A0A077ZM55_TRITR Loading...

R2 protein

AlphaFold DB , UniProt , Accession A0A077ZM55, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.8	Very low	37.6	Very low	249 Å²	249	150.7 Å²	150.7	100%	1.227	82%	0.824	S	S	*	*				0	127.7	0	-73.2	170.1	174.8	0	0	108.1
2	N	36.3	Very low	37.3	Very low	164 Å²	164	148.5 Å²	148.5	88%	0.877	81%	0.811	S	S	*	*			trans	-6.4	128.9	-175.7	-66.4	-8.3	0	0	0	121.7
3	S	37.8	Very low	37.7	Very low	116 Å²	116	145.2 Å²	145.2	81%	0.811	80%	0.801	S	S	*	*			trans	-54.5	128.2	154.8	-50.1	0	0	0	0	113
4	T	42.2	Very low	37.6	Very low	136 Å²	136	147.4 Å²	147.4	83%	0.834	80%	0.802	S	S	*	*			trans	-141.7	78.1	145.9	41.3	0	0	0	0	108.4	N6	T4-N6 PolarHBondContact O-N 3.26Å
5	A	41.2	Very low	37.7	Very low	89 Å²	89	153.3 Å²	153.3	74%	0.736	81%	0.808	S	S	*	*			trans	-68.3	99.8	165.1	0	0	0	0	0	107.9	R7	A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.24Å
6	N	38	Very low	38	Very low	153 Å²	153	151.6 Å²	151.6	82%	0.818	81%	0.806	S	S	*	*			trans	-64.4	90.9	173	-170.3	5.4	0	0	0	108.9	T4 N8	T4-N6 PolarHBondContact O-N 3.26Å; N6-N8 PolarHBondContact O-N 3.46Å
7	R	34.8	Very low	38.1	Very low	228 Å²	228	148.5 Å²	148.5	86%	0.86	81%	0.807	S	S	*	*			trans	-73.1	93.7	170.9	-70.7	-175.6	-179	-173.5	0.5	107.9	A5 P9	A5-R7 VanDerWaalsContact C-N 3.32Å; A5-R7 PolarHBondContact O-N 3.24Å; R7-P9 WeakPolarHBondContact O-CD 3.35Å
8	N	35	Very low	37.9	Very low	133 Å²	133	144.3 Å²	144.3	71%	0.711	80%	0.804	S	S	*	*			trans	-68.8	119.9	166.6	-163.8	11	0	0	0	108	N6 T10	N6-N8 PolarHBondContact O-N 3.46Å; N8-T10 PolarHBondContact O-N 3.04Å
9	P	37.8	Very low	37.9	Very low	113 Å²	113	140.1 Å²	140.1	73%	0.734	80%	0.796	S	S	*	*			trans	-66.3	107.8	177	-16.7	30.4	0	0	0	109.5	R7 H11	R7-P9 WeakPolarHBondContact O-CD 3.35Å; P9-H11 PolarHBondContact O-N 3.15Å
10	T	35.8	Very low	38.4	Very low	116 Å²	116	142.3 Å²	142.3	71%	0.712	81%	0.806	S	S	*	*			trans	-65	98.1	164.9	46.7	0	0	0	0	107.4	N8 D12	N8-T10 PolarHBondContact O-N 3.04Å; T10-D12 VanDerWaalsContact C-N 3.27Å; T10-D12 PolarHBondContact O-N 3.49Å
11	H	35	Very low	38.7	Very low	161 Å²	161	138.5 Å²	138.5	75%	0.745	80%	0.798	S	S	*	*			trans	-74.5	88	167.9	-178.8	-71.5	0	0	0	107.6	P9 P13	P9-H11 PolarHBondContact O-N 3.15Å; H11-P13 VanDerWaalsContact O-CD 3.29Å; H11-P13 WeakPolarHBondContact O-CD 3.25Å
12	D	33.5	Very low	39.5	Very low	124 Å²	124	129.7 Å²	129.7	66%	0.663	77%	0.765	S	S	*	*			trans	-64.3	117.9	167.2	-79.9	-55.6	0	0	0	109.3	T10 E14	T10-D12 VanDerWaalsContact C-N 3.27Å; T10-D12 PolarHBondContact O-N 3.49Å; D12-E14 PolarHBondContact O-N 3.39Å; D12-E14 VanDerWaalsContact O-N 3.08Å
13	P	42.9	Very low	41.5	Very low	105 Å²	105	128.5 Å²	128.5	68%	0.682	76%	0.758	S	S	*	*			trans	-84.7	70.3	172.9	34.6	-29.6	0	0	0	108.8	H11 R15	H11-P13 VanDerWaalsContact O-CD 3.29Å; H11-P13 WeakPolarHBondContact O-CD 3.25Å; P13-R15 PolarHBondContact O-N 3.42Å
14	E	36.6	Very low	43.8	Very low	176 Å²	176	126.2 Å²	126.2	82%	0.822	73%	0.734	S	S	*	*			trans	-72.3	112.4	164	-78.5	-160.7	134.9	0	0	109.2	D12 T16	D12-E14 PolarHBondContact O-N 3.39Å; D12-E14 VanDerWaalsContact O-N 3.08Å; E14-T16 PolarHBondContact O-N 3.05Å; E14-T16 VanDerWaalsContact O-N 3.08Å
15	R	39.5	Very low	46.2	Very low	237 Å²	237	120.7 Å²	120.7	89%	0.894	70%	0.7	S	S	*	*			trans	-79.9	80	-173.9	-163.5	-177.2	79.2	-172.6	8.6	108.4	P13 A17	P13-R15 PolarHBondContact O-N 3.42Å; R15-A17 PolarHBondContact O-N 2.95Å
16	T	41.5	Very low	48.6	Very low	125 Å²	125	119.4 Å²	119.4	77%	0.767	69%	0.689	S	S	*	*			trans	-71	102.7	168.6	-31.6	0	0	0	0	108.1	E14 G18	E14-T16 PolarHBondContact O-N 3.05Å; E14-T16 VanDerWaalsContact O-N 3.08Å; T16-G18 PolarHBondContact O-N 2.93Å
17	A	40.5	Very low	51.3	Low	99 Å²	99	112.4 Å²	112.4	82%	0.818	65%	0.652	S	S	*	*			trans	-70.5	110.8	159.2	0	0	0	0	0	106.9	R15	R15-A17 PolarHBondContact O-N 2.95Å
18	G	34.3	Very low	54.2	Low	74 Å²	74	105.6 Å²	105.6	76%	0.763	64%	0.637	S	S	*	*			trans	146.4	95.3	178.9	0	0	0	0	0	111.4	T16	T16-G18 PolarHBondContact O-N 2.93Å
19	G	38.5	Very low	57.1	Low	63 Å²	63	101.5 Å²	101.5	65%	0.649	61%	0.611	S	S	*	*			trans	174.7	62.6	179.5	0	0	0	0	0	110.7	G21	G19-G21 PolarHBondContact O-N 3.15Å
20	D	47.4	Very low	59.7	Low	185 Å²	185	99.2 Å²	99.2	99%	0.989	60%	0.597	S	S	*	*			trans	-63.8	82.1	163.2	-67	-48.5	0	0	0	108.2
21	G	44.8	Very low	62.3	Low	62 Å²	62	95.2 Å²	95.2	64%	0.639	58%	0.578	S	S	*	*			trans	-177.9	34.8	-174.3	0	0	0	0	0	111.2	G19 N23	G19-G21 PolarHBondContact O-N 3.15Å; G21-N23 VanDerWaalsContact C-N 3.31Å; G21-N23 PolarHBondContact O-N 3.49Å
22	A	56.9	Low	65	Low	64 Å²	64	92.3 Å²	92.3	53%	0.529	57%	0.574	S	S	.	*			trans	-70.6	84.2	-179	0	0	0	0	0	110.8	F24	A22-F24 HydrophobicContact CB-CD1 3.8Å; A22-F24 HydrophobicContact CB-CE1 3.36Å; A22-F24 HydrophobicContact CB-CE2 4.4Å; A22-F24 HydrophobicContact CB-CG 4.48Å; A22-F24 HydrophobicContact CB-CZ 3.71Å; A22-F24 PolarHBondContact O-N 3Å; A22-F24 VanDerWaalsContact O-N 3.11Å
23	N	77.2	Confident	67.8	Low	140 Å²	140	86.6 Å²	86.6	75%	0.749	54%	0.543	S	S	*	.			trans	-75.2	17.9	171.4	-99.9	-22.2	0	0	0	113.5	G21	G21-N23 VanDerWaalsContact C-N 3.31Å; G21-N23 PolarHBondContact O-N 3.49Å
24	F	86.6	Confident	70.2	Confident	68 Å²	68	90 Å²	90	30%	0.298	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	153.5	-178.2	63.2	-103.4	0	0	0	112.5	A22 A26 E58 H60	A22-F24 HydrophobicContact CB-CD1 3.8Å; A22-F24 HydrophobicContact CB-CE1 3.36Å; A22-F24 HydrophobicContact CB-CE2 4.4Å; A22-F24 HydrophobicContact CB-CG 4.48Å; A22-F24 HydrophobicContact CB-CZ 3.71Å; A22-F24 PolarHBondContact O-N 3Å; A22-F24 VanDerWaalsContact O-N 3.11Å; F24-A26 HydrophobicContact CE2-CB 4.32Å; F24-E58 CarbonylContact C-O 3.55Å; F24-E58 VanDerWaalsContact CA-O 3.24Å; F24-E58 WeakPolarHBondContact CA-O 3.49Å; F24-E58 HydrophobicContact CB-CB 4.06Å; F24-E58 WeakPolarHBondContact CB-O 3.27Å; F24-H60 WeakPolarHBondContact CB-ND1 3.46Å; F24-H60 AromaticContact CD1-CE1 3.54Å; F24-H60 AromaticContact CD1-ND1 3.31Å; F24-H60 VanDerWaalsContact CD1-ND1 3.31Å; F24-H60 WeakPolarHBondContact CD1-ND1 3.39Å; F24-H60 HydrophobicContact CD2-CB 3.58Å; F24-H60 AromaticContact CD2-CG 3.66Å; F24-H60 AromaticContact CD2-ND1 3.37Å; F24-H60 WeakPolarHBondContact CD2-ND1 3.34Å; F24-H60 AromaticContact CE1-CE1 3.98Å; F24-H60 AromaticContact CE1-ND1 3.82Å; F24-H60 HydrophobicContact CE2-CB 3.61Å; F24-H60 AromaticContact CE2-CG 3.79Å; F24-H60 AromaticContact CE2-ND1 3.89Å; F24-H60 HydrophobicContact CG-CB 4.24Å; F24-H60 AromaticContact CG-CE1 3.75Å; F24-H60 AromaticContact CG-CG 3.83Å; F24-H60 AromaticContact CG-ND1 3.05Å; F24-H60 WeakPolarHBondContact CG-ND1 3.27Å; F24-H60 HydrophobicContact CZ-CB 4.27Å
25	V	91.9	Very high	72.9	Confident	20 Å²	20	81.7 Å²	81.7	12%	0.121	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	122.9	170.6	170.4	0	0	0	0	109.5	P36 F48 M52 K57 E58 V59 H60	V25-P36 HydrophobicContact CG1-CG 3.71Å; V25-P36 HydrophobicContact CG2-CG 3.98Å; V25-F48 HydrophobicContact CG1-CZ 4.34Å; V25-M52 HydrophobicContact CB-CE 4.01Å; V25-M52 HydrophobicContact CG1-CE 4.21Å; V25-M52 HydrophobicContact CG2-CE 3.6Å; V25-K57 HydrophobicContact CG2-CB 4.08Å; V25-K57 HydrophobicContact CG2-CG 4.3Å; V25-E58 PolarHBondContact N-O 3.49Å; V25-V59 HydrophobicContact CB-CG2 4.44Å; V25-V59 CarbonylContact O-C 3.57Å; V25-V59 VanDerWaalsContact O-CA 3.25Å; V25-V59 WeakPolarHBondContact O-CA 3.46Å; V25-H60 PolarHBondContact O-N 2.95Å
26	A	92.7	Very high	75.3	Confident	61 Å²	61	74.7 Å²	74.7	50%	0.504	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.5	178.6	0	0	0	0	0	109.6	F24 H60 L62	F24-A26 HydrophobicContact CE2-CB 4.32Å; A26-H60 CarbonylContact C-O 3.52Å; A26-H60 WeakPolarHBondContact CA-O 3.37Å; A26-L62 HydrophobicContact CB-CD1 3.43Å; A26-L62 VanDerWaalsContact CB-CD1 3.43Å; A26-L62 HydrophobicContact CB-CG 4.48Å
27	A	93.8	Very high	77.7	Confident	6 Å²	6	73.2 Å²	73.2	5%	0.05	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.8	-177.6	0	0	0	0	0	112.1	Y29 F33 F48 V59 H60 F61 L62	A27-Y29 PolarHBondContact O-N 3.31Å; A27-F33 HydrophobicContact CB-CD1 4.06Å; A27-F48 HydrophobicContact CB-CD1 4.22Å; A27-F48 HydrophobicContact CB-CE1 3.5Å; A27-F48 HydrophobicContact CB-CZ 4.1Å; A27-V59 HydrophobicContact CB-CG1 4.09Å; A27-H60 PolarHBondContact N-O 3.23Å; A27-F61 HydrophobicContact CB-CD1 4.39Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.23Å; A27-F61 WeakPolarHBondContact O-CA 3.42Å; A27-L62 PolarHBondContact O-N 2.95Å
28	T	95.3	Very high	80	Confident	86 Å²	86	71.1 Å²	71.1	53%	0.528	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	122	-177.4	-55	0	0	0	0	111.7	G31 F33	T28-G31 WeakPolarHBondContact O-CA 3.41Å; T28-G31 PolarHBondContact O-N 3.35Å; T28-G31 VanDerWaalsContact O-N 3.11Å; T28-F33 WeakPolarHBondContact O-CE1 3.39Å
29	Y	96	Very high	82.5	Confident	46 Å²	46	70.1 Å²	70.1	18%	0.18	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.8	173.1	-175.7	-86.9	0	0	0	110.6	A27 F33 L62 G64 I73 V76 A77 Y80	A27-Y29 PolarHBondContact O-N 3.31Å; Y29-F33 HydrophobicContact CD2-CZ 4.14Å; Y29-L62 PolarHBondContact N-O 2.86Å; Y29-G64 PolarHBondContact O-N 2.99Å; Y29-I73 HydrophobicContact CD2-CG1 4.24Å; Y29-I73 HydrophobicContact CE2-CD1 4.5Å; Y29-I73 HydrophobicContact CE2-CG1 4Å; Y29-V76 HydrophobicContact CD1-CG1 4.31Å; Y29-V76 HydrophobicContact CD1-CG2 3.99Å; Y29-V76 HydrophobicContact CD2-CG1 3.66Å; Y29-V76 HydrophobicContact CE2-CG1 4.24Å; Y29-V76 HydrophobicContact CG-CB 4.43Å; Y29-V76 HydrophobicContact CG-CG1 3.71Å; Y29-V76 HydrophobicContact CG-CG2 3.83Å; Y29-A77 HydrophobicContact CE1-CB 4.33Å; Y29-A77 HydrophobicContact CE2-CB 4.28Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; Y29-Y80 HydrophobicContact CD1-CD1 4.47Å; Y29-Y80 AromaticContact CD1-CD2 3.78Å; Y29-Y80 HydrophobicContact CD1-CD2 3.78Å; Y29-Y80 HydrophobicContact CD1-CE2 4.46Å; Y29-Y80 AromaticContact CD1-CG 3.8Å; Y29-Y80 HydrophobicContact CD1-CG 3.8Å; Y29-Y80 HydrophobicContact CE1-CD1 4.04Å; Y29-Y80 HydrophobicContact CE1-CD2 4.17Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å
30	P	93	Very high	84.8	Confident	66 Å²	66	67.9 Å²	67.9	43%	0.429	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	cis	-91	3.8	19.6	35.5	-36.6	0	0	0	117	F33	P30-F33 VanDerWaalsContact O-CZ 3.23Å; P30-F33 WeakPolarHBondContact O-CZ 3.37Å
31	G	89.4	Confident	86.9	Confident	31 Å²	31	63.8 Å²	63.8	32%	0.32	39%	0.389	S	S	.	.	S	Bend	trans	106.6	-176	-175.3	0	0	0	0	0	112.7	T28	T28-G31 WeakPolarHBondContact O-CA 3.41Å; T28-G31 PolarHBondContact O-N 3.35Å; T28-G31 VanDerWaalsContact O-N 3.11Å
32	P	91.6	Very high	89.1	Confident	100 Å²	100	61 Å²	61	65%	0.649	36%	0.36	S	S	*	.			cis	-68.2	150.5	6.9	29.8	-36.5	0	0	0	113.4	I41	P32-I41 HydrophobicContact CB-CG2 3.78Å; P32-I41 HydrophobicContact CG-CG2 4.48Å
33	F	94	Very high	90.6	Very high	5 Å²	5	61.6 Å²	61.6	2%	0.022	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.1	-176	-51	-75.7	0	0	0	110.5	A27 T28 Y29 P30 I42 F48 F61	A27-F33 HydrophobicContact CB-CD1 4.06Å; T28-F33 WeakPolarHBondContact O-CE1 3.39Å; Y29-F33 HydrophobicContact CD2-CZ 4.14Å; P30-F33 VanDerWaalsContact O-CZ 3.23Å; P30-F33 WeakPolarHBondContact O-CZ 3.37Å; F33-I42 WeakPolarHBondContact CB-O 3.27Å; F33-I42 VanDerWaalsContact CD2-O 3.3Å; F33-I42 WeakPolarHBondContact CD2-O 3.1Å; F33-I42 PolarHBondContact N-O 2.97Å; F33-I42 PolarHBondContact O-N 3.31Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.9Å; F33-F48 HydrophobicContact CB-CD2 3.44Å; F33-F48 VanDerWaalsContact CB-CD2 3.44Å; F33-F48 HydrophobicContact CB-CE1 4.32Å; F33-F48 HydrophobicContact CB-CE2 3.91Å; F33-F48 HydrophobicContact CB-CG 3.43Å; F33-F48 VanDerWaalsContact CB-CG 3.43Å; F33-F48 HydrophobicContact CB-CZ 4.33Å; F33-F48 HydrophobicContact CD1-CD1 4.48Å; F33-F48 HydrophobicContact CD2-CB 4.16Å; F33-F48 HydrophobicContact CG-CB 4.09Å; F33-F48 HydrophobicContact CG-CD1 4.23Å; F33-F48 HydrophobicContact CG-CD2 4.48Å; F33-F48 HydrophobicContact CG-CG 4.01Å; F33-F61 HydrophobicContact CD1-CD1 4.41Å; F33-F61 HydrophobicContact CD1-CE1 4.13Å; F33-F61 AromaticContact CE1-CD1 3.83Å; F33-F61 HydrophobicContact CE1-CD1 3.83Å; F33-F61 AromaticContact CE1-CE1 3.74Å; F33-F61 HydrophobicContact CE1-CE1 3.74Å; F33-F61 HydrophobicContact CZ-CD1 4.5Å; F33-F61 HydrophobicContact CZ-CE1 4.21Å
34	R	93.4	Very high	91.1	Very high	177 Å²	177	57.9 Å²	57.9	67%	0.668	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	124.2	177.8	-173.3	177.9	-175.7	-163.8	-0.5	110.1	I41	R34-I41 HydrophobicContact CB-CG1 4.48Å; R34-I41 HydrophobicContact CG-CG1 4.24Å
35	C	92.2	Very high	91.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	34%	0.335	C	S	.	.			trans	-71.8	123.7	172.9	178.7	0	0	0	0	110.1	L37 C38 A39 T40 F48 H51 M52	C35-L37 PolarHBondContact O-N 3.32Å; C35-L37 PolarHBondContact SG-N 3.43Å; C35-L37 VanDerWaalsContact SG-N 3.38Å; C35-C38 PolarHBondContact SG-SG 2.89Å; C35-A39 WeakPolarHBondContact O-CA 3.44Å; C35-A39 PolarHBondContact O-N 2.9Å; C35-T40 PolarHBondContact N-O 3.24Å; C35-F48 HydrophobicContact CB-CE2 4.22Å; C35-H51 WeakPolarHBondContact CB-NE2 3.34Å; C35-H51 PolarHBondContact SG-NE2 3.41Å; C35-M52 HydrophobicContact CB-SD 4.22Å
36	P	91.1	Very high	91.3	Very high	91 Å²	91	59 Å²	59	59%	0.591	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-14.9	178.2	29.2	-34.1	0	0	0	113.2	V25	V25-P36 HydrophobicContact CG1-CG 3.71Å; V25-P36 HydrophobicContact CG2-CG 3.98Å
37	L	90.7	Very high	91.2	Very high	94 Å²	94	56.9 Å²	56.9	49%	0.492	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-31.5	-173.9	-60.3	175.3	0	0	0	113.9	C35 M52 H55 K57	C35-L37 PolarHBondContact O-N 3.32Å; C35-L37 PolarHBondContact SG-N 3.43Å; C35-L37 VanDerWaalsContact SG-N 3.38Å; L37-M52 HydrophobicContact CD1-CE 4.17Å; L37-H55 HydrophobicContact CD1-CB 3.38Å; L37-K57 HydrophobicContact CD1-CG 3.82Å
38	C	89.8	Confident	91.2	Very high	55 Å²	55	56.6 Å²	56.6	37%	0.372	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	4.7	178.1	63.9	0	0	0	0	113.7	C35 T40 H51	C35-C38 PolarHBondContact SG-SG 2.89Å; C38-T40 PolarHBondContact O-N 3.09Å; C38-T40 PolarHBondContact SG-OG1 3.19Å; C38-H51 PolarHBondContact SG-CE1 3.39Å; C38-H51 PolarHBondContact SG-NE2 3.38Å
