G4VBJ0_SCHMA Loading...

Malate dehydrogenase

AlphaFold DB , UniProt , Accession G4VBJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 341 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	40.1	Very low	40	Very low	229 Å²	229	166.7 Å²	166.7	100%	1.128	85%	0.849	S	S	*	*				0	118.6	0	-86.8	177.4	-171.1	0	0	108.2
2	F	41.9	Very low	39.6	Very low	196 Å²	196	158.9 Å²	158.9	86%	0.86	84%	0.841	S	S	*	*			trans	46.1	103.2	164.4	-54.8	-79.2	0	0	0	117.3
3	S	36.4	Very low	39.8	Very low	104 Å²	104	157.1 Å²	157.1	73%	0.727	83%	0.83	S	S	*	*				45.8	107.7	54.4	-159.3	0	0	0	0	115.7
4	R	40.6	Very low	39.5	Very low	249 Å²	249	153.4 Å²	153.4	94%	0.94	82%	0.823	S	S	*	*				152.9	142.1	117.5	-84.3	-173.6	172.5	-171	-3.1	112.1
5	G	43	Very low	40.2	Very low	78 Å²	78	155.4 Å²	155.4	80%	0.804	82%	0.822	S	S	*	*			trans	149.2	70.6	156.6	0	0	0	0	0	115.1
6	A	41.4	Very low	40.2	Very low	96 Å²	96	159.6 Å²	159.6	79%	0.793	82%	0.823	S	S	*	*			trans	-77	126.6	164.2	0	0	0	0	0	109.5
7	N	42.4	Very low	40.3	Very low	152 Å²	152	155.6 Å²	155.6	81%	0.813	81%	0.812	S	S	*	*			trans	-116.3	108	165.8	-94	-25.7	0	0	0	108.7
8	V	41.1	Very low	40.5	Very low	132 Å²	132	157.9 Å²	157.9	80%	0.8	82%	0.815	S	S	*	*			trans	-84.2	107.9	170.3	175.6	0	0	0	0	107.7	R10	V8-R10 PolarHBondContact O-N 3.26Å
9	F	39.4	Very low	40.5	Very low	175 Å²	175	158 Å²	158	77%	0.768	82%	0.816	S	S	*	*			trans	-81.3	107.1	168.3	-99.5	-92.2	0	0	0	109.4	F11	F9-F11 PolarHBondContact O-N 3.47Å
10	R	34.9	Very low	40.7	Very low	237 Å²	237	156.4 Å²	156.4	89%	0.894	81%	0.814	S	S	*	*			trans	-79.4	107.6	161.5	-91.5	-177.2	169.6	173.1	-3	108.4	V8 G12	V8-R10 PolarHBondContact O-N 3.26Å; R10-G12 PolarHBondContact O-N 2.73Å
11	F	39.1	Very low	40.6	Very low	186 Å²	186	153.6 Å²	153.6	82%	0.816	81%	0.808	S	S	*	*			trans	-80.7	100.2	165.5	-110.9	-92.2	0	0	0	108.9	F9	F9-F11 PolarHBondContact O-N 3.47Å
12	G	34.7	Very low	40.3	Very low	73 Å²	73	148.5 Å²	148.5	75%	0.753	80%	0.795	S	S	*	*			trans	-79.8	113	165.1	0	0	0	0	0	109.4	R10 S14	R10-G12 PolarHBondContact O-N 2.73Å; G12-S14 PolarHBondContact O-N 3.5Å
13	I	42.9	Very low	41	Very low	135 Å²	135	147.6 Å²	147.6	69%	0.692	79%	0.79	S	S	*	*			trans	-84.9	104	167.7	-60.8	175	0	0	0	106.9	F15	I13-F15 HydrophobicContact CG2-CD2 3.62Å; I13-F15 HydrophobicContact CG2-CE2 3.7Å; I13-F15 PolarHBondContact O-N 3.2Å
14	S	35.9	Very low	42.2	Very low	106 Å²	106	151.5 Å²	151.5	74%	0.741	80%	0.797	S	S	*	*			trans	-76.9	101.2	168	-176.9	0	0	0	0	108.7	G12 R16	G12-S14 PolarHBondContact O-N 3.5Å; S14-R16 PolarHBondContact O-N 3.08Å
