A0A077YYS1_TRITR Loading...

Zinc metalloproteinase nas 13

AlphaFold DB , UniProt , Accession A0A077YYS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 168 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.3	Very low	57.8	Low	243 Å²	243	122.6 Å²	122.6	100%	1.197	68%	0.682	S	S	*	*				0	87.7	0	-70.9	171.6	148	0	0	107.5
2	T	50.1	Low	58.4	Low	150 Å²	150	121.1 Å²	121.1	92%	0.92	67%	0.67	S	S	*	*			trans	-142.9	84.7	-171.3	47.5	0	0	0	0	107.4
3	G	50.8	Low	58.9	Low	48 Å²	48	116.8 Å²	116.8	50%	0.495	65%	0.65	S	S	.	*			trans	-140.7	-16.4	-171.5	0	0	0	0	0	116.7
4	D	61.2	Low	59.2	Low	151 Å²	151	115.9 Å²	115.9	81%	0.807	64%	0.641	S	S	*	*	S	Bend	trans	-93.8	-11	-167.2	-82.8	-30.6	0	0	0	116.2
5	S	58.8	Low	59.7	Low	99 Å²	99	114.2 Å²	114.2	69%	0.692	63%	0.629	S	S	*	*	H	α-helix	trans	-82.1	-26.5	-169.9	-160.4	0	0	0	0	113.9
6	T	58.7	Low	60	Low	85 Å²	85	112.6 Å²	112.6	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-77.5	-36.2	-174.5	51	0	0	0	0	112.6	S8 V9 F10	T6-S8 VanDerWaalsContact C-N 3.33Å; T6-S8 PolarHBondContact O-N 3.44Å; T6-V9 PolarHBondContact O-N 2.63Å; T6-F10 WeakPolarHBondContact O-CD2 3.42Å; T6-F10 PolarHBondContact O-N 3.3Å; T6-F10 VanDerWaalsContact O-N 3.13Å
7	Y	58.9	Low	60.2	Low	167 Å²	167	115.5 Å²	115.5	66%	0.655	63%	0.629	S	S	*	*	H	α-helix	trans	-64.8	-33.9	-179.3	-74.5	-81.2	0	0	0	113.4	F10 L11	Y7-F10 PolarHBondContact O-N 3.17Å; Y7-L11 WeakPolarHBondContact O-CB 3.25Å; Y7-L11 WeakPolarHBondContact O-CG 3.37Å; Y7-L11 PolarHBondContact O-N 3.12Å
8	S	62	Low	60.5	Low	71 Å²	71	114.1 Å²	114.1	50%	0.497	63%	0.628	S	S	.	*	H	α-helix	trans	-66.4	-38.8	177.7	-171.4	0	0	0	0	112.1	T6 L12	T6-S8 VanDerWaalsContact C-N 3.33Å; T6-S8 PolarHBondContact O-N 3.44Å; S8-L12 WeakPolarHBondContact O-CB 3.34Å; S8-L12 PolarHBondContact O-N 3.5Å
9	V	63	Low	60.8	Low	90 Å²	90	116.9 Å²	116.9	55%	0.545	63%	0.634	S	S	.	*	H	α-helix	trans	-73.2	-36.2	178.2	-174.1	0	0	0	0	111.4	T6 T13	T6-V9 PolarHBondContact O-N 2.63Å; V9-T13 VanDerWaalsContact O-CG2 3.26Å; V9-T13 WeakPolarHBondContact O-CG2 3.33Å; V9-T13 PolarHBondContact O-N 3.42Å; V9-T13 VanDerWaalsContact O-N 3.09Å; V9-T13 PolarHBondContact O-OG1 2.98Å
10	F	62.2	Low	60.8	Low	137 Å²	137	120.5 Å²	120.5	60%	0.601	64%	0.639	S	S	*	*	H	α-helix	trans	-68.8	-38.5	174.9	-81.5	-70.3	0	0	0	112.6	T6 Y7 T13 I14	T6-F10 WeakPolarHBondContact O-CD2 3.42Å; T6-F10 PolarHBondContact O-N 3.3Å; T6-F10 VanDerWaalsContact O-N 3.13Å; Y7-F10 PolarHBondContact O-N 3.17Å; F10-T13 WeakPolarHBondContact CA-OG1 3.45Å; F10-T13 PolarHBondContact O-OG1 2.65Å; F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.5Å; F10-I14 PolarHBondContact O-N 2.72Å
11	L	66.1	Low	60.7	Low	108 Å²	108	125.1 Å²	125.1	57%	0.565	65%	0.647	S	S	*	*	H	α-helix	trans	-68.8	-40.6	175.6	-79	162.1	0	0	0	112	Y7 T13 I14 I15	Y7-L11 WeakPolarHBondContact O-CB 3.25Å; Y7-L11 WeakPolarHBondContact O-CG 3.37Å; Y7-L11 PolarHBondContact O-N 3.12Å; L11-T13 PolarHBondContact O-N 3.26Å; L11-I14 PolarHBondContact O-N 3.28Å; L11-I15 WeakPolarHBondContact O-CD1 3.37Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.35Å; L11-I15 VanDerWaalsContact O-N 3.11Å
12	L	65.2	Low	61.4	Low	104 Å²	104	118.9 Å²	118.9	55%	0.545	63%	0.625	S	S	.	*	H	α-helix	trans	-64.8	-38.6	177	-114.3	106.7	0	0	0	112.8	S8 I15 I16	S8-L12 WeakPolarHBondContact O-CB 3.34Å; S8-L12 PolarHBondContact O-N 3.5Å; L12-I15 PolarHBondContact O-N 3.14Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.3Å; L12-I16 PolarHBondContact O-N 3.2Å; L12-I16 VanDerWaalsContact O-N 3.1Å
13	T	64.1	Low	61.8	Low	66 Å²	66	120.4 Å²	120.4	41%	0.405	63%	0.626	S	S	.	*	H	α-helix	trans	-70.4	-35.6	179.1	50.8	0	0	0	0	112.4	V9 F10 L11 I16 M17	V9-T13 VanDerWaalsContact O-CG2 3.26Å; V9-T13 WeakPolarHBondContact O-CG2 3.33Å; V9-T13 PolarHBondContact O-N 3.42Å; V9-T13 VanDerWaalsContact O-N 3.09Å; V9-T13 PolarHBondContact O-OG1 2.98Å; F10-T13 WeakPolarHBondContact CA-OG1 3.45Å; F10-T13 PolarHBondContact O-OG1 2.65Å; L11-T13 PolarHBondContact O-N 3.26Å; T13-I16 PolarHBondContact O-N 3.05Å; T13-M17 WeakPolarHBondContact O-CG 3.16Å; T13-M17 PolarHBondContact O-N 3.29Å
14	I	64	Low	62	Low	103 Å²	103	121.3 Å²	121.3	53%	0.528	64%	0.635	S	S	.	*	H	α-helix	trans	-65.9	-40.8	174	-68.8	171.1	0	0	0	111.1	F10 L11 M17 C18	F10-I14 VanDerWaalsContact O-CG1 3.25Å; F10-I14 WeakPolarHBondContact O-CG1 3.5Å; F10-I14 PolarHBondContact O-N 2.72Å; L11-I14 PolarHBondContact O-N 3.28Å; I14-M17 PolarHBondContact O-N 3.15Å; I14-C18 PolarHBondContact O-N 3.28Å; I14-C18 VanDerWaalsContact O-N 3.14Å; I14-C18 PolarHBondContact O-SG 3Å; I14-C18 VanDerWaalsContact O-SG 3.32Å
15	I	66	Low	61.6	Low	91 Å²	91	120.3 Å²	120.3	47%	0.467	64%	0.635	S	S	.	*	H	α-helix	trans	-64.4	-43.6	178.2	-69.1	169.6	0	0	0	110.8	L11 L12 M17 C18 F19	L11-I15 WeakPolarHBondContact O-CD1 3.37Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.35Å; L11-I15 VanDerWaalsContact O-N 3.11Å; L12-I15 PolarHBondContact O-N 3.14Å; I15-M17 PolarHBondContact O-N 3.05Å; I15-C18 PolarHBondContact O-N 2.84Å; I15-F19 HydrophobicContact CG2-CD2 3.76Å; I15-F19 HydrophobicContact CG2-CE2 3.61Å; I15-F19 WeakPolarHBondContact O-CD2 3.36Å; I15-F19 PolarHBondContact O-N 2.92Å
16	I	64.9	Low	61.3	Low	88 Å²	88	120.4 Å²	120.4	45%	0.451	64%	0.635	S	S	.	*	H	α-helix	trans	-62.5	-43.6	176.3	-67.8	167.5	0	0	0	110.5	L12 T13 C18 F19 Y20	L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.3Å; L12-I16 PolarHBondContact O-N 3.2Å; L12-I16 VanDerWaalsContact O-N 3.1Å; T13-I16 PolarHBondContact O-N 3.05Å; I16-C18 PolarHBondContact O-N 2.83Å; I16-F19 PolarHBondContact O-N 3.22Å; I16-Y20 HydrophobicContact CG2-CD2 3.73Å; I16-Y20 HydrophobicContact CG2-CE2 3.76Å; I16-Y20 VanDerWaalsContact O-CD2 3.28Å; I16-Y20 WeakPolarHBondContact O-CD2 3.44Å; I16-Y20 PolarHBondContact O-N 3.11Å
17	M	63.6	Low	61	Low	163 Å²	163	125.7 Å²	125.7	80%	0.803	66%	0.656	S	S	*	*	H	α-helix	trans	-63.9	-25.5	177.6	-68.2	-80.4	-118.8	0	0	113.7	T13 I14 I15	T13-M17 WeakPolarHBondContact O-CG 3.16Å; T13-M17 PolarHBondContact O-N 3.29Å; I14-M17 PolarHBondContact O-N 3.15Å; I15-M17 PolarHBondContact O-N 3.05Å
18	C	65.6	Low	61.2	Low	90 Å²	90	122.8 Å²	122.8	61%	0.608	66%	0.656	S	S	*	*	H	α-helix	trans	-80.5	-28.4	176.4	-69.6	0	0	0	0	114	I14 I15 I16	I14-C18 PolarHBondContact O-N 3.28Å; I14-C18 VanDerWaalsContact O-N 3.14Å; I14-C18 PolarHBondContact O-SG 3Å; I14-C18 VanDerWaalsContact O-SG 3.32Å; I15-C18 PolarHBondContact O-N 2.84Å; I16-C18 PolarHBondContact O-N 2.83Å
19	F	65.8	Low	61.2	Low	168 Å²	168	124.5 Å²	124.5	74%	0.737	66%	0.664	S	S	*	*	H	α-helix	trans	-91.4	-22.1	-177.6	-74.2	-66.5	0	0	0	114.3	I15 I16 R21	I15-F19 HydrophobicContact CG2-CD2 3.76Å; I15-F19 HydrophobicContact CG2-CE2 3.61Å; I15-F19 WeakPolarHBondContact O-CD2 3.36Å; I15-F19 PolarHBondContact O-N 2.92Å; I16-F19 PolarHBondContact O-N 3.22Å; F19-R21 VanDerWaalsContact C-N 3.3Å; F19-R21 PolarHBondContact O-N 2.9Å
20	Y	60.5	Low	61.5	Low	188 Å²	188	125.9 Å²	125.9	74%	0.737	67%	0.668	S	S	*	*			trans	-91.3	55.9	173.8	-71.3	-90.3	0	0	0	111.7	I16 P22	I16-Y20 HydrophobicContact CG2-CD2 3.73Å; I16-Y20 HydrophobicContact CG2-CE2 3.76Å; I16-Y20 VanDerWaalsContact O-CD2 3.28Å; I16-Y20 WeakPolarHBondContact O-CD2 3.44Å; I16-Y20 PolarHBondContact O-N 3.11Å; Y20-P22 WeakPolarHBondContact O-CD 3.34Å
21	R	59.8	Low	62.1	Low	217 Å²	217	123.5 Å²	123.5	82%	0.819	67%	0.666	S	S	*	*			trans	-85.5	111.5	165.1	-126.1	-176.6	-174.5	-170.2	2.2	107.7	F19 I23	F19-R21 VanDerWaalsContact C-N 3.3Å; F19-R21 PolarHBondContact O-N 2.9Å; R21-I23 PolarHBondContact O-N 3.43Å; R21-I23 VanDerWaalsContact O-N 3.1Å
22	P	58	Low	62.9	Low	113 Å²	113	123 Å²	123	73%	0.734	67%	0.669	S	S	*	*			trans	-66.3	117.6	-177.1	25.4	-28.9	0	0	0	109.1	Y20 G24	Y20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-G24 PolarHBondContact O-N 3.21Å; P22-G24 VanDerWaalsContact O-N 3.11Å
23	I	58.8	Low	63.6	Low	182 Å²	182	122.9 Å²	122.9	93%	0.933	67%	0.669	S	S	*	*	S	Bend	trans	-70	99.4	170	-62.1	162.4	0	0	0	106	R21	R21-I23 PolarHBondContact O-N 3.43Å; R21-I23 VanDerWaalsContact O-N 3.1Å
24	G	54.4	Low	64.6	Low	67 Å²	67	121.4 Å²	121.4	69%	0.691	66%	0.664	S	S	*	*			trans	144.9	74	173.9	0	0	0	0	0	113.8	P22	P22-G24 PolarHBondContact O-N 3.21Å; P22-G24 VanDerWaalsContact O-N 3.11Å
25	T	52.5	Low	65.9	Low	130 Å²	130	125.5 Å²	125.5	80%	0.798	67%	0.672	S	S	*	*			trans	-132.2	124.6	154.2	46.2	0	0	0	0	109
26	S	53.6	Low	67	Low	100 Å²	100	123.9 Å²	123.9	70%	0.699	67%	0.669	S	S	*	*			trans	-37.2	145.5	166.6	-178.1	0	0	0	0	111.5	T28	S26-T28 PolarHBondContact O-N 3.24Å
27	M	53	Low	68.2	Low	196 Å²	196	124.2 Å²	124.2	97%	0.966	67%	0.671	S	S	*	*			trans	-59.6	80	173.1	-65.6	-166.7	178.1	0	0	110.1	V29	M27-V29 PolarHBondContact O-N 2.82Å
28	T	61.2	Low	69.6	Low	107 Å²	107	122.6 Å²	122.6	66%	0.656	66%	0.662	S	S	*	*			trans	-73.2	114.8	166.4	56	0	0	0	0	105.4	S26 N30	S26-T28 PolarHBondContact O-N 3.24Å; T28-N30 PolarHBondContact O-N 2.89Å; T28-N30 VanDerWaalsContact O-N 3.17Å
29	V	62.8	Low	70.8	Confident	107 Å²	107	124.2 Å²	124.2	65%	0.648	66%	0.664	S	S	*	*			trans	-47.3	125.8	165.4	-101.8	0	0	0	0	107.6	M27 P31	M27-V29 PolarHBondContact O-N 2.82Å; V29-P31 VanDerWaalsContact O-N 3.1Å
30	N	69.2	Low	72.1	Confident	118 Å²	118	119.6 Å²	119.6	63%	0.631	64%	0.643	S	S	*	*			trans	-47.6	121.7	-179.7	-75.4	-52.4	0	0	0	109	T28 P32 L33 A34	T28-N30 PolarHBondContact O-N 2.89Å; T28-N30 VanDerWaalsContact O-N 3.17Å; N30-P32 WeakPolarHBondContact O-CD 3.35Å; N30-L33 HydrophobicContact CB-CB 4.46Å; N30-L33 WeakPolarHBondContact O-CB 3.44Å; N30-L33 PolarHBondContact O-N 3.23Å; N30-A34 PolarHBondContact O-N 3.46Å
31	P	74.8	Confident	73.6	Confident	87 Å²	87	114.9 Å²	114.9	57%	0.565	63%	0.631	S	S	*	*	H	α-helix	trans	-49.1	-35.6	-174.2	-26.9	31.7	0	0	0	115	V29 L33 R35	V29-P31 VanDerWaalsContact O-N 3.1Å; P31-L33 PolarHBondContact O-N 3.27Å; P31-R35 PolarHBondContact O-N 3.07Å
32	P	82.8	Confident	75.2	Confident	98 Å²	98	109.3 Å²	109.3	64%	0.636	62%	0.621	S	S	*	*	H	α-helix	trans	-63.1	-37.7	174.4	-24	35.2	0	0	0	114.3	N30 R35 S36	N30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-R35 PolarHBondContact O-N 3.02Å; P32-S36 PolarHBondContact O-N 3.02Å; P32-S36 VanDerWaalsContact O-N 3.08Å
33	L	80.2	Confident	76.8	Confident	101 Å²	101	107.2 Å²	107.2	53%	0.529	60%	0.604	S	S	.	*	H	α-helix	trans	-72	-37.9	-179.2	-177.5	63	0	0	0	111.6	N30 P31 R35 S36 L37	N30-L33 HydrophobicContact CB-CB 4.46Å; N30-L33 WeakPolarHBondContact O-CB 3.44Å; N30-L33 PolarHBondContact O-N 3.23Å; P31-L33 PolarHBondContact O-N 3.27Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 3.4Å; L33-S36 PolarHBondContact O-N 2.82Å; L33-S36 PolarHBondContact O-OG 2.96Å; L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 PolarHBondContact O-N 2.91Å
