å²	59	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-66	-49.5	178.2	-167.3	0	0	0	0	112.5	S80 C81 Y82 T87 Q88 W128 L131	S80-V84 WeakPolarHBondContact O-CG2 3.14Å; S80-V84 PolarHBondContact O-N 2.98Å; C81-V84 WeakPolarHBondContact O-CB 3.4Å; C81-V84 PolarHBondContact O-N 3.11Å; Y82-V84 PolarHBondContact O-N 3.23Å; V84-T87 PolarHBondContact O-N 2.82Å; V84-T87 PolarHBondContact O-OG1 3.23Å; V84-Q88 PolarHBondContact O-N 2.77Å; V84-W128 HydrophobicContact CB-CE3 3.59Å; V84-W128 HydrophobicContact CB-CZ3 3.8Å; V84-W128 HydrophobicContact CG1-CE3 3.35Å; V84-W128 HydrophobicContact CG1-CZ3 3.5Å; V84-W128 VanDerWaalsContact CG1-CZ3 3.5Å; V84-W128 HydrophobicContact CG2-CB 3.99Å; V84-W128 HydrophobicContact CG2-CD2 3.92Å; V84-W128 HydrophobicContact CG2-CE3 3.09Å; V84-W128 HydrophobicContact CG2-CG 4.33Å; V84-W128 HydrophobicContact CG2-CZ3 3.74Å; V84-L131 HydrophobicContact CB-CD1 3.88Å; V84-L131 HydrophobicContact CG1-CB 3.76Å; V84-L131 HydrophobicContact CG1-CD1 3.2Å; V84-L131 HydrophobicContact CG1-CG 3.95Å; V84-L131 HydrophobicContact CG2-CD1 4.22Å
85	F	34.5	Very low	37.3	Very low	24 Å²	24	56.9 Å²	56.9	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-50	-178.8	-77.9	-80.3	0	0	0	109.3	C81 Y82 T87 Q88 L89 V94 I109 I110 L125 P126	C81-F85 WeakPolarHBondContact O-CD2 3.46Å; C81-F85 PolarHBondContact O-N 3.41Å; Y82-F85 PolarHBondContact O-N 3.44Å; F85-T87 VanDerWaalsContact C-N 3.32Å; F85-T87 PolarHBondContact O-N 3.41Å; F85-Q88 PolarHBondContact O-N 3.06Å; F85-L89 CarbonylContact C-O 3.38Å; F85-L89 CarbonylContact O-C 3.59Å; F85-L89 VanDerWaalsContact O-C 3.24Å; F85-L89 WeakPolarHBondContact O-CA 3.47Å; F85-L89 PolarHBondContact O-N 2.97Å; F85-V94 HydrophobicContact CB-CG2 4.33Å; F85-V94 HydrophobicContact CD1-CG1 4.21Å; F85-V94 HydrophobicContact CD1-CG2 3.88Å; F85-I109 HydrophobicContact CE1-CG2 4.25Å; F85-I110 HydrophobicContact CE1-CD1 4.15Å; F85-I110 HydrophobicContact CE1-CG1 3.87Å; F85-I110 HydrophobicContact CZ-CD1 4.4Å; F85-I110 HydrophobicContact CZ-CG1 3.98Å; F85-L125 HydrophobicContact CD2-CD1 4.22Å; F85-L125 HydrophobicContact CD2-CD2 4.49Å; F85-L125 HydrophobicContact CE2-CB 3.92Å; F85-L125 HydrophobicContact CE2-CD1 3.83Å; F85-L125 HydrophobicContact CE2-CD2 3.61Å; F85-L125 HydrophobicContact CE2-CG 3.98Å; F85-L125 HydrophobicContact CZ-CB 4.4Å; F85-L125 HydrophobicContact CZ-CD2 3.63Å; F85-L125 HydrophobicContact CZ-CG 4.43Å; F85-P126 HydrophobicContact CZ-CG 4.47Å
86	T	33.1	Very low	38.1	Very low	59 Å²	59	60.2 Å²	60.2	36%	0.362	35%	0.353	S	S	.	.	H	α-helix	trans	-62.3	-33.1	179.8	55	0	0	0	0	114.2	Y82 N83 Q88	Y82-T86 HydrophobicContact CD1-CG2 4.08Å; Y82-T86 HydrophobicContact CE1-CG2 4.2Å; Y82-T86 WeakPolarHBondContact O-CG2 3.18Å; Y82-T86 PolarHBondContact O-N 3.33Å; Y82-T86 VanDerWaalsContact O-N 3.11Å; Y82-T86 PolarHBondContact O-OG1 3.3Å; N83-T86 WeakPolarHBondContact CA-OG1 2.93Å; N83-T86 PolarHBondContact O-OG1 3.27Å; T86-Q88 VanDerWaalsContact C-N 3.33Å; T86-Q88 PolarHBondContact O-N 3.24Å
87	T	35.3	Very low	39.2	Very low	91 Å²	91	58.6 Å²	58.6	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-75.4	-18.1	179.1	51.5	0	0	0	0	114.1	N83 V84 F85	N83-T87 WeakPolarHBondContact O-CB 3.49Å; N83-T87 WeakPolarHBondContact O-CG2 3.41Å; N83-T87 PolarHBondContact O-N 2.63Å; N83-T87 PolarHBondContact O-OG1 3.43Å; V84-T87 PolarHBondContact O-N 2.82Å; V84-T87 PolarHBondContact O-OG1 3.23Å; F85-T87 VanDerWaalsContact C-N 3.32Å; F85-T87 PolarHBondContact O-N 3.41Å
88	Q	39.8	Very low	40.5	Very low	88 Å²	88	56.5 Å²	56.5	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-119.4	-28.6	-177.3	-61.6	-170.4	-3.9	0	0	114.1	V84 F85 T86 N135	V84-Q88 PolarHBondContact O-N 2.77Å; F85-Q88 PolarHBondContact O-N 3.06Å; T86-Q88 VanDerWaalsContact C-N 3.33Å; T86-Q88 PolarHBondContact O-N 3.24Å; Q88-N135 PolarHBondContact NE2-ND2 2.86Å; Q88-N135 PolarHBondContact OE1-ND2 3.35Å
89	L	37.4	Very low	41.6	Very low	52 Å²	52	58 Å²	58	27%	0.272	32%	0.324	S	S	.	.	S	Bend	trans	-142	109.6	178.8	-74.6	165.8	0	0	0	108.2	F85 A91 L93 V94 I109	F85-L89 CarbonylContact C-O 3.38Å; F85-L89 CarbonylContact O-C 3.59Å; F85-L89 VanDerWaalsContact O-C 3.24Å; F85-L89 WeakPolarHBondContact O-CA 3.47Å; F85-L89 PolarHBondContact O-N 2.97Å; L89-A91 PolarHBondContact O-N 3.29Å; L89-L93 HydrophobicContact CD2-CB 4.26Å; L89-L93 HydrophobicContact CD2-CD1 4.14Å; L89-V94 HydrophobicContact CB-CG2 3.63Å; L89-V94 HydrophobicContact CD1-CG2 4.4Å; L89-I109 HydrophobicContact CD1-CD1 3.2Å; L89-I109 HydrophobicContact CG-CD1 4.49Å