39	A	85.7	Confident	91.1	Very high	52 Å²	52	54.7 Å²	54.7	43%	0.43	32%	0.317	S	S	.	.			trans	58.9	7.2	-176.6	0	0	0	0	0	115.6	C35 I41	C35-A39 WeakPolarHBondContact O-CA 3.44Å; C35-A39 PolarHBondContact O-N 2.9Å; A39-I41 PolarHBondContact O-N 2.92Å
40	T	87.6	Confident	90.8	Very high	16 Å²	16	55.2 Å²	55.2	10%	0.098	32%	0.321	C	S	.	.			trans	-59.2	130.3	174.8	-63.4	0	0	0	0	110.5	C35 C38 I42 K177	C35-T40 PolarHBondContact N-O 3.24Å; C38-T40 PolarHBondContact O-N 3.09Å; C38-T40 PolarHBondContact SG-OG1 3.19Å; T40-I42 HydrophobicContact CG2-CD1 4.29Å; T40-I42 HydrophobicContact CG2-CG1 3.89Å; T40-K177 VanDerWaalsContact CG2-O 3.26Å; T40-K177 WeakPolarHBondContact CG2-O 3.49Å
41	I	91.1	Very high	90.8	Very high	99 Å²	99	52.3 Å²	52.3	51%	0.508	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	119.1	177.9	-58.3	174.6	0	0	0	108.2	P32 R34 A39	P32-I41 HydrophobicContact CB-CG2 3.78Å; P32-I41 HydrophobicContact CG-CG2 4.48Å; R34-I41 HydrophobicContact CB-CG1 4.48Å; R34-I41 HydrophobicContact CG-CG1 4.24Å; A39-I41 PolarHBondContact O-N 2.92Å
42	I	90.7	Very high	90.9	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.9	-179.9	-56.6	177.4	0	0	0	108.2	F33 T40 V44 N47 F48 H51	F33-I42 WeakPolarHBondContact CB-O 3.27Å; F33-I42 VanDerWaalsContact CD2-O 3.3Å; F33-I42 WeakPolarHBondContact CD2-O 3.1Å; F33-I42 PolarHBondContact N-O 2.97Å; F33-I42 PolarHBondContact O-N 3.31Å; T40-I42 HydrophobicContact CG2-CD1 4.29Å; T40-I42 HydrophobicContact CG2-CG1 3.89Å; I42-V44 VanDerWaalsContact C-N 3.3Å; I42-V44 VanDerWaalsContact CG2-O 3.3Å; I42-V44 WeakPolarHBondContact CG2-O 3.47Å; I42-V44 PolarHBondContact O-N 2.78Å; I42-N47 HydrophobicContact CG2-CB 3.5Å; I42-N47 VanDerWaalsContact CG2-CB 3.5Å; I42-F48 HydrophobicContact CB-CB 4.23Å; I42-F48 HydrophobicContact CB-CD2 4.34Å; I42-F48 HydrophobicContact CD1-CB 4.45Å; I42-F48 HydrophobicContact CD1-CD2 4.15Å; I42-F48 HydrophobicContact CG2-CB 4.23Å; I42-H51 HydrophobicContact CD1-CB 3.29Å
43	A	88.2	Confident	90.9	Very high	77 Å²	77	54.4 Å²	54.4	64%	0.636	29%	0.287	S	S	*	.	S	Bend	trans	-74.8	-21.8	-179	0	0	0	0	0	113.1
44	V	89.1	Confident	90.8	Very high	63 Å²	63	58.6 Å²	58.6	38%	0.382	31%	0.312	S	S	.	.	S	Bend	trans	-115.2	123.9	-171.7	-164.5	0	0	0	0	111	I42 H46 N47 F48	I42-V44 VanDerWaalsContact C-N 3.3Å; I42-V44 VanDerWaalsContact CG2-O 3.3Å; I42-V44 WeakPolarHBondContact CG2-O 3.47Å; I42-V44 PolarHBondContact O-N 2.78Å; V44-H46 VanDerWaalsContact C-N 3.32Å; V44-H46 WeakPolarHBondContact CG1-CE1 3.41Å; V44-H46 WeakPolarHBondContact CG1-ND1 3.29Å; V44-H46 PolarHBondContact O-N 3.06Å; V44-N47 HydrophobicContact CB-CB 4.4Å; V44-N47 WeakPolarHBondContact O-CB 3.22Å; V44-N47 PolarHBondContact O-N 3.08Å; V44-F48 PolarHBondContact O-N 3.16Å
45	G	91.1	Very high	90.6	Very high	3 Å²	3	53 Å²	53	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-69.5	-24.3	-170	0	0	0	0	0	114.9	F48 L49 I73	G45-F48 PolarHBondContact O-N 3.22Å; G45-L49 PolarHBondContact O-N 2.86Å; G45-I73 VanDerWaalsContact CA-CD1 3.44Å
46	H	90.9	Very high	90.6	Very high	107 Å²	107	56.2 Å²	56.2	50%	0.495	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-43	172.6	69.6	-103.7	0	0	0	111.6	V44 F48 L49 E50	V44-H46 VanDerWaalsContact C-N 3.32Å; V44-H46 WeakPolarHBondContact CG1-CE1 3.41Å; V44-H46 WeakPolarHBondContact CG1-ND1 3.29Å; V44-H46 PolarHBondContact O-N 3.06Å; H46-F48 VanDerWaalsContact C-N 3.27Å; H46-F48 PolarHBondContact O-N 3.41Å; H46-L49 WeakPolarHBondContact O-CB 3.42Å; H46-L49 PolarHBondContact O-N 2.96Å; H46-E50 PolarHBondContact O-N 2.71Å
47	N	90.6	Very high	90.6	Very high	17 Å²	17	56.1 Å²	56.1	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-36.3	173.9	-77.6	-6.6	0	0	0	110.9	I42 V44 E50 H51 G179	I42-N47 HydrophobicContact CG2-CB 3.5Å; I42-N47 VanDerWaalsContact CG2-CB 3.5Å; V44-N47 HydrophobicContact CB-CB 4.4Å; V44-N47 WeakPolarHBondContact O-CB 3.22Å; V44-N47 PolarHBondContact O-N 3.08Å; N47-E50 PolarHBondContact O-N 3.24Å; N47-H51 WeakPolarHBondContact O-CB 3.36Å; N47-H51 PolarHBondContact O-N 3.29Å; N47-G179 VanDerWaalsContact CB-O 3.22Å; N47-G179 WeakPolarHBondContact CB-O 3.29Å; N47-G179 PolarHBondContact ND2-O 3.22Å
48	F	93.5	Very high	90.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-43	175.4	-175.9	-106.9	0	0	0	111.9	V25 A27 F33 C35 I42 V44 G45 H46 H51 M52 V59 F61	V25-F48 HydrophobicContact CG1-CZ 4.34Å; A27-F48 HydrophobicContact CB-CD1 4.22Å; A27-F48 HydrophobicContact CB-CE1 3.5Å; A27-F48 HydrophobicContact CB-CZ 4.1Å; F33-F48 HydrophobicContact CB-CB 3.85Å; F33-F48 HydrophobicContact CB-CD1 3.9Å; F33-F48 HydrophobicContact CB-CD2 3.44Å; F33-F48 VanDerWaalsContact CB-CD2 3.44Å; F33-F48 HydrophobicContact CB-CE1 4.32Å; F33-F48 HydrophobicContact CB-CE2 3.91Å; F33-F48 HydrophobicContact CB-CG 3.43Å; F33-F48 VanDerWaalsContact CB-CG 3.43Å; F33-F48 HydrophobicContact CB-CZ 4.33Å; F33-F48 HydrophobicContact CD1-CD1 4.48Å; F33-F48 HydrophobicContact CD2-CB 4.16Å; F33-F48 HydrophobicContact CG-CB 4.09Å; F33-F48 HydrophobicContact CG-CD1 4.23Å; F33-F48 HydrophobicContact CG-CD2 4.48Å; F33-F48 HydrophobicContact CG-CG 4.01Å; C35-F48 HydrophobicContact CB-CE2 4.22Å; I42-F48 HydrophobicContact CB-CB 4.23Å; I42-F48 HydrophobicContact CB-CD2 4.34Å; I42-F48 HydrophobicContact CD1-CB 4.45Å; I42-F48 HydrophobicContact CD1-CD2 4.15Å; I42-F48 HydrophobicContact CG2-CB 4.23Å; V44-F48 PolarHBondContact O-N 3.16Å; G45-F48 PolarHBondContact O-N 3.22Å; H46-F48 VanDerWaalsContact C-N 3.27Å; H46-F48 PolarHBondContact O-N 3.41Å; F48-H51 PolarHBondContact O-N 2.73Å; F48-M52 HydrophobicContact CD1-CG 4.27Å; F48-M52 HydrophobicContact CD2-CG 4.39Å; F48-M52 HydrophobicContact CE1-CG 3.87Å; F48-M52 HydrophobicContact CE2-CG 4.01Å; F48-M52 HydrophobicContact CE2-SD 3.93Å; F48-M52 HydrophobicContact CZ-CG 3.73Å; F48-M52 HydrophobicContact CZ-SD 3.84Å; F48-M52 VanDerWaalsContact O-CG 3.28Å; F48-M52 WeakPolarHBondContact O-CG 3.44Å; F48-M52 PolarHBondContact O-N 3.43Å; F48-V59 HydrophobicContact CD1-CG1 4.08Å; F48-V59 HydrophobicContact CD1-CG2 4.47Å; F48-V59 HydrophobicContact CE1-CB 4.5Å; F48-V59 HydrophobicContact CE1-CG1 3.65Å; F48-V59 HydrophobicContact CE1-CG2 3.97Å; F48-F61 HydrophobicContact CD1-CE1 4.41Å
49	L	92.3	Very high	90.8	Very high	47 Å²	47	56.1 Å²	56.1	25%	0.246	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-47	173.6	-75.8	166.3	0	0	0	112.3	G45 H46 H51 M52 R53 V59 F61 I73	G45-L49 PolarHBondContact O-N 2.86Å; H46-L49 WeakPolarHBondContact O-CB 3.42Å; H46-L49 PolarHBondContact O-N 2.96Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.26Å; L49-M52 PolarHBondContact O-N 3.47Å; L49-R53 WeakPolarHBondContact O-CG 3.37Å; L49-R53 PolarHBondContact O-N 3.41Å; L49-V59 HydrophobicContact CD2-CB 3.85Å; L49-V59 HydrophobicContact CD2-CG1 4.34Å; L49-V59 HydrophobicContact CD2-CG2 4.33Å; L49-F61 HydrophobicContact CD1-CE2 3.91Å; L49-F61 HydrophobicContact CD1-CZ 4Å; L49-F61 HydrophobicContact CD2-CE2 3.82Å; L49-F61 HydrophobicContact CD2-CZ 4.02Å; L49-F61 HydrophobicContact CG-CE2 3.93Å; L49-F61 HydrophobicContact CG-CZ 3.76Å; L49-I73 HydrophobicContact CD1-CB 4.44Å; L49-I73 HydrophobicContact CD1-CG2 4.27Å
50	E	91.5	Very high	91.2	Very high	56 Å²	56	55.3 Å²	55.3	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-61.2	-43	177.6	-169.6	179.2	150.9	0	0	111.7	H46 N47 M52 R53 F175 T181	H46-E50 PolarHBondContact O-N 2.71Å; N47-E50 PolarHBondContact O-N 3.24Å; E50-M52 PolarHBondContact O-N 3.23Å; E50-R53 WeakPolarHBondContact O-CB 3.39Å; E50-R53 PolarHBondContact O-N 3.36Å; E50-F175 HydrophobicContact CB-CE2 4.49Å; E50-F175 HydrophobicContact CG-CE2 3.88Å; E50-F175 HydrophobicContact CG-CZ 4.15Å; E50-T181 PolarHBondContact OE1-OG1 3.29Å
51	H	91.8	Very high	91.6	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-45.2	175	171.1	78.1	0	0	0	112.4	C35 C38 I42 N47 F48 L49 R53 V54 H55	C35-H51 WeakPolarHBondContact CB-NE2 3.34Å; C35-H51 PolarHBondContact SG-NE2 3.41Å; C38-H51 PolarHBondContact SG-CE1 3.39Å; C38-H51 PolarHBondContact SG-NE2 3.38Å; I42-H51 HydrophobicContact CD1-CB 3.29Å; N47-H51 WeakPolarHBondContact O-CB 3.36Å; N47-H51 PolarHBondContact O-N 3.29Å; F48-H51 PolarHBondContact O-N 2.73Å; L49-H51 VanDerWaalsContact C-N 3.33Å; L49-H51 PolarHBondContact O-N 3.26Å; H51-R53 PolarHBondContact O-N 3.3Å; H51-V54 VanDerWaalsContact O-CB 3.24Å; H51-V54 WeakPolarHBondContact O-CB 3.39Å; H51-V54 WeakPolarHBondContact O-CG2 3.36Å; H51-V54 PolarHBondContact O-N 3.49Å; H51-H55 AromaticContact CE1-NE2 3.87Å; H51-H55 AromaticContact NE2-CD2 3.85Å; H51-H55 AromaticContact NE2-NE2 3.6Å
52	M	92.7	Very high	91.8	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-19.3	-179	-67	-57.1	-52.9	0	0	113.4	V25 C35 L37 F48 L49 E50 V54 H55 G56 K57 V59	V25-M52 HydrophobicContact CB-CE 4.01Å; V25-M52 HydrophobicContact CG1-CE 4.21Å; V25-M52 HydrophobicContact CG2-CE 3.6Å; C35-M52 HydrophobicContact CB-SD 4.22Å; L37-M52 HydrophobicContact CD1-CE 4.17Å; F48-M52 HydrophobicContact CD1-CG 4.27Å; F48-M52 HydrophobicContact CD2-CG 4.39Å; F48-M52 HydrophobicContact CE1-CG 3.87Å; F48-M52 HydrophobicContact CE2-CG 4.01Å; F48-M52 HydrophobicContact CE2-SD 3.93Å; F48-M52 HydrophobicContact CZ-CG 3.73Å; F48-M52 HydrophobicContact CZ-SD 3.84Å; F48-M52 VanDerWaalsContact O-CG 3.28Å; F48-M52 WeakPolarHBondContact O-CG 3.44Å; F48-M52 PolarHBondContact O-N 3.43Å; L49-M52 PolarHBondContact O-N 3.47Å; E50-M52 PolarHBondContact O-N 3.23Å; M52-V54 VanDerWaalsContact C-N 3.26Å; M52-V54 PolarHBondContact O-N 3.11Å; M52-H55 HydrophobicContact CE-CB 4.37Å; M52-H55 PolarHBondContact O-N 3.03Å; M52-H55 VanDerWaalsContact O-N 3.1Å; M52-G56 PolarHBondContact O-N 3.38Å; M52-K57 HydrophobicContact CE-CB 3.71Å; M52-K57 HydrophobicContact CE-CG 4.19Å; M52-K57 PolarHBondContact O-N 3.5Å; M52-V59 HydrophobicContact CB-CG2 3.51Å; M52-V59 HydrophobicContact CG-CG2 3.43Å; M52-V59 VanDerWaalsContact CG-CG2 3.43Å
53	R	91.7	Very high	92	Very high	175 Å²	175	51.9 Å²	51.9	66%	0.66	28%	0.279	S	S	*	.	H	α-helix	trans	-63.6	-31	169.6	-60.5	-176.5	-136.4	150.5	8.8	112.6	L49 E50 H51 H55 G56	L49-R53 WeakPolarHBondContact O-CG 3.37Å; L49-R53 PolarHBondContact O-N 3.41Å; E50-R53 WeakPolarHBondContact O-CB 3.39Å; E50-R53 PolarHBondContact O-N 3.36Å; H51-R53 PolarHBondContact O-N 3.3Å; R53-H55 PolarHBondContact O-N 3.34Å; R53-G56 PolarHBondContact O-N 3.35Å
54	V	90	Very high	92.2	Very high	92 Å²	92	50.6 Å²	50.6	56%	0.558	27%	0.274	S	S	*	.	H	α-helix	trans	-61	-30.8	174.4	-178.3	0	0	0	0	111.2	H51 M52 F175	H51-V54 VanDerWaalsContact O-CB 3.24Å; H51-V54 WeakPolarHBondContact O-CB 3.39Å; H51-V54 WeakPolarHBondContact O-CG2 3.36Å; H51-V54 PolarHBondContact O-N 3.49Å; M52-V54 VanDerWaalsContact C-N 3.26Å; M52-V54 PolarHBondContact O-N 3.11Å; V54-F175 HydrophobicContact CG2-CE1 3.39Å; V54-F175 HydrophobicContact CG2-CZ 3.67Å
55	H	90.6	Very high	92.4	Very high	60 Å²	60	53.1 Å²	53.1	28%	0.278	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-2.5	176.4	-65.8	-59	0	0	0	113.7	L37 H51 M52 R53 K57	L37-H55 HydrophobicContact CD1-CB 3.38Å; H51-H55 AromaticContact CE1-NE2 3.87Å; H51-H55 AromaticContact NE2-CD2 3.85Å; H51-H55 AromaticContact NE2-NE2 3.6Å; M52-H55 HydrophobicContact CE-CB 4.37Å; M52-H55 PolarHBondContact O-N 3.03Å; M52-H55 VanDerWaalsContact O-N 3.1Å; R53-H55 PolarHBondContact O-N 3.34Å; H55-K57 HydrophobicContact CB-CG 4.11Å; H55-K57 PolarHBondContact O-N 3.46Å
56	G	91.2	Very high	92.5	Very high	68 Å²	68	55.2 Å²	55.2	70%	0.701	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	28.5	-173.6	0	0	0	0	0	113.2	M52 R53	M52-G56 PolarHBondContact O-N 3.38Å; R53-G56 PolarHBondContact O-N 3.35Å
57	K	91	Very high	92.5	Very high	88 Å²	88	54.5 Å²	54.5	38%	0.383	30%	0.3	S	S	.	.			trans	-107.5	134.5	-179.8	-63.8	-56.8	-177.9	-180	0	111.1	V25 L37 M52 H55	V25-K57 HydrophobicContact CG2-CB 4.08Å; V25-K57 HydrophobicContact CG2-CG 4.3Å; L37-K57 HydrophobicContact CD1-CG 3.82Å; M52-K57 HydrophobicContact CE-CB 3.71Å; M52-K57 HydrophobicContact CE-CG 4.19Å; M52-K57 PolarHBondContact O-N 3.5Å; H55-K57 HydrophobicContact CB-CG 4.11Å; H55-K57 PolarHBondContact O-N 3.46Å
58	E	92.3	Very high	92.7	Very high	141 Å²	141	59.8 Å²	59.8	66%	0.659	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	153.8	166.9	-64.5	-167.3	155.8	0	0	110.4	F24 V25	F24-E58 CarbonylContact C-O 3.55Å; F24-E58 VanDerWaalsContact CA-O 3.24Å; F24-E58 WeakPolarHBondContact CA-O 3.49Å; F24-E58 HydrophobicContact CB-CB 4.06Å; F24-E58 WeakPolarHBondContact CB-O 3.27Å; V25-E58 PolarHBondContact N-O 3.49Å
59	V	92.4	Very high	92.7	Very high	9 Å²	9	62.9 Å²	62.9	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.3	-177.4	176.1	0	0	0	0	109.5	V25 A27 F48 L49 M52 F61	V25-V59 HydrophobicContact CB-CG2 4.44Å; V25-V59 CarbonylContact O-C 3.57Å; V25-V59 VanDerWaalsContact O-CA 3.25Å; V25-V59 WeakPolarHBondContact O-CA 3.46Å; A27-V59 HydrophobicContact CB-CG1 4.09Å; F48-V59 HydrophobicContact CD1-CG1 4.08Å; F48-V59 HydrophobicContact CD1-CG2 4.47Å; F48-V59 HydrophobicContact CE1-CB 4.5Å; F48-V59 HydrophobicContact CE1-CG1 3.65Å; F48-V59 HydrophobicContact CE1-CG2 3.97Å; L49-V59 HydrophobicContact CD2-CB 3.85Å; L49-V59 HydrophobicContact CD2-CG1 4.34Å; L49-V59 HydrophobicContact CD2-CG2 4.33Å; M52-V59 HydrophobicContact CB-CG2 3.51Å; M52-V59 HydrophobicContact CG-CG2 3.43Å; M52-V59 VanDerWaalsContact CG-CG2 3.43Å; V59-F61 HydrophobicContact CG1-CE1 4.43Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.16Å
60	H	94.4	Very high	92.8	Very high	35 Å²	35	62.9 Å²	62.9	16%	0.162	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.2	164.7	-73.4	67.4	0	0	0	110.1	F24 V25 A26 A27 W70	F24-H60 WeakPolarHBondContact CB-ND1 3.46Å; F24-H60 AromaticContact CD1-CE1 3.54Å; F24-H60 AromaticContact CD1-ND1 3.31Å; F24-H60 VanDerWaalsContact CD1-ND1 3.31Å; F24-H60 WeakPolarHBondContact CD1-ND1 3.39Å; F24-H60 HydrophobicContact CD2-CB 3.58Å; F24-H60 AromaticContact CD2-CG 3.66Å; F24-H60 AromaticContact CD2-ND1 3.37Å; F24-H60 WeakPolarHBondContact CD2-ND1 3.34Å; F24-H60 AromaticContact CE1-CE1 3.98Å; F24-H60 AromaticContact CE1-ND1 3.82Å; F24-H60 HydrophobicContact CE2-CB 3.61Å; F24-H60 AromaticContact CE2-CG 3.79Å; F24-H60 AromaticContact CE2-ND1 3.89Å; F24-H60 HydrophobicContact CG-CB 4.24Å; F24-H60 AromaticContact CG-CE1 3.75Å; F24-H60 AromaticContact CG-CG 3.83Å; F24-H60 AromaticContact CG-ND1 3.05Å; F24-H60 WeakPolarHBondContact CG-ND1 3.27Å; F24-H60 HydrophobicContact CZ-CB 4.27Å; V25-H60 PolarHBondContact O-N 2.95Å; A26-H60 CarbonylContact C-O 3.52Å; A26-H60 WeakPolarHBondContact CA-O 3.37Å; A27-H60 PolarHBondContact N-O 3.23Å; H60-W70 CarbonylContact C-O 3.44Å; H60-W70 WeakPolarHBondContact CA-O 3.4Å