34	A	85.5	Confident	78.5	Confident	36 Å²	36	99.8 Å²	99.8	30%	0.298	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-42.8	175	0	0	0	0	0	111.2	N30 L37 Q38	N30-A34 PolarHBondContact O-N 3.46Å; A34-L37 PolarHBondContact O-N 2.04Å; A34-Q38 WeakPolarHBondContact O-CB 3.34Å; A34-Q38 VanDerWaalsContact O-CG 3.3Å; A34-Q38 WeakPolarHBondContact O-CG 3.03Å; A34-Q38 PolarHBondContact O-N 2.98Å
35	R	91.1	Very high	80.4	Confident	188 Å²	188	100.5 Å²	100.5	71%	0.709	56%	0.562	S	S	*	*	H	α-helix	trans	-65.2	-43.5	176.6	-70.5	179.8	-179.2	-176	0.5	112.7	P31 P32 L33 L37 Q38 L39	P31-R35 PolarHBondContact O-N 3.07Å; P32-R35 PolarHBondContact O-N 3.02Å; L33-R35 VanDerWaalsContact C-N 3.3Å; L33-R35 PolarHBondContact O-N 3.4Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.4Å; R35-Q38 PolarHBondContact O-N 2.83Å; R35-L39 PolarHBondContact O-N 3.24Å
36	S	88.2	Confident	82.4	Confident	58 Å²	58	99.1 Å²	99.1	41%	0.406	55%	0.546	S	S	.	.	H	α-helix	trans	-66.5	-37	179.3	67.1	0	0	0	0	112.2	P32 L33 L39 K40	P32-S36 PolarHBondContact O-N 3.02Å; P32-S36 VanDerWaalsContact O-N 3.08Å; L33-S36 PolarHBondContact O-N 2.82Å; L33-S36 PolarHBondContact O-OG 2.96Å; S36-L39 PolarHBondContact O-N 3.14Å; S36-K40 WeakPolarHBondContact O-CB 3.4Å; S36-K40 PolarHBondContact O-N 3.21Å
37	L	90.8	Very high	84.3	Confident	95 Å²	95	104 Å²	104	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-67.9	-41.6	174.9	-173.6	62.2	0	0	0	112	L33 A34 R35 L39 K40 N41	L33-L37 WeakPolarHBondContact O-CB 3.43Å; L33-L37 PolarHBondContact O-N 2.91Å; A34-L37 PolarHBondContact O-N 2.04Å; R35-L37 VanDerWaalsContact C-N 3.34Å; R35-L37 PolarHBondContact O-N 3.4Å; L37-L39 PolarHBondContact O-N 3.02Å; L37-K40 PolarHBondContact O-N 3.23Å; L37-N41 WeakPolarHBondContact O-CB 3Å; L37-N41 PolarHBondContact O-N 3.1Å; L37-N41 PolarHBondContact O-ND2 2.81Å; L37-N41 PolarHBondContact O-OD1 3.36Å
38	Q	92.4	Very high	86.2	Confident	128 Å²	128	104.4 Å²	104.4	60%	0.598	54%	0.54	S	S	*	.	H	α-helix	trans	-59.5	-45.7	173.6	-76.9	176.2	-19.5	0	0	111.6	A34 R35 K40 N41 T42	A34-Q38 WeakPolarHBondContact O-CB 3.34Å; A34-Q38 VanDerWaalsContact O-CG 3.3Å; A34-Q38 WeakPolarHBondContact O-CG 3.03Å; A34-Q38 PolarHBondContact O-N 2.98Å; R35-Q38 PolarHBondContact O-N 2.83Å; Q38-K40 PolarHBondContact O-N 3.07Å; Q38-N41 PolarHBondContact O-N 3.41Å; Q38-T42 PolarHBondContact O-N 2.94Å; Q38-T42 PolarHBondContact O-OG1 3.16Å; Q38-T42 VanDerWaalsContact O-OG1 3.06Å
39	L	91.6	Very high	87.6	Confident	125 Å²	125	100.3 Å²	100.3	65%	0.654	51%	0.514	S	S	*	.	H	α-helix	trans	-60.9	-44.6	176.2	-178.9	65.5	0	0	0	111.6	R35 S36 L37 N41 T42 L43	R35-L39 PolarHBondContact O-N 3.24Å; S36-L39 PolarHBondContact O-N 3.14Å; L37-L39 PolarHBondContact O-N 3.02Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.21Å; L39-T42 PolarHBondContact O-N 3.31Å; L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 3.05Å
40	K	92.4	Very high	89	Confident	70 Å²	70	97.1 Å²	97.1	30%	0.304	50%	0.499	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174.9	179.7	166.8	-168.5	-174.3	0	111.1	S36 L37 Q38 L43 C44 Y96	S36-K40 WeakPolarHBondContact O-CB 3.4Å; S36-K40 PolarHBondContact O-N 3.21Å; L37-K40 PolarHBondContact O-N 3.23Å; Q38-K40 PolarHBondContact O-N 3.07Å; K40-L43 PolarHBondContact O-N 3.28Å; K40-C44 VanDerWaalsContact O-CB 3.31Å; K40-C44 WeakPolarHBondContact O-CB 3.5Å; K40-C44 PolarHBondContact O-N 2.92Å; K40-C44 PolarHBondContact O-SG 2.81Å; K40-Y96 HydrophobicContact CB-CE1 4.12Å; K40-Y96 HydrophobicContact CD-CE1 4.01Å; K40-Y96 WeakPolarHBondContact CE-O 3.33Å; K40-Y96 HydrophobicContact CG-CE1 3.62Å
41	N	92.1	Very high	90	Very high	90 Å²	90	99.2 Å²	99.2	48%	0.481	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-43.9	-178.9	-68.4	-12.7	0	0	0	112.3	L37 Q38 L39 C44 S45	L37-N41 WeakPolarHBondContact O-CB 3Å; L37-N41 PolarHBondContact O-N 3.1Å; L37-N41 PolarHBondContact O-ND2 2.81Å; L37-N41 PolarHBondContact O-OD1 3.36Å; Q38-N41 PolarHBondContact O-N 3.41Å; L39-N41 VanDerWaalsContact C-N 3.35Å; L39-N41 PolarHBondContact O-N 3.21Å; N41-C44 PolarHBondContact O-N 3.17Å; N41-S45 VanDerWaalsContact O-CB 3.29Å; N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.38Å; N41-S45 PolarHBondContact O-OG 3.43Å
42	T	94	Very high	90.8	Very high	100 Å²	100	96.1 Å²	96.1	61%	0.613	48%	0.48	S	S	*	.	H	α-helix	trans	-63.1	-42.1	176.5	-57.5	0	0	0	0	111.7	Q38 L39 S45 H46	Q38-T42 PolarHBondContact O-N 2.94Å; Q38-T42 PolarHBondContact O-OG1 3.16Å; Q38-T42 VanDerWaalsContact O-OG1 3.06Å; L39-T42 PolarHBondContact O-N 3.31Å; T42-S45 PolarHBondContact O-OG 2.03Å; T42-H46 PolarHBondContact O-N 3.15Å
43	L	91.9	Very high	91	Very high	69 Å²	69	93 Å²	93	36%	0.361	46%	0.457	S	S	.	.	H	α-helix	trans	-62.5	-51.3	175.5	-179.6	66.8	0	0	0	110.8	L39 K40 S45 H46 I49 Y96	L39-L43 WeakPolarHBondContact O-CB 3.43Å; L39-L43 PolarHBondContact O-N 3.05Å; K40-L43 PolarHBondContact O-N 3.28Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.12Å; L43-H46 VanDerWaalsContact O-CB 3.23Å; L43-H46 WeakPolarHBondContact O-CB 3.49Å; L43-H46 PolarHBondContact O-N 3.12Å; L43-H46 VanDerWaalsContact O-N 3.12Å; L43-I49 HydrophobicContact CD1-CD1 3.44Å; L43-I49 VanDerWaalsContact CD1-CD1 3.44Å; L43-I49 HydrophobicContact CG-CD1 3.9Å; L43-I49 WeakPolarHBondContact O-CD1 3.49Å; L43-Y96 HydrophobicContact CD2-CD1 3.64Å; L43-Y96 HydrophobicContact CD2-CE1 3.79Å
44	C	93.9	Very high	91.2	Very high	25 Å²	25	96.1 Å²	96.1	17%	0.169	47%	0.469	C	S	.	.	H	α-helix	trans	-73.5	-16.9	-173.9	-61.1	0	0	0	0	114.4	K40 N41 C97	K40-C44 VanDerWaalsContact O-CB 3.31Å; K40-C44 WeakPolarHBondContact O-CB 3.5Å; K40-C44 PolarHBondContact O-N 2.92Å; K40-C44 PolarHBondContact O-SG 2.81Å; N41-C44 PolarHBondContact O-N 3.17Å; C44-C97 WeakPolarHBondContact CA-SG 3.39Å; C44-C97 HydrophobicContact CB-CB 3.58Å; C44-C97 WeakPolarHBondContact CB-SG 3.41Å; C44-C97 WeakPolarHBondContact SG-CA 3.03Å; C44-C97 WeakPolarHBondContact SG-CB 3.45Å; C44-C97 CovalentContact SG-SG 2.03Å; C44-C97 PolarHBondContact SG-SG 3.39Å
45	S	93.7	Very high	91.1	Very high	83 Å²	83	101.4 Å²	101.4	58%	0.58	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-6.4	172.2	56.6	0	0	0	0	113.6	N41 T42 L43 R47	N41-S45 VanDerWaalsContact O-CB 3.29Å; N41-S45 WeakPolarHBondContact O-CB 3.33Å; N41-S45 PolarHBondContact O-N 3.38Å; N41-S45 PolarHBondContact O-OG 3.43Å; T42-S45 PolarHBondContact O-OG 2.03Å; L43-S45 VanDerWaalsContact C-N 3.28Å; L43-S45 PolarHBondContact O-N 3.12Å; S45-R47 PolarHBondContact O-N 3.19Å
46	H	94.3	Very high	90.5	Very high	101 Å²	101	95.4 Å²	95.4	47%	0.468	47%	0.468	S	S	.	.	S	Bend	trans	-61.2	124.8	177	-174.1	-96	0	0	0	110	T42 L43 R48 I49 A50	T42-H46 PolarHBondContact O-N 3.15Å; L43-H46 VanDerWaalsContact O-CB 3.23Å; L43-H46 WeakPolarHBondContact O-CB 3.49Å; L43-H46 PolarHBondContact O-N 3.12Å; L43-H46 VanDerWaalsContact O-N 3.12Å; H46-R48 PolarHBondContact O-N 3.42Å; H46-I49 HydrophobicContact CB-CB 4.46Å; H46-I49 HydrophobicContact CB-CD1 4.24Å; H46-I49 HydrophobicContact CB-CG1 4.32Å; H46-I49 WeakPolarHBondContact O-CA 3.02Å; H46-I49 WeakPolarHBondContact O-CB 3.29Å; H46-I49 PolarHBondContact O-N 3.44Å; H46-A50 PolarHBondContact O-N 2.03Å
47	R	94	Very high	89.6	Confident	202 Å²	202	96.4 Å²	96.4	76%	0.762	47%	0.466	S	S	*	.	H	α-helix	trans	-49.9	-39.5	-169.3	-68.1	-176.8	-177.3	177.6	1.1	114.2	S45 R51	S45-R47 PolarHBondContact O-N 3.19Å; R47-R51 WeakPolarHBondContact O-CG 3.02Å; R47-R51 PolarHBondContact O-N 3.09Å; R47-R51 VanDerWaalsContact O-N 3.15Å
48	R	93.1	Very high	88.8	Confident	204 Å²	204	98.2 Å²	98.2	77%	0.77	48%	0.476	S	S	*	.	H	α-helix	trans	-66.6	-39.4	178.4	-65	-173.9	179.9	173.6	-1.5	112.3	H46 A52	H46-R48 PolarHBondContact O-N 3.42Å; R48-A52 PolarHBondContact O-N 2.89Å
49	I	92	Very high	88.5	Confident	22 Å²	22	96.3 Å²	96.3	11%	0.113	47%	0.467	C	S	.	.	H	α-helix	trans	-73.1	-44.3	179.5	-61.1	-179	0	0	0	109.5	L43 H46 R51 A52 I53 P93 C97	L43-I49 HydrophobicContact CD1-CD1 3.44Å; L43-I49 VanDerWaalsContact CD1-CD1 3.44Å; L43-I49 HydrophobicContact CG-CD1 3.9Å; L43-I49 WeakPolarHBondContact O-CD1 3.49Å; H46-I49 HydrophobicContact CB-CB 4.46Å; H46-I49 HydrophobicContact CB-CD1 4.24Å; H46-I49 HydrophobicContact CB-CG1 4.32Å; H46-I49 WeakPolarHBondContact O-CA 3.02Å; H46-I49 WeakPolarHBondContact O-CB 3.29Å; H46-I49 PolarHBondContact O-N 3.44Å; I49-R51 VanDerWaalsContact C-N 3.28Å; I49-R51 PolarHBondContact O-N 3.11Å; I49-A52 PolarHBondContact O-N 3.07Å; I49-A52 VanDerWaalsContact O-N 3.14Å; I49-I53 HydrophobicContact CG2-CD1 4.21Å; I49-I53 HydrophobicContact CG2-CG1 4.49Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 2.92Å; I49-P93 HydrophobicContact CD1-CB 3.89Å; I49-P93 HydrophobicContact CG1-CB 4.46Å; I49-C97 HydrophobicContact CG2-CB 4.33Å
50	A	90.7	Very high	88.7	Confident	40 Å²	40	90.6 Å²	90.6	33%	0.331	44%	0.438	S	S	.	.	H	α-helix	trans	-56.9	-39.4	176.8	0	0	0	0	0	113.1	H46	H46-A50 PolarHBondContact O-N 2.03Å
51	R	91.7	Very high	88.9	Confident	161 Å²	161	89.5 Å²	89.5	61%	0.608	44%	0.437	S	S	*	.	H	α-helix	trans	-66.9	-47.5	173.8	-71.3	176.4	-171.2	178.5	-0.1	112.1	R47 I49 I53 Q54 E55	R47-R51 WeakPolarHBondContact O-CG 3.02Å; R47-R51 PolarHBondContact O-N 3.09Å; R47-R51 VanDerWaalsContact O-N 3.15Å; I49-R51 VanDerWaalsContact C-N 3.28Å; I49-R51 PolarHBondContact O-N 3.11Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.19Å; R51-Q54 PolarHBondContact O-N 3.3Å; R51-E55 PolarHBondContact O-N 3.47Å
52	A	90	Very high	89.1	Confident	22 Å²	22	85.5 Å²	85.5	18%	0.182	42%	0.415	C	S	.	.	H	α-helix	trans	-59.2	-36.1	179.7	0	0	0	0	0	112.8	R48 I49 Q54 E55 Q56 A94	R48-A52 PolarHBondContact O-N 2.89Å; I49-A52 PolarHBondContact O-N 3.07Å; I49-A52 VanDerWaalsContact O-N 3.14Å; A52-Q54 VanDerWaalsContact C-N 3.28Å; A52-Q54 PolarHBondContact O-N 2.97Å; A52-E55 PolarHBondContact O-N 3.43Å; A52-Q56 PolarHBondContact O-N 3.34Å; A52-Q56 VanDerWaalsContact O-N 3.12Å; A52-A94 HydrophobicContact CB-CB 3.78Å
53	I	87.9	Confident	89.3	Confident	33 Å²	33	86.2 Å²	86.2	17%	0.169	41%	0.412	C	S	.	.	H	α-helix	trans	-57.1	-41.3	174.9	-68.7	165.4	0	0	0	111.7	I49 R51 E55 A94 C97 I98	I49-I53 HydrophobicContact CG2-CD1 4.21Å; I49-I53 HydrophobicContact CG2-CG1 4.49Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 2.92Å; R51-I53 VanDerWaalsContact C-N 3.26Å; R51-I53 PolarHBondContact O-N 3.19Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 3.19Å; I53-A94 HydrophobicContact CG1-CB 4.34Å; I53-C97 HydrophobicContact CD1-CB 3.41Å; I53-C97 VanDerWaalsContact CD1-CB 3.41Å; I53-C97 HydrophobicContact CG1-CB 4.14Å; I53-I98 HydrophobicContact CB-CG2 4.43Å; I53-I98 HydrophobicContact CG1-CG2 4.24Å; I53-I98 HydrophobicContact CG2-CG2 3.6Å