90	S	43.3	Very low	42.9	Very low	59 Å²	59	60.6 Å²	60.6	41%	0.413	34%	0.335	S	S	.	.			trans	-43.6	134.4	174.2	66	0	0	0	0	109.9	P92 L93 V94	S90-P92 WeakPolarHBondContact O-CD 3.29Å; S90-L93 WeakPolarHBondContact O-CA 3.42Å; S90-L93 WeakPolarHBondContact O-CB 3.39Å; S90-L93 PolarHBondContact O-N 3.33Å; S90-L93 WeakPolarHBondContact OG-CD1 3.22Å; S90-L93 WeakPolarHBondContact OG-CG 3.43Å; S90-V94 PolarHBondContact O-N 2.96Å
91	A	46.3	Very low	43.8	Very low	32 Å²	32	61.1 Å²	61.1	26%	0.264	33%	0.328	S	S	.	.	H	α-helix	trans	-43.9	-37	-178.5	0	0	0	0	0	114.3	L69 L89 L93 V94 A95	L69-A91 HydrophobicContact CD1-CB 3.98Å; L89-A91 PolarHBondContact O-N 3.29Å; A91-L93 PolarHBondContact O-N 3.45Å; A91-V94 PolarHBondContact O-N 2.67Å; A91-A95 PolarHBondContact O-N 3.23Å
92	P	48.5	Very low	44.9	Very low	82 Å²	82	63.4 Å²	63.4	53%	0.532	34%	0.335	S	S	.	.	H	α-helix	trans	-61.1	-35.5	172.4	-25.7	36.1	0	0	0	115.6	S90 K96	S90-P92 WeakPolarHBondContact O-CD 3.29Å; P92-K96 WeakPolarHBondContact O-CB 3.26Å; P92-K96 VanDerWaalsContact O-CG 3.3Å; P92-K96 WeakPolarHBondContact O-CG 3.32Å; P92-K96 PolarHBondContact O-N 2.75Å
93	L	46.7	Very low	46.2	Very low	91 Å²	91	65.1 Å²	65.1	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-68.4	-40.6	176	-79.1	167.6	0	0	0	111.3	L89 S90 A91 K96 A97	L89-L93 HydrophobicContact CD2-CB 4.26Å; L89-L93 HydrophobicContact CD2-CD1 4.14Å; S90-L93 WeakPolarHBondContact O-CA 3.42Å; S90-L93 WeakPolarHBondContact O-CB 3.39Å; S90-L93 PolarHBondContact O-N 3.33Å; S90-L93 WeakPolarHBondContact OG-CD1 3.22Å; S90-L93 WeakPolarHBondContact OG-CG 3.43Å; A91-L93 PolarHBondContact O-N 3.45Å; L93-K96 PolarHBondContact O-N 3.44Å; L93-A97 WeakPolarHBondContact O-CB 3.14Å; L93-A97 PolarHBondContact O-N 3.13Å
94	V	51.2	Low	47.5	Very low	14 Å²	14	66.5 Å²	66.5	9%	0.085	36%	0.361	C	S	.	.	H	α-helix	trans	-63.8	-46	176.1	-178.9	0	0	0	0	110.1	F85 L89 S90 A91 K96 A97 I98 I110	F85-V94 HydrophobicContact CB-CG2 4.33Å; F85-V94 HydrophobicContact CD1-CG1 4.21Å; F85-V94 HydrophobicContact CD1-CG2 3.88Å; L89-V94 HydrophobicContact CB-CG2 3.63Å; L89-V94 HydrophobicContact CD1-CG2 4.4Å; S90-V94 PolarHBondContact O-N 2.96Å; A91-V94 PolarHBondContact O-N 2.67Å; V94-K96 PolarHBondContact O-N 2.87Å; V94-A97 PolarHBondContact O-N 2.87Å; V94-I98 HydrophobicContact CG1-CD1 3.87Å; V94-I98 HydrophobicContact CG1-CG1 4.43Å; V94-I98 VanDerWaalsContact O-CG1 3.32Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 3.22Å; V94-I110 HydrophobicContact CG1-CD1 4.25Å
95	A	51.9	Low	48.5	Very low	13 Å²	13	67.7 Å²	67.7	11%	0.107	37%	0.374	C	S	.	.	H	α-helix	trans	-54.9	-49.8	173.5	0	0	0	0	0	111.9	A67 A91 A97 I98 V99	A67-A95 HydrophobicContact CB-CB 3.66Å; A91-A95 PolarHBondContact O-N 3.23Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 2.97Å; A95-I98 PolarHBondContact O-N 3.26Å; A95-V99 VanDerWaalsContact O-CG2 3.31Å; A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 2.69Å
96	K	51.7	Low	49.5	Very low	149 Å²	149	70.8 Å²	70.8	65%	0.648	39%	0.386	S	S	*	.	H	α-helix	trans	-60.9	-39.8	176.8	-76.8	178.7	179.1	-173.6	0	112.8	P92 L93 V94 K100	P92-K96 WeakPolarHBondContact O-CB 3.26Å; P92-K96 VanDerWaalsContact O-CG 3.3Å; P92-K96 WeakPolarHBondContact O-CG 3.32Å; P92-K96 PolarHBondContact O-N 2.75Å; L93-K96 PolarHBondContact O-N 3.44Å; V94-K96 PolarHBondContact O-N 2.87Å; K96-K100 VanDerWaalsContact O-CB 3.23Å; K96-K100 WeakPolarHBondContact O-CB 3.48Å; K96-K100 PolarHBondContact O-N 2.88Å
97	A	51.5	Low	50.5	Low	25 Å²	25	68.1 Å²	68.1	21%	0.207	37%	0.369	C	S	.	.	H	α-helix	trans	-66.9	-44.5	177.5	0	0	0	0	0	111.3	L93 V94 A95 V99 K100 Y101	L93-A97 WeakPolarHBondContact O-CB 3.14Å; L93-A97 PolarHBondContact O-N 3.13Å; V94-A97 PolarHBondContact O-N 2.87Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 2.97Å; A97-V99 PolarHBondContact O-N 2.9Å; A97-K100 PolarHBondContact O-N 3.18Å; A97-Y101 HydrophobicContact CB-CD2 4.43Å; A97-Y101 VanDerWaalsContact O-CD2 3.26Å; A97-Y101 WeakPolarHBondContact O-CD2 3.49Å; A97-Y101 PolarHBondContact O-N 2.89Å