61	F	95.9	Very high	92.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.1	178.5	-65.3	-85.6	0	0	0	111.3	A27 F33 F48 L49 V59 S69 W70 I73 V76	A27-F61 HydrophobicContact CB-CD1 4.39Å; A27-F61 CarbonylContact O-C 3.55Å; A27-F61 VanDerWaalsContact O-CA 3.23Å; A27-F61 WeakPolarHBondContact O-CA 3.42Å; F33-F61 HydrophobicContact CD1-CD1 4.41Å; F33-F61 HydrophobicContact CD1-CE1 4.13Å; F33-F61 AromaticContact CE1-CD1 3.83Å; F33-F61 HydrophobicContact CE1-CD1 3.83Å; F33-F61 AromaticContact CE1-CE1 3.74Å; F33-F61 HydrophobicContact CE1-CE1 3.74Å; F33-F61 HydrophobicContact CZ-CD1 4.5Å; F33-F61 HydrophobicContact CZ-CE1 4.21Å; F48-F61 HydrophobicContact CD1-CE1 4.41Å; L49-F61 HydrophobicContact CD1-CE2 3.91Å; L49-F61 HydrophobicContact CD1-CZ 4Å; L49-F61 HydrophobicContact CD2-CE2 3.82Å; L49-F61 HydrophobicContact CD2-CZ 4.02Å; L49-F61 HydrophobicContact CG-CE2 3.93Å; L49-F61 HydrophobicContact CG-CZ 3.76Å; V59-F61 HydrophobicContact CG1-CE1 4.43Å; V59-F61 HydrophobicContact CG1-CE2 4.2Å; V59-F61 HydrophobicContact CG1-CZ 4.16Å; F61-S69 CarbonylContact O-C 3.51Å; F61-S69 WeakPolarHBondContact O-CA 3.29Å; F61-W70 PolarHBondContact N-O 3.23Å; F61-W70 PolarHBondContact O-N 2.82Å; F61-I73 HydrophobicContact CD2-CB 4.25Å; F61-I73 HydrophobicContact CE1-CG1 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.78Å; F61-I73 HydrophobicContact CZ-CB 3.91Å; F61-I73 HydrophobicContact CZ-CG1 4.31Å; F61-V76 HydrophobicContact CB-CB 3.91Å; F61-V76 HydrophobicContact CB-CG1 3.5Å; F61-V76 HydrophobicContact CB-CG2 4.19Å; F61-V76 HydrophobicContact CG-CG1 4Å
62	L	95.7	Very high	92.8	Very high	45 Å²	45	66.6 Å²	66.6	24%	0.236	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	136.6	174.1	-48.6	91	0	0	0	110.8	A26 A27 Y29 G64 K68	A26-L62 HydrophobicContact CB-CD1 3.43Å; A26-L62 VanDerWaalsContact CB-CD1 3.43Å; A26-L62 HydrophobicContact CB-CG 4.48Å; A27-L62 PolarHBondContact O-N 2.95Å; Y29-L62 PolarHBondContact N-O 2.86Å; L62-G64 PolarHBondContact O-N 3.33Å; L62-K68 CarbonylContact C-O 3.47Å; L62-K68 VanDerWaalsContact CA-O 3.28Å; L62-K68 WeakPolarHBondContact CA-O 3.26Å
63	C	94.8	Very high	92.8	Very high	1 Å²	1	68.8 Å²	68.8	1%	0.007	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	119.4	171.4	175.9	0	0	0	0	109.8	K65 C66 S67 K68 W70 V76	C63-K65 PolarHBondContact O-N 3.33Å; C63-K65 PolarHBondContact SG-N 2.99Å; C63-K65 VanDerWaalsContact SG-N 3.4Å; C63-C66 PolarHBondContact O-N 3.49Å; C63-S67 WeakPolarHBondContact O-CA 3.1Å; C63-S67 PolarHBondContact O-N 3.49Å; C63-K68 PolarHBondContact N-O 2.72Å; C63-W70 HydrophobicContact CB-CH2 4.05Å; C63-W70 HydrophobicContact CB-CZ3 3.56Å; C63-V76 HydrophobicContact CB-CG2 4.33Å
64	G	93.5	Very high	92.9	Very high	50 Å²	50	66.9 Å²	66.9	52%	0.515	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-8.2	176	0	0	0	0	0	115.7	Y29 L62	Y29-G64 PolarHBondContact O-N 2.99Å; L62-G64 PolarHBondContact O-N 3.33Å
65	K	92.2	Very high	93.1	Very high	115 Å²	115	64 Å²	64	50%	0.5	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-30.3	177.3	-64.6	173.1	175.5	178.9	0	114.4	C63 Y80 C83	C63-K65 PolarHBondContact O-N 3.33Å; C63-K65 PolarHBondContact SG-N 2.99Å; C63-K65 VanDerWaalsContact SG-N 3.4Å; K65-Y80 HydrophobicContact CD-CD2 4.33Å; K65-Y80 HydrophobicContact CD-CE2 4.04Å; K65-Y80 HydrophobicContact CG-CD2 4.45Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.49Å; K65-C83 HydrophobicContact CB-CB 4.45Å; K65-C83 VanDerWaalsContact CB-SG 3.54Å; K65-C83 HydrophobicContact CD-CB 3.87Å
66	C	93	Very high	93.4	Very high	48 Å²	48	61.1 Å²	61.1	32%	0.324	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	1.6	-172.8	74.9	0	0	0	0	114.4	C63 K68 H79 C83	C63-C66 PolarHBondContact O-N 3.49Å; C66-K68 PolarHBondContact O-N 2.93Å; C66-H79 PolarHBondContact SG-NE2 2.94Å; C66-C83 VanDerWaalsContact SG-SG 3.7Å
67	S	91.8	Very high	93.5	Very high	91 Å²	91	59.3 Å²	59.3	64%	0.636	33%	0.327	S	S	*	.			trans	60.6	4.7	176.8	-50.7	0	0	0	0	116.7	C63	C63-S67 WeakPolarHBondContact O-CA 3.1Å; C63-S67 PolarHBondContact O-N 3.49Å
68	K	93.4	Very high	93.6	Very high	128 Å²	128	57.9 Å²	57.9	56%	0.557	33%	0.328	S	S	*	.			trans	-59.3	147.7	167.8	-68.9	179.9	-175.7	-174.7	0	109.9	L62 C63 C66 W70	L62-K68 CarbonylContact C-O 3.47Å; L62-K68 VanDerWaalsContact CA-O 3.28Å; L62-K68 WeakPolarHBondContact CA-O 3.26Å; C63-K68 PolarHBondContact N-O 2.72Å; C66-K68 PolarHBondContact O-N 2.93Å; K68-W70 VanDerWaalsContact C-CZ3 3.43Å; K68-W70 HydrophobicContact CB-CH2 3.31Å; K68-W70 HydrophobicContact CB-CZ2 4.03Å; K68-W70 HydrophobicContact CB-CZ3 3.71Å; K68-W70 HydrophobicContact CD-CH2 4.35Å; K68-W70 HydrophobicContact CG-CH2 4.44Å; K68-W70 WeakPolarHBondContact O-CZ3 2.79Å
69	S	94	Very high	93.6	Very high	65 Å²	65	53.2 Å²	53.2	46%	0.455	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	151.4	-177.8	61.2	0	0	0	0	112.3	F61	F61-S69 CarbonylContact O-C 3.51Å; F61-S69 WeakPolarHBondContact O-CA 3.29Å
70	W	94.6	Very high	93.6	Very high	48 Å²	48	56 Å²	56	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.1	171.5	-66.5	-94.4	0	0	0	111.4	H60 F61 C63 K68 T72 S75 V76 H79	H60-W70 CarbonylContact C-O 3.44Å; H60-W70 WeakPolarHBondContact CA-O 3.4Å; F61-W70 PolarHBondContact N-O 3.23Å; F61-W70 PolarHBondContact O-N 2.82Å; C63-W70 HydrophobicContact CB-CH2 4.05Å; C63-W70 HydrophobicContact CB-CZ3 3.56Å; K68-W70 VanDerWaalsContact C-CZ3 3.43Å; K68-W70 HydrophobicContact CB-CH2 3.31Å; K68-W70 HydrophobicContact CB-CZ2 4.03Å; K68-W70 HydrophobicContact CB-CZ3 3.71Å; K68-W70 HydrophobicContact CD-CH2 4.35Å; K68-W70 HydrophobicContact CG-CH2 4.44Å; K68-W70 WeakPolarHBondContact O-CZ3 2.79Å; W70-T72 PolarHBondContact O-N 2.77Å; W70-S75 WeakPolarHBondContact CB-OG 3.41Å; W70-V76 HydrophobicContact CB-CB 4.25Å; W70-V76 HydrophobicContact CD2-CB 4.01Å; W70-V76 HydrophobicContact CD2-CG2 4.38Å; W70-V76 HydrophobicContact CE3-CB 3.57Å; W70-V76 HydrophobicContact CE3-CG2 3.49Å; W70-V76 VanDerWaalsContact CE3-CG2 3.49Å; W70-V76 HydrophobicContact CG-CB 4.31Å; W70-V76 HydrophobicContact CZ3-CB 4.32Å; W70-V76 HydrophobicContact CZ3-CG2 3.79Å; W70-H79 HydrophobicContact CH2-CB 3.67Å; W70-H79 AromaticContact CH2-CD2 3.03Å; W70-H79 WeakPolarHBondContact CH2-CD2 3.34Å; W70-H79 AromaticContact CH2-CE1 3.75Å; W70-H79 AromaticContact CH2-CG 3.12Å; W70-H79 AromaticContact CH2-ND1 3.58Å; W70-H79 AromaticContact CH2-NE2 3.47Å; W70-H79 WeakPolarHBondContact CH2-NE2 3.46Å; W70-H79 HydrophobicContact CZ2-CB 3.37Å; W70-H79 AromaticContact CZ2-CD2 3.64Å; W70-H79 AromaticContact CZ2-CG 3.16Å; W70-H79 AromaticContact CZ2-ND1 3.44Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.25Å; W70-H79 HydrophobicContact CZ3-CB 4.38Å; W70-H79 AromaticContact CZ3-CD2 3.76Å
71	P	91.5	Very high	93.4	Very high	73 Å²	73	57.3 Å²	57.3	47%	0.474	33%	0.329	S	S	.	.	S	Bend	trans	-71.8	-16	177.7	28.3	-35.1	0	0	0	113.4
72	T	91.9	Very high	93	Very high	66 Å²	66	64.2 Å²	64.2	41%	0.405	36%	0.359	S	S	.	.	S	Bend	trans	-128.4	147.2	-175.4	67.7	0	0	0	0	112.8	W70 H74 S75 V76	W70-T72 PolarHBondContact O-N 2.77Å; T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 2.74Å; T72-S75 PolarHBondContact O-N 2.93Å; T72-S75 PolarHBondContact O-OG 3.4Å; T72-S75 WeakPolarHBondContact OG1-CB 3.39Å; T72-S75 PolarHBondContact OG1-N 3Å; T72-S75 PolarHBondContact OG1-OG 3.24Å; T72-V76 PolarHBondContact O-N 2.85Å
73	I	93.2	Very high	92.7	Very high	47 Å²	47	62.9 Å²	62.9	24%	0.241	35%	0.353	C	S	.	.	H	α-helix	trans	-62.1	-35.1	176.8	-167.2	-179	0	0	0	112.3	Y29 G45 L49 F61 V76 A77	Y29-I73 HydrophobicContact CD2-CG1 4.24Å; Y29-I73 HydrophobicContact CE2-CD1 4.5Å; Y29-I73 HydrophobicContact CE2-CG1 4Å; G45-I73 VanDerWaalsContact CA-CD1 3.44Å; L49-I73 HydrophobicContact CD1-CB 4.44Å; L49-I73 HydrophobicContact CD1-CG2 4.27Å; F61-I73 HydrophobicContact CD2-CB 4.25Å; F61-I73 HydrophobicContact CE1-CG1 4.45Å; F61-I73 HydrophobicContact CE2-CB 3.78Å; F61-I73 HydrophobicContact CZ-CB 3.91Å; F61-I73 HydrophobicContact CZ-CG1 4.31Å; I73-V76 WeakPolarHBondContact O-CG1 3.26Å; I73-A77 VanDerWaalsContact O-CB 3.29Å; I73-A77 WeakPolarHBondContact O-CB 3.16Å; I73-A77 PolarHBondContact O-N 3.29Å
74	H	93.6	Very high	92.1	Very high	135 Å²	135	66.6 Å²	66.6	63%	0.625	39%	0.392	S	S	*	.	H	α-helix	trans	-65.7	-43.4	-178.3	179.9	72.1	0	0	0	111.6	T72 A77 C78	T72-H74 VanDerWaalsContact C-N 3.26Å; T72-H74 PolarHBondContact O-N 2.74Å; H74-A77 PolarHBondContact O-N 3.34Å; H74-C78 WeakPolarHBondContact O-CB 3.49Å; H74-C78 PolarHBondContact O-N 3.13Å; H74-C78 PolarHBondContact O-SG 3.41Å
75	S	94.6	Very high	91.3	Very high	30 Å²	30	72.8 Å²	72.8	21%	0.21	40%	0.399	C	S	.	.	H	α-helix	trans	-69.6	-42.5	-178	54	0	0	0	0	112.3	W70 T72 A77 C78 H79	W70-S75 WeakPolarHBondContact CB-OG 3.41Å; T72-S75 PolarHBondContact O-N 2.93Å; T72-S75 PolarHBondContact O-OG 3.4Å; T72-S75 WeakPolarHBondContact OG1-CB 3.39Å; T72-S75 PolarHBondContact OG1-N 3Å; T72-S75 PolarHBondContact OG1-OG 3.24Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.34Å; S75-C78 PolarHBondContact O-N 3.38Å; S75-H79 PolarHBondContact O-N 2.85Å
76	V	95.3	Very high	90.2	Very high	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-62.8	-36.9	172.2	66.7	0	0	0	0	111.8	Y29 F61 C63 W70 T72 I73 H79 Y80	Y29-V76 HydrophobicContact CD1-CG1 4.31Å; Y29-V76 HydrophobicContact CD1-CG2 3.99Å; Y29-V76 HydrophobicContact CD2-CG1 3.66Å; Y29-V76 HydrophobicContact CE2-CG1 4.24Å; Y29-V76 HydrophobicContact CG-CB 4.43Å; Y29-V76 HydrophobicContact CG-CG1 3.71Å; Y29-V76 HydrophobicContact CG-CG2 3.83Å; F61-V76 HydrophobicContact CB-CB 3.91Å; F61-V76 HydrophobicContact CB-CG1 3.5Å; F61-V76 HydrophobicContact CB-CG2 4.19Å; F61-V76 HydrophobicContact CG-CG1 4Å; C63-V76 HydrophobicContact CB-CG2 4.33Å; W70-V76 HydrophobicContact CB-CB 4.25Å; W70-V76 HydrophobicContact CD2-CB 4.01Å; W70-V76 HydrophobicContact CD2-CG2 4.38Å; W70-V76 HydrophobicContact CE3-CB 3.57Å; W70-V76 HydrophobicContact CE3-CG2 3.49Å; W70-V76 VanDerWaalsContact CE3-CG2 3.49Å; W70-V76 HydrophobicContact CG-CB 4.31Å; W70-V76 HydrophobicContact CZ3-CB 4.32Å; W70-V76 HydrophobicContact CZ3-CG2 3.79Å; T72-V76 PolarHBondContact O-N 2.85Å; I73-V76 WeakPolarHBondContact O-CG1 3.26Å; V76-H79 PolarHBondContact O-N 3.38Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 3.34Å; V76-Y80 PolarHBondContact O-N 2.9Å
77	A	94.6	Very high	88.7	Confident	30 Å²	30	80.6 Å²	80.6	25%	0.248	44%	0.436	C	S	.	.	H	α-helix	trans	-66	-45.4	178.2	0	0	0	0	0	111.8	Y29 I73 H74 S75 H79 Y80 S81	Y29-A77 HydrophobicContact CE1-CB 4.33Å; Y29-A77 HydrophobicContact CE2-CB 4.28Å; Y29-A77 WeakPolarHBondContact OH-CB 3.47Å; I73-A77 VanDerWaalsContact O-CB 3.29Å; I73-A77 WeakPolarHBondContact O-CB 3.16Å; I73-A77 PolarHBondContact O-N 3.29Å; H74-A77 PolarHBondContact O-N 3.34Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.34Å; A77-H79 VanDerWaalsContact C-N 3.29Å; A77-H79 PolarHBondContact O-N 2.89Å; A77-Y80 PolarHBondContact O-N 3.42Å; A77-S81 PolarHBondContact O-N 3.22Å
78	C	93.2	Very high	87.2	Confident	59 Å²	59	81.7 Å²	81.7	40%	0.399	44%	0.44	S	S	.	.	H	α-helix	trans	-56.9	-44.5	173.7	-78.9	0	0	0	0	111.2	H74 S75 S81	H74-C78 WeakPolarHBondContact O-CB 3.49Å; H74-C78 PolarHBondContact O-N 3.13Å; H74-C78 PolarHBondContact O-SG 3.41Å; S75-C78 PolarHBondContact O-N 3.38Å; C78-S81 PolarHBondContact O-OG 2.86Å
79	H	92	Very high	85.8	Confident	42 Å²	42	86 Å²	86	19%	0.194	45%	0.452	C	S	.	.	H	α-helix	trans	-65	-50.8	174.3	171.6	83.9	0	0	0	112.6	C66 W70 S75 V76 A77 S81 K82 C83	C66-H79 PolarHBondContact SG-NE2 2.94Å; W70-H79 HydrophobicContact CH2-CB 3.67Å; W70-H79 AromaticContact CH2-CD2 3.03Å; W70-H79 WeakPolarHBondContact CH2-CD2 3.34Å; W70-H79 AromaticContact CH2-CE1 3.75Å; W70-H79 AromaticContact CH2-CG 3.12Å; W70-H79 AromaticContact CH2-ND1 3.58Å; W70-H79 AromaticContact CH2-NE2 3.47Å; W70-H79 WeakPolarHBondContact CH2-NE2 3.46Å; W70-H79 HydrophobicContact CZ2-CB 3.37Å; W70-H79 AromaticContact CZ2-CD2 3.64Å; W70-H79 AromaticContact CZ2-CG 3.16Å; W70-H79 AromaticContact CZ2-ND1 3.44Å; W70-H79 WeakPolarHBondContact CZ2-ND1 3.25Å; W70-H79 HydrophobicContact CZ3-CB 4.38Å; W70-H79 AromaticContact CZ3-CD2 3.76Å; S75-H79 PolarHBondContact O-N 2.85Å; V76-H79 PolarHBondContact O-N 3.38Å; A77-H79 VanDerWaalsContact C-N 3.29Å; A77-H79 PolarHBondContact O-N 2.89Å; H79-S81 PolarHBondContact O-N 3.44Å; H79-S81 VanDerWaalsContact O-N 3.09Å; H79-K82 CarbonylContact O-C 3.54Å; H79-K82 PolarHBondContact O-N 3.43Å; H79-C83 VanDerWaalsContact NE2-CB 3.31Å; H79-C83 WeakPolarHBondContact NE2-CB 3.43Å; H79-C83 PolarHBondContact NE2-SG 3.03Å; H79-C83 WeakPolarHBondContact O-CB 3.34Å; H79-C83 PolarHBondContact O-N 3.23Å
80	Y	92.8	Very high	84.2	Confident	68 Å²	68	87.9 Å²	87.9	27%	0.267	47%	0.465	S	S	.	.	H	α-helix	trans	-55.3	-33.8	-173	-171.8	-90.4	0	0	0	112.8	Y29 K65 V76 A77 K82	Y29-Y80 HydrophobicContact CD1-CD1 4.47Å; Y29-Y80 AromaticContact CD1-CD2 3.78Å; Y29-Y80 HydrophobicContact CD1-CD2 3.78Å; Y29-Y80 HydrophobicContact CD1-CE2 4.46Å; Y29-Y80 AromaticContact CD1-CG 3.8Å; Y29-Y80 HydrophobicContact CD1-CG 3.8Å; Y29-Y80 HydrophobicContact CE1-CD1 4.04Å; Y29-Y80 HydrophobicContact CE1-CD2 4.17Å; Y29-Y80 AromaticContact CE1-CG 3.72Å; Y29-Y80 HydrophobicContact CE1-CG 3.72Å; K65-Y80 HydrophobicContact CD-CD2 4.33Å; K65-Y80 HydrophobicContact CD-CE2 4.04Å; K65-Y80 HydrophobicContact CG-CD2 4.45Å; K65-Y80 HydrophobicContact CG-CE2 3.88Å; K65-Y80 PolarHBondContact NZ-O 3.49Å; V76-Y80 VanDerWaalsContact O-CB 3.23Å; V76-Y80 WeakPolarHBondContact O-CB 3.34Å; V76-Y80 PolarHBondContact O-N 2.9Å; A77-Y80 PolarHBondContact O-N 3.42Å; Y80-K82 VanDerWaalsContact C-N 3.33Å; Y80-K82 PolarHBondContact O-N 3.45Å
81	S	89.8	Confident	82.7	Confident	63 Å²	63	91.2 Å²	91.2	44%	0.441	49%	0.491	S	S	.	.	H	α-helix	trans	-66.9	-28.3	176.5	73.4	0	0	0	0	114.5	A77 C78 H79 R85	A77-S81 PolarHBondContact O-N 3.22Å; C78-S81 PolarHBondContact O-OG 2.86Å; H79-S81 PolarHBondContact O-N 3.44Å; H79-S81 VanDerWaalsContact O-N 3.09Å; S81-R85 PolarHBondContact O-NE 3.49Å; S81-R85 PolarHBondContact O-NH2 3.19Å