54	Q	84.4	Confident	89.5	Confident	167 Å²	167	86.5 Å²	86.5	78%	0.78	41%	0.411	S	S	*	.	H	α-helix	trans	-71	-30	-177.4	-66.2	-178.2	-34.7	0	0	112.7	R51 A52	R51-Q54 PolarHBondContact O-N 3.3Å; A52-Q54 VanDerWaalsContact C-N 3.28Å; A52-Q54 PolarHBondContact O-N 2.97Å
55	E	82.9	Confident	89.6	Confident	146 Å²	146	87 Å²	87	68%	0.682	41%	0.412	S	S	*	.	H	α-helix	trans	-88.1	-28.5	-174.7	-67.7	171.4	-177.7	0	0	112.8	R51 A52 I53	R51-E55 PolarHBondContact O-N 3.47Å; A52-E55 PolarHBondContact O-N 3.43Å; I53-E55 VanDerWaalsContact C-N 3.33Å; I53-E55 PolarHBondContact O-N 3.19Å
56	Q	78	Confident	89.7	Confident	62 Å²	62	84 Å²	84	29%	0.29	39%	0.389	S	S	.	.	H	α-helix	trans	-132.9	19	-160.8	-65.3	169.8	9.4	0	0	114.6	A52 D58 E59	A52-Q56 PolarHBondContact O-N 3.34Å; A52-Q56 VanDerWaalsContact O-N 3.12Å; Q56-D58 PolarHBondContact O-N 2.03Å; Q56-D58 VanDerWaalsContact O-N 3.14Å; Q56-E59 HydrophobicContact CB-CG 4.45Å; Q56-E59 PolarHBondContact O-N 3.12Å
57	Q	70.9	Confident	89.9	Confident	80 Å²	80	79.2 Å²	79.2	37%	0.374	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-57	-33.1	-176	-169.5	155.6	19.3	0	0	113.6	E59 I98 L102	Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 3.14Å; Q57-I98 HydrophobicContact CG-CD1 3.9Å; Q57-I98 HydrophobicContact CG-CG2 4.14Å; Q57-L102 HydrophobicContact CG-CD1 4.26Å
58	D	72.7	Confident	90	Very high	132 Å²	132	70.6 Å²	70.6	71%	0.706	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-79.2	-6.4	-179.5	-72	-31.3	0	0	0	114.5	Q56 K104	Q56-D58 PolarHBondContact O-N 2.03Å; Q56-D58 VanDerWaalsContact O-N 3.14Å; D58-K104 PolarHBondContact O-NZ 3.08Å
59	E	87.3	Confident	90.2	Very high	89 Å²	89	64.8 Å²	64.8	42%	0.416	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-101.8	2.9	-173.2	-50.4	-176	163.8	0	0	113.3	Q56 Q57 V61 R88	Q56-E59 HydrophobicContact CB-CG 4.45Å; Q56-E59 PolarHBondContact O-N 3.12Å; Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 3.14Å; E59-V61 VanDerWaalsContact C-N 3.32Å; E59-V61 PolarHBondContact O-N 3.23Å; E59-R88 IonicContact OE2-CZ 3.21Å; E59-R88 IonicContact OE2-NH1 2.63Å; E59-R88 PolarHBondContact OE2-NH1 2.98Å; E59-R88 IonicContact OE2-NH2 3.98Å; E59-R88 PolarHBondContact OE2-NH2 3.3Å
60	C	94.8	Very high	90.5	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.034	32%	0.322	C	S	.	.			trans	-75.8	85.2	175.6	-64.8	0	0	0	0	110.9	A89 C95 I98 W103 K104	C60-A89 HydrophobicContact CB-CB 4.13Å; C60-C95 WeakPolarHBondContact CA-SG 3.06Å; C60-C95 HydrophobicContact CB-CB 3.79Å; C60-C95 WeakPolarHBondContact CB-SG 3.2Å; C60-C95 WeakPolarHBondContact SG-CA 3.4Å; C60-C95 WeakPolarHBondContact SG-CB 3.45Å; C60-C95 CovalentContact SG-SG 2.04Å; C60-C95 PolarHBondContact SG-SG 2.69Å; C60-I98 HydrophobicContact CB-CD1 3.92Å; C60-I98 VanDerWaalsContact SG-CD1 3.54Å; C60-W103 WeakPolarHBondContact O-CA 3.47Å; C60-K104 PolarHBondContact O-N 3.05Å
61	V	95.8	Very high	90.8	Very high	47 Å²	47	66 Å²	66	29%	0.285	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-115.7	137.8	179.9	-169.1	0	0	0	0	111	E59 E63 R88 A89 K104	E59-V61 VanDerWaalsContact C-N 3.32Å; E59-V61 PolarHBondContact O-N 3.23Å; V61-E63 HydrophobicContact CG1-CG 4.28Å; V61-R88 PolarHBondContact O-N 3.14Å; V61-A89 PolarHBondContact O-N 3.49Å; V61-K104 WeakPolarHBondContact CA-O 3.19Å; V61-K104 HydrophobicContact CB-CB 4.3Å; V61-K104 HydrophobicContact CG1-CB 4.01Å; V61-K104 HydrophobicContact CG2-CB 3.99Å; V61-K104 HydrophobicContact CG2-CD 3.9Å; V61-K104 HydrophobicContact CG2-CG 4.4Å
62	N	97.2	Very high	91	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.027	31%	0.313	C	S	.	.			trans	-109.1	123.1	157.1	-73.5	-41.5	0	0	0	106.9	C67 C87 S90 K104 P106	N62-C67 HydrophobicContact CB-CB 3.81Å; N62-C67 VanDerWaalsContact CG-CB 3.48Å; N62-C67 VanDerWaalsContact OD1-CB 3.22Å; N62-C67 WeakPolarHBondContact OD1-CB 3.45Å; N62-C87 PolarHBondContact OD1-O 3.45Å; N62-S90 PolarHBondContact ND2-OG 2.87Å; N62-S90 WeakPolarHBondContact OD1-CB 3.18Å; N62-S90 PolarHBondContact OD1-N 2.98Å; N62-S90 VanDerWaalsContact OD1-N 3.17Å; N62-S90 PolarHBondContact OD1-OG 2.04Å; N62-K104 PolarHBondContact N-O 3.35Å; N62-P106 VanDerWaalsContact O-CD 3.32Å; N62-P106 WeakPolarHBondContact O-CD 3.32Å
63	E	97.2	Very high	91.3	Very high	116 Å²	116	69.1 Å²	69.1	54%	0.542	33%	0.33	S	S	.	.	S	Bend	trans	-83.8	-22.8	177.6	-59.3	-171.2	162.5	0	0	111.7	V61 H86	V61-E63 HydrophobicContact CG1-CG 4.28Å; E63-H86 HydrophobicContact CB-CB 4.44Å; E63-H86 WeakPolarHBondContact CB-O 3.35Å; E63-H86 PolarHBondContact N-O 3.48Å; E63-H86 IonicContact OE2-CD2 3.43Å; E63-H86 PolarHBondContact OE2-CD2 3.41Å; E63-H86 IonicContact OE2-CG 3.96Å
64	H	96.9	Very high	91.8	Very high	74 Å²	74	68.6 Å²	68.6	34%	0.343	33%	0.333	S	S	.	.	S	Bend	trans	-118.6	141	179.9	-164	-93	0	0	0	112.6	L66 C67 W70	H64-L66 WeakPolarHBondContact ND1-CB 3.38Å; H64-L66 PolarHBondContact ND1-N 2.97Å; H64-L66 VanDerWaalsContact ND1-N 3.12Å; H64-L66 PolarHBondContact O-N 3.33Å; H64-L66 VanDerWaalsContact O-N 3.14Å; H64-C67 WeakPolarHBondContact O-CB 3.24Å; H64-C67 PolarHBondContact O-N 2.88Å; H64-C67 PolarHBondContact O-SG 2.74Å; H64-W70 HydrophobicContact CB-CH2 4.14Å; H64-W70 HydrophobicContact CB-CZ3 3.8Å; H64-W70 AromaticContact CE1-CH2 3.58Å; H64-W70 AromaticContact CE1-CZ2 3.93Å; H64-W70 AromaticContact CG-CH2 3.58Å; H64-W70 AromaticContact CG-CZ3 3.76Å; H64-W70 AromaticContact ND1-CH2 3.13Å; H64-W70 WeakPolarHBondContact ND1-CH2 3.23Å; H64-W70 AromaticContact ND1-CZ2 3.77Å; H64-W70 AromaticContact ND1-CZ3 3.52Å
65	I	95.8	Very high	92.5	Very high	36 Å²	36	62.9 Å²	62.9	19%	0.185	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22	-176.1	-164	156.2	0	0	0	113.2	P106 L133 W134 Q137	I65-P106 HydrophobicContact CB-CG 3.87Å; I65-P106 HydrophobicContact CG1-CG 4.48Å; I65-L133 HydrophobicContact CD1-CB 4.24Å; I65-L133 WeakPolarHBondContact CD1-O 3.45Å; I65-L133 HydrophobicContact CG1-CB 4.33Å; I65-W134 HydrophobicContact CG2-CB 4.12Å; I65-W134 HydrophobicContact CG2-CG 4.17Å; I65-Q137 HydrophobicContact CD1-CG 4.35Å
66	L	96.6	Very high	93.2	Very high	21 Å²	21	56.8 Å²	56.8	11%	0.11	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	3	176.7	-61.6	178.4	0	0	0	114.1	H64 N68 F69 W70 W134	H64-L66 WeakPolarHBondContact ND1-CB 3.38Å; H64-L66 PolarHBondContact ND1-N 2.97Å; H64-L66 VanDerWaalsContact ND1-N 3.12Å; H64-L66 PolarHBondContact O-N 3.33Å; H64-L66 VanDerWaalsContact O-N 3.14Å; L66-N68 VanDerWaalsContact C-N 3.27Å; L66-N68 PolarHBondContact O-N 2.94Å; L66-F69 HydrophobicContact CB-CB 4.39Å; L66-F69 HydrophobicContact CD2-CB 4.3Å; L66-F69 WeakPolarHBondContact O-CA 3.05Å; L66-F69 WeakPolarHBondContact O-CB 3.45Å; L66-F69 PolarHBondContact O-N 3.34Å; L66-W70 HydrophobicContact CB-CD2 3.99Å; L66-W70 HydrophobicContact CB-CE3 4.4Å; L66-W70 HydrophobicContact CB-CH2 4.25Å; L66-W70 HydrophobicContact CB-CZ2 3.81Å; L66-W70 HydrophobicContact CD1-CZ2 4.03Å; L66-W70 PolarHBondContact O-N 3.46Å; L66-W134 HydrophobicContact CD1-CD2 4.25Å; L66-W134 HydrophobicContact CD2-CB 3.76Å; L66-W134 HydrophobicContact CD2-CD2 4.03Å; L66-W134 HydrophobicContact CD2-CE3 4.28Å; L66-W134 HydrophobicContact CD2-CG 3.81Å; L66-W134 HydrophobicContact CG-CD2 4.45Å; L66-W134 HydrophobicContact CG-CG 4.24Å
67	C	98	Very high	94.1	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-53.8	-42.9	179.8	-75	0	0	0	0	112.9	N62 H64 F69 W70 S71 H86 C87 S90	N62-C67 HydrophobicContact CB-CB 3.81Å; N62-C67 VanDerWaalsContact CG-CB 3.48Å; N62-C67 VanDerWaalsContact OD1-CB 3.22Å; N62-C67 WeakPolarHBondContact OD1-CB 3.45Å; H64-C67 WeakPolarHBondContact O-CB 3.24Å; H64-C67 PolarHBondContact O-N 2.88Å; H64-C67 PolarHBondContact O-SG 2.74Å; C67-F69 VanDerWaalsContact C-N 3.34Å; C67-F69 PolarHBondContact O-N 2.85Å; C67-W70 PolarHBondContact O-N 2.95Å; C67-S71 PolarHBondContact O-N 3.47Å; C67-S71 PolarHBondContact O-OG 3.26Å; C67-H86 PolarHBondContact SG-O 3.49Å; C67-H86 VanDerWaalsContact SG-O 3.36Å; C67-C87 WeakPolarHBondContact CA-SG 3.49Å; C67-C87 HydrophobicContact CB-CB 3.48Å; C67-C87 VanDerWaalsContact CB-CB 3.48Å; C67-C87 WeakPolarHBondContact CB-SG 3.48Å; C67-C87 WeakPolarHBondContact SG-CA 3.45Å; C67-C87 WeakPolarHBondContact SG-CB 3.46Å; C67-C87 CovalentContact SG-SG 2.03Å; C67-C87 PolarHBondContact SG-SG 2.7Å; C67-S90 WeakPolarHBondContact CB-OG 3.24Å
68	N	95.7	Very high	95.4	Very high	20 Å²	20	63.8 Å²	63.8	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-66.6	-33.5	176	-176.2	33.7	0	0	0	112.8	L66 S71 K72 S90 R100 D130	L66-N68 VanDerWaalsContact C-N 3.27Å; L66-N68 PolarHBondContact O-N 2.94Å; N68-S71 PolarHBondContact O-OG 3.41Å; N68-K72 WeakPolarHBondContact O-CD 3.32Å; N68-K72 VanDerWaalsContact O-CG 3.29Å; N68-K72 WeakPolarHBondContact O-CG 3.5Å; N68-K72 PolarHBondContact O-N 3.45Å; N68-K72 WeakPolarHBondContact OD1-CE 3.27Å; N68-S90 PolarHBondContact N-OG 3.43Å; N68-R100 PolarHBondContact ND2-NH2 2.81Å; N68-D130 PolarHBondContact ND2-OD1 2.99Å
69	F	97.3	Very high	96.6	Very high	83 Å²	83	63.4 Å²	63.4	36%	0.364	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-47.9	173.9	172.4	-101.3	0	0	0	110.4	L66 C67 S71 K72 Q73 D130	L66-F69 HydrophobicContact CB-CB 4.39Å; L66-F69 HydrophobicContact CD2-CB 4.3Å; L66-F69 WeakPolarHBondContact O-CA 3.05Å; L66-F69 WeakPolarHBondContact O-CB 3.45Å; L66-F69 PolarHBondContact O-N 3.34Å; C67-F69 VanDerWaalsContact C-N 3.34Å; C67-F69 PolarHBondContact O-N 2.85Å; F69-S71 PolarHBondContact O-N 3.2Å; F69-K72 PolarHBondContact O-N 3.32Å; F69-Q73 HydrophobicContact CE1-CG 4.11Å; F69-Q73 HydrophobicContact CE2-CG 4.38Å; F69-Q73 HydrophobicContact CZ-CG 4.04Å; F69-Q73 WeakPolarHBondContact O-CG 3.32Å; F69-Q73 PolarHBondContact O-N 3.48Å; F69-D130 HydrophobicContact CB-CB 4.03Å