98	I	57.1	Low	51.3	Low	25 Å²	25	65.5 Å²	65.5	13%	0.128	35%	0.354	C	S	.	.	H	α-helix	trans	-56.4	-52.9	174.5	-69.4	165	0	0	0	109.4	V57 V94 A95 K100 R102 V107 I110	V57-I98 HydrophobicContact CG1-CG2 4Å; V57-I98 HydrophobicContact CG2-CG2 3.84Å; V94-I98 HydrophobicContact CG1-CD1 3.87Å; V94-I98 HydrophobicContact CG1-CG1 4.43Å; V94-I98 VanDerWaalsContact O-CG1 3.32Å; V94-I98 WeakPolarHBondContact O-CG1 3.49Å; V94-I98 PolarHBondContact O-N 3.22Å; A95-I98 PolarHBondContact O-N 3.26Å; I98-K100 PolarHBondContact O-N 3.49Å; I98-R102 WeakPolarHBondContact O-CB 3.17Å; I98-R102 PolarHBondContact O-N 2.84Å; I98-V107 HydrophobicContact CB-CG1 4.5Å; I98-V107 HydrophobicContact CG1-CG1 3.77Å; I98-V107 HydrophobicContact CG1-CG2 4.37Å; I98-I110 HydrophobicContact CD1-CD1 4.24Å; I98-I110 HydrophobicContact CG1-CD1 4.26Å
99	V	53.6	Low	51.9	Low	101 Å²	101	65.1 Å²	65.1	61%	0.612	35%	0.354	S	S	*	.	H	α-helix	trans	-58.3	-46.3	180	172	0	0	0	0	111.6	A95 A97	A95-V99 VanDerWaalsContact O-CG2 3.31Å; A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 2.69Å; A97-V99 PolarHBondContact O-N 2.9Å
100	K	55.6	Low	52.9	Low	132 Å²	132	63.4 Å²	63.4	57%	0.574	35%	0.345	S	S	*	.	H	α-helix	trans	-64.9	-50	-176.4	-177.7	176	178.8	-174	0	112.6	K96 A97 I98	K96-K100 VanDerWaalsContact O-CB 3.23Å; K96-K100 WeakPolarHBondContact O-CB 3.48Å; K96-K100 PolarHBondContact O-N 2.88Å; A97-K100 PolarHBondContact O-N 3.18Å; I98-K100 PolarHBondContact O-N 3.49Å
101	Y	51	Low	53.6	Low	67 Å²	67	61.5 Å²	61.5	26%	0.263	33%	0.334	S	S	.	.	H	α-helix	trans	-93.7	-7.8	-169.2	-63.6	-83.6	0	0	0	113.3	A97 S103 E104 G105 Y106 P108	A97-Y101 HydrophobicContact CB-CD2 4.43Å; A97-Y101 VanDerWaalsContact O-CD2 3.26Å; A97-Y101 WeakPolarHBondContact O-CD2 3.49Å; A97-Y101 PolarHBondContact O-N 2.89Å; Y101-S103 PolarHBondContact O-N 2.75Å; Y101-E104 WeakPolarHBondContact O-CA 3.06Å; Y101-E104 VanDerWaalsContact O-CB 3.31Å; Y101-E104 WeakPolarHBondContact O-CB 3.37Å; Y101-E104 PolarHBondContact O-N 2.79Å; Y101-G105 PolarHBondContact O-N 2.76Å; Y101-Y106 CarbonylContact C-O 3.55Å; Y101-Y106 WeakPolarHBondContact CB-O 3.13Å; Y101-P108 HydrophobicContact CD1-CG 4.13Å; Y101-P108 HydrophobicContact CD2-CG 3.38Å; Y101-P108 HydrophobicContact CE1-CG 4.19Å; Y101-P108 HydrophobicContact CE2-CG 3.48Å; Y101-P108 VanDerWaalsContact CE2-CG 3.48Å; Y101-P108 VanDerWaalsContact CG-CD 3.4Å; Y101-P108 HydrophobicContact CG-CG 3.75Å
102	R	54.1	Low	54.2	Low	61 Å²	61	66 Å²	66	23%	0.23	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-51.1	-42.1	174.5	-174	-149.4	-176.9	119.7	39.8	113.2	V57 E58 D59 I98 E104 G105	V57-R102 PolarHBondContact O-NH2 2.82Å; E58-R102 PolarHBondContact O-NH1 3.28Å; E58-R102 PolarHBondContact O-NH2 2.99Å; D59-R102 VanDerWaalsContact N-NH2 3.1Å; D59-R102 IonicContact OD1-CZ 3.71Å; D59-R102 IonicContact OD1-NE 3.61Å; D59-R102 IonicContact OD1-NH2 3.41Å; D59-R102 PolarHBondContact OD1-NH2 2.98Å; I98-R102 WeakPolarHBondContact O-CB 3.17Å; I98-R102 PolarHBondContact O-N 2.84Å; R102-E104 PolarHBondContact O-N 2.69Å; R102-E104 VanDerWaalsContact O-N 3.13Å; R102-G105 PolarHBondContact O-N 3.45Å
103	S	60.4	Low	54.6	Low	109 Å²	109	63.8 Å²	63.8	76%	0.762	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.3	-21.5	178.4	63.2	0	0	0	0	113.3	Y101	Y101-S103 PolarHBondContact O-N 2.75Å
104	E	59.2	Low	55.2	Low	121 Å²	121	66.1 Å²	66.1	57%	0.565	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-91.1	-2.3	176.2	-54.1	177	-163.3	0	0	112.4	Y101 R102 Y106	Y101-E104 WeakPolarHBondContact O-CA 3.06Å; Y101-E104 VanDerWaalsContact O-CB 3.31Å; Y101-E104 WeakPolarHBondContact O-CB 3.37Å; Y101-E104 PolarHBondContact O-N 2.79Å; R102-E104 PolarHBondContact O-N 2.69Å; R102-E104 VanDerWaalsContact O-N 3.13Å; E104-Y106 PolarHBondContact O-N 3.01Å
105	G	55.3	Low	55.2	Low	27 Å²	27	71.4 Å²	71.4	28%	0.278	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	13.3	-174.4	0	0	0	0	0	113.8	Y101 R102 H112 P113	Y101-G105 PolarHBondContact O-N 2.76Å; R102-G105 PolarHBondContact O-N 3.45Å; G105-H112 PolarHBondContact O-ND1 3.19Å; G105-P113 VanDerWaalsContact O-CD 3.25Å; G105-P113 WeakPolarHBondContact O-CD 3.08Å
106	Y	56.7	Low	55.5	Low	89 Å²	89	73.4 Å²	73.4	35%	0.349	37%	0.371	S	S	.	.			trans	-131.9	143	-174.9	177.4	-104.4	0	0	0	109.5	Y101 E104 P108 H112	Y101-Y106 CarbonylContact C-O 3.55Å; Y101-Y106 WeakPolarHBondContact CB-O 3.13Å; E104-Y106 PolarHBondContact O-N 3.01Å; Y106-P108 HydrophobicContact CD1-CG 4.49Å; Y106-P108 HydrophobicContact CE1-CB 4.36Å; Y106-P108 HydrophobicContact CE1-CG 4.09Å; Y106-H112 AromaticContact CD2-CD2 3.92Å; Y106-H112 AromaticContact CD2-CE1 3.75Å; Y106-H112 AromaticContact CD2-NE2 3.62Å