82	K	87.3	Confident	81.2	Confident	145 Å²	145	99 Å²	99	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-106.8	-11.8	179.8	-61.8	174.2	-173.2	177.9	0	112.5	H79 Y80 G84 R85	H79-K82 CarbonylContact O-C 3.54Å; H79-K82 PolarHBondContact O-N 3.43Å; Y80-K82 VanDerWaalsContact C-N 3.33Å; Y80-K82 PolarHBondContact O-N 3.45Å; K82-G84 PolarHBondContact O-N 3.42Å; K82-R85 WeakPolarHBondContact O-CB 3.47Å; K82-R85 PolarHBondContact O-N 3.21Å
83	C	88.5	Confident	79.4	Confident	16 Å²	16	103.4 Å²	103.4	11%	0.108	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	125.9	-178	-173.8	0	0	0	0	110.6	K65 C66 H79 R85	K65-C83 HydrophobicContact CB-CB 4.45Å; K65-C83 VanDerWaalsContact CB-SG 3.54Å; K65-C83 HydrophobicContact CD-CB 3.87Å; C66-C83 VanDerWaalsContact SG-SG 3.7Å; H79-C83 VanDerWaalsContact NE2-CB 3.31Å; H79-C83 WeakPolarHBondContact NE2-CB 3.43Å; H79-C83 PolarHBondContact NE2-SG 3.03Å; H79-C83 WeakPolarHBondContact O-CB 3.34Å; H79-C83 PolarHBondContact O-N 3.23Å; C83-R85 VanDerWaalsContact C-N 3.33Å
84	G	83.5	Confident	77.3	Confident	79 Å²	79	106 Å²	106	81%	0.814	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-5.1	-175.6	0	0	0	0	0	114.9	K82 Q86	K82-G84 PolarHBondContact O-N 3.42Å; G84-Q86 PolarHBondContact O-N 3.03Å
85	R	77.3	Confident	75.6	Confident	180 Å²	180	106.1 Å²	106.1	68%	0.679	56%	0.559	S	S	*	*			trans	-71.8	118.2	171.3	-64.6	-172.9	-168.4	-164.1	-0.7	108.7	S81 K82 C83 I87	S81-R85 PolarHBondContact O-NE 3.49Å; S81-R85 PolarHBondContact O-NH2 3.19Å; K82-R85 WeakPolarHBondContact O-CB 3.47Å; K82-R85 PolarHBondContact O-N 3.21Å; C83-R85 VanDerWaalsContact C-N 3.33Å; R85-I87 PolarHBondContact O-N 3.24Å
86	Q	68	Low	73.6	Confident	173 Å²	173	110 Å²	110	81%	0.808	58%	0.581	S	S	*	*			trans	-59.2	119.6	157.8	-67.7	179.6	-12	0	0	105.9	G84 T88	G84-Q86 PolarHBondContact O-N 3.03Å; Q86-T88 PolarHBondContact O-N 2.9Å
87	I	61.3	Low	71.6	Confident	154 Å²	154	114.6 Å²	114.6	79%	0.79	62%	0.62	S	S	*	*			trans	-67.9	87.6	169.5	-59.2	-176.9	0	0	0	104.9	R85 R89	R85-I87 PolarHBondContact O-N 3.24Å; I87-R89 HydrophobicContact CG2-CG 4.3Å; I87-R89 PolarHBondContact O-N 3.4Å
88	T	61.5	Low	69.8	Low	115 Å²	115	118.3 Å²	118.3	71%	0.706	64%	0.639	S	S	*	*			trans	-62.3	99.2	156.1	56	0	0	0	0	103.3	Q86 S90	Q86-T88 PolarHBondContact O-N 2.9Å; T88-S90 PolarHBondContact O-N 3.34Å
89	R	63	Low	68.3	Low	219 Å²	219	125 Å²	125	83%	0.826	66%	0.664	S	S	*	*			trans	-52.9	106.4	162.8	-73.8	174.6	75.4	152.2	0.1	102.8	I87 V91	I87-R89 HydrophobicContact CG2-CG 4.3Å; I87-R89 PolarHBondContact O-N 3.4Å; R89-V91 PolarHBondContact O-N 3.24Å
90	S	61	Low	66.6	Low	104 Å²	104	129.1 Å²	129.1	73%	0.727	69%	0.688	S	S	*	*			trans	-55.5	99.4	168.7	177.4	0	0	0	0	103.7	T88 R92	T88-S90 PolarHBondContact O-N 3.34Å; S90-R92 PolarHBondContact O-N 3.47Å
91	V	62.8	Low	65	Low	118 Å²	118	136.5 Å²	136.5	72%	0.715	72%	0.715	S	S	*	*			trans	-54.1	115.9	163	175.7	0	0	0	0	102.1	R89 Q93	R89-V91 PolarHBondContact O-N 3.24Å; V91-Q93 PolarHBondContact O-N 3.46Å
92	R	59.4	Low	63.6	Low	235 Å²	235	137.6 Å²	137.6	89%	0.887	72%	0.721	S	S	*	*			trans	-60.3	100.1	173.5	-72.9	179.5	177.8	176	-1.7	104.4	S90 P94	S90-R92 PolarHBondContact O-N 3.47Å; R92-P94 WeakPolarHBondContact O-CD 3.41Å
93	Q	54.1	Low	62.8	Low	159 Å²	159	139.6 Å²	139.6	74%	0.743	73%	0.732	S	S	*	*			trans	-63.1	127.2	166.8	-74.7	-177.8	-5.8	0	0	105.6	V91	V91-Q93 PolarHBondContact O-N 3.46Å
94	P	50.5	Low	62.6	Low	103 Å²	103	141.3 Å²	141.3	67%	0.669	74%	0.742	S	S	*	*			trans	-53.3	150.4	169.6	-21.2	31.7	0	0	0	109.3	R92 V96	R92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-V96 PolarHBondContact O-N 3.04Å
95	P	57.2	Low	62.8	Low	136 Å²	136	140.3 Å²	140.3	88%	0.883	72%	0.72	S	S	*	*			trans	-54.9	109.4	177.4	-19.3	30.4	0	0	0	109.1	A97	P95-A97 PolarHBondContact O-N 3.08Å
96	V	53	Low	63.5	Low	111 Å²	111	135 Å²	135	67%	0.673	71%	0.707	S	S	*	*			trans	-75.8	118	170.6	-151.4	0	0	0	0	105	P94 V98	P94-V96 PolarHBondContact O-N 3.04Å; V96-V98 HydrophobicContact CB-CG2 4.17Å; V96-V98 HydrophobicContact CG1-CG2 4.36Å; V96-V98 PolarHBondContact O-N 3.38Å
97	A	53.1	Low	64.5	Low	98 Å²	98	126.8 Å²	126.8	81%	0.81	67%	0.669	S	S	*	*			trans	-68.9	85.3	173.1	0	0	0	0	0	108.1	P95	P95-A97 PolarHBondContact O-N 3.08Å
98	V	56.9	Low	65.9	Low	107 Å²	107	125.1 Å²	125.1	65%	0.648	67%	0.667	S	S	*	*			trans	-91.4	104.8	170.1	-171.4	0	0	0	0	106.4	V96 D100	V96-V98 HydrophobicContact CB-CG2 4.17Å; V96-V98 HydrophobicContact CG1-CG2 4.36Å; V96-V98 PolarHBondContact O-N 3.38Å; V98-D100 HydrophobicContact CG1-CB 3.95Å; V98-D100 PolarHBondContact O-N 2.88Å
99	E	62.1	Low	67.3	Low	199 Å²	199	122.4 Å²	122.4	93%	0.93	65%	0.648	S	S	*	*			trans	-75.5	39.5	172.3	-65.9	-166.9	141	0	0	112.3
100	D	56	Low	68.7	Low	129 Å²	129	114.8 Å²	114.8	69%	0.69	63%	0.627	S	S	*	*	S	Bend	trans	-117.8	107.9	175.3	-153.2	3.8	0	0	0	109.2	V98	V98-D100 HydrophobicContact CG1-CB 3.95Å; V98-D100 PolarHBondContact O-N 2.88Å
101	R	57.9	Low	70.1	Confident	223 Å²	223	111.8 Å²	111.8	84%	0.842	61%	0.613	S	S	*	*			trans	-15.9	97.3	179.1	-166.7	174.5	-146.5	156.8	4.8	112.3	H103	R101-H103 PolarHBondContact O-N 2.95Å
102	P	60.6	Low	71.5	Confident	87 Å²	87	110.1 Å²	110.1	57%	0.565	60%	0.6	S	S	*	*			trans	-57.8	131.8	-175.7	20.6	-29.8	0	0	0	107.7	T104	P102-T104 HydrophobicContact CG-CG2 4.36Å; P102-T104 WeakPolarHBondContact O-CG2 3.46Å; P102-T104 PolarHBondContact O-N 3.15Å
103	H	71.5	Confident	73	Confident	186 Å²	186	105.3 Å²	105.3	86%	0.861	59%	0.588	S	S	*	*			trans	-57.4	85.6	172	-64.9	-65.9	0	0	0	108.7	R101	R101-H103 PolarHBondContact O-N 2.95Å
104	T	83.1	Confident	74.7	Confident	52 Å²	52	99.7 Å²	99.7	32%	0.319	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-76.3	135.1	178.3	52.1	0	0	0	0	107.8	P102 Q113 F114	P102-T104 HydrophobicContact CG-CG2 4.36Å; P102-T104 WeakPolarHBondContact O-CG2 3.46Å; P102-T104 PolarHBondContact O-N 3.15Å; T104-Q113 HydrophobicContact CG2-CB 4.46Å; T104-Q113 PolarHBondContact OG1-OE1 3.39Å; T104-Q113 VanDerWaalsContact OG1-OE1 3.11Å; T104-F114 CarbonylContact C-O 3.1Å; T104-F114 VanDerWaalsContact CA-O 3.29Å; T104-F114 WeakPolarHBondContact CA-O 3.49Å
105	V	88	Confident	76.5	Confident	58 Å²	58	100.2 Å²	100.2	35%	0.352	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.6	121.8	172.8	-159.9	0	0	0	0	106.6	F114 L120	V105-F114 PolarHBondContact N-O 2.89Å; V105-F114 PolarHBondContact O-N 3.09Å; V105-L120 HydrophobicContact CB-CD2 4.06Å; V105-L120 HydrophobicContact CG1-CD2 3.42Å; V105-L120 VanDerWaalsContact CG1-CD2 3.42Å
106	V	91.4	Very high	78.1	Confident	68 Å²	68	97.2 Å²	97.2	41%	0.412	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.2	-172.8	-171.7	0	0	0	0	110.3	T108 G111 D112 Q113	V106-T108 PolarHBondContact O-N 2.93Å; V106-G111 WeakPolarHBondContact CG1-O 3.35Å; V106-D112 CarbonylContact C-O 3.57Å; V106-D112 WeakPolarHBondContact CA-O 3.35Å; V106-Q113 HydrophobicContact CG1-CG 4.49Å; V106-Q113 HydrophobicContact CG2-CG 4.07Å
107	C	90.7	Very high	79.9	Confident	1 Å²	1	95.2 Å²	95.2	1%	0.007	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-70.9	124.6	170.3	-173.9	0	0	0	0	110.4	D109 C110 G111 D112 F114 L120 H123	C107-D109 PolarHBondContact O-N 3.29Å; C107-D109 PolarHBondContact SG-N 2.89Å; C107-D109 VanDerWaalsContact SG-N 3.44Å; C107-C110 VanDerWaalsContact CB-SG 3.57Å; C107-G111 WeakPolarHBondContact O-CA 3.44Å; C107-G111 PolarHBondContact O-N 3.39Å; C107-D112 HydrophobicContact CB-CB 4.43Å; C107-D112 PolarHBondContact N-O 3.33Å; C107-F114 HydrophobicContact CB-CE2 4.12Å; C107-L120 VanDerWaalsContact CA-CD1 3.41Å; C107-L120 HydrophobicContact CB-CD1 3.47Å; C107-L120 VanDerWaalsContact CB-CD1 3.47Å; C107-H123 PolarHBondContact SG-NE2 2.87Å; C107-H123 VanDerWaalsContact SG-NE2 3.38Å
108	T	90.9	Very high	81.7	Confident	120 Å²	120	98.4 Å²	98.4	74%	0.736	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-20.2	176.3	51.9	0	0	0	0	112.9	V106	V106-T108 PolarHBondContact O-N 2.93Å
109	D	90.3	Very high	83.4	Confident	58 Å²	58	94.4 Å²	94.4	31%	0.31	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-26.5	-173.2	-53.4	-44.2	0	0	0	112.4	C107 R124 H128	C107-D109 PolarHBondContact O-N 3.29Å; C107-D109 PolarHBondContact SG-N 2.89Å; C107-D109 VanDerWaalsContact SG-N 3.44Å; D109-R124 IonicContact OD1-NH2 2.68Å; D109-R124 IonicContact OD2-CZ 2.77Å; D109-R124 IonicContact OD2-NE 3.89Å; D109-R124 PolarHBondContact OD2-NE 3.18Å; D109-R124 IonicContact OD2-NH2 2.99Å; D109-R124 PolarHBondContact OD2-NH2 2.76Å; D109-R124 VanDerWaalsContact OD2-NH2 3.13Å; D109-H128 HydrophobicContact CB-CB 4.21Å; D109-H128 VanDerWaalsContact CB-CG 3.48Å; D109-H128 IonicContact OD2-CD2 3.84Å; D109-H128 IonicContact OD2-CG 3.91Å
110	C	92.5	Very high	84.8	Confident	58 Å²	58	86 Å²	86	39%	0.392	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.8	-12.2	178.1	66.7	0	0	0	0	115.8	C107 D112 H123 H128	C107-C110 VanDerWaalsContact CB-SG 3.57Å; C110-D112 VanDerWaalsContact SG-CB 3.56Å; C110-D112 PolarHBondContact SG-N 3.3Å; C110-D112 VanDerWaalsContact SG-N 3.38Å; C110-D112 PolarHBondContact SG-OD2 3.49Å; C110-H123 VanDerWaalsContact SG-CE1 3.54Å; C110-H123 PolarHBondContact SG-NE2 3.38Å; C110-H128 WeakPolarHBondContact CB-NE2 3.27Å; C110-H128 PolarHBondContact SG-NE2 2.86Å
111	G	90	Very high	86.6	Confident	42 Å²	42	83.9 Å²	83.9	43%	0.433	46%	0.455	S	S	.	.			trans	84	0.6	-176.6	0	0	0	0	0	115.9	V106 C107 Q113	V106-G111 WeakPolarHBondContact CG1-O 3.35Å; C107-G111 WeakPolarHBondContact O-CA 3.44Å; C107-G111 PolarHBondContact O-N 3.39Å; G111-Q113 PolarHBondContact O-N 2.88Å
112	D	92.3	Very high	88.2	Confident	82 Å²	82	76.9 Å²	76.9	44%	0.439	43%	0.434	S	S	.	.			trans	-61.6	136.2	177.6	-74.3	-31	0	0	0	111.4	V106 C107 C110 F114 H123	V106-D112 CarbonylContact C-O 3.57Å; V106-D112 WeakPolarHBondContact CA-O 3.35Å; C107-D112 HydrophobicContact CB-CB 4.43Å; C107-D112 PolarHBondContact N-O 3.33Å; C110-D112 VanDerWaalsContact SG-CB 3.56Å; C110-D112 PolarHBondContact SG-N 3.3Å; C110-D112 VanDerWaalsContact SG-N 3.38Å; C110-D112 PolarHBondContact SG-OD2 3.49Å; D112-F114 HydrophobicContact CB-CE2 3.54Å; D112-F114 HydrophobicContact CB-CZ 3.69Å; D112-F114 WeakPolarHBondContact O-CD2 3.21Å; D112-F114 VanDerWaalsContact O-CE2 3.26Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; D112-H123 IonicContact OD2-CE1 3.15Å; D112-H123 PolarHBondContact OD2-CE1 2.83Å; D112-H123 IonicContact OD2-ND1 3.1Å; D112-H123 IonicContact OD2-NE2 2.78Å
113	Q	90.8	Very high	89.8	Confident	135 Å²	135	74.2 Å²	74.2	63%	0.631	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	134	-178.3	-56.5	-169.1	26.7	0	0	111.3	T104 V106 G111	T104-Q113 HydrophobicContact CG2-CB 4.46Å; T104-Q113 PolarHBondContact OG1-OE1 3.39Å; T104-Q113 VanDerWaalsContact OG1-OE1 3.11Å; V106-Q113 HydrophobicContact CG1-CG 4.49Å; V106-Q113 HydrophobicContact CG2-CG 4.07Å; G111-Q113 PolarHBondContact O-N 2.88Å
114	F	89.5	Confident	90.8	Very high	41 Å²	41	67.4 Å²	67.4	18%	0.18	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143	179.7	-60.5	-88.7	0	0	0	110.9	T104 V105 C107 D112 T116 L120 H123	T104-F114 CarbonylContact C-O 3.1Å; T104-F114 VanDerWaalsContact CA-O 3.29Å; T104-F114 WeakPolarHBondContact CA-O 3.49Å; V105-F114 PolarHBondContact N-O 2.89Å; V105-F114 PolarHBondContact O-N 3.09Å; C107-F114 HydrophobicContact CB-CE2 4.12Å; D112-F114 HydrophobicContact CB-CE2 3.54Å; D112-F114 HydrophobicContact CB-CZ 3.69Å; D112-F114 WeakPolarHBondContact O-CD2 3.21Å; D112-F114 VanDerWaalsContact O-CE2 3.26Å; D112-F114 WeakPolarHBondContact O-CE2 3.41Å; F114-T116 PolarHBondContact O-N 3.48Å; F114-L120 HydrophobicContact CB-CB 4.05Å; F114-L120 HydrophobicContact CD2-CB 3.73Å; F114-L120 HydrophobicContact CD2-CD1 3.58Å; F114-L120 HydrophobicContact CD2-CG 4.23Å; F114-L120 HydrophobicContact CE2-CB 4.49Å; F114-L120 HydrophobicContact CE2-CD1 3.68Å; F114-L120 HydrophobicContact CG-CB 3.93Å; F114-H123 HydrophobicContact CD1-CB 4.47Å; F114-H123 HydrophobicContact CE1-CB 3.53Å; F114-H123 AromaticContact CE1-CG 3.93Å; F114-H123 HydrophobicContact CE2-CB 3.99Å; F114-H123 AromaticContact CE2-CD2 3.76Å; F114-H123 AromaticContact CE2-CG 3.77Å; F114-H123 HydrophobicContact CZ-CB 3.26Å; F114-H123 AromaticContact CZ-CD2 3.64Å; F114-H123 AromaticContact CZ-CG 3.16Å; F114-H123 AromaticContact CZ-ND1 3.49Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.24Å
115	T	89.6	Confident	91.2	Very high	113 Å²	113	70.6 Å²	70.6	69%	0.693	39%	0.387	S	S	*	.	S	Bend	trans	-76.1	-11.1	176.1	55.2	0	0	0	0	113.4
116	T	89.7	Confident	91.4	Very high	74 Å²	74	72.5 Å²	72.5	45%	0.454	40%	0.395	S	S	.	.	S	Bend	trans	-144	147	179	64.6	0	0	0	0	111.7	F114 R118 G119 L120	F114-T116 PolarHBondContact O-N 3.48Å; T116-R118 PolarHBondContact O-N 3.37Å; T116-G119 PolarHBondContact O-N 3.26Å; T116-G119 VanDerWaalsContact O-N 3.12Å; T116-G119 PolarHBondContact OG1-N 2.79Å; T116-L120 PolarHBondContact O-N 3.32Å; T116-L120 VanDerWaalsContact O-N 3.13Å
117	A	90.2	Very high	91.4	Very high	68 Å²	68	72.1 Å²	72.1	56%	0.562	40%	0.399	S	S	*	.	H	α-helix	trans	-60.1	-32.6	173.3	0	0	0	0	0	112.7	L120 Q121	A117-L120 PolarHBondContact O-N 2.89Å; A117-Q121 WeakPolarHBondContact O-CB 3.22Å; A117-Q121 PolarHBondContact O-N 2.99Å
118	R	91.3	Very high	91.5	Very high	166 Å²	166	73.4 Å²	73.4	63%	0.626	41%	0.405	S	S	*	.	H	α-helix	trans	-66.9	-39	175.6	-177.9	56.5	177	-169.7	-3	112	T116 Q121 L122	T116-R118 PolarHBondContact O-N 3.37Å; R118-Q121 VanDerWaalsContact NH1-OE1 3.11Å; R118-Q121 PolarHBondContact O-N 2.68Å; R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.43Å
119	G	92.7	Very high	91.5	Very high	23 Å²	23	72.3 Å²	72.3	24%	0.237	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-49.4	173.8	0	0	0	0	0	111.7	T116 Q121 L122 H123	T116-G119 PolarHBondContact O-N 3.26Å; T116-G119 VanDerWaalsContact O-N 3.12Å; T116-G119 PolarHBondContact OG1-N 2.79Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.93Å; G119-L122 PolarHBondContact O-N 3.33Å; G119-H123 PolarHBondContact O-N 3.4Å