70	W	98	Very high	97	Very high	63 Å²	63	64.8 Å²	64.8	24%	0.239	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-38.9	179.8	-66.4	-28.4	0	0	0	113	H64 L66 C67 K72 Q73 G74 Q75 F82 M83	H64-W70 HydrophobicContact CB-CH2 4.14Å; H64-W70 HydrophobicContact CB-CZ3 3.8Å; H64-W70 AromaticContact CE1-CH2 3.58Å; H64-W70 AromaticContact CE1-CZ2 3.93Å; H64-W70 AromaticContact CG-CH2 3.58Å; H64-W70 AromaticContact CG-CZ3 3.76Å; H64-W70 AromaticContact ND1-CH2 3.13Å; H64-W70 WeakPolarHBondContact ND1-CH2 3.23Å; H64-W70 AromaticContact ND1-CZ2 3.77Å; H64-W70 AromaticContact ND1-CZ3 3.52Å; L66-W70 HydrophobicContact CB-CD2 3.99Å; L66-W70 HydrophobicContact CB-CE3 4.4Å; L66-W70 HydrophobicContact CB-CH2 4.25Å; L66-W70 HydrophobicContact CB-CZ2 3.81Å; L66-W70 HydrophobicContact CD1-CZ2 4.03Å; L66-W70 PolarHBondContact O-N 3.46Å; C67-W70 PolarHBondContact O-N 2.95Å; W70-K72 VanDerWaalsContact C-N 3.34Å; W70-K72 PolarHBondContact O-N 3.04Å; W70-Q73 CarbonylContact O-C 2.98Å; W70-Q73 WeakPolarHBondContact O-CA 3.32Å; W70-Q73 WeakPolarHBondContact O-CB 3.2Å; W70-Q73 PolarHBondContact O-N 2.95Å; W70-Q73 VanDerWaalsContact O-N 3.07Å; W70-G74 PolarHBondContact O-N 3.3Å; W70-Q75 HydrophobicContact CB-CB 4.01Å; W70-Q75 HydrophobicContact CB-CG 3.87Å; W70-Q75 HydrophobicContact CG-CG 4.47Å; W70-Q75 VanDerWaalsContact O-CB 3.24Å; W70-Q75 WeakPolarHBondContact O-CB 2.97Å; W70-Q75 VanDerWaalsContact O-CG 3.24Å; W70-Q75 WeakPolarHBondContact O-CG 3.39Å; W70-Q75 PolarHBondContact O-N 3.43Å; W70-Q75 VanDerWaalsContact O-N 3.09Å; W70-F82 HydrophobicContact CE3-CE1 4.3Å; W70-F82 AromaticContact CZ3-CE1 3.91Å; W70-F82 HydrophobicContact CZ3-CE1 3.91Å; W70-F82 HydrophobicContact CZ3-CZ 4.35Å; W70-M83 HydrophobicContact CB-CE 3.74Å; W70-M83 HydrophobicContact CB-SD 3.97Å; W70-M83 HydrophobicContact CE3-SD 4.19Å
71	S	97.3	Very high	97.1	Very high	24 Å²	24	72.1 Å²	72.1	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-42.6	176.1	67.7	0	0	0	0	111.8	C67 N68 F69 Q73 G74 C76 S90	C67-S71 PolarHBondContact O-N 3.47Å; C67-S71 PolarHBondContact O-OG 3.26Å; N68-S71 PolarHBondContact O-OG 3.41Å; F69-S71 PolarHBondContact O-N 3.2Å; S71-Q73 PolarHBondContact O-N 3.45Å; S71-G74 PolarHBondContact O-N 2.88Å; S71-C76 WeakPolarHBondContact CB-SG 3.47Å; S71-S90 WeakPolarHBondContact CB-O 3.08Å
72	K	96.1	Very high	97.2	Very high	131 Å²	131	74.1 Å²	74.1	57%	0.57	35%	0.353	S	S	*	.	H	α-helix	trans	-62.7	-27.8	173.7	-68.1	169.5	-174	174.9	0	113.3	N68 F69 W70 G74 D130	N68-K72 WeakPolarHBondContact O-CD 3.32Å; N68-K72 VanDerWaalsContact O-CG 3.29Å; N68-K72 WeakPolarHBondContact O-CG 3.5Å; N68-K72 PolarHBondContact O-N 3.45Å; N68-K72 WeakPolarHBondContact OD1-CE 3.27Å; F69-K72 PolarHBondContact O-N 3.32Å; W70-K72 VanDerWaalsContact C-N 3.34Å; W70-K72 PolarHBondContact O-N 3.04Å; K72-G74 PolarHBondContact O-N 3.06Å; K72-D130 IonicContact NZ-OD1 3.74Å; K72-D130 IonicContact NZ-OD2 2.7Å; K72-D130 PolarHBondContact NZ-OD2 3.31Å
73	Q	97.2	Very high	97.2	Very high	118 Å²	118	74 Å²	74	55%	0.551	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	7.8	173.5	-61.1	-60.1	-32	0	0	113	F69 W70 S71 Q75	F69-Q73 HydrophobicContact CE1-CG 4.11Å; F69-Q73 HydrophobicContact CE2-CG 4.38Å; F69-Q73 HydrophobicContact CZ-CG 4.04Å; F69-Q73 WeakPolarHBondContact O-CG 3.32Å; F69-Q73 PolarHBondContact O-N 3.48Å; W70-Q73 CarbonylContact O-C 2.98Å; W70-Q73 WeakPolarHBondContact O-CA 3.32Å; W70-Q73 WeakPolarHBondContact O-CB 3.2Å; W70-Q73 PolarHBondContact O-N 2.95Å; W70-Q73 VanDerWaalsContact O-N 3.07Å; S71-Q73 PolarHBondContact O-N 3.45Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 HydrophobicContact CB-CG 4.39Å; Q73-Q75 PolarHBondContact O-N 3.38Å
74	G	97.6	Very high	97.1	Very high	22 Å²	22	71.6 Å²	71.6	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	12.4	177.9	0	0	0	0	0	114.7	W70 S71 K72 C76 F77 T78	W70-G74 PolarHBondContact O-N 3.3Å; S71-G74 PolarHBondContact O-N 2.88Å; K72-G74 PolarHBondContact O-N 3.06Å; G74-C76 PolarHBondContact O-N 3.09Å; G74-F77 PolarHBondContact O-N 3.3Å; G74-T78 PolarHBondContact O-N 3.24Å; G74-T78 PolarHBondContact O-OG1 3Å
75	Q	98.3	Very high	97	Very high	47 Å²	47	74.1 Å²	74.1	22%	0.22	36%	0.355	C	S	.	.	H	α-helix	trans	-63.5	-24.3	-178.2	-63.8	-75.7	-19.9	0	0	112.6	W70 Q73 F77 T78 K79 M83	W70-Q75 HydrophobicContact CB-CB 4.01Å; W70-Q75 HydrophobicContact CB-CG 3.87Å; W70-Q75 HydrophobicContact CG-CG 4.47Å; W70-Q75 VanDerWaalsContact O-CB 3.24Å; W70-Q75 WeakPolarHBondContact O-CB 2.97Å; W70-Q75 VanDerWaalsContact O-CG 3.24Å; W70-Q75 WeakPolarHBondContact O-CG 3.39Å; W70-Q75 PolarHBondContact O-N 3.43Å; W70-Q75 VanDerWaalsContact O-N 3.09Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 HydrophobicContact CB-CG 4.39Å; Q73-Q75 PolarHBondContact O-N 3.38Å; Q75-F77 PolarHBondContact O-N 3.07Å; Q75-F77 VanDerWaalsContact O-N 3.07Å; Q75-T78 WeakPolarHBondContact CA-OG1 3.31Å; Q75-T78 PolarHBondContact O-N 3.35Å; Q75-K79 CarbonylContact O-C 3.52Å; Q75-K79 VanDerWaalsContact O-C 3.27Å; Q75-K79 WeakPolarHBondContact O-CA 3.25Å; Q75-K79 PolarHBondContact O-N 2.72Å; Q75-K79 VanDerWaalsContact OE1-CE 3.25Å; Q75-M83 HydrophobicContact CB-CE 4.12Å; Q75-M83 HydrophobicContact CB-CG 3.86Å; Q75-M83 HydrophobicContact CB-SD 3.82Å; Q75-M83 WeakPolarHBondContact O-CG 2.97Å
76	C	98.1	Very high	97.1	Very high	17 Å²	17	74.8 Å²	74.8	12%	0.115	36%	0.357	C	S	.	.	H	α-helix	trans	-56.4	-24.7	173.3	-55.3	0	0	0	0	112.8	S71 G74 K80 C91	S71-C76 WeakPolarHBondContact CB-SG 3.47Å; G74-C76 PolarHBondContact O-N 3.09Å; C76-K80 WeakPolarHBondContact O-CA 3.13Å; C76-C91 VanDerWaalsContact CA-SG 3.53Å; C76-C91 HydrophobicContact CB-CB 3.69Å; C76-C91 WeakPolarHBondContact CB-SG 3.46Å; C76-C91 WeakPolarHBondContact SG-CA 3.4Å; C76-C91 WeakPolarHBondContact SG-CB 3.47Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 3.02Å
77	F	97.1	Very high	97.1	Very high	181 Å²	181	73.8 Å²	73.8	79%	0.794	35%	0.352	S	S	*	.	H	α-helix	trans	-102.2	-45.3	178.9	-52.7	-69.5	0	0	0	111.8	G74 Q75	G74-F77 PolarHBondContact O-N 3.3Å; Q75-F77 PolarHBondContact O-N 3.07Å; Q75-F77 VanDerWaalsContact O-N 3.07Å
78	T	98	Very high	97	Very high	108 Å²	108	76.5 Å²	76.5	66%	0.663	36%	0.362	S	S	*	.	H	α-helix	trans	-77.8	-26.6	-175.9	56.3	0	0	0	0	113.4	G74 Q75	G74-T78 PolarHBondContact O-N 3.24Å; G74-T78 PolarHBondContact O-OG1 3Å; Q75-T78 WeakPolarHBondContact CA-OG1 3.31Å; Q75-T78 PolarHBondContact O-N 3.35Å
79	K	97.4	Very high	97	Very high	124 Å²	124	75.6 Å²	75.6	54%	0.539	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129	48.5	176.2	-65	-166.4	-168.9	-168.6	0	111.1	Q75 Q81 F82 M83	Q75-K79 CarbonylContact O-C 3.52Å; Q75-K79 VanDerWaalsContact O-C 3.27Å; Q75-K79 WeakPolarHBondContact O-CA 3.25Å; Q75-K79 PolarHBondContact O-N 2.72Å; Q75-K79 VanDerWaalsContact OE1-CE 3.25Å; K79-Q81 PolarHBondContact O-N 2.56Å; K79-F82 PolarHBondContact O-N 3.41Å; K79-M83 HydrophobicContact CB-CG 4.39Å; K79-M83 WeakPolarHBondContact O-CG 3.43Å; K79-M83 PolarHBondContact O-N 2.9Å
80	K	96.6	Very high	97	Very high	118 Å²	118	72.6 Å²	72.6	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-48.9	-53.5	-172.9	179.9	165	177.4	46.8	0	113.6	C76 F82 M83 D84	C76-K80 WeakPolarHBondContact O-CA 3.13Å; K80-F82 PolarHBondContact O-N 2.99Å; K80-M83 PolarHBondContact O-N 2.85Å; K80-D84 WeakPolarHBondContact CE-OD2 3.38Å; K80-D84 VanDerWaalsContact CG-OD2 3.25Å; K80-D84 WeakPolarHBondContact CG-OD2 3.39Å; K80-D84 VanDerWaalsContact NZ-CG 3.32Å; K80-D84 IonicContact NZ-OD1 3.3Å; K80-D84 PolarHBondContact NZ-OD1 2.81Å; K80-D84 IonicContact NZ-OD2 3.28Å; K80-D84 PolarHBondContact NZ-OD2 3.35Å; K80-D84 WeakPolarHBondContact O-CB 3Å; K80-D84 PolarHBondContact O-N 3.07Å
81	Q	96.7	Very high	96.9	Very high	159 Å²	159	70.7 Å²	70.7	74%	0.743	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-51.2	-177.1	-176.5	-179.5	-3.9	0	0	112.2	K79 M83 E85	K79-Q81 PolarHBondContact O-N 2.56Å; Q81-M83 PolarHBondContact O-N 2.77Å; Q81-E85 WeakPolarHBondContact O-CB 3.35Å; Q81-E85 PolarHBondContact O-N 3.2Å; Q81-E85 VanDerWaalsContact O-N 3.17Å
82	F	97.9	Very high	96.7	Very high	90 Å²	90	71.2 Å²	71.2	40%	0.395	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-44.3	179.4	177.4	-92.2	0	0	0	111.8	W70 K79 K80 E85 H86	W70-F82 HydrophobicContact CE3-CE1 4.3Å; W70-F82 AromaticContact CZ3-CE1 3.91Å; W70-F82 HydrophobicContact CZ3-CE1 3.91Å; W70-F82 HydrophobicContact CZ3-CZ 4.35Å; K79-F82 PolarHBondContact O-N 3.41Å; K80-F82 PolarHBondContact O-N 2.99Å; F82-E85 PolarHBondContact O-N 3.29Å; F82-H86 AromaticContact CD2-CE1 4Å; F82-H86 AromaticContact CD2-ND1 3.64Å; F82-H86 HydrophobicContact CE1-CB 4.38Å; F82-H86 HydrophobicContact CE2-CB 4.43Å; F82-H86 AromaticContact CE2-CG 3.94Å; F82-H86 AromaticContact CE2-ND1 3.76Å; F82-H86 HydrophobicContact CZ-CB 4.2Å; F82-H86 WeakPolarHBondContact O-CB 3.37Å; F82-H86 PolarHBondContact O-N 2.96Å; F82-H86 PolarHBondContact O-ND1 3.44Å; F82-H86 VanDerWaalsContact O-ND1 3.11Å
83	M	98.1	Very high	96.5	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-72.4	-35.4	-176.3	-67.7	-65.5	-65.1	0	0	113	W70 Q75 K79 K80 Q81 E85 C87 R88 C91	W70-M83 HydrophobicContact CB-CE 3.74Å; W70-M83 HydrophobicContact CB-SD 3.97Å; W70-M83 HydrophobicContact CE3-SD 4.19Å; Q75-M83 HydrophobicContact CB-CE 4.12Å; Q75-M83 HydrophobicContact CB-CG 3.86Å; Q75-M83 HydrophobicContact CB-SD 3.82Å; Q75-M83 WeakPolarHBondContact O-CG 2.97Å; K79-M83 HydrophobicContact CB-CG 4.39Å; K79-M83 WeakPolarHBondContact O-CG 3.43Å; K79-M83 PolarHBondContact O-N 2.9Å; K80-M83 PolarHBondContact O-N 2.85Å; Q81-M83 PolarHBondContact O-N 2.77Å; M83-E85 VanDerWaalsContact C-N 3.31Å; M83-C87 HydrophobicContact CB-CB 4.44Å; M83-C87 HydrophobicContact CE-CB 3.57Å; M83-C87 CarbonylContact O-C 3.01Å; M83-C87 WeakPolarHBondContact O-CA 3.43Å; M83-C87 VanDerWaalsContact O-CB 3.3Å; M83-C87 WeakPolarHBondContact O-CB 3.22Å; M83-C87 PolarHBondContact O-N 3.28Å; M83-C87 HydrophobicContact SD-CB 3.96Å; M83-R88 PolarHBondContact O-N 3.05Å; M83-C91 WeakPolarHBondContact CE-SG 3.46Å
84	D	94.2	Very high	96.3	Very high	66 Å²	66	62.8 Å²	62.8	35%	0.353	31%	0.313	S	S	.	.	H	α-helix	trans	-65.5	-37.9	174.4	-71.5	-14	0	0	0	111	K80	K80-D84 WeakPolarHBondContact CE-OD2 3.38Å; K80-D84 VanDerWaalsContact CG-OD2 3.25Å; K80-D84 WeakPolarHBondContact CG-OD2 3.39Å; K80-D84 VanDerWaalsContact NZ-CG 3.32Å; K80-D84 IonicContact NZ-OD1 3.3Å; K80-D84 PolarHBondContact NZ-OD1 2.81Å; K80-D84 IonicContact NZ-OD2 3.28Å; K80-D84 PolarHBondContact NZ-OD2 3.35Å; K80-D84 WeakPolarHBondContact O-CB 3Å; K80-D84 PolarHBondContact O-N 3.07Å
85	E	95.3	Very high	96.2	Very high	126 Å²	126	61.8 Å²	61.8	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-76.6	-48.4	-179	-174.2	175.9	-166.5	0	0	112.2	Q81 F82 M83	Q81-E85 WeakPolarHBondContact O-CB 3.35Å; Q81-E85 PolarHBondContact O-N 3.2Å; Q81-E85 VanDerWaalsContact O-N 3.17Å; F82-E85 PolarHBondContact O-N 3.29Å; M83-E85 VanDerWaalsContact C-N 3.31Å
86	H	96.9	Very high	95.8	Very high	51 Å²	51	64.6 Å²	64.6	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-105.5	-13.5	-169.2	-57.8	79.1	0	0	0	114	E63 C67 F82	E63-H86 HydrophobicContact CB-CB 4.44Å; E63-H86 WeakPolarHBondContact CB-O 3.35Å; E63-H86 PolarHBondContact N-O 3.48Å; E63-H86 IonicContact OE2-CD2 3.43Å; E63-H86 PolarHBondContact OE2-CD2 3.41Å; E63-H86 IonicContact OE2-CG 3.96Å; C67-H86 PolarHBondContact SG-O 3.49Å; C67-H86 VanDerWaalsContact SG-O 3.36Å; F82-H86 AromaticContact CD2-CE1 4Å; F82-H86 AromaticContact CD2-ND1 3.64Å; F82-H86 HydrophobicContact CE1-CB 4.38Å; F82-H86 HydrophobicContact CE2-CB 4.43Å; F82-H86 AromaticContact CE2-CG 3.94Å; F82-H86 AromaticContact CE2-ND1 3.76Å; F82-H86 HydrophobicContact CZ-CB 4.2Å; F82-H86 WeakPolarHBondContact O-CB 3.37Å; F82-H86 PolarHBondContact O-N 2.96Å; F82-H86 PolarHBondContact O-ND1 3.44Å; F82-H86 VanDerWaalsContact O-ND1 3.11Å