107	V	54.8	Low	55.4	Low	2 Å²	2	68.6 Å²	68.6	1%	0.012	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-124.1	123.2	168.8	179.5	0	0	0	0	108.2	I98 I109 I110 G111 Y123	I98-V107 HydrophobicContact CB-CG1 4.5Å; I98-V107 HydrophobicContact CG1-CG1 3.77Å; I98-V107 HydrophobicContact CG1-CG2 4.37Å; V107-I109 PolarHBondContact O-N 3.15Å; V107-I110 HydrophobicContact CB-CB 4.07Å; V107-I110 HydrophobicContact CG1-CB 4.03Å; V107-I110 HydrophobicContact CG1-CD1 3.96Å; V107-I110 HydrophobicContact CG1-CG1 4.18Å; V107-I110 PolarHBondContact O-N 3.36Å; V107-I110 VanDerWaalsContact O-N 3.16Å; V107-G111 PolarHBondContact N-O 3.37Å; V107-G111 PolarHBondContact O-N 2.93Å; V107-Y123 HydrophobicContact CB-CE1 4.41Å; V107-Y123 HydrophobicContact CG2-CD1 4.43Å; V107-Y123 HydrophobicContact CG2-CE1 3.82Å
108	P	51.9	Low	55.5	Low	36 Å²	36	77.9 Å²	77.9	23%	0.234	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	138.6	177.5	-27.1	33.6	0	0	0	111.4	Y101 Y106 I110	Y101-P108 HydrophobicContact CD1-CG 4.13Å; Y101-P108 HydrophobicContact CD2-CG 3.38Å; Y101-P108 HydrophobicContact CE1-CG 4.19Å; Y101-P108 HydrophobicContact CE2-CG 3.48Å; Y101-P108 VanDerWaalsContact CE2-CG 3.48Å; Y101-P108 VanDerWaalsContact CG-CD 3.4Å; Y101-P108 HydrophobicContact CG-CG 3.75Å; Y106-P108 HydrophobicContact CD1-CG 4.49Å; Y106-P108 HydrophobicContact CE1-CB 4.36Å; Y106-P108 HydrophobicContact CE1-CG 4.09Å; P108-I110 PolarHBondContact O-N 2.92Å
109	I	51.6	Low	55.2	Low	81 Å²	81	83.5 Å²	83.5	42%	0.415	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-37.3	-177.1	-57.2	160.2	0	0	0	113.9	F85 L89 V107 P126 L131	F85-I109 HydrophobicContact CE1-CG2 4.25Å; L89-I109 HydrophobicContact CD1-CD1 3.2Å; L89-I109 HydrophobicContact CG-CD1 4.49Å; V107-I109 PolarHBondContact O-N 3.15Å; I109-P126 WeakPolarHBondContact O-CG 3.46Å; I109-L131 HydrophobicContact CG2-CD2 3.82Å
110	I	58.5	Low	55.1	Low	16 Å²	16	80.2 Å²	80.2	8%	0.082	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-31.4	-178.8	-59.7	-177.5	0	0	0	111.4	F85 V94 I98 V107 P108 Y123 L125	F85-I110 HydrophobicContact CE1-CD1 4.15Å; F85-I110 HydrophobicContact CE1-CG1 3.87Å; F85-I110 HydrophobicContact CZ-CD1 4.4Å; F85-I110 HydrophobicContact CZ-CG1 3.98Å; V94-I110 HydrophobicContact CG1-CD1 4.25Å; I98-I110 HydrophobicContact CD1-CD1 4.24Å; I98-I110 HydrophobicContact CG1-CD1 4.26Å; V107-I110 HydrophobicContact CB-CB 4.07Å; V107-I110 HydrophobicContact CG1-CB 4.03Å; V107-I110 HydrophobicContact CG1-CD1 3.96Å; V107-I110 HydrophobicContact CG1-CG1 4.18Å; V107-I110 PolarHBondContact O-N 3.36Å; V107-I110 VanDerWaalsContact O-N 3.16Å; P108-I110 PolarHBondContact O-N 2.92Å; I110-Y123 HydrophobicContact CG2-CD1 3.88Å; I110-Y123 HydrophobicContact CG2-CG 3.93Å; I110-L125 HydrophobicContact CD1-CD2 3.94Å; I110-L125 HydrophobicContact CG1-CD2 4.14Å; I110-L125 HydrophobicContact CG2-CD2 4.2Å
111	G	58.3	Low	55	Low	18 Å²	18	75.6 Å²	75.6	19%	0.186	36%	0.36	C	S	.	.	B	Isolated β-bridge	trans	88.8	-156.3	179.2	0	0	0	0	0	113.8	V107	V107-G111 PolarHBondContact N-O 3.37Å; V107-G111 PolarHBondContact O-N 2.93Å
112	H	57.8	Low	55.3	Low	126 Å²	126	73.7 Å²	73.7	58%	0.583	35%	0.353	S	S	*	.	S	Bend	trans	-82.4	151.9	175.5	-71.7	-70.9	0	0	0	111.1	G105 Y106 Y114	G105-H112 PolarHBondContact O-ND1 3.19Å; Y106-H112 AromaticContact CD2-CD2 3.92Å; Y106-H112 AromaticContact CD2-CE1 3.75Å; Y106-H112 AromaticContact CD2-NE2 3.62Å; H112-Y114 PolarHBondContact O-N 3.46Å
113	P	58	Low	55.5	Low	36 Å²	36	71 Å²	71	23%	0.234	34%	0.342	C	S	.	.			trans	-63.3	136.2	172.9	27.8	-31.3	0	0	0	109.3	G105 Y115 H121 Y122 Y123	G105-P113 VanDerWaalsContact O-CD 3.25Å; G105-P113 WeakPolarHBondContact O-CD 3.08Å; P113-Y115 VanDerWaalsContact C-N 3.34Å; P113-H121 HydrophobicContact CB-CB 3.96Å; P113-H121 HydrophobicContact CG-CB 4.34Å; P113-Y122 CarbonylContact C-O 3.08Å; P113-Y122 WeakPolarHBondContact CA-O 3.45Å; P113-Y122 WeakPolarHBondContact CB-O 3.27Å; P113-Y123 HydrophobicContact CB-CD1 4.1Å; P113-Y123 HydrophobicContact CB-CD2 4.48Å; P113-Y123 HydrophobicContact CB-CE1 3.85Å; P113-Y123 HydrophobicContact CB-CE2 4.23Å; P113-Y123 HydrophobicContact CB-CG 4.41Å; P113-Y123 VanDerWaalsContact CD-CE1 3.46Å; P113-Y123 HydrophobicContact CG-CE1 4.08Å
114	Y	58.7	Low	55.4	Low	140 Å²	140	71.6 Å²	71.6	55%	0.549	33%	0.328	S	S	.	.	S	Bend	trans	-83.7	-19.3	176.2	73.6	-89.9	0	0	0	111.6	A54 H112 Y122 R124	A54-Y114 HydrophobicContact CB-CE1 4.23Å; H112-Y114 PolarHBondContact O-N 3.46Å; Y114-Y122 WeakPolarHBondContact CD1-O 3.48Å; Y114-Y122 WeakPolarHBondContact CE1-O 3.33Å; Y114-Y122 PolarHBondContact N-O 2.71Å; Y114-R124 HydrophobicContact CD1-CB 3.89Å; Y114-R124 HydrophobicContact CE1-CB 4.28Å