15	F	48.6	Very low	44	Very low	183 Å²	183	143.2 Å²	143.2	80%	0.803	78%	0.777	S	S	*	*			trans	-81.1	106.7	161.5	-94.7	-88.2	0	0	0	107.9	I13 S17	I13-F15 HydrophobicContact CG2-CD2 3.62Å; I13-F15 HydrophobicContact CG2-CE2 3.7Å; I13-F15 PolarHBondContact O-N 3.2Å; F15-S17 PolarHBondContact O-N 2.77Å
16	R	40.3	Very low	46.4	Very low	223 Å²	223	140.7 Å²	140.7	84%	0.842	75%	0.747	S	S	*	*			trans	-66.4	112.5	165.3	-84.2	-176.9	171.7	-172.5	-2.6	108.3	S14	S14-R16 PolarHBondContact O-N 3.08Å
17	S	42.3	Very low	49.1	Very low	91 Å²	91	136.9 Å²	136.9	64%	0.636	71%	0.712	S	S	*	*			trans	-73.1	122.4	170.4	58.1	0	0	0	0	109.9	F15 L19	F15-S17 PolarHBondContact O-N 2.77Å; S17-L19 PolarHBondContact O-N 3.46Å
18	F	44.8	Very low	51.8	Low	197 Å²	197	129.6 Å²	129.6	86%	0.864	67%	0.673	S	S	*	*			trans	-91	87.6	156.1	-83.2	-85.2	0	0	0	107	T20	F18-T20 PolarHBondContact O-N 3.24Å
19	L	39.9	Very low	54.5	Low	160 Å²	160	123.3 Å²	123.3	84%	0.838	64%	0.635	S	S	*	*			trans	-80.3	92.1	169.6	-80.2	161.9	0	0	0	108.7	S17	S17-L19 PolarHBondContact O-N 3.46Å
20	T	43.8	Very low	57.4	Low	125 Å²	125	115 Å²	115	77%	0.767	60%	0.599	S	S	*	*			trans	-92.9	110.5	164.1	53.3	0	0	0	0	109.4	F18	F18-T20 PolarHBondContact O-N 3.24Å
21	S	39.4	Very low	60.4	Low	98 Å²	98	103.7 Å²	103.7	69%	0.685	56%	0.556	S	S	*	*	S	Bend	trans	48.2	93.7	152	-177.2	0	0	0	0	118.3	K23	S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 3.41Å
22	S	34.5	Very low	63.3	Low	122 Å²	122	95.2 Å²	95.2	85%	0.853	52%	0.521	S	S	*	.			trans	19.9	42.5	149.1	78.5	0	0	0	0	120.8	H24	S22-H24 PolarHBondContact O-N 3.29Å
23	K	56.2	Low	66.3	Low	177 Å²	177	91.8 Å²	91.8	77%	0.77	49%	0.485	S	S	*	.			trans	-76.8	120.5	161.5	-77.5	-176.1	175.9	-178	0	107.2	S21 S25	S21-K23 VanDerWaalsContact C-N 3.28Å; S21-K23 PolarHBondContact O-N 3.41Å; K23-S25 PolarHBondContact O-N 3.33Å; K23-S25 VanDerWaalsContact O-N 3.08Å
24	H	61.7	Low	68.9	Low	187 Å²	187	86 Å²	86	87%	0.866	46%	0.457	S	S	*	.			trans	-43.2	118.9	175.2	-83.6	-76.5	0	0	0	110.1	S22	S22-H24 PolarHBondContact O-N 3.29Å
25	S	76.6	Confident	71.8	Confident	74 Å²	74	82.6 Å²	82.6	52%	0.517	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-57.9	140.4	174.8	-59.7	0	0	0	0	109.5	K23 S52	K23-S25 PolarHBondContact O-N 3.33Å; K23-S25 VanDerWaalsContact O-N 3.08Å; S25-S52 WeakPolarHBondContact CB-OG 3.2Å; S25-S52 PolarHBondContact O-OG 2.6Å
26	P	94.5	Very high	74.1	Confident	26 Å²	26	76.3 Å²	76.3	17%	0.169	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-74.6	140.6	-164.4	27.2	-35.3	0	0	0	114	L50 S52 N95 L264	P26-L50 WeakPolarHBondContact CD-O 3.09Å; P26-L50 WeakPolarHBondContact CG-O 3.49Å; P26-S52 PolarHBondContact O-N 3.18Å; P26-S52 PolarHBondContact O-OG 2.73Å; P26-N95 VanDerWaalsContact CA-OD1 3.24Å; P26-N95 WeakPolarHBondContact CA-OD1 3.49Å; P26-N95 HydrophobicContact CB-CB 4.09Å; P26-L264 HydrophobicContact CB-CD2 3.68Å; P26-L264 HydrophobicContact CG-CD2 3.6Å