120	L	92.5	Very high	91.4	Very high	22 Å²	22	77 Å²	77	12%	0.115	41%	0.413	C	S	.	.	H	α-helix	trans	-58.3	-45.6	175.2	172.5	59.9	0	0	0	111.9	V105 C107 F114 T116 A117 L122 H123 R124	V105-L120 HydrophobicContact CB-CD2 4.06Å; V105-L120 HydrophobicContact CG1-CD2 3.42Å; V105-L120 VanDerWaalsContact CG1-CD2 3.42Å; C107-L120 VanDerWaalsContact CA-CD1 3.41Å; C107-L120 HydrophobicContact CB-CD1 3.47Å; C107-L120 VanDerWaalsContact CB-CD1 3.47Å; F114-L120 HydrophobicContact CB-CB 4.05Å; F114-L120 HydrophobicContact CD2-CB 3.73Å; F114-L120 HydrophobicContact CD2-CD1 3.58Å; F114-L120 HydrophobicContact CD2-CG 4.23Å; F114-L120 HydrophobicContact CE2-CB 4.49Å; F114-L120 HydrophobicContact CE2-CD1 3.68Å; F114-L120 HydrophobicContact CG-CB 3.93Å; T116-L120 PolarHBondContact O-N 3.32Å; T116-L120 VanDerWaalsContact O-N 3.13Å; A117-L120 PolarHBondContact O-N 2.89Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.78Å; L120-H123 WeakPolarHBondContact O-CB 3.3Å; L120-H123 PolarHBondContact O-N 3.29Å; L120-R124 HydrophobicContact CD1-CG 3.93Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 PolarHBondContact O-N 3.2Å
121	Q	92.3	Very high	91.2	Very high	84 Å²	84	78 Å²	78	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-61.3	-40.5	179.1	-170.1	-176.9	33.2	0	0	112	A117 R118 G119 R125 F132	A117-Q121 WeakPolarHBondContact O-CB 3.22Å; A117-Q121 PolarHBondContact O-N 2.99Å; R118-Q121 VanDerWaalsContact NH1-OE1 3.11Å; R118-Q121 PolarHBondContact O-N 2.68Å; G119-Q121 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 2.93Å; Q121-R125 WeakPolarHBondContact O-CB 3.47Å; Q121-R125 PolarHBondContact O-N 2.85Å; Q121-F132 HydrophobicContact CG-CE2 3.94Å; Q121-F132 HydrophobicContact CG-CZ 4.45Å
122	L	93.1	Very high	91.1	Very high	77 Å²	77	77 Å²	77	40%	0.403	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-41.6	176.6	177.8	61.4	0	0	0	111.5	R118 G119 L120 R125 N126	R118-L122 WeakPolarHBondContact O-CB 3.3Å; R118-L122 PolarHBondContact O-N 3.43Å; G119-L122 PolarHBondContact O-N 3.33Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 2.78Å; L122-R125 PolarHBondContact O-N 3.1Å; L122-N126 PolarHBondContact O-N 3.17Å
123	H	93.1	Very high	90.8	Very high	30 Å²	30	77.6 Å²	77.6	14%	0.139	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-55	173.7	161.6	88.7	0	0	0	111	C107 C110 D112 F114 G119 L120 R125 N126 A127 H128	C107-H123 PolarHBondContact SG-NE2 2.87Å; C107-H123 VanDerWaalsContact SG-NE2 3.38Å; C110-H123 VanDerWaalsContact SG-CE1 3.54Å; C110-H123 PolarHBondContact SG-NE2 3.38Å; D112-H123 IonicContact OD2-CE1 3.15Å; D112-H123 PolarHBondContact OD2-CE1 2.83Å; D112-H123 IonicContact OD2-ND1 3.1Å; D112-H123 IonicContact OD2-NE2 2.78Å; F114-H123 HydrophobicContact CD1-CB 4.47Å; F114-H123 HydrophobicContact CE1-CB 3.53Å; F114-H123 AromaticContact CE1-CG 3.93Å; F114-H123 HydrophobicContact CE2-CB 3.99Å; F114-H123 AromaticContact CE2-CD2 3.76Å; F114-H123 AromaticContact CE2-CG 3.77Å; F114-H123 HydrophobicContact CZ-CB 3.26Å; F114-H123 AromaticContact CZ-CD2 3.64Å; F114-H123 AromaticContact CZ-CG 3.16Å; F114-H123 AromaticContact CZ-ND1 3.49Å; F114-H123 WeakPolarHBondContact CZ-ND1 3.24Å; G119-H123 PolarHBondContact O-N 3.4Å; L120-H123 WeakPolarHBondContact O-CB 3.3Å; L120-H123 PolarHBondContact O-N 3.29Å; H123-R125 VanDerWaalsContact C-N 3.25Å; H123-R125 PolarHBondContact O-N 3.26Å; H123-N126 PolarHBondContact O-N 3.15Å; H123-A127 WeakPolarHBondContact O-CB 3.11Å; H123-A127 PolarHBondContact O-N 3.31Å; H123-H128 AromaticContact NE2-CD2 3.41Å; H123-H128 PolarHBondContact NE2-CD2 3.41Å; H123-H128 AromaticContact NE2-NE2 3.45Å; H123-H128 PolarHBondContact NE2-NE2 2.96Å
124	R	92.7	Very high	90.6	Very high	43 Å²	43	74.7 Å²	74.7	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-56.8	-40.5	-179.8	-69.4	-173.6	75.2	-147.6	-4.7	111.7	D109 L120 N126 H128 F132 D135	D109-R124 IonicContact OD1-NH2 2.68Å; D109-R124 IonicContact OD2-CZ 2.77Å; D109-R124 IonicContact OD2-NE 3.89Å; D109-R124 PolarHBondContact OD2-NE 3.18Å; D109-R124 IonicContact OD2-NH2 2.99Å; D109-R124 PolarHBondContact OD2-NH2 2.76Å; D109-R124 VanDerWaalsContact OD2-NH2 3.13Å; L120-R124 HydrophobicContact CD1-CG 3.93Å; L120-R124 HydrophobicContact CG-CG 4.45Å; L120-R124 PolarHBondContact O-N 3.2Å; R124-N126 PolarHBondContact O-N 2.87Å; R124-H128 CarbonylContact O-C 3.6Å; R124-H128 WeakPolarHBondContact O-CA 3.44Å; R124-H128 PolarHBondContact O-N 3.17Å; R124-H128 VanDerWaalsContact O-O 3.14Å; R124-F132 HydrophobicContact CB-CB 4.41Å; R124-F132 HydrophobicContact CB-CD2 3.81Å; R124-F132 WeakPolarHBondContact O-CB 3.44Å; R124-D135 IonicContact CZ-OD2 3.98Å; R124-D135 VanDerWaalsContact CZ-OD2 3.29Å; R124-D135 IonicContact NH1-OD2 3.83Å; R124-D135 PolarHBondContact NH1-OD2 2.94Å; R124-D135 IonicContact NH2-OD2 3.95Å; R124-D135 PolarHBondContact NH2-OD2 3.37Å
125	R	91.1	Very high	90.2	Very high	120 Å²	120	77.6 Å²	77.6	45%	0.453	42%	0.416	S	S	.	.	H	α-helix	trans	-60.1	-29.7	176.9	-173.5	-178	71.4	174.8	6.5	113.8	Q121 L122 H123 I129 F132	Q121-R125 WeakPolarHBondContact O-CB 3.47Å; Q121-R125 PolarHBondContact O-N 2.85Å; L122-R125 PolarHBondContact O-N 3.1Å; H123-R125 VanDerWaalsContact C-N 3.25Å; H123-R125 PolarHBondContact O-N 3.26Å; R125-I129 WeakPolarHBondContact O-CG1 3.48Å; R125-F132 HydrophobicContact CB-CD1 4.1Å; R125-F132 HydrophobicContact CB-CD2 4.31Å; R125-F132 HydrophobicContact CB-CE1 3.92Å; R125-F132 HydrophobicContact CB-CE2 4.13Å; R125-F132 HydrophobicContact CB-CG 4.28Å; R125-F132 HydrophobicContact CB-CZ 3.94Å; R125-F132 HydrophobicContact CG-CD1 4.11Å; R125-F132 HydrophobicContact CG-CE1 3.77Å; R125-F132 HydrophobicContact CG-CZ 4.15Å
126	N	93.1	Very high	89.5	Confident	98 Å²	98	79.8 Å²	79.8	52%	0.524	41%	0.412	S	S	.	.	H	α-helix	trans	-105.7	-35.8	-173.3	-67.1	-6.1	0	0	0	113.1	L122 H123 R124	L122-N126 PolarHBondContact O-N 3.17Å; H123-N126 PolarHBondContact O-N 3.15Å; R124-N126 PolarHBondContact O-N 2.87Å
127	A	91.4	Very high	88.6	Confident	59 Å²	59	81.3 Å²	81.3	49%	0.488	42%	0.423	S	S	.	.	H	α-helix	trans	-95.4	-29	-177.1	0	0	0	0	0	113	H123	H123-A127 WeakPolarHBondContact O-CB 3.11Å; H123-A127 PolarHBondContact O-N 3.31Å
128	H	92.4	Very high	87.7	Confident	28 Å²	28	89.1 Å²	89.1	13%	0.13	44%	0.438	C	S	.	.	S	Bend	trans	-125.8	53.3	-177.2	-61	-65	0	0	0	110.6	D109 C110 H123 R124 E130 Q131 F132	D109-H128 HydrophobicContact CB-CB 4.21Å; D109-H128 VanDerWaalsContact CB-CG 3.48Å; D109-H128 IonicContact OD2-CD2 3.84Å; D109-H128 IonicContact OD2-CG 3.91Å; C110-H128 WeakPolarHBondContact CB-NE2 3.27Å; C110-H128 PolarHBondContact SG-NE2 2.86Å; H123-H128 AromaticContact NE2-CD2 3.41Å; H123-H128 PolarHBondContact NE2-CD2 3.41Å; H123-H128 AromaticContact NE2-NE2 3.45Å; H123-H128 PolarHBondContact NE2-NE2 2.96Å; R124-H128 CarbonylContact O-C 3.6Å; R124-H128 WeakPolarHBondContact O-CA 3.44Å; R124-H128 PolarHBondContact O-N 3.17Å; R124-H128 VanDerWaalsContact O-O 3.14Å; H128-E130 VanDerWaalsContact C-N 3.27Å; H128-E130 PolarHBondContact O-N 3.18Å; H128-Q131 HydrophobicContact CB-CB 4.24Å; H128-Q131 PolarHBondContact O-N 3.1Å; H128-Q131 PolarHBondContact O-OE1 2.87Å; H128-F132 WeakPolarHBondContact O-CB 3.44Å; H128-F132 PolarHBondContact O-N 3.27Å
129	I	90.7	Very high	86.7	Confident	97 Å²	97	89.3 Å²	89.3	50%	0.497	45%	0.446	S	S	.	.	H	α-helix	trans	-55.6	-42.5	-170.6	-57.9	170.9	0	0	0	111.4	R125 N133	R125-I129 WeakPolarHBondContact O-CG1 3.48Å; I129-N133 VanDerWaalsContact O-CB 3.22Å; I129-N133 WeakPolarHBondContact O-CB 3.23Å; I129-N133 PolarHBondContact O-N 3.41Å; I129-N133 PolarHBondContact O-ND2 3.06Å
130	E	89.4	Confident	85.9	Confident	156 Å²	156	97.8 Å²	97.8	73%	0.729	48%	0.476	S	S	*	.	H	α-helix	trans	-69.6	-48.9	-178.6	-65	-175.9	170.2	0	0	111.9	H128 N133 A134	H128-E130 VanDerWaalsContact C-N 3.27Å; H128-E130 PolarHBondContact O-N 3.18Å; E130-N133 PolarHBondContact O-N 3.25Å; E130-A134 WeakPolarHBondContact O-CB 3.25Å; E130-A134 PolarHBondContact O-N 3.11Å
131	Q	87	Confident	85.1	Confident	81 Å²	81	105.5 Å²	105.5	38%	0.379	51%	0.509	S	S	.	.	H	α-helix	trans	-62.8	-44.7	177.7	-62.1	76.9	9.8	0	0	110.9	H128 N133 A134 D135	H128-Q131 HydrophobicContact CB-CB 4.24Å; H128-Q131 PolarHBondContact O-N 3.1Å; H128-Q131 PolarHBondContact O-OE1 2.87Å; Q131-N133 VanDerWaalsContact C-N 3.28Å; Q131-N133 PolarHBondContact O-N 2.98Å; Q131-A134 PolarHBondContact O-N 3.25Å; Q131-D135 PolarHBondContact O-N 3.02Å; Q131-D135 VanDerWaalsContact O-N 3.11Å
132	F	87.9	Confident	84.6	Confident	19 Å²	19	105.3 Å²	105.3	8%	0.083	52%	0.522	C	S	.	.	H	α-helix	trans	-60.9	-37.2	176.2	-179.2	-94.7	0	0	0	112.5	Q121 R124 R125 H128	Q121-F132 HydrophobicContact CG-CE2 3.94Å; Q121-F132 HydrophobicContact CG-CZ 4.45Å; R124-F132 HydrophobicContact CB-CB 4.41Å; R124-F132 HydrophobicContact CB-CD2 3.81Å; R124-F132 WeakPolarHBondContact O-CB 3.44Å; R125-F132 HydrophobicContact CB-CD1 4.1Å; R125-F132 HydrophobicContact CB-CD2 4.31Å; R125-F132 HydrophobicContact CB-CE1 3.92Å; R125-F132 HydrophobicContact CB-CE2 4.13Å; R125-F132 HydrophobicContact CB-CG 4.28Å; R125-F132 HydrophobicContact CB-CZ 3.94Å; R125-F132 HydrophobicContact CG-CD1 4.11Å; R125-F132 HydrophobicContact CG-CE1 3.77Å; R125-F132 HydrophobicContact CG-CZ 4.15Å; H128-F132 WeakPolarHBondContact O-CB 3.44Å; H128-F132 PolarHBondContact O-N 3.27Å
133	N	87	Confident	84.4	Confident	95 Å²	95	110.7 Å²	110.7	51%	0.508	54%	0.536	S	S	.	.	H	α-helix	trans	-76.4	-33	175.7	-73.9	-26.9	0	0	0	112.4	I129 E130 Q131 R136	I129-N133 VanDerWaalsContact O-CB 3.22Å; I129-N133 WeakPolarHBondContact O-CB 3.23Å; I129-N133 PolarHBondContact O-N 3.41Å; I129-N133 PolarHBondContact O-ND2 3.06Å; E130-N133 PolarHBondContact O-N 3.25Å; Q131-N133 VanDerWaalsContact C-N 3.28Å; Q131-N133 PolarHBondContact O-N 2.98Å; N133-R136 CarbonylContact O-C 3.48Å; N133-R136 PolarHBondContact O-N 3.21Å; N133-R136 VanDerWaalsContact O-N 3.15Å; N133-R136 VanDerWaalsContact O-O 3.11Å
134	A	85.3	Confident	84.2	Confident	75 Å²	75	110 Å²	110	62%	0.62	53%	0.533	S	S	*	.	H	α-helix	trans	-63.6	-41.2	177.3	0	0	0	0	0	111.9	E130 Q131 R136	E130-A134 WeakPolarHBondContact O-CB 3.25Å; E130-A134 PolarHBondContact O-N 3.11Å; Q131-A134 PolarHBondContact O-N 3.25Å; A134-R136 PolarHBondContact O-N 3.25Å; A134-R136 VanDerWaalsContact O-N 3.13Å
135	D	81.2	Confident	84.1	Confident	101 Å²	101	110.6 Å²	110.6	54%	0.54	54%	0.543	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.1	175.1	-72.6	-11.8	0	0	0	113.4	R124 Q131 P137	R124-D135 IonicContact CZ-OD2 3.98Å; R124-D135 VanDerWaalsContact CZ-OD2 3.29Å; R124-D135 IonicContact NH1-OD2 3.83Å; R124-D135 PolarHBondContact NH1-OD2 2.94Å; R124-D135 IonicContact NH2-OD2 3.95Å; R124-D135 PolarHBondContact NH2-OD2 3.37Å; Q131-D135 PolarHBondContact O-N 3.02Å; Q131-D135 VanDerWaalsContact O-N 3.11Å; D135-P137 VanDerWaalsContact O-CD 3.31Å; D135-P137 WeakPolarHBondContact O-CD 3.28Å
136	R	75.5	Confident	84	Confident	159 Å²	159	112.6 Å²	112.6	60%	0.6	56%	0.558	S	S	*	*	S	Bend	trans	-116.9	80	-178.9	-60.2	-173.7	89.2	-161.4	5.7	109.4	N133 A134 R138	N133-R136 CarbonylContact O-C 3.48Å; N133-R136 PolarHBondContact O-N 3.21Å; N133-R136 VanDerWaalsContact O-N 3.15Å; N133-R136 VanDerWaalsContact O-O 3.11Å; A134-R136 PolarHBondContact O-N 3.25Å; A134-R136 VanDerWaalsContact O-N 3.13Å; R136-R138 PolarHBondContact O-N 3.32Å
137	P	70.9	Confident	83.8	Confident	107 Å²	107	113.2 Å²	113.2	70%	0.695	56%	0.556	S	S	*	*			trans	-53	124.5	173.8	22.2	-31.8	0	0	0	108.3	D135 E139	D135-P137 VanDerWaalsContact O-CD 3.31Å; D135-P137 WeakPolarHBondContact O-CD 3.28Å; P137-E139 PolarHBondContact O-N 3.49Å
138	R	71.3	Confident	83.9	Confident	232 Å²	232	111.2 Å²	111.2	88%	0.875	54%	0.537	S	S	*	.			trans	-60.8	97.4	-178.3	-74.9	179.9	152.8	-153.3	-4.1	108.9	R136 K140	R136-R138 PolarHBondContact O-N 3.32Å; R138-K140 PolarHBondContact O-N 3.33Å
139	E	69.7	Low	83.9	Confident	169 Å²	169	111.2 Å²	111.2	79%	0.79	54%	0.538	S	S	*	.			trans	-59.4	100.8	168.4	-70.3	-179.4	175.9	0	0	108.1	P137 K141	P137-E139 PolarHBondContact O-N 3.49Å; E139-K141 VanDerWaalsContact C-N 3.26Å; E139-K141 PolarHBondContact O-N 3Å
140	K	75.5	Confident	84	Confident	201 Å²	201	108.9 Å²	108.9	87%	0.874	53%	0.527	S	S	*	.			trans	-71.6	88.1	173.5	-69.5	179.4	-175.6	172.2	0	107.4	R138 A142	R138-K140 PolarHBondContact O-N 3.33Å; K140-A142 PolarHBondContact O-N 3.5Å
141	K	75.8	Confident	84.1	Confident	185 Å²	185	101.6 Å²	101.6	80%	0.804	49%	0.493	S	S	*	.			trans	-53.6	125.6	169.9	-67.1	-175.6	179.7	-178.4	0	108.3	E139 R143	E139-K141 VanDerWaalsContact C-N 3.26Å; E139-K141 PolarHBondContact O-N 3Å; K141-R143 PolarHBondContact O-N 2.84Å
142	A	82.9	Confident	84.5	Confident	80 Å²	80	98 Å²	98	66%	0.661	48%	0.476	S	S	*	.			trans	-55.6	132.4	178.7	0	0	0	0	0	109.3	K140 W144	K140-A142 PolarHBondContact O-N 3.5Å; A142-W144 WeakPolarHBondContact CB-O 3.48Å; A142-W144 PolarHBondContact O-N 3.39Å; A142-W144 VanDerWaalsContact O-N 3.15Å
143	R	88.2	Confident	84.8	Confident	189 Å²	189	97.2 Å²	97.2	71%	0.713	47%	0.474	S	S	*	.	S	Bend	trans	-60.2	-26.8	-179.4	-177.3	172.9	-71	-179.1	-2.6	112.4	K141 R182 M186	K141-R143 PolarHBondContact O-N 2.84Å; R143-R182 PolarHBondContact O-NH2 3.36Å; R143-M186 HydrophobicContact CG-CE 3.87Å
144	W	90	Very high	85	Confident	17 Å²	17	95.9 Å²	95.9	6%	0.064	46%	0.463	C	S	.	.	S	Bend	trans	-117.3	127.7	175.8	-70.3	74.6	0	0	0	108.9	A142 E148 V149 L152 L174 R182 M186 I187 Q190	A142-W144 WeakPolarHBondContact CB-O 3.48Å; A142-W144 PolarHBondContact O-N 3.39Å; A142-W144 VanDerWaalsContact O-N 3.15Å; W144-E148 HydrophobicContact CE3-CB 3.56Å; W144-E148 HydrophobicContact CZ3-CB 4.06Å; W144-V149 HydrophobicContact CB-CG2 3.69Å; W144-V149 HydrophobicContact CG-CG2 4.46Å; W144-L152 HydrophobicContact CH2-CD2 3.77Å; W144-L152 HydrophobicContact CZ3-CB 4.13Å; W144-L152 HydrophobicContact CZ3-CD2 3.85Å; W144-L174 HydrophobicContact CH2-CD2 4.3Å; W144-L174 HydrophobicContact CZ3-CD2 4.26Å; W144-R182 HydrophobicContact CH2-CB 4.06Å; W144-R182 HydrophobicContact CH2-CG 3.79Å; W144-R182 HydrophobicContact CZ2-CB 4.31Å; W144-R182 HydrophobicContact CZ2-CG 4.15Å; W144-R182 HydrophobicContact CZ3-CG 4.3Å; W144-M186 HydrophobicContact CZ2-CB 4.22Å; W144-I187 HydrophobicContact CH2-CG1 4.02Å; W144-I187 HydrophobicContact CZ2-CG1 4.35Å; W144-Q190 HydrophobicContact CD2-CB 4.2Å; W144-Q190 HydrophobicContact CD2-CG 3.8Å; W144-Q190 HydrophobicContact CE3-CG 4.05Å; W144-Q190 HydrophobicContact CG-CG 4.21Å; W144-Q190 HydrophobicContact CH2-CB 4.35Å; W144-Q190 HydrophobicContact CH2-CG 4.48Å; W144-Q190 HydrophobicContact CZ2-CB 3.79Å; W144-Q190 HydrophobicContact CZ2-CG 4.21Å; W144-Q190 HydrophobicContact CZ3-CG 4.4Å