115	Y	51.3	Low	55.3	Low	126 Å²	126	66.8 Å²	66.8	49%	0.494	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	147	-179.5	179.8	-112.9	0	0	0	110.5	P113 D117 Y122	P113-Y115 VanDerWaalsContact C-N 3.34Å; Y115-D117 HydrophobicContact CE1-CB 3.84Å; Y115-Y122 AromaticContact CD1-CD2 3.37Å; Y115-Y122 HydrophobicContact CD1-CD2 3.37Å; Y115-Y122 AromaticContact CD1-CE2 3.63Å; Y115-Y122 HydrophobicContact CD1-CE2 3.63Å; Y115-Y122 HydrophobicContact CD1-CG 4.03Å; Y115-Y122 HydrophobicContact CE1-CD2 4.06Å; Y115-Y122 AromaticContact CE1-CE2 3.82Å; Y115-Y122 HydrophobicContact CE1-CE2 3.82Å; Y115-Y122 HydrophobicContact CG-CD2 4.28Å; Y115-Y122 PolarHBondContact O-N 3.34Å
116	S	57.9	Low	55.1	Low	54 Å²	54	66.3 Å²	66.3	38%	0.378	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	132.8	175.2	-177.4	0	0	0	0	109.1	Y120 H121	S116-Y120 VanDerWaalsContact CA-O 3.26Å; S116-Y120 WeakPolarHBondContact CA-O 3.4Å; S116-Y120 PolarHBondContact OG-O 3.44Å; S116-H121 WeakPolarHBondContact CB-ND1 3.35Å; S116-H121 PolarHBondContact OG-CE1 3.35Å; S116-H121 VanDerWaalsContact OG-CE1 3.23Å; S116-H121 PolarHBondContact OG-ND1 2.91Å
117	D	50.6	Low	54.8	Low	49 Å²	49	64.6 Å²	64.6	26%	0.262	30%	0.299	S	S	.	.			trans	-115.1	29.2	-179.2	66.7	8.2	0	0	0	113.1	Y115 R119 Y120 Y122	Y115-D117 HydrophobicContact CE1-CB 3.84Å; D117-R119 PolarHBondContact O-N 2.81Å; D117-R119 PolarHBondContact OD1-N 3.42Å; D117-Y120 PolarHBondContact N-O 2.99Å; D117-Y120 PolarHBondContact OD1-N 3.43Å; D117-Y122 HydrophobicContact CB-CE2 4.35Å; D117-Y122 WeakPolarHBondContact OD2-CE2 3.41Å; D117-Y122 PolarHBondContact OD2-OH 3.4Å
118	Y	52	Low	54.6	Low	220 Å²	220	70.7 Å²	70.7	86%	0.863	32%	0.322	S	S	*	.	S	Bend	trans	68.7	-21.6	-173.3	-53.3	-80.4	0	0	0	115.4
119	R	51.4	Low	54.5	Low	142 Å²	142	72 Å²	72	54%	0.536	34%	0.337	S	S	.	.	S	Bend	trans	-108.5	-29.7	177.5	-171.3	172.3	175.9	174.3	2.2	112.3	E58 D59 D117	E58-R119 CarbonylContact C-O 3.59Å; E58-R119 VanDerWaalsContact CA-O 3.29Å; E58-R119 WeakPolarHBondContact CA-O 3.43Å; E58-R119 HydrophobicContact CG-CG 4.17Å; E58-R119 IonicContact OE1-CZ 3.21Å; E58-R119 IonicContact OE1-NE 2.79Å; E58-R119 PolarHBondContact OE1-NE 3.47Å; E58-R119 IonicContact OE1-NH2 2.75Å; E58-R119 PolarHBondContact OE1-NH2 3.5Å; D59-R119 WeakPolarHBondContact CB-O 3.25Å; D59-R119 PolarHBondContact N-O 3Å; D117-R119 PolarHBondContact O-N 2.81Å; D117-R119 PolarHBondContact OD1-N 3.42Å
120	Y	52.3	Low	54.6	Low	33 Å²	33	74.4 Å²	74.4	13%	0.129	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	143.5	-178.7	-59.5	-86.7	0	0	0	111.2	A56 V57 E58 S116 D117	A56-Y120 HydrophobicContact CB-CD1 4.37Å; V57-Y120 CarbonylContact O-C 3.48Å; V57-Y120 WeakPolarHBondContact O-CA 3.21Å; E58-Y120 VanDerWaalsContact CA-CD1 3.4Å; E58-Y120 HydrophobicContact CB-CD1 3.68Å; E58-Y120 HydrophobicContact CB-CE1 3.43Å; E58-Y120 VanDerWaalsContact CB-CE1 3.43Å; E58-Y120 HydrophobicContact CG-CD1 4.06Å; E58-Y120 HydrophobicContact CG-CE1 3.58Å; S116-Y120 VanDerWaalsContact CA-O 3.26Å; S116-Y120 WeakPolarHBondContact CA-O 3.4Å; S116-Y120 PolarHBondContact OG-O 3.44Å; D117-Y120 PolarHBondContact N-O 2.99Å; D117-Y120 PolarHBondContact OD1-N 3.43Å
121	H	52.9	Low	54.2	Low	34 Å²	34	73.9 Å²	73.9	16%	0.157	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	123.6	164.6	-66.6	-33.1	0	0	0	109.3	A56 V57 D59 P113 S116 Y123	A56-H121 CarbonylContact C-O 3.45Å; A56-H121 WeakPolarHBondContact CA-O 3.48Å; V57-H121 PolarHBondContact N-O 3.32Å; V57-H121 PolarHBondContact O-N 3.23Å; D59-H121 IonicContact OD1-NE2 3.65Å; P113-H121 HydrophobicContact CB-CB 3.96Å; P113-H121 HydrophobicContact CG-CB 4.34Å; S116-H121 WeakPolarHBondContact CB-ND1 3.35Å; S116-H121 PolarHBondContact OG-CE1 3.35Å; S116-H121 VanDerWaalsContact OG-CE1 3.23Å; S116-H121 PolarHBondContact OG-ND1 2.91Å; H121-Y123 HydrophobicContact CB-CD2 4.36Å; H121-Y123 HydrophobicContact CB-CE2 3.49Å; H121-Y123 VanDerWaalsContact CB-CE2 3.49Å; H121-Y123 WeakPolarHBondContact O-CD2 3.16Å; H121-Y123 WeakPolarHBondContact O-CE2 3.38Å