27	K	98.2	Very high	76.9	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.065	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	126.5	168.2	-179.5	-178.3	-172.6	-169.2	0	109.9	Q53 E89 C90 T92 A94 N95 V96	K27-Q53 CarbonylContact C-O 3.51Å; K27-Q53 WeakPolarHBondContact CA-O 2.95Å; K27-Q53 HydrophobicContact CB-CB 4.1Å; K27-Q53 HydrophobicContact CD-CG 4.35Å; K27-Q53 HydrophobicContact CG-CB 3.98Å; K27-Q53 HydrophobicContact CG-CG 3.97Å; K27-E89 PolarHBondContact NZ-O 3.19Å; K27-C90 WeakPolarHBondContact CE-O 3.24Å; K27-C90 PolarHBondContact NZ-O 3Å; K27-T92 PolarHBondContact NZ-O 3.32Å; K27-A94 HydrophobicContact CD-CB 4.46Å; K27-N95 PolarHBondContact N-OD1 3.05Å; K27-N95 WeakPolarHBondContact O-CB 3.49Å; K27-N95 PolarHBondContact O-N 3.31Å; K27-V96 PolarHBondContact O-N 3.46Å
28	V	98.8	Very high	79.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.3	173.1	-178.4	0	0	0	0	109.3	L45 I51 Q53 L54 A55 V96 I98 L264	V28-L45 HydrophobicContact CG1-CD1 4.23Å; V28-I51 HydrophobicContact CB-CD1 4.25Å; V28-I51 HydrophobicContact CB-CG2 4.43Å; V28-I51 HydrophobicContact CG2-CD1 3.72Å; V28-I51 HydrophobicContact CG2-CG1 3.85Å; V28-I51 HydrophobicContact CG2-CG2 4.18Å; V28-Q53 PolarHBondContact N-O 2.95Å; V28-L54 HydrophobicContact CB-CD1 4.36Å; V28-L54 HydrophobicContact CG1-CD1 4.44Å; V28-L54 CarbonylContact O-C 3.53Å; V28-L54 WeakPolarHBondContact O-CA 3.16Å; V28-A55 PolarHBondContact O-N 3.33Å; V28-V96 CarbonylContact C-O 3.58Å; V28-V96 WeakPolarHBondContact CA-O 3.11Å; V28-V96 HydrophobicContact CG1-CB 4.39Å; V28-V96 HydrophobicContact CG2-CB 4.26Å; V28-I98 HydrophobicContact CG1-CD1 3.98Å; V28-I98 HydrophobicContact CG1-CG1 4.38Å; V28-L264 HydrophobicContact CG2-CD1 4.17Å; V28-L264 HydrophobicContact CG2-CD2 4.15Å
29	A	98.9	Very high	82.1	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136	173.7	0	0	0	0	0	110.9	A55 L91 A94 V96 V97 I98	A29-A55 CarbonylContact C-O 3.5Å; A29-A55 VanDerWaalsContact CA-O 3.26Å; A29-A55 WeakPolarHBondContact CA-O 3.35Å; A29-A55 HydrophobicContact CB-CB 4.35Å; A29-L91 HydrophobicContact CB-CD2 4.47Å; A29-A94 HydrophobicContact CB-CB 4.15Å; A29-V96 PolarHBondContact N-O 3.1Å; A29-V97 HydrophobicContact CB-CG2 4.27Å; A29-V97 CarbonylContact O-C 3.5Å; A29-V97 WeakPolarHBondContact O-CA 3.5Å; A29-I98 PolarHBondContact O-N 3.28Å