87	C	97.5	Very high	95.6	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.314	C	S	.	.			trans	-135	30.2	-172.3	-66.9	0	0	0	0	112.3	N62 C67 M83 A89 S90 C91	N62-C87 PolarHBondContact OD1-O 3.45Å; C67-C87 WeakPolarHBondContact CA-SG 3.49Å; C67-C87 HydrophobicContact CB-CB 3.48Å; C67-C87 VanDerWaalsContact CB-CB 3.48Å; C67-C87 WeakPolarHBondContact CB-SG 3.48Å; C67-C87 WeakPolarHBondContact SG-CA 3.45Å; C67-C87 WeakPolarHBondContact SG-CB 3.46Å; C67-C87 CovalentContact SG-SG 2.03Å; C67-C87 PolarHBondContact SG-SG 2.7Å; M83-C87 HydrophobicContact CB-CB 4.44Å; M83-C87 HydrophobicContact CE-CB 3.57Å; M83-C87 CarbonylContact O-C 3.01Å; M83-C87 WeakPolarHBondContact O-CA 3.43Å; M83-C87 VanDerWaalsContact O-CB 3.3Å; M83-C87 WeakPolarHBondContact O-CB 3.22Å; M83-C87 PolarHBondContact O-N 3.28Å; M83-C87 HydrophobicContact SD-CB 3.96Å; C87-A89 VanDerWaalsContact C-N 3.29Å; C87-A89 PolarHBondContact O-N 3.45Å; C87-S90 WeakPolarHBondContact O-CB 3.29Å; C87-S90 PolarHBondContact O-N 3.37Å; C87-C91 PolarHBondContact O-N 3.27Å
88	R	95.4	Very high	95.3	Very high	57 Å²	57	56.9 Å²	56.9	22%	0.215	28%	0.279	C	S	.	.	H	α-helix	trans	-50.9	-47.2	-173.3	-175.4	173.1	173	-169.6	-5.9	112.7	E59 V61 M83 S90 C91 D92	E59-R88 IonicContact OE2-CZ 3.21Å; E59-R88 IonicContact OE2-NH1 2.63Å; E59-R88 PolarHBondContact OE2-NH1 2.98Å; E59-R88 IonicContact OE2-NH2 3.98Å; E59-R88 PolarHBondContact OE2-NH2 3.3Å; V61-R88 PolarHBondContact O-N 3.14Å; M83-R88 PolarHBondContact O-N 3.05Å; R88-S90 PolarHBondContact O-N 2.98Å; R88-S90 VanDerWaalsContact O-N 3.12Å; R88-C91 PolarHBondContact O-N 3.08Å; R88-D92 HydrophobicContact CG-CB 3.92Å; R88-D92 IonicContact NE-OD2 3.09Å; R88-D92 PolarHBondContact NE-OD2 3.35Å; R88-D92 IonicContact NH2-OD2 2.72Å; R88-D92 WeakPolarHBondContact O-CB 3.33Å; R88-D92 PolarHBondContact O-N 3.49Å
89	A	96.2	Very high	95	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-55.5	-36.1	179.9	0	0	0	0	0	112.8	C60 V61 C87 C95 W103	C60-A89 HydrophobicContact CB-CB 4.13Å; V61-A89 PolarHBondContact O-N 3.49Å; C87-A89 VanDerWaalsContact C-N 3.29Å; C87-A89 PolarHBondContact O-N 3.45Å; A89-C95 HydrophobicContact CB-CB 4.5Å; A89-C95 WeakPolarHBondContact O-CB 3.39Å; A89-W103 HydrophobicContact CB-CD2 3.75Å; A89-W103 HydrophobicContact CB-CE3 3.71Å; A89-W103 HydrophobicContact CB-CG 4.14Å; A89-W103 HydrophobicContact CB-CZ3 4.12Å; A89-W103 WeakPolarHBondContact O-CH2 3.45Å; A89-W103 WeakPolarHBondContact O-CZ2 3.07Å
90	S	96.2	Very high	94.7	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-81	-19	-178.9	-58.1	0	0	0	0	114.5	N62 C67 N68 S71 C87 R88	N62-S90 PolarHBondContact ND2-OG 2.87Å; N62-S90 WeakPolarHBondContact OD1-CB 3.18Å; N62-S90 PolarHBondContact OD1-N 2.98Å; N62-S90 VanDerWaalsContact OD1-N 3.17Å; N62-S90 PolarHBondContact OD1-OG 2.04Å; C67-S90 WeakPolarHBondContact CB-OG 3.24Å; N68-S90 PolarHBondContact N-OG 3.43Å; S71-S90 WeakPolarHBondContact CB-O 3.08Å; C87-S90 WeakPolarHBondContact O-CB 3.29Å; C87-S90 PolarHBondContact O-N 3.37Å; R88-S90 PolarHBondContact O-N 2.98Å; R88-S90 VanDerWaalsContact O-N 3.12Å
91	C	96.2	Very high	94.4	Very high	23 Å²	23	53.8 Å²	53.8	16%	0.155	27%	0.271	C	S	.	.	H	α-helix	trans	-116.4	-22.3	-173.2	-69.3	0	0	0	0	114.5	C76 M83 C87 R88 P93	C76-C91 VanDerWaalsContact CA-SG 3.53Å; C76-C91 HydrophobicContact CB-CB 3.69Å; C76-C91 WeakPolarHBondContact CB-SG 3.46Å; C76-C91 WeakPolarHBondContact SG-CA 3.4Å; C76-C91 WeakPolarHBondContact SG-CB 3.47Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 3.02Å; M83-C91 WeakPolarHBondContact CE-SG 3.46Å; C87-C91 PolarHBondContact O-N 3.27Å; R88-C91 PolarHBondContact O-N 3.08Å; C91-P93 WeakPolarHBondContact O-CD 3.49Å
92	D	93.3	Very high	94.1	Very high	36 Å²	36	50.4 Å²	50.4	19%	0.193	26%	0.258	C	S	.	.			trans	-80.8	120	-179.7	-170.2	-23.6	0	0	0	110.8	R88 A94 C95 Y96	R88-D92 HydrophobicContact CG-CB 3.92Å; R88-D92 IonicContact NE-OD2 3.09Å; R88-D92 PolarHBondContact NE-OD2 3.35Å; R88-D92 IonicContact NH2-OD2 2.72Å; R88-D92 WeakPolarHBondContact O-CB 3.33Å; R88-D92 PolarHBondContact O-N 3.49Å; D92-A94 PolarHBondContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 3.22Å; D92-C95 HydrophobicContact CB-CB 4.16Å; D92-C95 WeakPolarHBondContact O-CB 3.02Å; D92-C95 PolarHBondContact O-N 3.28Å; D92-Y96 PolarHBondContact O-N 3.38Å
93	P	91.8	Very high	94	Very high	66 Å²	66	47.5 Å²	47.5	43%	0.429	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-28.6	175.5	-24.9	35.4	0	0	0	114.3	I49 C91 Y96 C97	I49-P93 HydrophobicContact CD1-CB 3.89Å; I49-P93 HydrophobicContact CG1-CB 4.46Å; C91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-Y96 PolarHBondContact O-N 2.76Å; P93-C97 PolarHBondContact O-SG 2.77Å; P93-C97 VanDerWaalsContact O-SG 3.34Å
94	A	93.4	Very high	93.8	Very high	6 Å²	6	53 Å²	53	5%	0.05	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-42.5	174.9	0	0	0	0	0	111	A52 I53 D92 Y96 C97	A52-A94 HydrophobicContact CB-CB 3.78Å; I53-A94 HydrophobicContact CG1-CB 4.34Å; D92-A94 PolarHBondContact O-N 3.09Å; D92-A94 WeakPolarHBondContact OD1-CB 3.3Å; D92-A94 PolarHBondContact OD1-N 3.22Å; A94-Y96 VanDerWaalsContact C-N 3.32Å; A94-Y96 PolarHBondContact O-N 3.24Å; A94-C97 WeakPolarHBondContact O-CB 3.49Å; A94-C97 PolarHBondContact O-N 3.22Å; A94-C97 VanDerWaalsContact O-N 3.1Å
95	C	94.7	Very high	93.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-33.7	177.3	-66.9	0	0	0	0	113.1	C60 A89 D92 C97 I98 W103	C60-C95 WeakPolarHBondContact CA-SG 3.06Å; C60-C95 HydrophobicContact CB-CB 3.79Å; C60-C95 WeakPolarHBondContact CB-SG 3.2Å; C60-C95 WeakPolarHBondContact SG-CA 3.4Å; C60-C95 WeakPolarHBondContact SG-CB 3.45Å; C60-C95 CovalentContact SG-SG 2.04Å; C60-C95 PolarHBondContact SG-SG 2.69Å; A89-C95 HydrophobicContact CB-CB 4.5Å; A89-C95 WeakPolarHBondContact O-CB 3.39Å; D92-C95 HydrophobicContact CB-CB 4.16Å; D92-C95 WeakPolarHBondContact O-CB 3.02Å; D92-C95 PolarHBondContact O-N 3.28Å; C95-C97 PolarHBondContact O-N 2.83Å; C95-I98 VanDerWaalsContact O-CG1 3.27Å; C95-I98 WeakPolarHBondContact O-CG1 3.31Å; C95-I98 PolarHBondContact O-N 3.48Å; C95-W103 HydrophobicContact CB-CZ2 4.31Å; C95-W103 WeakPolarHBondContact O-CZ2 3.34Å; C95-W103 PolarHBondContact O-NE1 2.99Å
96	Y	91.8	Very high	93.9	Very high	106 Å²	106	47.8 Å²	47.8	42%	0.416	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-27	173.4	175.1	-102.9	0	0	0	113.5	K40 L43 D92 P93 A94	K40-Y96 HydrophobicContact CB-CE1 4.12Å; K40-Y96 HydrophobicContact CD-CE1 4.01Å; K40-Y96 WeakPolarHBondContact CE-O 3.33Å; K40-Y96 HydrophobicContact CG-CE1 3.62Å; L43-Y96 HydrophobicContact CD2-CD1 3.64Å; L43-Y96 HydrophobicContact CD2-CE1 3.79Å; D92-Y96 PolarHBondContact O-N 3.38Å; P93-Y96 PolarHBondContact O-N 2.76Å; A94-Y96 VanDerWaalsContact C-N 3.32Å; A94-Y96 PolarHBondContact O-N 3.24Å
97	C	93	Very high	93.8	Very high	23 Å²	23	49.4 Å²	49.4	16%	0.155	26%	0.255	C	S	.	.	H	α-helix	trans	-93.5	-9.2	-172.3	-68.8	0	0	0	0	114.9	C44 I49 I53 P93 A94 C95	C44-C97 WeakPolarHBondContact CA-SG 3.39Å; C44-C97 HydrophobicContact CB-CB 3.58Å; C44-C97 WeakPolarHBondContact CB-SG 3.41Å; C44-C97 WeakPolarHBondContact SG-CA 3.03Å; C44-C97 WeakPolarHBondContact SG-CB 3.45Å; C44-C97 CovalentContact SG-SG 2.03Å; C44-C97 PolarHBondContact SG-SG 3.39Å; I49-C97 HydrophobicContact CG2-CB 4.33Å; I53-C97 HydrophobicContact CD1-CB 3.41Å; I53-C97 VanDerWaalsContact CD1-CB 3.41Å; I53-C97 HydrophobicContact CG1-CB 4.14Å; P93-C97 PolarHBondContact O-SG 2.77Å; P93-C97 VanDerWaalsContact O-SG 3.34Å; A94-C97 WeakPolarHBondContact O-CB 3.49Å; A94-C97 PolarHBondContact O-N 3.22Å; A94-C97 VanDerWaalsContact O-N 3.1Å; C95-C97 PolarHBondContact O-N 2.83Å
98	I	91.1	Very high	93.7	Very high	12 Å²	12	53.3 Å²	53.3	6%	0.062	28%	0.276	C	S	.	.	S	Bend	trans	-92.5	169.9	171.7	65.7	168.3	0	0	0	111.4	I53 Q57 C60 C95 R100 L102	I53-I98 HydrophobicContact CB-CG2 4.43Å; I53-I98 HydrophobicContact CG1-CG2 4.24Å; I53-I98 HydrophobicContact CG2-CG2 3.6Å; Q57-I98 HydrophobicContact CG-CD1 3.9Å; Q57-I98 HydrophobicContact CG-CG2 4.14Å; C60-I98 HydrophobicContact CB-CD1 3.92Å; C60-I98 VanDerWaalsContact SG-CD1 3.54Å; C95-I98 VanDerWaalsContact O-CG1 3.27Å; C95-I98 WeakPolarHBondContact O-CG1 3.31Å; C95-I98 PolarHBondContact O-N 3.48Å; I98-R100 PolarHBondContact O-N 2.85Å; I98-L102 HydrophobicContact CD1-CB 4.25Å
99	D	91.5	Very high	93.8	Very high	100 Å²	100	52.6 Å²	52.6	54%	0.535	28%	0.279	S	S	.	.			trans	-64.3	129.1	173.9	-166.4	-61.9	0	0	0	110.4	S101 L102	D99-S101 VanDerWaalsContact CG-OG 3.29Å; D99-S101 PolarHBondContact O-N 3.49Å; D99-S101 WeakPolarHBondContact OD1-CB 3.26Å; D99-S101 PolarHBondContact OD1-N 3.36Å; D99-S101 PolarHBondContact OD1-OG 2.87Å; D99-L102 HydrophobicContact CB-CD1 4.16Å; D99-L102 HydrophobicContact CB-CG 4.26Å; D99-L102 WeakPolarHBondContact O-CB 3.5Å; D99-L102 PolarHBondContact O-N 3.18Å
100	R	90.8	Very high	93.8	Very high	88 Å²	88	55.5 Å²	55.5	33%	0.332	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.3	-23.6	-178.7	-172.6	174	178.9	159.9	8.1	112.8	N68 I98 L102 W103 E105	N68-R100 PolarHBondContact ND2-NH2 2.81Å; I98-R100 PolarHBondContact O-N 2.85Å; R100-L102 PolarHBondContact O-N 3.22Å; R100-W103 HydrophobicContact CG-CD2 4Å; R100-W103 HydrophobicContact CG-CE3 4.1Å; R100-W103 HydrophobicContact CG-CG 4.28Å; R100-W103 WeakPolarHBondContact O-CB 3.25Å; R100-W103 PolarHBondContact O-N 3.22Å; R100-E105 IonicContact CZ-OE1 3.87Å; R100-E105 IonicContact NE-OE1 3.79Å; R100-E105 IonicContact NH2-OE1 3.05Å; R100-E105 PolarHBondContact NH2-OE1 2.84Å
101	S	90.1	Very high	93.9	Very high	98 Å²	98	56.5 Å²	56.5	69%	0.685	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-64	-18.1	173.6	65.2	0	0	0	0	113.4	D99	D99-S101 VanDerWaalsContact CG-OG 3.29Å; D99-S101 PolarHBondContact O-N 3.49Å; D99-S101 WeakPolarHBondContact OD1-CB 3.26Å; D99-S101 PolarHBondContact OD1-N 3.36Å; D99-S101 PolarHBondContact OD1-OG 2.87Å
102	L	91.4	Very high	94	Very high	87 Å²	87	60.2 Å²	60.2	46%	0.455	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-85.6	-11.4	174.7	-58.2	173.2	0	0	0	112.8	Q57 I98 D99 R100	Q57-L102 HydrophobicContact CG-CD1 4.26Å; I98-L102 HydrophobicContact CD1-CB 4.25Å; D99-L102 HydrophobicContact CB-CD1 4.16Å; D99-L102 HydrophobicContact CB-CG 4.26Å; D99-L102 WeakPolarHBondContact O-CB 3.5Å; D99-L102 PolarHBondContact O-N 3.18Å; R100-L102 PolarHBondContact O-N 3.22Å