145	S	89.3	Confident	85.4	Confident	55 Å²	55	92.7 Å²	92.7	39%	0.385	44%	0.436	S	S	.	.			trans	-71.9	157.9	166.5	69.9	0	0	0	0	110.6	F147 E148 V149	S145-F147 PolarHBondContact O-N 3.17Å; S145-E148 PolarHBondContact N-OE2 2.87Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact OG-CG 3.27Å; S145-E148 WeakPolarHBondContact OG-CG 3.37Å; S145-E148 PolarHBondContact OG-N 3.35Å; S145-E148 PolarHBondContact OG-OE2 3.04Å; S145-V149 WeakPolarHBondContact O-CG2 3.4Å; S145-V149 PolarHBondContact O-N 2.86Å; S145-V149 VanDerWaalsContact O-N 3.08Å
146	Q	89.7	Confident	85.9	Confident	161 Å²	161	89.4 Å²	89.4	75%	0.752	42%	0.418	S	S	*	.	H	α-helix	trans	-55.2	-39.7	177	-174.6	-179.4	5.2	0	0	112.2	E148 V149 L150	Q146-E148 PolarHBondContact O-N 3.27Å; Q146-V149 PolarHBondContact O-N 3.02Å; Q146-L150 HydrophobicContact CG-CD1 4.13Å; Q146-L150 WeakPolarHBondContact O-CG 3.44Å; Q146-L150 PolarHBondContact O-N 2.94Å
147	F	89.9	Confident	86.6	Confident	111 Å²	111	83.3 Å²	83.3	49%	0.487	40%	0.398	S	S	.	.	H	α-helix	trans	-57.6	-46.7	175.1	171.3	-103	0	0	0	112	S145 V149 L150 A151 H178 L180	S145-F147 PolarHBondContact O-N 3.17Å; F147-V149 PolarHBondContact O-N 2.8Å; F147-L150 PolarHBondContact O-N 3.25Å; F147-A151 VanDerWaalsContact O-CB 3.26Å; F147-A151 WeakPolarHBondContact O-CB 3.14Å; F147-A151 PolarHBondContact O-N 2.96Å; F147-H178 AromaticContact CZ-ND1 3.86Å; F147-L180 HydrophobicContact CD1-CD1 4.36Å; F147-L180 HydrophobicContact CE1-CD1 3.95Å
148	E	91.9	Very high	87.4	Confident	18 Å²	18	82.6 Å²	82.6	8%	0.084	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-38.1	-179.3	-64.2	175.6	102.2	0	0	112.2	W144 S145 Q146 L152 L180 R182	W144-E148 HydrophobicContact CE3-CB 3.56Å; W144-E148 HydrophobicContact CZ3-CB 4.06Å; S145-E148 PolarHBondContact N-OE2 2.87Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact OG-CG 3.27Å; S145-E148 WeakPolarHBondContact OG-CG 3.37Å; S145-E148 PolarHBondContact OG-N 3.35Å; S145-E148 PolarHBondContact OG-OE2 3.04Å; Q146-E148 PolarHBondContact O-N 3.27Å; E148-L152 WeakPolarHBondContact O-CB 3.48Å; E148-L152 PolarHBondContact O-N 2.93Å; E148-L180 HydrophobicContact CB-CD1 4.26Å; E148-L180 HydrophobicContact CG-CD1 3.69Å; E148-L180 HydrophobicContact CG-CD2 3.88Å; E148-L180 HydrophobicContact CG-CG 4.4Å; E148-R182 IonicContact OE1-CZ 3.42Å; E148-R182 IonicContact OE1-NE 2.85Å; E148-R182 PolarHBondContact OE1-NE 2.85Å; E148-R182 IonicContact OE1-NH2 3.18Å; E148-R182 PolarHBondContact OE1-NH2 3.04Å; E148-R182 IonicContact OE2-NH2 2.72Å; E148-R182 PolarHBondContact OE2-NH2 2.85Å
149	V	93.8	Very high	88.3	Confident	27 Å²	27	72.8 Å²	72.8	16%	0.164	35%	0.35	C	S	.	.	H	α-helix	trans	-63.1	-46.5	175.9	-177.9	0	0	0	0	110.3	W144 S145 Q146 F147 L152 A153 P196	W144-V149 HydrophobicContact CB-CG2 3.69Å; W144-V149 HydrophobicContact CG-CG2 4.46Å; S145-V149 WeakPolarHBondContact O-CG2 3.4Å; S145-V149 PolarHBondContact O-N 2.86Å; S145-V149 VanDerWaalsContact O-N 3.08Å; Q146-V149 PolarHBondContact O-N 3.02Å; F147-V149 PolarHBondContact O-N 2.8Å; V149-L152 PolarHBondContact O-N 2.86Å; V149-A153 WeakPolarHBondContact O-CB 3.23Å; V149-A153 PolarHBondContact O-N 3.11Å; V149-P196 HydrophobicContact CG1-CB 4.36Å; V149-P196 HydrophobicContact CG1-CG 3.84Å
150	L	92.3	Very high	89.2	Confident	48 Å²	48	67.8 Å²	67.8	25%	0.251	33%	0.332	S	S	.	.	H	α-helix	trans	-66.2	-42.6	178.4	-70.3	173.8	0	0	0	111.8	Q146 F147 A153 K154 P196	Q146-L150 HydrophobicContact CG-CD1 4.13Å; Q146-L150 WeakPolarHBondContact O-CG 3.44Å; Q146-L150 PolarHBondContact O-N 2.94Å; F147-L150 PolarHBondContact O-N 3.25Å; L150-A153 PolarHBondContact O-N 2.88Å; L150-K154 WeakPolarHBondContact O-CB 3.24Å; L150-K154 VanDerWaalsContact O-CG 3.22Å; L150-K154 WeakPolarHBondContact O-CG 3.37Å; L150-K154 PolarHBondContact O-N 2.81Å; L150-P196 HydrophobicContact CD2-CB 3.97Å; L150-P196 HydrophobicContact CD2-CG 3.9Å
151	A	92.2	Very high	89.5	Confident	3 Å²	3	64.5 Å²	64.5	3%	0.025	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-46.9	176.4	0	0	0	0	0	111.5	F147 A153 K154 L155 L174	F147-A151 VanDerWaalsContact O-CB 3.26Å; F147-A151 WeakPolarHBondContact O-CB 3.14Å; F147-A151 PolarHBondContact O-N 2.96Å; A151-A153 PolarHBondContact O-N 2.78Å; A151-K154 PolarHBondContact O-N 3.32Å; A151-L155 WeakPolarHBondContact O-CG 3.31Å; A151-L155 PolarHBondContact O-N 3.12Å; A151-L174 HydrophobicContact CB-CD1 4.13Å
152	L	94.9	Very high	90.1	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-61.2	-46.2	176.4	-179.6	65.7	0	0	0	111.7	W144 E148 V149 K154 L155 E156 L170 L174 I187 Q190 R191	W144-L152 HydrophobicContact CH2-CD2 3.77Å; W144-L152 HydrophobicContact CZ3-CB 4.13Å; W144-L152 HydrophobicContact CZ3-CD2 3.85Å; E148-L152 WeakPolarHBondContact O-CB 3.48Å; E148-L152 PolarHBondContact O-N 2.93Å; V149-L152 PolarHBondContact O-N 2.86Å; L152-K154 PolarHBondContact O-N 2.79Å; L152-L155 PolarHBondContact O-N 3.33Å; L152-E156 WeakPolarHBondContact O-CB 3.21Å; L152-E156 PolarHBondContact O-N 2.79Å; L152-L170 HydrophobicContact CD1-CB 3.99Å; L152-L170 HydrophobicContact CD1-CD1 4.07Å; L152-L170 HydrophobicContact CD1-CD2 4.16Å; L152-L170 HydrophobicContact CD1-CG 4.31Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L152-I187 HydrophobicContact CD1-CG1 4.43Å; L152-I187 HydrophobicContact CD1-CG2 3.99Å; L152-I187 HydrophobicContact CD2-CG2 4.38Å; L152-Q190 HydrophobicContact CD2-CB 4Å; L152-Q190 HydrophobicContact CD2-CG 3.88Å; L152-R191 HydrophobicContact CD2-CG 4.29Å
153	A	93.5	Very high	90.5	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.033	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178.3	0	0	0	0	0	111.5	V149 L150 A151 L155 E156 V157 R195 P196 M198	V149-A153 WeakPolarHBondContact O-CB 3.23Å; V149-A153 PolarHBondContact O-N 3.11Å; L150-A153 PolarHBondContact O-N 2.88Å; A151-A153 PolarHBondContact O-N 2.78Å; A153-L155 PolarHBondContact O-N 2.99Å; A153-E156 PolarHBondContact O-N 3.4Å; A153-V157 WeakPolarHBondContact O-CG2 3.05Å; A153-V157 PolarHBondContact O-N 3.03Å; A153-V157 VanDerWaalsContact O-N 3.11Å; A153-R195 HydrophobicContact CB-CG 4.35Å; A153-P196 HydrophobicContact CB-CG 3.91Å; A153-M198 HydrophobicContact CB-SD 3.82Å
154	K	92	Very high	90.7	Very high	66 Å²	66	57 Å²	57	29%	0.287	31%	0.31	S	S	.	.	H	α-helix	trans	-57.1	-47.8	175.7	-74.8	178.3	-178.7	-156	0	111.9	L150 A151 L152 Q158 M198 D199 T202	L150-K154 WeakPolarHBondContact O-CB 3.24Å; L150-K154 VanDerWaalsContact O-CG 3.22Å; L150-K154 WeakPolarHBondContact O-CG 3.37Å; L150-K154 PolarHBondContact O-N 2.81Å; A151-K154 PolarHBondContact O-N 3.32Å; L152-K154 PolarHBondContact O-N 2.79Å; K154-Q158 VanDerWaalsContact O-CG 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.4Å; K154-Q158 PolarHBondContact O-N 3.07Å; K154-M198 HydrophobicContact CB-CE 4.25Å; K154-M198 HydrophobicContact CG-CE 3.47Å; K154-M198 VanDerWaalsContact CG-CE 3.47Å; K154-D199 WeakPolarHBondContact CE-OD2 3.36Å; K154-D199 IonicContact NZ-OD2 3.99Å; K154-D199 PolarHBondContact NZ-OD2 3.5Å; K154-T202 WeakPolarHBondContact CE-OG1 3.34Å; K154-T202 HydrophobicContact CG-CG2 4.22Å
155	L	92.9	Very high	90.8	Very high	9 Å²	9	61 Å²	61	5%	0.047	33%	0.332	C	S	.	.	H	α-helix	trans	-63.7	-41.3	177.2	-68.8	173.1	0	0	0	112	A151 L152 A153 V157 Q158 L159 L170 L173 L174 K177	A151-L155 WeakPolarHBondContact O-CG 3.31Å; A151-L155 PolarHBondContact O-N 3.12Å; L152-L155 PolarHBondContact O-N 3.33Å; A153-L155 PolarHBondContact O-N 2.99Å; L155-V157 PolarHBondContact O-N 3.25Å; L155-Q158 PolarHBondContact O-N 2.78Å; L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 2.76Å; L155-L170 HydrophobicContact CB-CD2 3.71Å; L155-L173 HydrophobicContact CD1-CB 3.92Å; L155-L173 HydrophobicContact CD2-CB 4.16Å; L155-L174 HydrophobicContact CD1-CB 4.19Å; L155-L174 HydrophobicContact CD1-CD1 3.85Å; L155-K177 HydrophobicContact CD2-CG 4.18Å
156	E	92.1	Very high	91.1	Very high	32 Å²	32	60 Å²	60	15%	0.15	32%	0.322	C	S	.	.	H	α-helix	trans	-62.1	-43.2	-179.2	-176.1	175.4	-151.8	0	0	112.7	L152 A153 Q158 L159 I166 L170 R191 R195	L152-E156 WeakPolarHBondContact O-CB 3.21Å; L152-E156 PolarHBondContact O-N 2.79Å; A153-E156 PolarHBondContact O-N 3.4Å; E156-Q158 VanDerWaalsContact C-N 3.31Å; E156-Q158 PolarHBondContact O-N 3.28Å; E156-L159 PolarHBondContact O-N 3.09Å; E156-I166 HydrophobicContact CG-CD1 4.43Å; E156-L170 HydrophobicContact CB-CD1 4.26Å; E156-L170 HydrophobicContact CB-CD2 4.19Å; E156-L170 HydrophobicContact CG-CD1 4.39Å; E156-R191 IonicContact OE1-CZ 2.73Å; E156-R191 IonicContact OE1-NE 3.89Å; E156-R191 PolarHBondContact OE1-NE 3.41Å; E156-R191 IonicContact OE1-NH2 3.29Å; E156-R191 PolarHBondContact OE1-NH2 3.31Å; E156-R195 IonicContact OE2-NH2 2.71Å
157	V	90.1	Very high	91.3	Very high	30 Å²	30	53.7 Å²	53.7	18%	0.182	29%	0.293	C	S	.	.	H	α-helix	trans	-75.5	-23.3	179.6	-155.5	0	0	0	0	112.4	A153 L155 L159 L206 R209	A153-V157 WeakPolarHBondContact O-CG2 3.05Å; A153-V157 PolarHBondContact O-N 3.03Å; A153-V157 VanDerWaalsContact O-N 3.11Å; L155-V157 PolarHBondContact O-N 3.25Å; V157-L159 PolarHBondContact O-N 3.23Å; V157-L206 HydrophobicContact CB-CD1 3.84Å; V157-L206 HydrophobicContact CB-CD2 3.83Å; V157-L206 HydrophobicContact CB-CG 4.44Å; V157-L206 HydrophobicContact CG1-CD1 3.34Å; V157-L206 HydrophobicContact CG1-CD2 3.43Å; V157-L206 VanDerWaalsContact CG1-CD2 3.43Å; V157-L206 HydrophobicContact CG1-CG 3.96Å; V157-L206 HydrophobicContact CG2-CD1 4.49Å; V157-L206 WeakPolarHBondContact O-CD2 3.18Å; V157-R209 PolarHBondContact O-NH2 3.11Å
158	Q	88.5	Confident	91.6	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-74.9	-10.2	172.9	-73.5	177.2	-1.4	0	0	113.5	K154 L155 E156 R209	K154-Q158 VanDerWaalsContact O-CG 3.29Å; K154-Q158 WeakPolarHBondContact O-CG 3.4Å; K154-Q158 PolarHBondContact O-N 3.07Å; L155-Q158 PolarHBondContact O-N 2.78Å; E156-Q158 VanDerWaalsContact C-N 3.31Å; E156-Q158 PolarHBondContact O-N 3.28Å; Q158-R209 PolarHBondContact O-NH1 3.01Å
159	L	89.8	Confident	91.8	Very high	26 Å²	26	54.8 Å²	54.8	14%	0.136	30%	0.303	C	S	.	.	S	Bend	trans	-87.7	153.3	176.2	-70.7	173.4	0	0	0	112	L155 E156 V157 I163 I166 V169 L170 L173 R209	L155-L159 WeakPolarHBondContact O-CG 3.41Å; L155-L159 PolarHBondContact O-N 2.76Å; E156-L159 PolarHBondContact O-N 3.09Å; V157-L159 PolarHBondContact O-N 3.23Å; L159-I163 HydrophobicContact CD1-CD1 4.39Å; L159-I163 HydrophobicContact CD2-CD1 3.94Å; L159-I166 HydrophobicContact CD1-CG1 4.29Å; L159-V169 HydrophobicContact CD1-CG1 3.94Å; L159-V169 HydrophobicContact CD2-CG1 4.04Å; L159-L170 HydrophobicContact CD1-CD2 3.66Å; L159-L170 HydrophobicContact CD1-CG 3.96Å; L159-L173 HydrophobicContact CD1-CD1 4.22Å; L159-L173 HydrophobicContact CD2-CD1 3.84Å; L159-L173 HydrophobicContact CG-CD1 4.31Å; L159-R209 PolarHBondContact O-NH2 3.48Å
160	P	88	Confident	91.9	Very high	65 Å²	65	53.5 Å²	53.5	42%	0.422	30%	0.295	S	S	.	.			trans	-62.2	146.8	168	-20.4	32.9	0	0	0	111.5	N162 I163	P160-N162 VanDerWaalsContact C-N 3.3Å; P160-N162 WeakPolarHBondContact CB-OD1 3.24Å; P160-N162 PolarHBondContact O-N 2.89Å; P160-I163 WeakPolarHBondContact O-CG2 2.98Å
161	S	82.7	Confident	92.1	Very high	132 Å²	132	52.7 Å²	52.7	92%	0.923	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.4	-178.4	52.6	0	0	0	0	113.9
162	N	88.3	Confident	92.2	Very high	135 Å²	135	58.9 Å²	58.9	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	17.6	-177.3	66.7	-27	0	0	0	114.2	P160 V164	P160-N162 VanDerWaalsContact C-N 3.3Å; P160-N162 WeakPolarHBondContact CB-OD1 3.24Å; P160-N162 PolarHBondContact O-N 2.89Å; N162-V164 PolarHBondContact O-N 3.4Å
163	I	90.5	Very high	92.2	Very high	49 Å²	49	60.4 Å²	60.4	25%	0.251	33%	0.328	S	S	.	.			trans	-72.2	125.4	-175.6	-165.9	166.1	0	0	0	112.6	L159 P160 I166 V169	L159-I163 HydrophobicContact CD1-CD1 4.39Å; L159-I163 HydrophobicContact CD2-CD1 3.94Å; P160-I163 WeakPolarHBondContact O-CG2 2.98Å; I163-I166 HydrophobicContact CG2-CB 3.67Å; I163-I166 HydrophobicContact CG2-CD1 3.74Å; I163-I166 HydrophobicContact CG2-CG1 3.63Å; I163-V169 HydrophobicContact CD1-CB 4.15Å; I163-V169 HydrophobicContact CD1-CG1 3.82Å; I163-V169 HydrophobicContact CD1-CG2 3.87Å; I163-V169 HydrophobicContact CG1-CG2 4.32Å
164	V	91.9	Very high	92.2	Very high	112 Å²	112	60.2 Å²	60.2	68%	0.679	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	143.4	172.9	-175.1	0	0	0	0	109.5	N162 I166	N162-V164 PolarHBondContact O-N 3.4Å; V164-I166 VanDerWaalsContact C-N 3.27Å; V164-I166 PolarHBondContact O-N 3.34Å
165	N	93.3	Very high	92.2	Very high	101 Å²	101	59.1 Å²	59.1	54%	0.54	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.9	177.4	-62.8	-30.5	0	0	0	114.2	N167 Q168 V169	N165-N167 PolarHBondContact O-N 3.34Å; N165-Q168 HydrophobicContact CB-CB 4.31Å; N165-Q168 HydrophobicContact CB-CG 4.38Å; N165-Q168 WeakPolarHBondContact O-CB 3.33Å; N165-Q168 PolarHBondContact O-N 3.39Å; N165-V169 PolarHBondContact O-N 3.42Å
166	I	94.1	Very high	92.2	Very high	35 Å²	35	62.6 Å²	62.6	18%	0.179	34%	0.338	C	S	.	.	H	α-helix	trans	-45.6	-37.1	-178.1	-168.8	166.6	0	0	0	114.2	E156 L159 I163 V164 Q168 V169 L170	E156-I166 HydrophobicContact CG-CD1 4.43Å; L159-I166 HydrophobicContact CD1-CG1 4.29Å; I163-I166 HydrophobicContact CG2-CB 3.67Å; I163-I166 HydrophobicContact CG2-CD1 3.74Å; I163-I166 HydrophobicContact CG2-CG1 3.63Å; V164-I166 VanDerWaalsContact C-N 3.27Å; V164-I166 PolarHBondContact O-N 3.34Å; I166-Q168 PolarHBondContact O-N 3Å; I166-V169 PolarHBondContact O-N 3.45Å; I166-L170 HydrophobicContact CG1-CD1 3.94Å; I166-L170 HydrophobicContact CG1-CG 4.28Å; I166-L170 WeakPolarHBondContact O-CB 3.28Å; I166-L170 VanDerWaalsContact O-CG 3.27Å; I166-L170 WeakPolarHBondContact O-CG 3.33Å; I166-L170 PolarHBondContact O-N 3.4Å
167	N	95.5	Very high	92	Very high	27 Å²	27	67 Å²	67	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-67.5	-35.6	-179.9	-64.2	-35.4	0	0	0	113	N165 S171 V184 I187 R191	N165-N167 PolarHBondContact O-N 3.34Å; N167-S171 WeakPolarHBondContact O-CB 3.23Å; N167-S171 PolarHBondContact O-N 2.89Å; N167-V184 HydrophobicContact CB-CG1 3.56Å; N167-I187 HydrophobicContact CB-CG2 4.4Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.45Å