30	V	98.9	Very high	84.9	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	115.1	173.9	-178.6	0	0	0	0	108.9	A33 L41 L45 L54 A55 L56 Y57 I98 P100	V30-A33 HydrophobicContact CB-CB 4.25Å; V30-A33 HydrophobicContact CG1-CB 4Å; V30-L41 HydrophobicContact CG1-CD2 3.89Å; V30-L41 HydrophobicContact CG2-CD2 4.33Å; V30-L45 HydrophobicContact CG2-CD1 3.6Å; V30-L54 HydrophobicContact CG2-CD1 4.06Å; V30-A55 PolarHBondContact N-O 3.29Å; V30-L56 HydrophobicContact CB-CD2 4.03Å; V30-L56 HydrophobicContact CG2-CD2 4.22Å; V30-Y57 PolarHBondContact O-N 3.35Å; V30-I98 WeakPolarHBondContact CA-O 3.41Å; V30-P100 HydrophobicContact CG1-CG 3.95Å
31	L	98.9	Very high	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	112.8	179.7	-46.1	-174.2	0	0	0	109.9	Y57 L87 L91 V97 I98 I99 P100 A101 L125	L31-Y57 HydrophobicContact CB-CD1 4.13Å; L31-Y57 HydrophobicContact CD2-CD1 4.04Å; L31-Y57 HydrophobicContact CD2-CG 4.1Å; L31-L87 HydrophobicContact CD1-CD1 4.5Å; L31-L87 HydrophobicContact CD2-CD1 3.94Å; L31-L91 HydrophobicContact CD1-CD2 4.12Å; L31-L91 HydrophobicContact CD2-CD2 3.98Å; L31-V97 HydrophobicContact CD1-CG1 3.69Å; L31-V97 HydrophobicContact CD2-CG1 4.44Å; L31-V97 HydrophobicContact CG-CG1 3.78Å; L31-I98 PolarHBondContact N-O 3.17Å; L31-I99 HydrophobicContact CB-CG1 4.38Å; L31-I99 HydrophobicContact CB-CG2 4.43Å; L31-I99 HydrophobicContact CD1-CD1 3.98Å; L31-I99 HydrophobicContact CD1-CG1 3.99Å; L31-I99 HydrophobicContact CG-CG1 4.32Å; L31-P100 WeakPolarHBondContact O-CD 3.2Å; L31-A101 WeakPolarHBondContact O-CB 3.36Å; L31-A101 PolarHBondContact O-N 3.35Å; L31-L125 HydrophobicContact CB-CD1 3.98Å; L31-L125 HydrophobicContact CB-CD2 4.47Å; L31-L125 HydrophobicContact CD1-CB 3.95Å; L31-L125 HydrophobicContact CD1-CD1 4.28Å; L31-L125 HydrophobicContact CD1-CD2 4.13Å; L31-L125 HydrophobicContact CD1-CG 4.34Å
32	G	98.6	Very high	90.4	Very high	8 Å²	8	40.9 Å²	40.9	8%	0.082	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.3	32.7	-166.3	0	0	0	0	0	112.5	S34 G35 G38 Y57 D58	G32-S34 PolarHBondContact O-N 2.97Å; G32-G35 PolarHBondContact O-N 3.36Å; G32-G38 WeakPolarHBondContact O-CA 3.38Å; G32-Y57 PolarHBondContact N-O 2.84Å; G32-D58 VanDerWaalsContact CA-OD2 3.22Å; G32-D58 WeakPolarHBondContact CA-OD2 3.39Å
33	A	98.7	Very high	93.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.3	-173.2	0	0	0	0	0	114.1	V30 G38 Q39 L56 Y57 D58 V62	V30-A33 HydrophobicContact CB-CB 4.25Å; V30-A33 HydrophobicContact CG1-CB 4Å; A33-G38 CarbonylContact O-C 3.53Å; A33-Q39 WeakPolarHBondContact O-CA 3.12Å; A33-Q39 WeakPolarHBondContact O-CG 3.47Å; A33-Q39 PolarHBondContact O-N 2.96Å; A33-L56 HydrophobicContact CB-CB 3.75Å; A33-L56 HydrophobicContact CB-CD2 3.97Å; A33-L56 HydrophobicContact CB-CG 4.32Å; A33-Y57 PolarHBondContact N-O 3.28Å; A33-D58 PolarHBondContact N-OD2 3.13Å; A33-V62 HydrophobicContact CB-CG2 4.29Å