122	Y	57.1	Low	53.8	Low	28 Å²	28	75.1 Å²	75.1	11%	0.11	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	121.3	-177.5	-60.7	-98.8	0	0	0	109.3	A56 P113 Y114 Y115 D117	A56-Y122 HydrophobicContact CB-CD1 3.74Å; A56-Y122 HydrophobicContact CB-CE1 3.71Å; P113-Y122 CarbonylContact C-O 3.08Å; P113-Y122 WeakPolarHBondContact CA-O 3.45Å; P113-Y122 WeakPolarHBondContact CB-O 3.27Å; Y114-Y122 WeakPolarHBondContact CD1-O 3.48Å; Y114-Y122 WeakPolarHBondContact CE1-O 3.33Å; Y114-Y122 PolarHBondContact N-O 2.71Å; Y115-Y122 AromaticContact CD1-CD2 3.37Å; Y115-Y122 HydrophobicContact CD1-CD2 3.37Å; Y115-Y122 AromaticContact CD1-CE2 3.63Å; Y115-Y122 HydrophobicContact CD1-CE2 3.63Å; Y115-Y122 HydrophobicContact CD1-CG 4.03Å; Y115-Y122 HydrophobicContact CE1-CD2 4.06Å; Y115-Y122 AromaticContact CE1-CE2 3.82Å; Y115-Y122 HydrophobicContact CE1-CE2 3.82Å; Y115-Y122 HydrophobicContact CG-CD2 4.28Å; Y115-Y122 PolarHBondContact O-N 3.34Å; D117-Y122 HydrophobicContact CB-CE2 4.35Å; D117-Y122 WeakPolarHBondContact OD2-CE2 3.41Å; D117-Y122 PolarHBondContact OD2-OH 3.4Å
123	Y	59.5	Low	53.7	Low	3 Å²	3	74.2 Å²	74.2	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132	-178.3	-62.5	-96	0	0	0	109.8	A54 V55 V57 V107 I110 P113 H121	A54-Y123 CarbonylContact C-O 3.24Å; A54-Y123 WeakPolarHBondContact CA-O 3.45Å; A54-Y123 WeakPolarHBondContact CB-O 3.02Å; V55-Y123 PolarHBondContact N-O 2.79Å; V55-Y123 PolarHBondContact O-N 2.82Å; V57-Y123 HydrophobicContact CB-CE2 4.15Å; V57-Y123 HydrophobicContact CG2-CD2 3.96Å; V57-Y123 HydrophobicContact CG2-CE2 3.79Å; V107-Y123 HydrophobicContact CB-CE1 4.41Å; V107-Y123 HydrophobicContact CG2-CD1 4.43Å; V107-Y123 HydrophobicContact CG2-CE1 3.82Å; I110-Y123 HydrophobicContact CG2-CD1 3.88Å; I110-Y123 HydrophobicContact CG2-CG 3.93Å; P113-Y123 HydrophobicContact CB-CD1 4.1Å; P113-Y123 HydrophobicContact CB-CD2 4.48Å; P113-Y123 HydrophobicContact CB-CE1 3.85Å; P113-Y123 HydrophobicContact CB-CE2 4.23Å; P113-Y123 HydrophobicContact CB-CG 4.41Å; P113-Y123 VanDerWaalsContact CD-CE1 3.46Å; P113-Y123 HydrophobicContact CG-CE1 4.08Å; H121-Y123 HydrophobicContact CB-CD2 4.36Å; H121-Y123 HydrophobicContact CB-CE2 3.49Å; H121-Y123 VanDerWaalsContact CB-CE2 3.49Å; H121-Y123 WeakPolarHBondContact O-CD2 3.16Å; H121-Y123 WeakPolarHBondContact O-CE2 3.38Å
124	R	56.6	Low	53.5	Low	123 Å²	123	76.1 Å²	76.1	46%	0.464	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.7	174.6	-179.1	175.1	-97.9	-167.5	-5.5	107.8	P51 L52 Y114	P51-R124 PolarHBondContact O-NH2 3.31Å; L52-R124 HydrophobicContact CB-CG 4.21Å; Y114-R124 HydrophobicContact CD1-CB 3.89Å; Y114-R124 HydrophobicContact CE1-CB 4.28Å
125	L	57.1	Low	53.2	Low	19 Å²	19	72.5 Å²	72.5	10%	0.099	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-73.4	131.5	173.5	-61.5	-178	0	0	0	108.8	P53 V55 F85 I110	P53-L125 HydrophobicContact CB-CB 3.98Å; P53-L125 HydrophobicContact CB-CD1 3.98Å; P53-L125 HydrophobicContact CB-CG 4.32Å; P53-L125 HydrophobicContact CG-CB 3.76Å; P53-L125 WeakPolarHBondContact O-CB 3.33Å; P53-L125 PolarHBondContact O-N 2.96Å; V55-L125 HydrophobicContact CG2-CD1 3.78Å; V55-L125 HydrophobicContact CG2-CD2 3.84Å; V55-L125 HydrophobicContact CG2-CG 3.99Å; F85-L125 HydrophobicContact CD2-CD1 4.22Å; F85-L125 HydrophobicContact CD2-CD2 4.49Å; F85-L125 HydrophobicContact CE2-CB 3.92Å; F85-L125 HydrophobicContact CE2-CD1 3.83Å; F85-L125 HydrophobicContact CE2-CD2 3.61Å; F85-L125 HydrophobicContact CE2-CG 3.98Å; F85-L125 HydrophobicContact CZ-CB 4.4Å; F85-L125 HydrophobicContact CZ-CD2 3.63Å; F85-L125 HydrophobicContact CZ-CG 4.43Å; I110-L125 HydrophobicContact CD1-CD2 3.94Å; I110-L125 HydrophobicContact CG1-CD2 4.14Å; I110-L125 HydrophobicContact CG2-CD2 4.2Å
126	P	51.7	Low	53.7	Low	18 Å²	18	72.2 Å²	72.2	12%	0.117	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-58.7	147.4	175.2	12.1	-20.7	0	0	0	111.4	F85 I109 Y130 L131	F85-P126 HydrophobicContact CZ-CG 4.47Å; I109-P126 WeakPolarHBondContact O-CG 3.46Å; P126-Y130 HydrophobicContact CB-CD1 3.44Å; P126-Y130 VanDerWaalsContact CB-CD1 3.44Å; P126-Y130 HydrophobicContact CB-CE1 4.05Å; P126-Y130 HydrophobicContact CB-CG 4.32Å; P126-Y130 HydrophobicContact CG-CD1 4.44Å; P126-L131 HydrophobicContact CB-CD1 4.05Å; P126-L131 HydrophobicContact CB-CD2 4.27Å; P126-L131 HydrophobicContact CB-CG 3.96Å; P126-L131 HydrophobicContact CG-CD1 3.92Å; P126-L131 HydrophobicContact CG-CD2 3.88Å; P126-L131 HydrophobicContact CG-CG 4.01Å; P126-L131 WeakPolarHBondContact O-CD1 3.43Å
127	S	51.4	Low	53.8	Low	53 Å²	53	72.1 Å²	72.1	37%	0.371	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-66.8	154.8	176.8	69.8	0	0	0	0	110.9	A129 Y130 L131	S127-A129 PolarHBondContact O-N 3.49Å; S127-Y130 WeakPolarHBondContact O-CB 3.48Å; S127-Y130 PolarHBondContact O-N 2.9Å; S127-Y130 VanDerWaalsContact O-N 3.09Å; S127-Y130 PolarHBondContact OG-N 3.22Å; S127-L131 PolarHBondContact O-N 2.75Å