168	Q	96.2	Very high	92	Very high	109 Å²	109	67.6 Å²	67.6	51%	0.509	36%	0.357	S	S	.	.	H	α-helix	trans	-70.8	-42.8	175.8	-68.2	176	-10.5	0	0	110.6	N165 I166 L170 S171 K172 V184	N165-Q168 HydrophobicContact CB-CB 4.31Å; N165-Q168 HydrophobicContact CB-CG 4.38Å; N165-Q168 WeakPolarHBondContact O-CB 3.33Å; N165-Q168 PolarHBondContact O-N 3.39Å; I166-Q168 PolarHBondContact O-N 3Å; Q168-L170 PolarHBondContact O-N 2.73Å; Q168-S171 WeakPolarHBondContact O-CB 3.33Å; Q168-S171 PolarHBondContact O-N 3.35Å; Q168-K172 PolarHBondContact O-N 3.27Å; Q168-V184 HydrophobicContact CG-CG1 4.45Å; Q168-V184 HydrophobicContact CG-CG2 3.88Å
169	V	95.9	Very high	92.1	Very high	44 Å²	44	63.2 Å²	63.2	27%	0.267	34%	0.337	S	S	.	.	H	α-helix	trans	-60.6	-46.9	176.3	178.7	0	0	0	0	110.5	L159 I163 N165 I166 S171 K172 L173	L159-V169 HydrophobicContact CD1-CG1 3.94Å; L159-V169 HydrophobicContact CD2-CG1 4.04Å; I163-V169 HydrophobicContact CD1-CB 4.15Å; I163-V169 HydrophobicContact CD1-CG1 3.82Å; I163-V169 HydrophobicContact CD1-CG2 3.87Å; I163-V169 HydrophobicContact CG1-CG2 4.32Å; N165-V169 PolarHBondContact O-N 3.42Å; I166-V169 PolarHBondContact O-N 3.45Å; V169-S171 VanDerWaalsContact C-N 3.33Å; V169-S171 PolarHBondContact O-N 3.2Å; V169-K172 PolarHBondContact O-N 2.82Å; V169-L173 HydrophobicContact CG1-CD1 3.85Å; V169-L173 HydrophobicContact CG1-CG 4.3Å; V169-L173 WeakPolarHBondContact O-CB 3.14Å; V169-L173 WeakPolarHBondContact O-CG 3.49Å; V169-L173 PolarHBondContact O-N 3.05Å
170	L	96.3	Very high	92.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-39.2	175.9	-73.2	171.2	0	0	0	112.3	L152 L155 E156 L159 I166 Q168 K172 L173 L174 I187	L152-L170 HydrophobicContact CD1-CB 3.99Å; L152-L170 HydrophobicContact CD1-CD1 4.07Å; L152-L170 HydrophobicContact CD1-CD2 4.16Å; L152-L170 HydrophobicContact CD1-CG 4.31Å; L155-L170 HydrophobicContact CB-CD2 3.71Å; E156-L170 HydrophobicContact CB-CD1 4.26Å; E156-L170 HydrophobicContact CB-CD2 4.19Å; E156-L170 HydrophobicContact CG-CD1 4.39Å; L159-L170 HydrophobicContact CD1-CD2 3.66Å; L159-L170 HydrophobicContact CD1-CG 3.96Å; I166-L170 HydrophobicContact CG1-CD1 3.94Å; I166-L170 HydrophobicContact CG1-CG 4.28Å; I166-L170 WeakPolarHBondContact O-CB 3.28Å; I166-L170 VanDerWaalsContact O-CG 3.27Å; I166-L170 WeakPolarHBondContact O-CG 3.33Å; I166-L170 PolarHBondContact O-N 3.4Å; Q168-L170 PolarHBondContact O-N 2.73Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.25Å; L170-L173 PolarHBondContact O-N 3.44Å; L170-L174 WeakPolarHBondContact O-CB 3.37Å; L170-L174 PolarHBondContact O-N 3.15Å; L170-I187 HydrophobicContact CB-CD1 4.42Å; L170-I187 HydrophobicContact CB-CG2 4.04Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å
171	S	95.9	Very high	92.3	Very high	31 Å²	31	63.1 Å²	63.1	22%	0.217	34%	0.336	C	S	.	.	H	α-helix	trans	-57.9	-46	174.7	-175.4	0	0	0	0	111.9	N167 Q168 V169 F175 R182	N167-S171 WeakPolarHBondContact O-CB 3.23Å; N167-S171 PolarHBondContact O-N 2.89Å; Q168-S171 WeakPolarHBondContact O-CB 3.33Å; Q168-S171 PolarHBondContact O-N 3.35Å; V169-S171 VanDerWaalsContact C-N 3.33Å; V169-S171 PolarHBondContact O-N 3.2Å; S171-F175 PolarHBondContact O-N 2.94Å; S171-R182 PolarHBondContact OG-O 3.48Å
172	K	94.2	Very high	92.7	Very high	133 Å²	133	59.1 Å²	59.1	58%	0.578	30%	0.3	S	S	*	.	H	α-helix	trans	-66.3	-49	179.2	-177.5	175.1	173.2	178.6	0	111.1	Q168 V169 L170 L174 F175 E176	Q168-K172 PolarHBondContact O-N 3.27Å; V169-K172 PolarHBondContact O-N 2.82Å; L170-K172 VanDerWaalsContact C-N 3.32Å; L170-K172 PolarHBondContact O-N 3.25Å; K172-L174 VanDerWaalsContact C-N 3.35Å; K172-L174 PolarHBondContact O-N 2.97Å; K172-F175 PolarHBondContact O-N 3.32Å; K172-E176 WeakPolarHBondContact CE-OE1 3.03Å; K172-E176 HydrophobicContact CG-CG 4.4Å; K172-E176 WeakPolarHBondContact CG-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 2.94Å; K172-E176 WeakPolarHBondContact O-CG 3.44Å; K172-E176 PolarHBondContact O-N 2.83Å
173	L	94.1	Very high	93	Very high	37 Å²	37	56.9 Å²	56.9	19%	0.194	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-36.8	-179.5	-71.1	176.2	0	0	0	113	L155 L159 V169 L170 F175 E176 K177	L155-L173 HydrophobicContact CD1-CB 3.92Å; L155-L173 HydrophobicContact CD2-CB 4.16Å; L159-L173 HydrophobicContact CD1-CD1 4.22Å; L159-L173 HydrophobicContact CD2-CD1 3.84Å; L159-L173 HydrophobicContact CG-CD1 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.85Å; V169-L173 HydrophobicContact CG1-CG 4.3Å; V169-L173 WeakPolarHBondContact O-CB 3.14Å; V169-L173 WeakPolarHBondContact O-CG 3.49Å; V169-L173 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 3.44Å; L173-F175 VanDerWaalsContact C-N 3.28Å; L173-F175 PolarHBondContact O-N 3.13Å; L173-E176 PolarHBondContact O-N 3.18Å; L173-K177 VanDerWaalsContact O-CB 3.25Å; L173-K177 WeakPolarHBondContact O-CB 3.16Å; L173-K177 WeakPolarHBondContact O-CG 3.31Å; L173-K177 PolarHBondContact O-N 3.37Å
174	L	94.1	Very high	93.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-36.6	177.8	-160.3	79.9	0	0	0	111	W144 A151 L152 L155 L170 K172 H178 G179 L180 R182	W144-L174 HydrophobicContact CH2-CD2 4.3Å; W144-L174 HydrophobicContact CZ3-CD2 4.26Å; A151-L174 HydrophobicContact CB-CD1 4.13Å; L152-L174 HydrophobicContact CB-CD1 4.24Å; L155-L174 HydrophobicContact CD1-CB 4.19Å; L155-L174 HydrophobicContact CD1-CD1 3.85Å; L170-L174 WeakPolarHBondContact O-CB 3.37Å; L170-L174 PolarHBondContact O-N 3.15Å; K172-L174 VanDerWaalsContact C-N 3.35Å; K172-L174 PolarHBondContact O-N 2.97Å; L174-H178 CarbonylContact O-C 3.54Å; L174-H178 WeakPolarHBondContact O-CA 3.44Å; L174-H178 WeakPolarHBondContact O-CB 3.35Å; L174-H178 PolarHBondContact O-N 3.06Å; L174-H178 VanDerWaalsContact O-N 3.13Å; L174-G179 PolarHBondContact O-N 3.18Å; L174-L180 CarbonylContact C-O 3.59Å; L174-L180 HydrophobicContact CD1-CD1 4.13Å; L174-L180 HydrophobicContact CD2-CB 3.79Å; L174-L180 HydrophobicContact CD2-CD1 4.27Å; L174-L180 HydrophobicContact CG-CB 3.78Å; L174-L180 HydrophobicContact CG-CD1 4.02Å; L174-L180 PolarHBondContact O-N 2.73Å; L174-R182 HydrophobicContact CD2-CB 3.91Å; L174-R182 HydrophobicContact CD2-CG 3.59Å
175	F	92.9	Very high	93.4	Very high	42 Å²	42	56.8 Å²	56.8	18%	0.184	28%	0.282	C	S	.	.	H	α-helix	trans	-71.6	-47.7	172.5	178.3	-109.7	0	0	0	112.4	E50 V54 S171 K172 L173 G179 L180 T181	E50-F175 HydrophobicContact CB-CE2 4.49Å; E50-F175 HydrophobicContact CG-CE2 3.88Å; E50-F175 HydrophobicContact CG-CZ 4.15Å; V54-F175 HydrophobicContact CG2-CE1 3.39Å; V54-F175 HydrophobicContact CG2-CZ 3.67Å; S171-F175 PolarHBondContact O-N 2.94Å; K172-F175 PolarHBondContact O-N 3.32Å; L173-F175 VanDerWaalsContact C-N 3.28Å; L173-F175 PolarHBondContact O-N 3.13Å; F175-G179 WeakPolarHBondContact O-CA 3.44Å; F175-G179 PolarHBondContact O-N 2.77Å; F175-L180 PolarHBondContact N-O 3.11Å; F175-T181 WeakPolarHBondContact CD2-OG1 3.31Å
176	E	91	Very high	93.5	Very high	83 Å²	83	53.9 Å²	53.9	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-44.8	-178	-72.5	175.4	174.1	0	0	112.9	K172 L173	K172-E176 WeakPolarHBondContact CE-OE1 3.03Å; K172-E176 HydrophobicContact CG-CG 4.4Å; K172-E176 WeakPolarHBondContact CG-OE1 3.47Å; K172-E176 IonicContact NZ-OE1 2.94Å; K172-E176 WeakPolarHBondContact O-CG 3.44Å; K172-E176 PolarHBondContact O-N 2.83Å; L173-E176 PolarHBondContact O-N 3.18Å
177	K	89.5	Confident	93.6	Very high	124 Å²	124	52.2 Å²	52.2	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-86.8	-25.4	-174.6	-63.7	-66.5	-173.7	-178.8	0	113.8	T40 L155 L173	T40-K177 VanDerWaalsContact CG2-O 3.26Å; T40-K177 WeakPolarHBondContact CG2-O 3.49Å; L155-K177 HydrophobicContact CD2-CG 4.18Å; L173-K177 VanDerWaalsContact O-CB 3.25Å; L173-K177 WeakPolarHBondContact O-CB 3.16Å; L173-K177 WeakPolarHBondContact O-CG 3.31Å; L173-K177 PolarHBondContact O-N 3.37Å
178	H	89.9	Confident	93.5	Very high	42 Å²	42	54.8 Å²	54.8	19%	0.194	27%	0.268	C	S	.	.	H	α-helix	trans	-132.8	-2.3	-173	-56.8	-67.4	0	0	0	114.4	F147 L174 L180	F147-H178 AromaticContact CZ-ND1 3.86Å; L174-H178 CarbonylContact O-C 3.54Å; L174-H178 WeakPolarHBondContact O-CA 3.44Å; L174-H178 WeakPolarHBondContact O-CB 3.35Å; L174-H178 PolarHBondContact O-N 3.06Å; L174-H178 VanDerWaalsContact O-N 3.13Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.69Å; H178-L180 HydrophobicContact CB-CG 3.85Å; H178-L180 PolarHBondContact O-N 3.08Å
179	G	89.2	Confident	93.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.			trans	63.3	21.7	-175.4	0	0	0	0	0	113.3	N47 L174 F175	N47-G179 VanDerWaalsContact CB-O 3.22Å; N47-G179 WeakPolarHBondContact CB-O 3.29Å; N47-G179 PolarHBondContact ND2-O 3.22Å; L174-G179 PolarHBondContact O-N 3.18Å; F175-G179 WeakPolarHBondContact O-CA 3.44Å; F175-G179 PolarHBondContact O-N 2.77Å
180	L	90.9	Very high	93.3	Very high	15 Å²	15	49.5 Å²	49.5	8%	0.079	25%	0.246	C	C	.	.			trans	-99.8	110.3	-174.9	-67.8	169.4	0	0	0	110.4	F147 E148 L174 F175 H178 R182	F147-L180 HydrophobicContact CD1-CD1 4.36Å; F147-L180 HydrophobicContact CE1-CD1 3.95Å; E148-L180 HydrophobicContact CB-CD1 4.26Å; E148-L180 HydrophobicContact CG-CD1 3.69Å; E148-L180 HydrophobicContact CG-CD2 3.88Å; E148-L180 HydrophobicContact CG-CG 4.4Å; L174-L180 CarbonylContact C-O 3.59Å; L174-L180 HydrophobicContact CD1-CD1 4.13Å; L174-L180 HydrophobicContact CD2-CB 3.79Å; L174-L180 HydrophobicContact CD2-CD1 4.27Å; L174-L180 HydrophobicContact CG-CB 3.78Å; L174-L180 HydrophobicContact CG-CD1 4.02Å; L174-L180 PolarHBondContact O-N 2.73Å; F175-L180 PolarHBondContact N-O 3.11Å; H178-L180 HydrophobicContact CB-CB 4.43Å; H178-L180 HydrophobicContact CB-CD1 3.69Å; H178-L180 HydrophobicContact CB-CG 3.85Å; H178-L180 PolarHBondContact O-N 3.08Å; L180-R182 PolarHBondContact O-N 2.97Å
181	T	91	Very high	93.2	Very high	75 Å²	75	53.3 Å²	53.3	46%	0.46	26%	0.26	S	S	.	.			trans	-85.2	108.6	177.4	-54	0	0	0	0	110.3	E50 F175	E50-T181 PolarHBondContact OE1-OG1 3.29Å; F175-T181 WeakPolarHBondContact CD2-OG1 3.31Å
182	R	92.6	Very high	93	Very high	48 Å²	48	60.2 Å²	60.2	18%	0.181	28%	0.281	C	S	.	.			trans	-133.8	127.3	177.3	-63.8	-64.2	-177	-177.4	12.8	109.1	R143 W144 E148 S171 L174 L180 I187	R143-R182 PolarHBondContact O-NH2 3.36Å; W144-R182 HydrophobicContact CH2-CB 4.06Å; W144-R182 HydrophobicContact CH2-CG 3.79Å; W144-R182 HydrophobicContact CZ2-CB 4.31Å; W144-R182 HydrophobicContact CZ2-CG 4.15Å; W144-R182 HydrophobicContact CZ3-CG 4.3Å; E148-R182 IonicContact OE1-CZ 3.42Å; E148-R182 IonicContact OE1-NE 2.85Å; E148-R182 PolarHBondContact OE1-NE 2.85Å; E148-R182 IonicContact OE1-NH2 3.18Å; E148-R182 PolarHBondContact OE1-NH2 3.04Å; E148-R182 IonicContact OE2-NH2 2.72Å; E148-R182 PolarHBondContact OE2-NH2 2.85Å; S171-R182 PolarHBondContact OG-O 3.48Å; L174-R182 HydrophobicContact CD2-CB 3.91Å; L174-R182 HydrophobicContact CD2-CG 3.59Å; L180-R182 PolarHBondContact O-N 2.97Å; R182-I187 HydrophobicContact CB-CD1 4.24Å; R182-I187 HydrophobicContact CB-CG1 4.1Å
183	N	94.2	Very high	92.8	Very high	88 Å²	88	59.9 Å²	59.9	47%	0.471	28%	0.28	S	S	.	.			trans	-72.7	164.2	-179.7	73.3	41.1	0	0	0	112.2	E185 M186 I187	N183-E185 VanDerWaalsContact C-N 3.31Å; N183-E185 PolarHBondContact O-N 2.8Å; N183-E185 PolarHBondContact OD1-N 3.24Å; N183-E185 VanDerWaalsContact OD1-N 3.17Å; N183-M186 WeakPolarHBondContact O-CB 3.49Å; N183-M186 PolarHBondContact O-N 3.13Å; N183-M186 VanDerWaalsContact O-N 3.17Å; N183-M186 VanDerWaalsContact OD1-CG 3.24Å; N183-M186 WeakPolarHBondContact OD1-CG 3.22Å; N183-M186 PolarHBondContact OD1-N 3.46Å; N183-I187 PolarHBondContact O-N 3.29Å; N183-I187 VanDerWaalsContact O-N 3.1Å
184	V	95.6	Very high	92.3	Very high	48 Å²	48	63.9 Å²	63.9	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-56.2	-41.5	-176	179.1	0	0	0	0	112.4	N167 Q168 I187 K188	N167-V184 HydrophobicContact CB-CG1 3.56Å; Q168-V184 HydrophobicContact CG-CG1 4.45Å; Q168-V184 HydrophobicContact CG-CG2 3.88Å; V184-I187 PolarHBondContact O-N 3.21Å; V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.08Å
185	E	95.9	Very high	91.7	Very high	110 Å²	110	70.4 Å²	70.4	51%	0.514	34%	0.336	S	S	.	.	H	α-helix	trans	-70.9	-34.9	-179.1	-69.4	-53.2	115.6	0	0	112.7	N183 K188 G189	N183-E185 VanDerWaalsContact C-N 3.31Å; N183-E185 PolarHBondContact O-N 2.8Å; N183-E185 PolarHBondContact OD1-N 3.24Å; N183-E185 VanDerWaalsContact OD1-N 3.17Å; E185-K188 IonicContact OE2-NZ 3.13Å; E185-G189 PolarHBondContact O-N 2.79Å
186	M	94.6	Very high	91.3	Very high	41 Å²	41	70 Å²	70	20%	0.202	34%	0.337	C	S	.	.	H	α-helix	trans	-65.4	-42.5	173.9	-69.9	177.5	70.3	0	0	111.3	R143 W144 N183 G189 Q190	R143-M186 HydrophobicContact CG-CE 3.87Å; W144-M186 HydrophobicContact CZ2-CB 4.22Å; N183-M186 WeakPolarHBondContact O-CB 3.49Å; N183-M186 PolarHBondContact O-N 3.13Å; N183-M186 VanDerWaalsContact O-N 3.17Å; N183-M186 VanDerWaalsContact OD1-CG 3.24Å; N183-M186 WeakPolarHBondContact OD1-CG 3.22Å; N183-M186 PolarHBondContact OD1-N 3.46Å; M186-G189 PolarHBondContact O-N 2.71Å; M186-Q190 WeakPolarHBondContact O-CB 3.49Å; M186-Q190 PolarHBondContact O-N 3.29Å
187	I	95.2	Very high	90.9	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-48.5	176.4	-70.8	169.8	0	0	0	110.2	W144 L152 N167 L170 R182 N183 V184 G189 Q190 R191	W144-I187 HydrophobicContact CH2-CG1 4.02Å; W144-I187 HydrophobicContact CZ2-CG1 4.35Å; L152-I187 HydrophobicContact CD1-CG1 4.43Å; L152-I187 HydrophobicContact CD1-CG2 3.99Å; L152-I187 HydrophobicContact CD2-CG2 4.38Å; N167-I187 HydrophobicContact CB-CG2 4.4Å; L170-I187 HydrophobicContact CB-CD1 4.42Å; L170-I187 HydrophobicContact CB-CG2 4.04Å; L170-I187 HydrophobicContact CD1-CG2 4.15Å; R182-I187 HydrophobicContact CB-CD1 4.24Å; R182-I187 HydrophobicContact CB-CG1 4.1Å; N183-I187 PolarHBondContact O-N 3.29Å; N183-I187 VanDerWaalsContact O-N 3.1Å; V184-I187 PolarHBondContact O-N 3.21Å; I187-G189 VanDerWaalsContact C-N 3.28Å; I187-G189 PolarHBondContact O-N 3.19Å; I187-Q190 PolarHBondContact O-N 3.07Å; I187-Q190 VanDerWaalsContact O-N 3.09Å; I187-R191 HydrophobicContact CG2-CG 4.26Å; I187-R191 VanDerWaalsContact O-CG 3.29Å; I187-R191 WeakPolarHBondContact O-CG 3.29Å; I187-R191 PolarHBondContact O-N 3.4Å