34	S	98.4	Very high	95.5	Very high	15 Å²	15	32.6 Å²	32.6	11%	0.105	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-11.5	179.4	-57.1	0	0	0	0	113.3	G32 Q39 D58 A60 V62	G32-S34 PolarHBondContact O-N 2.97Å; S34-Q39 PolarHBondContact O-NE2 3.49Å; S34-D58 WeakPolarHBondContact CA-OD2 3.47Å; S34-D58 VanDerWaalsContact CB-OD2 3.29Å; S34-D58 WeakPolarHBondContact CB-OD2 3.22Å; S34-D58 PolarHBondContact N-OD2 2.77Å; S34-D58 WeakPolarHBondContact OG-CB 3.21Å; S34-A60 VanDerWaalsContact CB-O 3.26Å; S34-A60 WeakPolarHBondContact CB-O 3.36Å; S34-A60 PolarHBondContact OG-O 3.4Å; S34-V62 WeakPolarHBondContact OG-CA 3.26Å; S34-V62 PolarHBondContact OG-N 2.94Å; S34-V62 VanDerWaalsContact OG-N 3.17Å
35	G	96.7	Very high	97.2	Very high	33 Å²	33	23.7 Å²	23.7	34%	0.34	15%	0.154	S	C	.	.	S	Bend	trans	-71.9	172.1	-178.5	0	0	0	0	0	114.3	G32 I37 G38 Q39	G32-G35 PolarHBondContact O-N 3.36Å; G35-I37 VanDerWaalsContact C-N 3.25Å; G35-I37 PolarHBondContact O-N 2.89Å; G35-G38 PolarHBondContact O-N 3.14Å; G35-Q39 PolarHBondContact O-N 2.76Å
36	G	96.5	Very high	98.3	Very high	52 Å²	52	20.5 Å²	20.5	54%	0.536	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-28.7	-177.3	0	0	0	0	0	114.7	P40 T249	G36-P40 VanDerWaalsContact O-CD 3.32Å; G36-P40 WeakPolarHBondContact O-CD 3.25Å; G36-P40 VanDerWaalsContact O-CG 3.26Å; G36-P40 WeakPolarHBondContact O-CG 3.24Å; G36-T249 VanDerWaalsContact O-CB 3.29Å; G36-T249 WeakPolarHBondContact O-CB 3.44Å
37	I	98.1	Very high	98.4	Very high	29 Å²	29	24.5 Å²	24.5	15%	0.149	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-42	169.4	-62.8	163.9	0	0	0	110.2	G35 Q39 P40 L41 P100 I141 T249 M252	G35-I37 VanDerWaalsContact C-N 3.25Å; G35-I37 PolarHBondContact O-N 2.89Å; I37-Q39 PolarHBondContact O-N 3.42Å; I37-P40 WeakPolarHBondContact O-CD 3.39Å; I37-P40 WeakPolarHBondContact O-CG 3.35Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 PolarHBondContact O-N 3.32Å; I37-P100 HydrophobicContact CB-CB 4.02Å; I37-P100 HydrophobicContact CG2-CB 3.78Å; I37-I141 HydrophobicContact CD1-CG2 4.17Å; I37-T249 HydrophobicContact CG1-CG2 4.39Å; I37-M252 HydrophobicContact CD1-CB 4.23Å; I37-M252 HydrophobicContact CD1-CG 3.8Å; I37-M252 HydrophobicContact CG1-CB 4.18Å; I37-M252 HydrophobicContact CG1-CG 4.21Å; I37-M252 HydrophobicContact CG2-CB 4.44Å; I37-M252 HydrophobicContact CG2-CG 4.16Å
38	G	98.6	Very high	98.3	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.01	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-45.3	-172.7	0	0	0	0	0	114.3	G32 A33 G35 L41 S42	G32-G38 WeakPolarHBondContact O-CA 3.38Å; A33-G38 CarbonylContact O-C 3.53Å; G35-G38 PolarHBondContact O-N 3.14Å; G38-L41 PolarHBondContact O-N 2.65Å; G38-S42 VanDerWaalsContact O-CB 3.27Å; G38-S42 WeakPolarHBondContact O-CB 3.49Å; G38-S42 PolarHBondContact O-N 2.7Å; G38-S42 PolarHBondContact O-OG 3.17Å