103	W	94.5	Very high	94.1	Very high	29 Å²	29	60.7 Å²	60.7	11%	0.11	32%	0.32	C	S	.	.	S	Bend	trans	-69.3	134.8	177.3	-67.1	13.1	0	0	0	110.3	C60 A89 C95 R100 E105	C60-W103 WeakPolarHBondContact O-CA 3.47Å; A89-W103 HydrophobicContact CB-CD2 3.75Å; A89-W103 HydrophobicContact CB-CE3 3.71Å; A89-W103 HydrophobicContact CB-CG 4.14Å; A89-W103 HydrophobicContact CB-CZ3 4.12Å; A89-W103 WeakPolarHBondContact O-CH2 3.45Å; A89-W103 WeakPolarHBondContact O-CZ2 3.07Å; C95-W103 HydrophobicContact CB-CZ2 4.31Å; C95-W103 WeakPolarHBondContact O-CZ2 3.34Å; C95-W103 PolarHBondContact O-NE1 2.99Å; R100-W103 HydrophobicContact CG-CD2 4Å; R100-W103 HydrophobicContact CG-CE3 4.1Å; R100-W103 HydrophobicContact CG-CG 4.28Å; R100-W103 WeakPolarHBondContact O-CB 3.25Å; R100-W103 PolarHBondContact O-N 3.22Å; W103-E105 HydrophobicContact CB-CG 4.31Å; W103-E105 PolarHBondContact O-N 3.29Å
104	K	95.2	Very high	94.4	Very high	117 Å²	117	63.5 Å²	63.5	51%	0.509	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-83.6	103.3	170.5	-62.5	174.8	-173.3	153.7	0	107.9	D58 C60 V61 N62	D58-K104 PolarHBondContact O-NZ 3.08Å; C60-K104 PolarHBondContact O-N 3.05Å; V61-K104 WeakPolarHBondContact CA-O 3.19Å; V61-K104 HydrophobicContact CB-CB 4.3Å; V61-K104 HydrophobicContact CG1-CB 4.01Å; V61-K104 HydrophobicContact CG2-CB 3.99Å; V61-K104 HydrophobicContact CG2-CD 3.9Å; V61-K104 HydrophobicContact CG2-CG 4.4Å; N62-K104 PolarHBondContact N-O 3.35Å
105	E	94.9	Very high	94.6	Very high	42 Å²	42	70 Å²	70	20%	0.196	36%	0.359	C	S	.	.			trans	-112.4	144	177.1	-68.9	-174.3	128.1	0	0	110.3	R100 W103 R143	R100-E105 IonicContact CZ-OE1 3.87Å; R100-E105 IonicContact NE-OE1 3.79Å; R100-E105 IonicContact NH2-OE1 3.05Å; R100-E105 PolarHBondContact NH2-OE1 2.84Å; W103-E105 HydrophobicContact CB-CG 4.31Å; W103-E105 PolarHBondContact O-N 3.29Å; E105-R143 PolarHBondContact O-NH1 3.44Å; E105-R143 VanDerWaalsContact O-NH1 3.11Å
106	P	95.9	Very high	94.8	Very high	42 Å²	42	69.9 Å²	69.9	27%	0.273	36%	0.359	S	S	.	.			trans	-64	146.2	-176.4	27.5	-34.2	0	0	0	111.3	N62 I65 Q137	N62-P106 VanDerWaalsContact O-CD 3.32Å; N62-P106 WeakPolarHBondContact O-CD 3.32Å; I65-P106 HydrophobicContact CB-CG 3.87Å; I65-P106 HydrophobicContact CG1-CG 4.48Å; P106-Q137 PolarHBondContact O-NE2 3.27Å
107	L	95.8	Very high	95.1	Very high	85 Å²	85	69.8 Å²	69.8	45%	0.445	36%	0.362	S	S	.	.			trans	-139.3	109.6	-176.3	-170.9	70.8	0	0	0	109.9	C109 D141 R143	L107-C109 VanDerWaalsContact CD1-SG 3.6Å; L107-D141 HydrophobicContact CD1-CB 4.5Å; L107-R143 HydrophobicContact CD1-CB 3.94Å; L107-R143 HydrophobicContact CD2-CB 3.95Å
108	N	94.9	Very high	95.4	Very high	82 Å²	82	75.2 Å²	75.2	44%	0.439	38%	0.38	S	S	.	.			trans	-110.9	-20.5	174.4	72.8	16.1	0	0	0	113	V110 Q137	N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 3.49Å; N108-V110 PolarHBondContact OD1-N 3.47Å; N108-Q137 PolarHBondContact OD1-OE1 3.31Å
109	C	96.9	Very high	95.7	Very high	41 Å²	41	78.2 Å²	78.2	28%	0.277	39%	0.391	S	S	.	.			trans	51.3	44.8	-178.2	-64.9	0	0	0	0	114.8	L107 K138 C144	L107-C109 VanDerWaalsContact CD1-SG 3.6Å; C109-K138 WeakPolarHBondContact O-CB 3.44Å; C109-C144 WeakPolarHBondContact CA-SG 3.39Å; C109-C144 HydrophobicContact CB-CB 3.76Å; C109-C144 WeakPolarHBondContact CB-SG 3.33Å; C109-C144 WeakPolarHBondContact SG-CA 3.5Å; C109-C144 WeakPolarHBondContact SG-CB 3.48Å; C109-C144 CovalentContact SG-SG 2.04Å; C109-C144 PolarHBondContact SG-SG 2.96Å
110	V	97	Very high	96	Very high	62 Å²	62	74.6 Å²	74.6	38%	0.376	38%	0.375	S	S	.	.			trans	-113.8	146.6	176.4	179.7	0	0	0	0	111.3	N108 Q137 K138	N108-V110 VanDerWaalsContact C-N 3.32Å; N108-V110 PolarHBondContact O-N 3.49Å; N108-V110 PolarHBondContact OD1-N 3.47Å; V110-Q137 PolarHBondContact O-N 3.18Å; V110-Q137 VanDerWaalsContact O-N 3.09Å; V110-K138 PolarHBondContact O-N 3.19Å
111	N	97.9	Very high	96.4	Very high	41 Å²	41	80 Å²	80	22%	0.219	40%	0.395	C	S	.	.	B	Isolated β-bridge	trans	-102.2	113.7	162.4	-76.5	-18	0	0	0	108.1	V113 C116 C136 K138 S139	N111-V113 VanDerWaalsContact C-N 3.32Å; N111-C116 HydrophobicContact CB-CB 3.75Å; N111-C116 WeakPolarHBondContact ND2-CB 3.41Å; N111-C116 WeakPolarHBondContact OD1-CB 3.49Å; N111-C136 VanDerWaalsContact OD1-C 3.28Å; N111-C136 VanDerWaalsContact OD1-CA 3.3Å; N111-C136 WeakPolarHBondContact OD1-CA 3.47Å; N111-C136 PolarHBondContact OD1-O 3.22Å; N111-K138 WeakPolarHBondContact OD1-CB 3.25Å; N111-S139 PolarHBondContact ND2-OG 3.33Å; N111-S139 PolarHBondContact OD1-N 3.41Å; N111-S139 PolarHBondContact OD1-OG 2.82Å
112	H	97.4	Very high	96.8	Very high	101 Å²	101	81 Å²	81	47%	0.468	39%	0.389	S	S	.	.	S	Bend	trans	-83.8	-10	-179.4	-66.7	-73.5	0	0	0	113.1	K135	H112-K135 HydrophobicContact CB-CD 4.3Å; H112-K135 WeakPolarHBondContact CB-O 3.42Å; H112-K135 PolarHBondContact N-O 2.65Å
113	V	97.1	Very high	97.1	Very high	46 Å²	46	78.3 Å²	78.3	28%	0.279	38%	0.382	S	S	.	.	S	Bend	trans	-133	146.4	176	-60.9	0	0	0	0	110.8	N111 Y115 C116 W119	N111-V113 VanDerWaalsContact C-N 3.32Å; V113-Y115 PolarHBondContact O-N 3.11Å; V113-C116 WeakPolarHBondContact CG2-SG 3.46Å; V113-C116 PolarHBondContact O-N 3.48Å; V113-C116 PolarHBondContact O-SG 3.04Å; V113-W119 HydrophobicContact CG2-CE3 4.22Å; V113-W119 HydrophobicContact CG2-CH2 3.91Å; V113-W119 HydrophobicContact CG2-CZ3 3.45Å; V113-W119 VanDerWaalsContact CG2-CZ3 3.45Å
114	V	97.8	Very high	97.3	Very high	124 Å²	124	77.4 Å²	77.4	75%	0.752	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-28.1	-172.9	67.3	0	0	0	0	113.3	C116	V114-C116 VanDerWaalsContact C-N 3.32Å; V114-C116 PolarHBondContact O-N 3.23Å
115	Y	97.7	Very high	97.4	Very high	142 Å²	142	73 Å²	73	56%	0.557	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	1.4	-176	-53.5	-66.8	0	0	0	114.4	V113 E117 Y118 W119	V113-Y115 PolarHBondContact O-N 3.11Å; Y115-E117 VanDerWaalsContact C-N 3.3Å; Y115-E117 PolarHBondContact O-N 3.11Å; Y115-Y118 WeakPolarHBondContact O-CB 3.3Å; Y115-Y118 PolarHBondContact O-N 2.03Å; Y115-Y118 VanDerWaalsContact O-N 3.07Å; Y115-W119 HydrophobicContact CD2-CZ2 4.1Å; Y115-W119 HydrophobicContact CG-CZ2 4.31Å; Y115-W119 PolarHBondContact O-N 3.31Å
116	C	98.5	Very high	97.5	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-53.9	-43.5	-175.4	-76.2	0	0	0	0	113.7	N111 V113 V114 A120 K135 C136	N111-C116 HydrophobicContact CB-CB 3.75Å; N111-C116 WeakPolarHBondContact ND2-CB 3.41Å; N111-C116 WeakPolarHBondContact OD1-CB 3.49Å; V113-C116 WeakPolarHBondContact CG2-SG 3.46Å; V113-C116 PolarHBondContact O-N 3.48Å; V113-C116 PolarHBondContact O-SG 3.04Å; V114-C116 VanDerWaalsContact C-N 3.32Å; V114-C116 PolarHBondContact O-N 3.23Å; C116-A120 VanDerWaalsContact O-CB 3.24Å; C116-A120 WeakPolarHBondContact O-CB 3.32Å; C116-A120 PolarHBondContact O-N 2.8Å; C116-K135 PolarHBondContact SG-O 3.48Å; C116-K135 VanDerWaalsContact SG-O 3.39Å; C116-C136 WeakPolarHBondContact CA-SG 3.48Å; C116-C136 HydrophobicContact CB-CB 3.47Å; C116-C136 VanDerWaalsContact CB-CB 3.47Å; C116-C136 WeakPolarHBondContact CB-SG 3.41Å; C116-C136 WeakPolarHBondContact SG-CA 3.24Å; C116-C136 WeakPolarHBondContact SG-CB 3.05Å; C116-C136 CovalentContact SG-SG 2.03Å; C116-C136 PolarHBondContact SG-SG 3.1Å
117	E	97.8	Very high	97.5	Very high	104 Å²	104	80.2 Å²	80.2	49%	0.486	41%	0.41	S	S	.	.	H	α-helix	trans	-66.4	-42.4	178.3	-65.8	-172.1	-175.9	0	0	112	Y115 A120 R121 S139	Y115-E117 VanDerWaalsContact C-N 3.3Å; Y115-E117 PolarHBondContact O-N 3.11Å; E117-A120 PolarHBondContact O-N 3.34Å; E117-R121 WeakPolarHBondContact O-CG 2.95Å; E117-R121 PolarHBondContact O-N 3.03Å; E117-S139 PolarHBondContact N-OG 3.32Å
118	Y	98.4	Very high	97.6	Very high	136 Å²	136	83.4 Å²	83.4	53%	0.533	42%	0.417	S	S	.	.	H	α-helix	trans	-61	-51.7	176.2	170.8	-101.9	0	0	0	110.6	Y115 A120 R121 Q122	Y115-Y118 WeakPolarHBondContact O-CB 3.3Å; Y115-Y118 PolarHBondContact O-N 2.03Å; Y115-Y118 VanDerWaalsContact O-N 3.07Å; Y118-A120 VanDerWaalsContact C-N 3.32Å; Y118-A120 PolarHBondContact O-N 3.28Å; Y118-R121 WeakPolarHBondContact O-CB 3.38Å; Y118-R121 PolarHBondContact O-N 3.16Å; Y118-R121 VanDerWaalsContact O-N 3.14Å; Y118-Q122 HydrophobicContact CD1-CG 4.5Å; Y118-Q122 HydrophobicContact CE1-CG 4.05Å; Y118-Q122 HydrophobicContact CE2-CG 4.08Å; Y118-Q122 WeakPolarHBondContact O-CG 3.01Å; Y118-Q122 PolarHBondContact O-N 2.03Å
119	W	98.4	Very high	97.6	Very high	75 Å²	75	84.8 Å²	84.8	28%	0.284	42%	0.416	S	S	.	.	H	α-helix	trans	-60.4	-40.2	178	-65.2	-21.6	0	0	0	112.6	V113 Y115 R121 Q122 G123 A124 Y131 M132	V113-W119 HydrophobicContact CG2-CE3 4.22Å; V113-W119 HydrophobicContact CG2-CH2 3.91Å; V113-W119 HydrophobicContact CG2-CZ3 3.45Å; V113-W119 VanDerWaalsContact CG2-CZ3 3.45Å; Y115-W119 HydrophobicContact CD2-CZ2 4.1Å; Y115-W119 HydrophobicContact CG-CZ2 4.31Å; Y115-W119 PolarHBondContact O-N 3.31Å; W119-R121 VanDerWaalsContact C-N 3.33Å; W119-R121 PolarHBondContact O-N 3.08Å; W119-Q122 CarbonylContact O-C 3.27Å; W119-Q122 PolarHBondContact O-N 3.05Å; W119-Q122 VanDerWaalsContact O-N 3.12Å; W119-G123 PolarHBondContact O-N 3.21Å; W119-A124 HydrophobicContact CB-CB 3.81Å; W119-A124 WeakPolarHBondContact O-CB 3.41Å; W119-A124 PolarHBondContact O-N 3.14Å; W119-Y131 HydrophobicContact CZ3-CE1 4Å; W119-M132 HydrophobicContact CB-CE 3.71Å; W119-M132 HydrophobicContact CB-SD 4.22Å; W119-M132 HydrophobicContact CE3-CE 4.32Å; W119-M132 HydrophobicContact CE3-SD 3.9Å
120	A	98.3	Very high	97.5	Very high	24 Å²	24	83.8 Å²	83.8	20%	0.198	41%	0.408	C	S	.	.	H	α-helix	trans	-60	-43	175.4	0	0	0	0	0	112	C116 E117 Y118 Q122 G123 C125	C116-A120 VanDerWaalsContact O-CB 3.24Å; C116-A120 WeakPolarHBondContact O-CB 3.32Å; C116-A120 PolarHBondContact O-N 2.8Å; E117-A120 PolarHBondContact O-N 3.34Å; Y118-A120 VanDerWaalsContact C-N 3.32Å; Y118-A120 PolarHBondContact O-N 3.28Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 3.17Å; A120-G123 PolarHBondContact O-N 3.12Å; A120-C125 VanDerWaalsContact CA-SG 3.6Å; A120-C125 WeakPolarHBondContact CB-SG 3.45Å
121	R	98.1	Very high	97.5	Very high	201 Å²	201	85.7 Å²	85.7	76%	0.758	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-31.8	174.3	-69.8	176.8	-169.1	172.1	7.2	112.8	E117 Y118 W119 G123	E117-R121 WeakPolarHBondContact O-CG 2.95Å; E117-R121 PolarHBondContact O-N 3.03Å; Y118-R121 WeakPolarHBondContact O-CB 3.38Å; Y118-R121 PolarHBondContact O-N 3.16Å; Y118-R121 VanDerWaalsContact O-N 3.14Å; W119-R121 VanDerWaalsContact C-N 3.33Å; W119-R121 PolarHBondContact O-N 3.08Å; R121-G123 PolarHBondContact O-N 3.42Å