188	K	94.5	Very high	90.6	Very high	81 Å²	81	67.2 Å²	67.2	35%	0.352	34%	0.337	S	S	.	.	H	α-helix	trans	-54	-46	174.3	-176.5	-179.2	179.8	-176.3	0	111.5	V184 E185 R192	V184-K188 WeakPolarHBondContact O-CB 3.41Å; V184-K188 PolarHBondContact O-N 3.08Å; E185-K188 IonicContact OE2-NZ 3.13Å; K188-R192 WeakPolarHBondContact O-CG 3.39Å; K188-R192 PolarHBondContact O-N 2.87Å
189	G	94.3	Very high	90.4	Very high	22 Å²	22	68.2 Å²	68.2	23%	0.227	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-41	176.3	0	0	0	0	0	113.6	E185 M186 I187	E185-G189 PolarHBondContact O-N 2.79Å; M186-G189 PolarHBondContact O-N 2.71Å; I187-G189 VanDerWaalsContact C-N 3.28Å; I187-G189 PolarHBondContact O-N 3.19Å
190	Q	94.3	Very high	90.1	Very high	20 Å²	20	76.9 Å²	76.9	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-72.2	-37.2	179.9	-172.1	57.3	28.6	0	0	112.3	W144 L152 M186 I187 R192 K193	W144-Q190 HydrophobicContact CD2-CB 4.2Å; W144-Q190 HydrophobicContact CD2-CG 3.8Å; W144-Q190 HydrophobicContact CE3-CG 4.05Å; W144-Q190 HydrophobicContact CG-CG 4.21Å; W144-Q190 HydrophobicContact CH2-CB 4.35Å; W144-Q190 HydrophobicContact CH2-CG 4.48Å; W144-Q190 HydrophobicContact CZ2-CB 3.79Å; W144-Q190 HydrophobicContact CZ2-CG 4.21Å; W144-Q190 HydrophobicContact CZ3-CG 4.4Å; L152-Q190 HydrophobicContact CD2-CB 4Å; L152-Q190 HydrophobicContact CD2-CG 3.88Å; M186-Q190 WeakPolarHBondContact O-CB 3.49Å; M186-Q190 PolarHBondContact O-N 3.29Å; I187-Q190 PolarHBondContact O-N 3.07Å; I187-Q190 VanDerWaalsContact O-N 3.09Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.13Å; Q190-K193 WeakPolarHBondContact O-CB 3.11Å; Q190-K193 PolarHBondContact O-N 3.12Å; Q190-K193 VanDerWaalsContact O-N 3.15Å
191	R	93	Very high	89.7	Confident	79 Å²	79	82.7 Å²	82.7	30%	0.298	41%	0.408	S	S	.	.	H	α-helix	trans	-66.5	-25.4	176.6	-69.9	174	68.8	-130	-7.5	114	L152 E156 N167 I187 K193	L152-R191 HydrophobicContact CD2-CG 4.29Å; E156-R191 IonicContact OE1-CZ 2.73Å; E156-R191 IonicContact OE1-NE 3.89Å; E156-R191 PolarHBondContact OE1-NE 3.41Å; E156-R191 IonicContact OE1-NH2 3.29Å; E156-R191 PolarHBondContact OE1-NH2 3.31Å; N167-R191 WeakPolarHBondContact OD1-CD 3.47Å; N167-R191 PolarHBondContact OD1-NH1 3.45Å; I187-R191 HydrophobicContact CG2-CG 4.26Å; I187-R191 VanDerWaalsContact O-CG 3.29Å; I187-R191 WeakPolarHBondContact O-CG 3.29Å; I187-R191 PolarHBondContact O-N 3.4Å; R191-K193 PolarHBondContact O-N 2.94Å
192	R	91.8	Very high	89.1	Confident	176 Å²	176	79.4 Å²	79.4	66%	0.664	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.6	173.5	-76.1	-174.5	-69.9	-138.4	-0.6	113.3	K188 Q190	K188-R192 WeakPolarHBondContact O-CG 3.39Å; K188-R192 PolarHBondContact O-N 2.87Å; Q190-R192 VanDerWaalsContact C-N 3.28Å; Q190-R192 PolarHBondContact O-N 3.13Å
193	K	90.1	Very high	88.7	Confident	127 Å²	127	81.7 Å²	81.7	55%	0.552	40%	0.401	S	S	*	.	S	Bend	trans	-80.9	156.9	175.4	-60.4	-179.6	-175.3	165.8	0	110	Q190 R191 R195	Q190-K193 WeakPolarHBondContact O-CB 3.11Å; Q190-K193 PolarHBondContact O-N 3.12Å; Q190-K193 VanDerWaalsContact O-N 3.15Å; R191-K193 PolarHBondContact O-N 2.94Å; K193-R195 PolarHBondContact O-N 3.48Å
194	S	83.2	Confident	88.3	Confident	120 Å²	120	82.3 Å²	82.3	84%	0.839	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-51.9	130.5	173.4	-52.2	0	0	0	0	110.9
195	R	81.9	Confident	87.6	Confident	138 Å²	138	84.5 Å²	84.5	52%	0.521	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.2	134.9	178.3	-174.8	-179.1	-71.5	173.2	-2.1	109.4	A153 E156 K193	A153-R195 HydrophobicContact CB-CG 4.35Å; E156-R195 IonicContact OE2-NH2 2.71Å; K193-R195 PolarHBondContact O-N 3.48Å
196	P	84.2	Confident	86.9	Confident	32 Å²	32	80.4 Å²	80.4	21%	0.208	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-65.7	157.3	174.3	32.6	-41.1	0	0	0	111.3	V149 L150 A153 M198	V149-P196 HydrophobicContact CG1-CB 4.36Å; V149-P196 HydrophobicContact CG1-CG 3.84Å; L150-P196 HydrophobicContact CD2-CB 3.97Å; L150-P196 HydrophobicContact CD2-CG 3.9Å; A153-P196 HydrophobicContact CB-CG 3.91Å; P196-M198 PolarHBondContact O-N 2.94Å
197	P	83.8	Confident	86.3	Confident	122 Å²	122	84.9 Å²	84.9	79%	0.792	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-56.9	131.2	168.9	-21.4	32.4	0	0	0	111
198	M	83.4	Confident	85.8	Confident	28 Å²	28	89.3 Å²	89.3	14%	0.138	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-90	143.7	177.2	-60.4	-62.3	-67.3	0	0	110.2	A153 K154 P196 T202 Q203	A153-M198 HydrophobicContact CB-SD 3.82Å; K154-M198 HydrophobicContact CB-CE 4.25Å; K154-M198 HydrophobicContact CG-CE 3.47Å; K154-M198 VanDerWaalsContact CG-CE 3.47Å; P196-M198 PolarHBondContact O-N 2.94Å; M198-T202 HydrophobicContact CE-CG2 3.33Å; M198-Q203 HydrophobicContact CB-CG 4.14Å; M198-Q203 PolarHBondContact O-NE2 3.2Å
199	D	84.4	Confident	84.9	Confident	62 Å²	62	88.6 Å²	88.6	33%	0.332	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-65.2	154.9	173.4	61.9	78.6	0	0	0	112.2	K154 Q201 T202 Q203	K154-D199 WeakPolarHBondContact CE-OD2 3.36Å; K154-D199 IonicContact NZ-OD2 3.99Å; K154-D199 PolarHBondContact NZ-OD2 3.5Å; D199-Q201 PolarHBondContact O-N 3.05Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.29Å; D199-Q201 PolarHBondContact OD1-N 2.84Å; D199-T202 VanDerWaalsContact CG-OG1 3.24Å; D199-T202 PolarHBondContact O-N 2.65Å; D199-T202 VanDerWaalsContact O-N 3.16Å; D199-T202 PolarHBondContact OD1-N 3.01Å; D199-T202 PolarHBondContact OD1-OG1 3.23Å; D199-T202 PolarHBondContact OD2-OG1 3.3Å; D199-Q203 WeakPolarHBondContact O-CG 3.48Å; D199-Q203 PolarHBondContact O-N 2.87Å
200	K	84.1	Confident	84.2	Confident	182 Å²	182	91.3 Å²	91.3	79%	0.791	44%	0.438	S	S	*	.	H	α-helix	trans	-56.8	-34	-177.7	-67.8	-175.6	179	179.6	0	112.5	Q203 L204	K200-Q203 PolarHBondContact O-N 3.39Å; K200-L204 WeakPolarHBondContact O-CB 3.33Å; K200-L204 PolarHBondContact O-N 3.23Å
201	Q	80.6	Confident	83.7	Confident	138 Å²	138	95.6 Å²	95.6	65%	0.645	46%	0.461	S	S	*	.	H	α-helix	trans	-69.9	-40.8	-178.5	-174.5	167.2	-16.2	0	0	111.3	D199 L204 Q205	D199-Q201 PolarHBondContact O-N 3.05Å; D199-Q201 WeakPolarHBondContact OD1-CB 3.29Å; D199-Q201 PolarHBondContact OD1-N 2.84Å; Q201-L204 PolarHBondContact O-N 2.78Å; Q201-Q205 WeakPolarHBondContact O-CG 3.44Å; Q201-Q205 PolarHBondContact O-N 3.41Å
202	T	79.8	Confident	83.1	Confident	6 Å²	6	99 Å²	99	4%	0.037	48%	0.482	C	S	.	.	H	α-helix	trans	-66.2	-41.5	173.4	-50.8	0	0	0	0	111.1	K154 M198 D199 L204 Q205 L206	K154-T202 WeakPolarHBondContact CE-OG1 3.34Å; K154-T202 HydrophobicContact CG-CG2 4.22Å; M198-T202 HydrophobicContact CE-CG2 3.33Å; D199-T202 VanDerWaalsContact CG-OG1 3.24Å; D199-T202 PolarHBondContact O-N 2.65Å; D199-T202 VanDerWaalsContact O-N 3.16Å; D199-T202 PolarHBondContact OD1-N 3.01Å; D199-T202 PolarHBondContact OD1-OG1 3.23Å; D199-T202 PolarHBondContact OD2-OG1 3.3Å; T202-L204 VanDerWaalsContact C-N 3.3Å; T202-L204 PolarHBondContact O-N 2.94Å; T202-Q205 PolarHBondContact O-N 3.38Å; T202-L206 HydrophobicContact CG2-CD1 4.29Å; T202-L206 VanDerWaalsContact O-CG 3.27Å; T202-L206 WeakPolarHBondContact O-CG 3.48Å; T202-L206 PolarHBondContact O-N 2.88Å; T202-L206 VanDerWaalsContact O-N 3.08Å
203	Q	84.5	Confident	82.2	Confident	96 Å²	96	96.2 Å²	96.2	45%	0.449	48%	0.48	S	S	.	.	H	α-helix	trans	-60.6	-39.6	174.6	-65.4	179.6	36.6	0	0	112.3	M198 D199 K200 L206 K207	M198-Q203 HydrophobicContact CB-CG 4.14Å; M198-Q203 PolarHBondContact O-NE2 3.2Å; D199-Q203 WeakPolarHBondContact O-CG 3.48Å; D199-Q203 PolarHBondContact O-N 2.87Å; K200-Q203 PolarHBondContact O-N 3.39Å; Q203-L206 PolarHBondContact O-N 3.22Å; Q203-K207 WeakPolarHBondContact O-CG 3.42Å; Q203-K207 PolarHBondContact O-N 2.99Å; Q203-K207 VanDerWaalsContact O-N 3.09Å
204	L	85.3	Confident	81.2	Confident	101 Å²	101	94.8 Å²	94.8	53%	0.529	48%	0.483	S	S	.	.	H	α-helix	trans	-66.4	-43.4	176.7	-174.9	65.7	0	0	0	111.7	K200 Q201 T202 L206 K207 L208	K200-L204 WeakPolarHBondContact O-CB 3.33Å; K200-L204 PolarHBondContact O-N 3.23Å; Q201-L204 PolarHBondContact O-N 2.78Å; T202-L204 VanDerWaalsContact C-N 3.3Å; T202-L204 PolarHBondContact O-N 2.94Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 PolarHBondContact O-N 2.82Å; L204-K207 PolarHBondContact O-N 3.49Å; L204-L208 HydrophobicContact CG-CD1 4.2Å; L204-L208 WeakPolarHBondContact O-CG 3.38Å; L204-L208 PolarHBondContact O-N 3.44Å
205	Q	81.3	Confident	80.1	Confident	94 Å²	94	92.2 Å²	92.2	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-58.7	-38.9	175.7	-75.7	179.2	-7.4	0	0	112.3	Q201 T202 R209	Q201-Q205 WeakPolarHBondContact O-CG 3.44Å; Q201-Q205 PolarHBondContact O-N 3.41Å; T202-Q205 PolarHBondContact O-N 3.38Å; Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 PolarHBondContact O-N 3.02Å
206	L	80.1	Confident	78.4	Confident	23 Å²	23	96.5 Å²	96.5	12%	0.12	51%	0.507	C	S	.	.	H	α-helix	trans	-67.8	-47.7	177.5	-68.2	166.8	0	0	0	112	V157 T202 Q203 L204 L208 R209 D210	V157-L206 HydrophobicContact CB-CD1 3.84Å; V157-L206 HydrophobicContact CB-CD2 3.83Å; V157-L206 HydrophobicContact CB-CG 4.44Å; V157-L206 HydrophobicContact CG1-CD1 3.34Å; V157-L206 HydrophobicContact CG1-CD2 3.43Å; V157-L206 VanDerWaalsContact CG1-CD2 3.43Å; V157-L206 HydrophobicContact CG1-CG 3.96Å; V157-L206 HydrophobicContact CG2-CD1 4.49Å; V157-L206 WeakPolarHBondContact O-CD2 3.18Å; T202-L206 HydrophobicContact CG2-CD1 4.29Å; T202-L206 VanDerWaalsContact O-CG 3.27Å; T202-L206 WeakPolarHBondContact O-CG 3.48Å; T202-L206 PolarHBondContact O-N 2.88Å; T202-L206 VanDerWaalsContact O-N 3.08Å; Q203-L206 PolarHBondContact O-N 3.22Å; L204-L206 VanDerWaalsContact C-N 3.27Å; L204-L206 PolarHBondContact O-N 2.82Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L206-L208 PolarHBondContact O-N 3.41Å; L206-R209 PolarHBondContact O-N 3Å; L206-R209 VanDerWaalsContact O-N 3.15Å; L206-D210 VanDerWaalsContact O-CG 3.29Å; L206-D210 PolarHBondContact O-N 2.83Å
207	K	83.1	Confident	78.1	Confident	136 Å²	136	99.8 Å²	99.8	59%	0.591	52%	0.522	S	S	*	.	H	α-helix	trans	-55.9	-46.3	175.1	-75.3	179.5	177.6	-173.9	0	111.9	Q203 L204 D210 L211	Q203-K207 WeakPolarHBondContact O-CG 3.42Å; Q203-K207 PolarHBondContact O-N 2.99Å; Q203-K207 VanDerWaalsContact O-N 3.09Å; L204-K207 PolarHBondContact O-N 3.49Å; K207-D210 PolarHBondContact O-N 3.45Å; K207-L211 VanDerWaalsContact O-CG 3.25Å; K207-L211 WeakPolarHBondContact O-CG 3.26Å; K207-L211 PolarHBondContact O-N 3.47Å
208	L	83.1	Confident	77.8	Confident	93 Å²	93	98.6 Å²	98.6	49%	0.487	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-39.5	178	-70.2	172.3	0	0	0	112.1	L204 L206 M212	L204-L208 HydrophobicContact CG-CD1 4.2Å; L204-L208 WeakPolarHBondContact O-CG 3.38Å; L204-L208 PolarHBondContact O-N 3.44Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L206-L208 PolarHBondContact O-N 3.41Å; L208-M212 WeakPolarHBondContact O-CG 3.37Å; L208-M212 PolarHBondContact O-N 3.06Å
209	R	77.6	Confident	77.5	Confident	65 Å²	65	102.5 Å²	102.5	25%	0.245	53%	0.528	C	S	.	.	H	α-helix	trans	-64.7	-45.1	176.4	-171.1	-173.3	78.3	149.5	-5	112.1	V157 Q158 L159 Q205 L206 L211 M212 N213	V157-R209 PolarHBondContact O-NH2 3.11Å; Q158-R209 PolarHBondContact O-NH1 3.01Å; L159-R209 PolarHBondContact O-NH2 3.48Å; Q205-R209 WeakPolarHBondContact O-CB 3.37Å; Q205-R209 PolarHBondContact O-N 3.02Å; L206-R209 PolarHBondContact O-N 3Å; L206-R209 VanDerWaalsContact O-N 3.15Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.03Å; R209-M212 PolarHBondContact O-N 2.9Å; R209-N213 PolarHBondContact O-N 2.98Å; R209-N213 PolarHBondContact O-ND2 2.8Å
210	D	79.5	Confident	77.1	Confident	80 Å²	80	104.9 Å²	104.9	43%	0.428	54%	0.54	S	S	.	.	H	α-helix	trans	-63.7	-41.6	-179.8	-64.7	-20	0	0	0	110.2	L206 K207 M212 N213 T214	L206-D210 VanDerWaalsContact O-CG 3.29Å; L206-D210 PolarHBondContact O-N 2.83Å; K207-D210 PolarHBondContact O-N 3.45Å; D210-M212 PolarHBondContact O-N 3.03Å; D210-N213 PolarHBondContact O-N 2.88Å; D210-T214 WeakPolarHBondContact O-CB 3.47Å; D210-T214 VanDerWaalsContact O-CG2 3.27Å; D210-T214 WeakPolarHBondContact O-CG2 3.49Å; D210-T214 PolarHBondContact O-N 3.21Å; D210-T214 PolarHBondContact O-OG1 3.36Å
211	L	83.1	Confident	76.7	Confident	110 Å²	110	100.1 Å²	100.1	58%	0.576	52%	0.524	S	S	*	.	H	α-helix	trans	-57.6	-45.3	172.2	-71.2	168.7	0	0	0	112.7	K207 R209 N213 T214	K207-L211 VanDerWaalsContact O-CG 3.25Å; K207-L211 WeakPolarHBondContact O-CG 3.26Å; K207-L211 PolarHBondContact O-N 3.47Å; R209-L211 VanDerWaalsContact C-N 3.31Å; R209-L211 PolarHBondContact O-N 3.03Å; L211-N213 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 3.19Å; L211-T214 WeakPolarHBondContact CA-OG1 3.44Å; L211-T214 PolarHBondContact O-N 3.15Å; L211-T214 PolarHBondContact O-OG1 3.38Å
212	M	80	Confident	76.4	Confident	149 Å²	149	97.5 Å²	97.5	73%	0.734	52%	0.516	S	S	*	.	H	α-helix	trans	-66.6	-33.4	177.8	-72.3	-174.8	-66.2	0	0	112.9	L208 R209 D210	L208-M212 WeakPolarHBondContact O-CG 3.37Å; L208-M212 PolarHBondContact O-N 3.06Å; R209-M212 PolarHBondContact O-N 2.9Å; D210-M212 PolarHBondContact O-N 3.03Å
213	N	72.3	Confident	76.2	Confident	118 Å²	118	104.1 Å²	104.1	63%	0.631	55%	0.55	S	S	*	*	H	α-helix	trans	-79.9	-24.9	178	-72.7	-23.7	0	0	0	112.9	R209 D210 L211	R209-N213 PolarHBondContact O-N 2.98Å; R209-N213 PolarHBondContact O-ND2 2.8Å; D210-N213 PolarHBondContact O-N 2.88Å; L211-N213 VanDerWaalsContact C-N 3.34Å; L211-N213 PolarHBondContact O-N 3.19Å
214	T	70.6	Confident	75.5	Confident	98 Å²	98	104.7 Å²	104.7	60%	0.601	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-3.4	-178.1	53.2	0	0	0	0	114.8	D210 L211 L216	D210-T214 WeakPolarHBondContact O-CB 3.47Å; D210-T214 VanDerWaalsContact O-CG2 3.27Å; D210-T214 WeakPolarHBondContact O-CG2 3.49Å; D210-T214 PolarHBondContact O-N 3.21Å; D210-T214 PolarHBondContact O-OG1 3.36Å; L211-T214 WeakPolarHBondContact CA-OG1 3.44Å; L211-T214 PolarHBondContact O-N 3.15Å; L211-T214 PolarHBondContact O-OG1 3.38Å; T214-L216 PolarHBondContact O-N 2.86Å
215	G	58.9	Low	74.7	Confident	66 Å²	66	105 Å²	105	68%	0.68	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.4	47.4	165.4	0	0	0	0	0	115.9
216	L	46.8	Very low	74.1	Confident	228 Å²	228	106 Å²	106	100%	1.194	57%	0.572	S	S	*	*			trans	-85.2	0	151.2	-72.4	173.6	0	0	0	108.3	T214	T214-L216 PolarHBondContact O-N 2.86Å

Retrieved 216 of 216 residues in 345.7 ms (Link to these results)

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