39	Q	98.8	Very high	98.2	Very high	95 Å²	95	29.1 Å²	29.1	44%	0.444	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-56.9	-178.7	-66.3	-172.8	32.3	0	0	112.6	A33 S34 G35 I37 L41 S42 L43 V65	A33-Q39 WeakPolarHBondContact O-CA 3.12Å; A33-Q39 WeakPolarHBondContact O-CG 3.47Å; A33-Q39 PolarHBondContact O-N 2.96Å; S34-Q39 PolarHBondContact O-NE2 3.49Å; G35-Q39 PolarHBondContact O-N 2.76Å; I37-Q39 PolarHBondContact O-N 3.42Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.86Å; Q39-S42 PolarHBondContact O-N 2.79Å; Q39-L43 PolarHBondContact O-N 3.33Å; Q39-V65 HydrophobicContact CG-CG1 4.21Å; Q39-V65 HydrophobicContact CG-CG2 4.1Å
40	P	98.8	Very high	98.1	Very high	25 Å²	25	31.6 Å²	31.6	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-30.5	177.8	23.7	-33	0	0	0	112.8	G36 I37 L44 L250 A253	G36-P40 VanDerWaalsContact O-CD 3.32Å; G36-P40 WeakPolarHBondContact O-CD 3.25Å; G36-P40 VanDerWaalsContact O-CG 3.26Å; G36-P40 WeakPolarHBondContact O-CG 3.24Å; I37-P40 WeakPolarHBondContact O-CD 3.39Å; I37-P40 WeakPolarHBondContact O-CG 3.35Å; P40-L44 VanDerWaalsContact O-CG 3.29Å; P40-L44 WeakPolarHBondContact O-CG 3.49Å; P40-L44 PolarHBondContact O-N 3.32Å; P40-L44 VanDerWaalsContact O-N 3.09Å; P40-L250 HydrophobicContact CB-CD2 4.02Å; P40-L250 HydrophobicContact CG-CD2 4.05Å; P40-A253 HydrophobicContact CB-CB 3.79Å; P40-A253 HydrophobicContact CG-CB 3.8Å
41	L	98.9	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.8	-48.1	173.3	179.6	79.4	0	0	0	110.5	V30 I37 G38 Q39 L43 L44 L45 I98 P100 A253 V257	V30-L41 HydrophobicContact CG1-CD2 3.89Å; V30-L41 HydrophobicContact CG2-CD2 4.33Å; I37-L41 WeakPolarHBondContact O-CB 3.49Å; I37-L41 PolarHBondContact O-N 3.32Å; G38-L41 PolarHBondContact O-N 2.65Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.86Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.46Å; L41-L44 PolarHBondContact O-N 3.27Å; L41-L45 HydrophobicContact CD2-CD1 4.47Å; L41-L45 HydrophobicContact CG-CD1 3.96Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 3.22Å; L41-I98 HydrophobicContact CD2-CB 4.36Å; L41-I98 HydrophobicContact CD2-CD1 4.49Å; L41-I98 HydrophobicContact CD2-CG2 3.84Å; L41-P100 HydrophobicContact CD2-CG 4.12Å; L41-A253 HydrophobicContact CB-CB 3.99Å; L41-A253 WeakPolarHBondContact CD1-O 3.42Å; L41-V257 HydrophobicContact CD1-CG2 3.54Å; L41-V257 HydrophobicContact CG-CG2 4.3Å