122	Q	98.1	Very high	97.5	Very high	121 Å²	121	83.8 Å²	83.8	57%	0.565	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	6.1	173.6	-59.1	-52.1	-51	0	0	113.6	Y118 W119 A120	Y118-Q122 HydrophobicContact CD1-CG 4.5Å; Y118-Q122 HydrophobicContact CE1-CG 4.05Å; Y118-Q122 HydrophobicContact CE2-CG 4.08Å; Y118-Q122 WeakPolarHBondContact O-CG 3.01Å; Y118-Q122 PolarHBondContact O-N 2.03Å; W119-Q122 CarbonylContact O-C 3.27Å; W119-Q122 PolarHBondContact O-N 3.05Å; W119-Q122 VanDerWaalsContact O-N 3.12Å; A120-Q122 VanDerWaalsContact C-N 3.28Å; A120-Q122 PolarHBondContact O-N 3.17Å
123	G	97.9	Very high	97.5	Very high	29 Å²	29	79.6 Å²	79.6	30%	0.299	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	9.1	177.8	0	0	0	0	0	115	W119 A120 R121 C125 S126 L127	W119-G123 PolarHBondContact O-N 3.21Å; A120-G123 PolarHBondContact O-N 3.12Å; R121-G123 PolarHBondContact O-N 3.42Å; G123-C125 PolarHBondContact O-N 3.23Å; G123-C125 VanDerWaalsContact O-N 3.14Å; G123-S126 PolarHBondContact O-N 2.86Å; G123-L127 PolarHBondContact O-N 3.14Å
124	A	98.3	Very high	97.5	Very high	10 Å²	10	81.9 Å²	81.9	8%	0.083	38%	0.384	C	S	.	.	H	α-helix	trans	-59.2	-28.9	-179.4	0	0	0	0	0	112.9	W119 S126 L127 Y128 M132	W119-A124 HydrophobicContact CB-CB 3.81Å; W119-A124 WeakPolarHBondContact O-CB 3.41Å; W119-A124 PolarHBondContact O-N 3.14Å; A124-S126 PolarHBondContact O-N 3.45Å; A124-L127 PolarHBondContact O-N 3.07Å; A124-Y128 HydrophobicContact CB-CD2 4.07Å; A124-Y128 CarbonylContact O-C 3.52Å; A124-Y128 WeakPolarHBondContact O-CA 3.05Å; A124-Y128 PolarHBondContact O-N 3.05Å; A124-M132 HydrophobicContact CB-CE 3.97Å; A124-M132 HydrophobicContact CB-CG 3.96Å; A124-M132 HydrophobicContact CB-SD 3.86Å; A124-M132 WeakPolarHBondContact O-CG 3.42Å
125	C	98	Very high	97.5	Very high	24 Å²	24	78.6 Å²	78.6	16%	0.162	36%	0.359	C	S	.	.	H	α-helix	trans	-58.4	-31	176.9	-56.7	0	0	0	0	113.1	A120 G123 R129 C140	A120-C125 VanDerWaalsContact CA-SG 3.6Å; A120-C125 WeakPolarHBondContact CB-SG 3.45Å; G123-C125 PolarHBondContact O-N 3.23Å; G123-C125 VanDerWaalsContact O-N 3.14Å; C125-R129 WeakPolarHBondContact O-CA 3.5Å; C125-R129 WeakPolarHBondContact O-CB 3.37Å; C125-C140 WeakPolarHBondContact CA-SG 3.13Å; C125-C140 HydrophobicContact CB-CB 3.6Å; C125-C140 WeakPolarHBondContact CB-SG 3.28Å; C125-C140 WeakPolarHBondContact SG-CA 3.49Å; C125-C140 WeakPolarHBondContact SG-CB 3.17Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.14Å
126	S	96.9	Very high	97.5	Very high	108 Å²	108	71.9 Å²	71.9	76%	0.755	33%	0.333	S	S	*	.	H	α-helix	trans	-88.6	-42.6	178.2	-59.4	0	0	0	0	111.4	G123 A124	G123-S126 PolarHBondContact O-N 2.86Å; A124-S126 PolarHBondContact O-N 3.45Å
127	L	97	Very high	97.4	Very high	128 Å²	128	72 Å²	72	67%	0.67	33%	0.334	S	S	*	.	H	α-helix	trans	-72.6	-41.9	-176.5	-67.7	171.1	0	0	0	113	G123 A124	G123-L127 PolarHBondContact O-N 3.14Å; A124-L127 PolarHBondContact O-N 3.07Å
128	Y	96.2	Very high	97.4	Very high	152 Å²	152	72.7 Å²	72.7	60%	0.596	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	44.3	-173.5	-51.6	-64	0	0	0	111.1	A124 D130 Y131 M132	A124-Y128 HydrophobicContact CB-CD2 4.07Å; A124-Y128 CarbonylContact O-C 3.52Å; A124-Y128 WeakPolarHBondContact O-CA 3.05Å; A124-Y128 PolarHBondContact O-N 3.05Å; Y128-D130 PolarHBondContact O-N 2.9Å; Y128-Y131 PolarHBondContact O-N 3.05Å; Y128-M132 WeakPolarHBondContact O-CB 3.38Å; Y128-M132 WeakPolarHBondContact O-CG 3.46Å; Y128-M132 PolarHBondContact O-N 3.05Å
129	R	95.4	Very high	97.4	Very high	111 Å²	111	67.3 Å²	67.3	42%	0.419	32%	0.317	S	S	.	.	H	α-helix	trans	-48.5	-51.3	-168.5	-176	-179.1	175.9	87.7	1.3	114.1	C125 Y131 M132 L133	C125-R129 WeakPolarHBondContact O-CA 3.5Å; C125-R129 WeakPolarHBondContact O-CB 3.37Å; R129-Y131 PolarHBondContact O-N 3.37Å; R129-M132 PolarHBondContact O-N 3.43Å; R129-L133 HydrophobicContact CG-CD1 3.87Å; R129-L133 HydrophobicContact CG-CG 4.27Å; R129-L133 WeakPolarHBondContact O-CB 3.45Å; R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 3.31Å
130	D	95.5	Very high	97.3	Very high	21 Å²	21	64.6 Å²	64.6	11%	0.112	31%	0.31	C	S	.	.	H	α-helix	trans	-66.4	-41.4	-174.3	-59.9	-39.2	0	0	0	111.6	N68 F69 K72 Y128 W134	N68-D130 PolarHBondContact ND2-OD1 2.99Å; F69-D130 HydrophobicContact CB-CB 4.03Å; K72-D130 IonicContact NZ-OD1 3.74Å; K72-D130 IonicContact NZ-OD2 2.7Å; K72-D130 PolarHBondContact NZ-OD2 3.31Å; Y128-D130 PolarHBondContact O-N 2.9Å; D130-W134 WeakPolarHBondContact O-CB 3.47Å; D130-W134 PolarHBondContact O-N 3.12Å; D130-W134 VanDerWaalsContact O-N 3.07Å
131	Y	96.8	Very high	97.2	Very high	101 Å²	101	64.1 Å²	64.1	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-45	175.1	177.5	-94.4	0	0	0	111.7	W119 Y128 R129 W134 K135	W119-Y131 HydrophobicContact CZ3-CE1 4Å; Y128-Y131 PolarHBondContact O-N 3.05Å; R129-Y131 PolarHBondContact O-N 3.37Å; Y131-W134 HydrophobicContact CD2-CE3 4.18Å; Y131-W134 HydrophobicContact CD2-CZ3 4.42Å; Y131-W134 HydrophobicContact CE2-CE3 4.47Å; Y131-W134 HydrophobicContact CE2-CZ3 4.44Å; Y131-W134 PolarHBondContact O-N 3.41Å; Y131-K135 HydrophobicContact CD2-CG 4.36Å; Y131-K135 HydrophobicContact CE1-CB 4.33Å; Y131-K135 HydrophobicContact CE1-CG 4.3Å; Y131-K135 HydrophobicContact CE2-CG 3.84Å; Y131-K135 PolarHBondContact O-N 3.28Å
132	M	97.8	Very high	97	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-69.8	-35	-178.7	-71.3	-60.8	-66.6	0	0	112.5	W119 A124 Y128 R129 W134 C136 Q137 C140	W119-M132 HydrophobicContact CB-CE 3.71Å; W119-M132 HydrophobicContact CB-SD 4.22Å; W119-M132 HydrophobicContact CE3-CE 4.32Å; W119-M132 HydrophobicContact CE3-SD 3.9Å; A124-M132 HydrophobicContact CB-CE 3.97Å; A124-M132 HydrophobicContact CB-CG 3.96Å; A124-M132 HydrophobicContact CB-SD 3.86Å; A124-M132 WeakPolarHBondContact O-CG 3.42Å; Y128-M132 WeakPolarHBondContact O-CB 3.38Å; Y128-M132 WeakPolarHBondContact O-CG 3.46Å; Y128-M132 PolarHBondContact O-N 3.05Å; R129-M132 PolarHBondContact O-N 3.43Å; M132-W134 VanDerWaalsContact C-N 3.34Å; M132-C136 HydrophobicContact CE-CB 3.6Å; M132-C136 CarbonylContact O-C 3.59Å; M132-C136 WeakPolarHBondContact O-CA 3.1Å; M132-C136 WeakPolarHBondContact O-CB 3.42Å; M132-C136 PolarHBondContact O-N 2.89Å; M132-C136 HydrophobicContact SD-CB 4.26Å; M132-Q137 PolarHBondContact O-N 3.11Å; M132-C140 HydrophobicContact CB-CB 4.33Å; M132-C140 WeakPolarHBondContact CE-SG 3.46Å
133	L	96.6	Very high	96.9	Very high	13 Å²	13	57.6 Å²	57.6	7%	0.068	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-40.8	170.6	-72.3	177.3	0	0	0	110.6	I65 R129 Q137 C140 D141	I65-L133 HydrophobicContact CD1-CB 4.24Å; I65-L133 WeakPolarHBondContact CD1-O 3.45Å; I65-L133 HydrophobicContact CG1-CB 4.33Å; R129-L133 HydrophobicContact CG-CD1 3.87Å; R129-L133 HydrophobicContact CG-CG 4.27Å; R129-L133 WeakPolarHBondContact O-CB 3.45Å; R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 3.31Å; L133-Q137 WeakPolarHBondContact O-CA 3.38Å; L133-Q137 VanDerWaalsContact O-CB 3.26Å; L133-Q137 WeakPolarHBondContact O-CB 3.4Å; L133-Q137 PolarHBondContact O-N 3.41Å; L133-C140 HydrophobicContact CD2-CB 4.35Å; L133-D141 HydrophobicContact CD2-CB 3.94Å
134	W	97.1	Very high	96.8	Very high	94 Å²	94	57.4 Å²	57.4	36%	0.356	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-47.5	178	175.9	40	0	0	0	113.9	I65 L66 D130 Y131 M132	I65-W134 HydrophobicContact CG2-CB 4.12Å; I65-W134 HydrophobicContact CG2-CG 4.17Å; L66-W134 HydrophobicContact CD1-CD2 4.25Å; L66-W134 HydrophobicContact CD2-CB 3.76Å; L66-W134 HydrophobicContact CD2-CD2 4.03Å; L66-W134 HydrophobicContact CD2-CE3 4.28Å; L66-W134 HydrophobicContact CD2-CG 3.81Å; L66-W134 HydrophobicContact CG-CD2 4.45Å; L66-W134 HydrophobicContact CG-CG 4.24Å; D130-W134 WeakPolarHBondContact O-CB 3.47Å; D130-W134 PolarHBondContact O-N 3.12Å; D130-W134 VanDerWaalsContact O-N 3.07Å; Y131-W134 HydrophobicContact CD2-CE3 4.18Å; Y131-W134 HydrophobicContact CD2-CZ3 4.42Å; Y131-W134 HydrophobicContact CE2-CE3 4.47Å; Y131-W134 HydrophobicContact CE2-CZ3 4.44Å; Y131-W134 PolarHBondContact O-N 3.41Å; M132-W134 VanDerWaalsContact C-N 3.34Å
135	K	97.7	Very high	96.4	Very high	55 Å²	55	64.7 Å²	64.7	24%	0.239	31%	0.306	C	S	.	.	H	α-helix	trans	-95.8	-23.5	-174.5	-67.9	-61.6	-173.6	-175.4	0	114.3	H112 C116 Y131	H112-K135 HydrophobicContact CB-CD 4.3Å; H112-K135 WeakPolarHBondContact CB-O 3.42Å; H112-K135 PolarHBondContact N-O 2.65Å; C116-K135 PolarHBondContact SG-O 3.48Å; C116-K135 VanDerWaalsContact SG-O 3.39Å; Y131-K135 HydrophobicContact CD2-CG 4.36Å; Y131-K135 HydrophobicContact CE1-CB 4.33Å; Y131-K135 HydrophobicContact CE1-CG 4.3Å; Y131-K135 HydrophobicContact CE2-CG 3.84Å; Y131-K135 PolarHBondContact O-N 3.28Å
136	C	98.1	Very high	95.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-136.6	39.1	-166.8	-62.8	0	0	0	0	111.9	N111 C116 M132 K138 S139 C140	N111-C136 VanDerWaalsContact OD1-C 3.28Å; N111-C136 VanDerWaalsContact OD1-CA 3.3Å; N111-C136 WeakPolarHBondContact OD1-CA 3.47Å; N111-C136 PolarHBondContact OD1-O 3.22Å; C116-C136 WeakPolarHBondContact CA-SG 3.48Å; C116-C136 HydrophobicContact CB-CB 3.47Å; C116-C136 VanDerWaalsContact CB-CB 3.47Å; C116-C136 WeakPolarHBondContact CB-SG 3.41Å; C116-C136 WeakPolarHBondContact SG-CA 3.24Å; C116-C136 WeakPolarHBondContact SG-CB 3.05Å; C116-C136 CovalentContact SG-SG 2.03Å; C116-C136 PolarHBondContact SG-SG 3.1Å; M132-C136 HydrophobicContact CE-CB 3.6Å; M132-C136 CarbonylContact O-C 3.59Å; M132-C136 WeakPolarHBondContact O-CA 3.1Å; M132-C136 WeakPolarHBondContact O-CB 3.42Å; M132-C136 PolarHBondContact O-N 2.89Å; M132-C136 HydrophobicContact SD-CB 4.26Å; C136-K138 VanDerWaalsContact C-N 3.26Å; C136-K138 PolarHBondContact O-N 3.23Å; C136-S139 PolarHBondContact O-N 3.23Å; C136-C140 PolarHBondContact O-N 3.22Å; C136-C140 VanDerWaalsContact O-N 3.11Å
137	Q	97.7	Very high	95	Very high	3 Å²	3	71.3 Å²	71.3	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-57	-42.1	-171.5	-161	171	29.3	0	0	111.7	I65 P106 N108 V110 M132 L133 S139 C140 D141	I65-Q137 HydrophobicContact CD1-CG 4.35Å; P106-Q137 PolarHBondContact O-NE2 3.27Å; N108-Q137 PolarHBondContact OD1-OE1 3.31Å; V110-Q137 PolarHBondContact O-N 3.18Å; V110-Q137 VanDerWaalsContact O-N 3.09Å; M132-Q137 PolarHBondContact O-N 3.11Å; L133-Q137 WeakPolarHBondContact O-CA 3.38Å; L133-Q137 VanDerWaalsContact O-CB 3.26Å; L133-Q137 WeakPolarHBondContact O-CB 3.4Å; L133-Q137 PolarHBondContact O-N 3.41Å; Q137-S139 VanDerWaalsContact C-N 3.26Å; Q137-S139 PolarHBondContact O-N 2.99Å; Q137-C140 PolarHBondContact O-N 3.47Å; Q137-D141 HydrophobicContact CG-CB 3.73Å; Q137-D141 PolarHBondContact NE2-OD2 3.21Å; Q137-D141 VanDerWaalsContact O-CB 3.25Å; Q137-D141 WeakPolarHBondContact O-CB 3.2Å; Q137-D141 PolarHBondContact O-N 3.1Å