128	W	49.6	Very low	54	Low	129 Å²	129	72 Å²	72	49%	0.489	35%	0.346	S	S	.	.	H	α-helix	trans	-56.1	-38.4	174.6	175	-112.7	0	0	0	112.5	V84 Y130 L131 T132	V84-W128 HydrophobicContact CB-CE3 3.59Å; V84-W128 HydrophobicContact CB-CZ3 3.8Å; V84-W128 HydrophobicContact CG1-CE3 3.35Å; V84-W128 HydrophobicContact CG1-CZ3 3.5Å; V84-W128 VanDerWaalsContact CG1-CZ3 3.5Å; V84-W128 HydrophobicContact CG2-CB 3.99Å; V84-W128 HydrophobicContact CG2-CD2 3.92Å; V84-W128 HydrophobicContact CG2-CE3 3.09Å; V84-W128 HydrophobicContact CG2-CG 4.33Å; V84-W128 HydrophobicContact CG2-CZ3 3.74Å; W128-Y130 PolarHBondContact O-N 3.44Å; W128-L131 PolarHBondContact O-N 3.39Å; W128-T132 WeakPolarHBondContact O-CB 3.04Å; W128-T132 PolarHBondContact O-N 3.03Å; W128-T132 PolarHBondContact O-OG1 3.46Å
129	A	50.2	Low	54.4	Low	65 Å²	65	64.2 Å²	64.2	54%	0.537	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-46.9	176.1	0	0	0	0	0	111.2	S127 L131 T132 E133	S127-A129 PolarHBondContact O-N 3.49Å; A129-L131 PolarHBondContact O-N 3.04Å; A129-T132 PolarHBondContact O-N 3.4Å; A129-E133 WeakPolarHBondContact O-CG 3.38Å; A129-E133 PolarHBondContact O-N 3.37Å
130	Y	53.3	Low	55	Low	130 Å²	130	60 Å²	60	51%	0.51	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-43	177.1	-179.5	-99.3	0	0	0	112.2	P126 S127 W128 E133 L134	P126-Y130 HydrophobicContact CB-CD1 3.44Å; P126-Y130 VanDerWaalsContact CB-CD1 3.44Å; P126-Y130 HydrophobicContact CB-CE1 4.05Å; P126-Y130 HydrophobicContact CB-CG 4.32Å; P126-Y130 HydrophobicContact CG-CD1 4.44Å; S127-Y130 WeakPolarHBondContact O-CB 3.48Å; S127-Y130 PolarHBondContact O-N 2.9Å; S127-Y130 VanDerWaalsContact O-N 3.09Å; S127-Y130 PolarHBondContact OG-N 3.22Å; W128-Y130 PolarHBondContact O-N 3.44Å; Y130-E133 PolarHBondContact O-N 2.79Å; Y130-L134 HydrophobicContact CD1-CD1 3.78Å; Y130-L134 HydrophobicContact CD1-CG 4.34Å; Y130-L134 HydrophobicContact CE1-CD1 3.26Å; Y130-L134 HydrophobicContact CE1-CG 3.97Å; Y130-L134 PolarHBondContact O-N 3.36Å
131	L	51.3	Low	55.2	Low	6 Å²	6	66.7 Å²	66.7	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-39.9	178.1	-71.2	158.8	0	0	0	111.5	V84 I109 P126 S127 W128 A129 E133 L134 N135	V84-L131 HydrophobicContact CB-CD1 3.88Å; V84-L131 HydrophobicContact CG1-CB 3.76Å; V84-L131 HydrophobicContact CG1-CD1 3.2Å; V84-L131 HydrophobicContact CG1-CG 3.95Å; V84-L131 HydrophobicContact CG2-CD1 4.22Å; I109-L131 HydrophobicContact CG2-CD2 3.82Å; P126-L131 HydrophobicContact CB-CD1 4.05Å; P126-L131 HydrophobicContact CB-CD2 4.27Å; P126-L131 HydrophobicContact CB-CG 3.96Å; P126-L131 HydrophobicContact CG-CD1 3.92Å; P126-L131 HydrophobicContact CG-CD2 3.88Å; P126-L131 HydrophobicContact CG-CG 4.01Å; P126-L131 WeakPolarHBondContact O-CD1 3.43Å; S127-L131 PolarHBondContact O-N 2.75Å; W128-L131 PolarHBondContact O-N 3.39Å; A129-L131 PolarHBondContact O-N 3.04Å; L131-E133 PolarHBondContact O-N 2.74Å; L131-L134 PolarHBondContact O-N 3.45Å; L131-N135 PolarHBondContact O-N 3.46Å; L131-N135 PolarHBondContact O-ND2 2.83Å
132	T	49.9	Very low	55.2	Low	43 Å²	43	74.1 Å²	74.1	26%	0.264	39%	0.385	S	S	.	.	H	α-helix	trans	-60.8	-45.3	174.8	-58.5	0	0	0	0	111.1	W128 A129 N135 K136	W128-T132 WeakPolarHBondContact O-CB 3.04Å; W128-T132 PolarHBondContact O-N 3.03Å; W128-T132 PolarHBondContact O-OG1 3.46Å; A129-T132 PolarHBondContact O-N 3.4Å; T132-N135 PolarHBondContact O-N 2.77Å; T132-K136 WeakPolarHBondContact O-CG 3.46Å; T132-K136 PolarHBondContact O-N 3.36Å
133	E	55.1	Low	55.3	Low	107 Å²	107	77.7 Å²	77.7	50%	0.5	41%	0.414	S	S	.	.	H	α-helix	trans	-64.5	-41.6	176.7	-70.2	-55.1	126.9	0	0	112.5	A129 Y130 L131 N135 K136 A137	A129-E133 WeakPolarHBondContact O-CG 3.38Å; A129-E133 PolarHBondContact O-N 3.37Å; Y130-E133 PolarHBondContact O-N 2.79Å; L131-E133 PolarHBondContact O-N 2.74Å; E133-N135 VanDerWaalsContact C-N 3.3Å; E133-N135 PolarHBondContact O-N 3.44Å; E133-K136 PolarHBondContact O-N 2.86Å; E133-K136 IonicContact OE1-NZ 2.73Å; E133-K136 PolarHBondContact OE1-NZ 2.85Å; E133-A137 WeakPolarHBondContact O-CB 3.4Å; E133-A137 PolarHBondContact O-N 3.26Å
134	L	52.7	Low	55	Low	77 Å²	77	84.1 Å²	84.1	40%	0.403	47%	0.468	S	S	.	.	H	α-helix	trans	-59	-41	173.1	-82.9	177.3	0	0	0	112.4	Y130 L131 A137 A138	Y130-L134 HydrophobicContact CD1-CD1 3.78Å; Y130-L134 HydrophobicContact CD1-CG 4.34Å; Y130-L134 HydrophobicContact CE1-CD1 3.26Å; Y130-L134 HydrophobicContact CE1-CG 3.97Å; Y130-L134 PolarHBondContact O-N 3.36Å; L131-L134 PolarHBondContact O-N 3.45Å; L134-A137 PolarHBondContact O-N 2.94Å; L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 3.45Å