42	S	98.9	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.4	-38.9	179.9	-56.9	0	0	0	0	111.9	G38 Q39 L45 K46 L54 L56	G38-S42 VanDerWaalsContact O-CB 3.27Å; G38-S42 WeakPolarHBondContact O-CB 3.49Å; G38-S42 PolarHBondContact O-N 2.7Å; G38-S42 PolarHBondContact O-OG 3.17Å; Q39-S42 PolarHBondContact O-N 2.79Å; S42-L45 PolarHBondContact O-N 3.15Å; S42-K46 WeakPolarHBondContact O-CB 3.41Å; S42-K46 PolarHBondContact O-N 3.35Å; S42-L54 WeakPolarHBondContact O-CD2 3.29Å; S42-L56 WeakPolarHBondContact OG-CD2 3.35Å
43	L	98.8	Very high	97.9	Very high	68 Å²	68	35.8 Å²	35.8	36%	0.356	21%	0.213	S	C	.	.	H	α-helix	trans	-57	-52.2	171.8	172.1	60.6	0	0	0	112	Q39 L41 L45 K46 Q47 L69 I72	Q39-L43 PolarHBondContact O-N 3.33Å; L41-L43 VanDerWaalsContact C-N 3.35Å; L41-L43 PolarHBondContact O-N 3.46Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.18Å; L43-K46 PolarHBondContact O-N 2.82Å; L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.02Å; L43-L69 HydrophobicContact CB-CD2 3.95Å; L43-L69 HydrophobicContact CD1-CD2 4.03Å; L43-I72 HydrophobicContact CD1-CD1 3.47Å; L43-I72 VanDerWaalsContact CD1-CD1 3.47Å
44	L	98.7	Very high	97.9	Very high	57 Å²	57	35.8 Å²	35.8	30%	0.298	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-35	-178.7	-68.9	174.1	0	0	0	112	P40 L41 Q47 A253 V257	P40-L44 VanDerWaalsContact O-CG 3.29Å; P40-L44 WeakPolarHBondContact O-CG 3.49Å; P40-L44 PolarHBondContact O-N 3.32Å; P40-L44 VanDerWaalsContact O-N 3.09Å; L41-L44 PolarHBondContact O-N 3.27Å; L44-Q47 PolarHBondContact O-N 2.7Å; L44-A253 HydrophobicContact CD1-CB 4.45Å; L44-V257 HydrophobicContact CB-CB 4.16Å; L44-V257 HydrophobicContact CB-CG1 4.16Å; L44-V257 HydrophobicContact CB-CG2 3.43Å; L44-V257 VanDerWaalsContact CB-CG2 3.43Å; L44-V257 HydrophobicContact CD1-CG2 4.2Å; L44-V257 HydrophobicContact CG-CG2 4.48Å
45	L	98.6	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.7	-42.9	173.7	-70.7	166.5	0	0	0	111.9	V28 V30 L41 S42 L43 Q47 S48 I51 L54 I98 V257 A260	V28-L45 HydrophobicContact CG1-CD1 4.23Å; V30-L45 HydrophobicContact CG2-CD1 3.6Å; L41-L45 HydrophobicContact CD2-CD1 4.47Å; L41-L45 HydrophobicContact CG-CD1 3.96Å; L41-L45 VanDerWaalsContact O-CG 3.29Å; L41-L45 WeakPolarHBondContact O-CG 3.37Å; L41-L45 PolarHBondContact O-N 3.22Å; S42-L45 PolarHBondContact O-N 3.15Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.18Å; L45-Q47 PolarHBondContact O-N 3.26Å; L45-Q47 VanDerWaalsContact O-N 3.12Å; L45-S48 VanDerWaalsContact O-CB 3.3Å; L45-S48 WeakPolarHBondContact O-CB 3.17Å; L45-S48 PolarHBondContact O-N 3.07Å; L45-I51 HydrophobicContact CB-CD1 3.91Å; L45-I51 HydrophobicContact CD2-CD1 3.69Å; L45-I51 HydrophobicContact CG-CD1 4.38Å; L45-L54 HydrophobicContact CB-CD1 4.05Å; L45-L54 HydrophobicContact CB-CD2 4.3Å; L45-L54 HydrophobicContact CD1-CD1 4.11Å; L45-I98 HydrophobicContact CD1-CD1 3.76Å; L45-I98 HydrophobicContact CD2-CD1 4.27Å; L45-V257 HydrophobicContact CD2-CG1 4.36Å; L45-V257 HydrophobicContact CD2-CG2 4.06Å; L45-V257 HydrophobicContact CG-CG2 3.81Å; L45-A260 HydrophobicContact CD2-CB 4.11Å