138	K	97.8	Very high	94.2	Very high	118 Å²	118	74 Å²	74	51%	0.513	34%	0.337	S	S	.	.	H	α-helix	trans	-56	-42.1	178.2	-169.2	178.9	176.1	-179.6	0	112.4	C109 V110 N111 C136	C109-K138 WeakPolarHBondContact O-CB 3.44Å; V110-K138 PolarHBondContact O-N 3.19Å; N111-K138 WeakPolarHBondContact OD1-CB 3.25Å; C136-K138 VanDerWaalsContact C-N 3.26Å; C136-K138 PolarHBondContact O-N 3.23Å
139	S	97.5	Very high	93.2	Very high	24 Å²	24	75.7 Å²	75.7	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-78.5	-26.4	-177.7	-70.4	0	0	0	0	113.7	N111 E117 C136 Q137	N111-S139 PolarHBondContact ND2-OG 3.33Å; N111-S139 PolarHBondContact OD1-N 3.41Å; N111-S139 PolarHBondContact OD1-OG 2.82Å; E117-S139 PolarHBondContact N-OG 3.32Å; C136-S139 PolarHBondContact O-N 3.23Å; Q137-S139 VanDerWaalsContact C-N 3.26Å; Q137-S139 PolarHBondContact O-N 2.99Å
140	C	97.5	Very high	92.2	Very high	18 Å²	18	79.2 Å²	79.2	12%	0.122	37%	0.367	C	S	.	.	H	α-helix	trans	-114	-21.4	-169.9	-69.1	0	0	0	0	115.9	C125 M132 L133 C136 Q137	C125-C140 WeakPolarHBondContact CA-SG 3.13Å; C125-C140 HydrophobicContact CB-CB 3.6Å; C125-C140 WeakPolarHBondContact CB-SG 3.28Å; C125-C140 WeakPolarHBondContact SG-CA 3.49Å; C125-C140 WeakPolarHBondContact SG-CB 3.17Å; C125-C140 CovalentContact SG-SG 2.03Å; C125-C140 PolarHBondContact SG-SG 3.14Å; M132-C140 HydrophobicContact CB-CB 4.33Å; M132-C140 WeakPolarHBondContact CE-SG 3.46Å; L133-C140 HydrophobicContact CD2-CB 4.35Å; C136-C140 PolarHBondContact O-N 3.22Å; C136-C140 VanDerWaalsContact O-N 3.11Å; Q137-C140 PolarHBondContact O-N 3.47Å
141	D	95.9	Very high	91.4	Very high	13 Å²	13	83.1 Å²	83.1	7%	0.07	39%	0.392	C	S	.	.			trans	-89.1	121.8	177.9	-160.6	-37.1	0	0	0	110	L107 L133 Q137 R143 C144	L107-D141 HydrophobicContact CD1-CB 4.5Å; L133-D141 HydrophobicContact CD2-CB 3.94Å; Q137-D141 HydrophobicContact CG-CB 3.73Å; Q137-D141 PolarHBondContact NE2-OD2 3.21Å; Q137-D141 VanDerWaalsContact O-CB 3.25Å; Q137-D141 WeakPolarHBondContact O-CB 3.2Å; Q137-D141 PolarHBondContact O-N 3.1Å; D141-R143 PolarHBondContact O-N 3.21Å; D141-R143 VanDerWaalsContact OD1-CB 3.31Å; D141-R143 WeakPolarHBondContact OD1-CB 3.21Å; D141-R143 WeakPolarHBondContact OD1-CG 3.29Å; D141-R143 IonicContact OD1-CZ 2.65Å; D141-R143 PolarHBondContact OD1-N 3.34Å; D141-R143 IonicContact OD1-NE 3.68Å; D141-R143 PolarHBondContact OD1-NE 3.48Å; D141-R143 VanDerWaalsContact OD1-NE 3.09Å; D141-R143 IonicContact OD1-NH2 2.72Å; D141-R143 IonicContact OD2-CZ 3.13Å; D141-R143 IonicContact OD2-NE 3.99Å; D141-R143 PolarHBondContact OD2-NE 3.06Å; D141-R143 IonicContact OD2-NH2 3.05Å; D141-R143 PolarHBondContact OD2-NH2 3.19Å; D141-C144 WeakPolarHBondContact O-CB 3.26Å; D141-C144 PolarHBondContact O-N 2.99Å; D141-C144 VanDerWaalsContact O-N 3.08Å
142	S	94.1	Very high	90.4	Very high	85 Å²	85	84 Å²	84	59%	0.594	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-62.3	-26	179.3	51.7	0	0	0	0	112.4	C144 R145	S142-C144 PolarHBondContact O-N 3.44Å; S142-R145 WeakPolarHBondContact O-CB 3.49Å; S142-R145 PolarHBondContact O-N 3.14Å
143	R	94.4	Very high	89.3	Confident	101 Å²	101	91.6 Å²	91.6	38%	0.381	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-66.1	-19.1	176.7	-61.8	176.5	-68.7	167.1	3	112.8	E105 L107 D141	E105-R143 PolarHBondContact O-NH1 3.44Å; E105-R143 VanDerWaalsContact O-NH1 3.11Å; L107-R143 HydrophobicContact CD1-CB 3.94Å; L107-R143 HydrophobicContact CD2-CB 3.95Å; D141-R143 PolarHBondContact O-N 3.21Å; D141-R143 VanDerWaalsContact OD1-CB 3.31Å; D141-R143 WeakPolarHBondContact OD1-CB 3.21Å; D141-R143 WeakPolarHBondContact OD1-CG 3.29Å; D141-R143 IonicContact OD1-CZ 2.65Å; D141-R143 PolarHBondContact OD1-N 3.34Å; D141-R143 IonicContact OD1-NE 3.68Å; D141-R143 PolarHBondContact OD1-NE 3.48Å; D141-R143 VanDerWaalsContact OD1-NE 3.09Å; D141-R143 IonicContact OD1-NH2 2.72Å; D141-R143 IonicContact OD2-CZ 3.13Å; D141-R143 IonicContact OD2-NE 3.99Å; D141-R143 PolarHBondContact OD2-NE 3.06Å; D141-R143 IonicContact OD2-NH2 3.05Å; D141-R143 PolarHBondContact OD2-NH2 3.19Å
144	C	95.9	Very high	88	Confident	24 Å²	24	99.8 Å²	99.8	16%	0.162	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-85.7	-4.9	177.3	-61.8	0	0	0	0	114.1	C109 D141 S142	C109-C144 WeakPolarHBondContact CA-SG 3.39Å; C109-C144 HydrophobicContact CB-CB 3.76Å; C109-C144 WeakPolarHBondContact CB-SG 3.33Å; C109-C144 WeakPolarHBondContact SG-CA 3.5Å; C109-C144 WeakPolarHBondContact SG-CB 3.48Å; C109-C144 CovalentContact SG-SG 2.04Å; C109-C144 PolarHBondContact SG-SG 2.96Å; D141-C144 WeakPolarHBondContact O-CB 3.26Å; D141-C144 PolarHBondContact O-N 2.99Å; D141-C144 VanDerWaalsContact O-N 3.08Å; S142-C144 PolarHBondContact O-N 3.44Å
145	R	91.1	Very high	86.7	Confident	163 Å²	163	101.3 Å²	101.3	62%	0.615	50%	0.499	S	S	*	.	S	Bend	trans	-80.9	141.4	179	-62.6	-179	-176.6	174.5	0.7	110.2	S142 Q147	S142-R145 WeakPolarHBondContact O-CB 3.49Å; S142-R145 PolarHBondContact O-N 3.14Å; R145-Q147 PolarHBondContact O-N 3.46Å
146	P	86.3	Confident	85.5	Confident	97 Å²	97	107.7 Å²	107.7	63%	0.63	53%	0.527	S	S	*	.			trans	-56.5	123.6	170.4	-21.9	32	0	0	0	110.1	F148	P146-F148 HydrophobicContact CB-CD2 4.4Å; P146-F148 HydrophobicContact CB-CE2 3.92Å; P146-F148 HydrophobicContact CB-CZ 4.05Å; P146-F148 HydrophobicContact CG-CE2 4.47Å; P146-F148 PolarHBondContact O-N 3.1Å; P146-F148 VanDerWaalsContact O-N 3.12Å
147	Q	78	Confident	84	Confident	175 Å²	175	117.7 Å²	117.7	82%	0.818	57%	0.571	S	S	*	*			trans	-79.3	93.1	172.4	-63.4	-157.1	34.7	0	0	108.7	R145 K149	R145-Q147 PolarHBondContact O-N 3.46Å; Q147-K149 PolarHBondContact O-N 3.49Å; Q147-K149 VanDerWaalsContact O-N 3.08Å
148	F	79.9	Confident	82.7	Confident	183 Å²	183	124.1 Å²	124.1	80%	0.803	61%	0.61	S	S	*	*			trans	-70.4	102.5	171.8	-64.8	-78	0	0	0	109	P146 F150	P146-F148 HydrophobicContact CB-CD2 4.4Å; P146-F148 HydrophobicContact CB-CE2 3.92Å; P146-F148 HydrophobicContact CB-CZ 4.05Å; P146-F148 HydrophobicContact CG-CE2 4.47Å; P146-F148 PolarHBondContact O-N 3.1Å; P146-F148 VanDerWaalsContact O-N 3.12Å; F148-F150 PolarHBondContact O-N 3.43Å; F148-F150 VanDerWaalsContact O-N 3.16Å
149	K	75.5	Confident	81.3	Confident	188 Å²	188	127.7 Å²	127.7	82%	0.817	63%	0.626	S	S	*	*			trans	-73.7	101	166.6	-69.4	-175.9	-179.3	-180	0	107.7	Q147 T151	Q147-K149 PolarHBondContact O-N 3.49Å; Q147-K149 VanDerWaalsContact O-N 3.08Å; K149-T151 PolarHBondContact O-N 3.11Å
150	F	74.7	Confident	79.6	Confident	185 Å²	185	136.5 Å²	136.5	81%	0.811	66%	0.661	S	S	*	*			trans	-72.4	96.5	172.3	-168.1	-106	0	0	0	108.8	F148 V152	F148-F150 PolarHBondContact O-N 3.43Å; F148-F150 VanDerWaalsContact O-N 3.16Å; F150-V152 HydrophobicContact CD1-CG2 3.76Å; F150-V152 HydrophobicContact CE1-CG2 3.7Å
151	T	78.7	Confident	77.8	Confident	104 Å²	104	143.8 Å²	143.8	64%	0.638	70%	0.698	S	S	*	*			trans	-81.7	114.1	166.2	48.9	0	0	0	0	107.9	K149 E153	K149-T151 PolarHBondContact O-N 3.11Å; T151-E153 VanDerWaalsContact C-N 3.25Å; T151-E153 PolarHBondContact O-N 3.05Å
152	V	75.5	Confident	76.1	Confident	118 Å²	118	152.7 Å²	152.7	72%	0.715	74%	0.736	S	S	*	*			trans	-70.5	84.9	172	-173.2	0	0	0	0	108.1	F150 K154	F150-V152 HydrophobicContact CD1-CG2 3.76Å; F150-V152 HydrophobicContact CE1-CG2 3.7Å; V152-K154 PolarHBondContact O-N 3.48Å
153	E	75	Confident	74.6	Confident	162 Å²	162	154.5 Å²	154.5	76%	0.757	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-77.4	119.9	166.5	-67.3	-165.9	175.6	0	0	108.8	T151	T151-E153 VanDerWaalsContact C-N 3.25Å; T151-E153 PolarHBondContact O-N 3.05Å
154	K	69.6	Low	73	Confident	186 Å²	186	154.3 Å²	154.3	81%	0.809	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-58.7	128.9	174.5	-67.7	-179.9	-178.5	175.4	0	108.6	V152 K156	V152-K154 PolarHBondContact O-N 3.48Å; K154-K156 PolarHBondContact O-N 2.99Å; K154-K156 VanDerWaalsContact O-N 3.1Å
155	P	69.1	Low	71.2	Confident	125 Å²	125	160 Å²	160	81%	0.812	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59	119.8	-179.8	20.8	-30.2	0	0	0	110	K157	P155-K157 PolarHBondContact O-N 3.09Å
156	K	72.6	Confident	69.1	Low	189 Å²	189	162.8 Å²	162.8	82%	0.822	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-67.1	129.9	169.1	-69.1	178.9	-178.3	171.9	0	107.7	K154 V158	K154-K156 PolarHBondContact O-N 2.99Å; K154-K156 VanDerWaalsContact O-N 3.1Å; K156-V158 PolarHBondContact O-N 3.38Å
157	K	68.4	Low	67.7	Low	210 Å²	210	164.1 Å²	164.1	91%	0.913	81%	0.812	S	S	*	*			trans	-50.9	108.9	179.3	-68.7	178.1	177.3	178.6	0	110.4	P155 K159	P155-K157 PolarHBondContact O-N 3.09Å; K157-K159 PolarHBondContact O-N 3.45Å
158	V	69	Low	66.5	Low	139 Å²	139	168.6 Å²	168.6	84%	0.842	83%	0.832	S	S	*	*			trans	-72.4	121.2	172.2	-179.4	0	0	0	0	108.1	K156 K160	K156-V158 PolarHBondContact O-N 3.38Å; V158-K160 PolarHBondContact O-N 3.13Å
159	K	69.5	Low	65.9	Low	193 Å²	193	167.9 Å²	167.9	84%	0.839	83%	0.834	S	S	*	*			trans	-70	124.5	170.2	-69.4	-178.9	179	178.4	0	108.2	K157 L161	K157-K159 PolarHBondContact O-N 3.45Å; K159-L161 PolarHBondContact O-N 3.29Å; K159-L161 VanDerWaalsContact O-N 3.14Å
160	K	61.3	Low	65.4	Low	208 Å²	208	166.8 Å²	166.8	90%	0.904	84%	0.835	S	S	*	*			trans	-54.3	114.2	173.7	-84.1	178.3	173.2	178.3	0	110.1	V158	V158-K160 PolarHBondContact O-N 3.13Å
161	L	58.8	Low	64.9	Low	171 Å²	171	165.8 Å²	165.8	90%	0.895	84%	0.836	S	S	*	*			trans	-83.7	132.2	162	-80.4	157	0	0	0	108.2	K159	K159-L161 PolarHBondContact O-N 3.29Å; K159-L161 VanDerWaalsContact O-N 3.14Å
162	K	61.9	Low	64	Low	201 Å²	201	169.4 Å²	169.4	87%	0.874	85%	0.848	S	S	*	*			trans	-66.6	136.7	-174.4	-74.9	175.7	174.2	178.8	0	111.1	S164	K162-S164 PolarHBondContact O-N 3.27Å
163	S	60.5	Low	63.3	Low	122 Å²	122	172.6 Å²	172.6	85%	0.853	86%	0.856	S	S	*	*			trans	-70.7	100.9	170.7	171.3	0	0	0	0	109.9
164	S	62.5	Low	62.5	Low	98 Å²	98	173.3 Å²	173.3	69%	0.685	86%	0.862	S	S	*	*			trans	-145.8	13.5	168.2	81.2	0	0	0	0	115.6	K162	K162-S164 PolarHBondContact O-N 3.27Å
165	N	56.7	Low	62	Low	144 Å²	144	172.4 Å²	172.4	77%	0.77	87%	0.866	S	S	*	*			trans	-130.3	78.4	179	-82.4	-19.6	0	0	0	110.9
166	Y	47.3	Very low	61.5	Low	221 Å²	221	176.1 Å²	176.1	87%	0.867	87%	0.87	S	S	*	*			trans	-137	111.5	150	-82.4	-81.3	0	0	0	106.9
167	P	57	Low	60.6	Low	124 Å²	124	175 Å²	175	81%	0.805	87%	0.874	S	S	*	*			trans	-68.5	141.3	163.7	11.5	-0.3	0	0	0	109.2
168	H	54	Low	59.9	Low	269 Å²	269	171.8 Å²	171.8	100%	1.245	87%	0.871	S	S	*	*			trans	-57.2	0	176.2	-83.3	-80.7	0	0	0	113.7

Retrieved 168 of 168 residues in 58.6 ms (Link to these results)

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