135	N	52.6	Low	54.9	Low	64 Å²	64	82.2 Å²	82.2	34%	0.342	47%	0.468	S	S	.	.	H	α-helix	trans	-69.5	-39.7	177.9	-77.7	-69.8	0	0	0	112.6	Q88 L131 T132 E133 A137 A138 A139	Q88-N135 PolarHBondContact NE2-ND2 2.86Å; Q88-N135 PolarHBondContact OE1-ND2 3.35Å; L131-N135 PolarHBondContact O-N 3.46Å; L131-N135 PolarHBondContact O-ND2 2.83Å; T132-N135 PolarHBondContact O-N 2.77Å; E133-N135 VanDerWaalsContact C-N 3.3Å; E133-N135 PolarHBondContact O-N 3.44Å; N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 2.95Å; N135-A138 PolarHBondContact O-N 3.03Å; N135-A139 VanDerWaalsContact O-CB 3.29Å; N135-A139 WeakPolarHBondContact O-CB 3.43Å; N135-A139 PolarHBondContact O-N 2.97Å
136	K	62.5	Low	54.8	Low	119 Å²	119	85.5 Å²	85.5	52%	0.517	49%	0.487	S	S	.	.	H	α-helix	trans	-58	-46	171.7	-72	174.5	-176.5	169.9	0	110.6	T132 E133 A139 A140	T132-K136 WeakPolarHBondContact O-CG 3.46Å; T132-K136 PolarHBondContact O-N 3.36Å; E133-K136 PolarHBondContact O-N 2.86Å; E133-K136 IonicContact OE1-NZ 2.73Å; E133-K136 PolarHBondContact OE1-NZ 2.85Å; K136-A139 PolarHBondContact O-N 3.18Å; K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 3.37Å
137	A	60.6	Low	55	Low	52 Å²	52	89.3 Å²	89.3	43%	0.43	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-41	177.5	0	0	0	0	0	112.6	E133 L134 N135 A140 K141	E133-A137 WeakPolarHBondContact O-CB 3.4Å; E133-A137 PolarHBondContact O-N 3.26Å; L134-A137 PolarHBondContact O-N 2.94Å; N135-A137 VanDerWaalsContact C-N 3.3Å; N135-A137 PolarHBondContact O-N 2.95Å; A137-A140 PolarHBondContact O-N 3.38Å; A137-K141 WeakPolarHBondContact O-CG 3.41Å; A137-K141 PolarHBondContact O-N 3.06Å; A137-K141 VanDerWaalsContact O-N 3.12Å
138	A	54.3	Low	55.2	Low	47 Å²	47	91.4 Å²	91.4	39%	0.388	52%	0.516	S	S	.	.	H	α-helix	trans	-68	-39.3	177.1	0	0	0	0	0	112.4	L134 N135 K141 K142	L134-A138 WeakPolarHBondContact O-CB 3.45Å; L134-A138 PolarHBondContact O-N 3.45Å; N135-A138 PolarHBondContact O-N 3.03Å; A138-K141 PolarHBondContact O-N 3.49Å; A138-K142 PolarHBondContact O-N 3.25Å
139	A	59.8	Low	55.5	Low	57 Å²	57	89.1 Å²	89.1	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-43.5	174.1	0	0	0	0	0	111.2	N135 K136 K141 K142 S143	N135-A139 VanDerWaalsContact O-CB 3.29Å; N135-A139 WeakPolarHBondContact O-CB 3.43Å; N135-A139 PolarHBondContact O-N 2.97Å; K136-A139 PolarHBondContact O-N 3.18Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.01Å; A139-K142 PolarHBondContact O-N 3.29Å; A139-S143 PolarHBondContact O-N 3.48Å; A139-S143 PolarHBondContact O-OG 3.43Å
140	A	64.6	Low	55.9	Low	54 Å²	54	90.7 Å²	90.7	45%	0.446	52%	0.516	S	S	.	.	H	α-helix	trans	-59.8	-37.7	176.6	0	0	0	0	0	112.7	K136 A137 K142 S143 A144	K136-A140 WeakPolarHBondContact O-CB 3.43Å; K136-A140 PolarHBondContact O-N 3.37Å; A137-A140 PolarHBondContact O-N 3.38Å; A140-K142 VanDerWaalsContact C-N 3.3Å; A140-K142 PolarHBondContact O-N 3.39Å; A140-S143 WeakPolarHBondContact CA-OG 3.19Å; A140-S143 PolarHBondContact O-N 3.33Å; A140-S143 PolarHBondContact O-OG 2.7Å; A140-A144 PolarHBondContact O-N 3.35Å
141	K	57.5	Low	56.1	Low	172 Å²	172	87.9 Å²	87.9	75%	0.748	52%	0.517	S	S	*	.	H	α-helix	trans	-69.1	-23.3	174.8	-75.6	-176.9	179.6	-176.4	0	114.2	A137 A138 A139	A137-K141 WeakPolarHBondContact O-CG 3.41Å; A137-K141 PolarHBondContact O-N 3.06Å; A137-K141 VanDerWaalsContact O-N 3.12Å; A138-K141 PolarHBondContact O-N 3.49Å; A139-K141 VanDerWaalsContact C-N 3.29Å; A139-K141 PolarHBondContact O-N 3.01Å
142	K	52.6	Low	56.4	Low	191 Å²	191	94.2 Å²	94.2	83%	0.83	55%	0.554	S	S	*	*	H	α-helix	trans	-83.8	-20	175.7	-72	-178.6	179	-178.1	0	112.6	A138 A139 A140	A138-K142 PolarHBondContact O-N 3.25Å; A139-K142 PolarHBondContact O-N 3.29Å; A140-K142 VanDerWaalsContact C-N 3.3Å; A140-K142 PolarHBondContact O-N 3.39Å
143	S	58.6	Low	57	Low	102 Å²	102	98.4 Å²	98.4	71%	0.713	58%	0.578	S	S	*	*			trans	-94.5	-5.2	177.4	51.4	0	0	0	0	114.4	A139 A140	A139-S143 PolarHBondContact O-N 3.48Å; A139-S143 PolarHBondContact O-OG 3.43Å; A140-S143 WeakPolarHBondContact CA-OG 3.19Å; A140-S143 PolarHBondContact O-N 3.33Å; A140-S143 PolarHBondContact O-OG 2.7Å
144	A	52.7	Low	57.1	Low	139 Å²	139	97.6 Å²	97.6	100%	1.149	59%	0.585	S	S	*	*			trans	-99.8	0	175.3	0	0	0	0	0	110	A140	A140-A144 PolarHBondContact O-N 3.35Å

Retrieved 144 of 144 residues in 418.7 ms (Link to these results)

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