46	K	98.5	Very high	98	Very high	7 Å²	7	33.5 Å²	33.5	3%	0.03	19%	0.192	C	C	.	.	H	α-helix	trans	-57.3	-26.8	176.6	174	56.3	174.6	150.9	0	112.2	S42 L43 S48 L54 L69 I72 T74 A76 V78	S42-K46 WeakPolarHBondContact O-CB 3.41Å; S42-K46 PolarHBondContact O-N 3.35Å; L43-K46 PolarHBondContact O-N 2.82Å; K46-S48 VanDerWaalsContact C-N 3.35Å; K46-L54 HydrophobicContact CB-CD2 3.97Å; K46-L69 HydrophobicContact CB-CD2 4.48Å; K46-L69 WeakPolarHBondContact CE-O 3.4Å; K46-I72 WeakPolarHBondContact CE-O 3.3Å; K46-I72 HydrophobicContact CG-CB 4.14Å; K46-I72 HydrophobicContact CG-CD1 4.11Å; K46-I72 HydrophobicContact CG-CG2 4.3Å; K46-I72 PolarHBondContact NZ-O 3.13Å; K46-T74 VanDerWaalsContact CD-OG1 3.24Å; K46-T74 WeakPolarHBondContact CD-OG1 3.35Å; K46-T74 WeakPolarHBondContact CE-OG1 3.44Å; K46-T74 PolarHBondContact NZ-O 3.38Å; K46-T74 PolarHBondContact NZ-OG1 2.86Å; K46-T74 WeakPolarHBondContact O-CB 3.49Å; K46-T74 PolarHBondContact O-OG1 2.79Å; K46-A76 HydrophobicContact CD-CB 4.13Å; K46-A76 PolarHBondContact NZ-O 3.29Å; K46-V78 HydrophobicContact CD-CG2 3.69Å
47	Q	97.9	Very high	98.1	Very high	109 Å²	109	31.3 Å²	31.3	51%	0.509	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-13	176.1	-67.1	177.2	-21.1	0	0	114.3	L43 L44 L45	L43-Q47 WeakPolarHBondContact O-CG 3.42Å; L43-Q47 PolarHBondContact O-N 3.02Å; L44-Q47 PolarHBondContact O-N 2.7Å; L45-Q47 PolarHBondContact O-N 3.26Å; L45-Q47 VanDerWaalsContact O-N 3.12Å
48	S	96.4	Very high	98.2	Very high	12 Å²	12	31 Å²	31	8%	0.084	17%	0.166	C	C	.	.			trans	-76.4	126.1	-176.6	-177.8	0	0	0	0	112.1	L45 K46 L50 I51	L45-S48 VanDerWaalsContact O-CB 3.3Å; L45-S48 WeakPolarHBondContact O-CB 3.17Å; L45-S48 PolarHBondContact O-N 3.07Å; K46-S48 VanDerWaalsContact C-N 3.35Å; S48-L50 PolarHBondContact O-N 2.9Å; S48-L50 PolarHBondContact OG-N 2.82Å; S48-I51 PolarHBondContact O-N 2.78Å
49	P	95.8	Very high	98.1	Very high	100 Å²	100	37 Å²	37	65%	0.649	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.6	173.5	34.2	-37.3	0	0	0	112.9	Q75	P49-Q75 PolarHBondContact O-NE2 2.73Å
50	L	96.1	Very high	98	Very high	52 Å²	52	34 Å²	34	27%	0.272	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-17.7	174.6	-59.5	177.2	0	0	0	112	P26 S48 V261 L264 E265	P26-L50 WeakPolarHBondContact CD-O 3.09Å; P26-L50 WeakPolarHBondContact CG-O 3.49Å; S48-L50 PolarHBondContact O-N 2.9Å; S48-L50 PolarHBondContact OG-N 2.82Å; L50-V261 HydrophobicContact CD1-CG1 4.06Å; L50-L264 HydrophobicContact CB-CB 4.27Å; L50-L264 HydrophobicContact CB-CD1 4.26Å; L50-L264 HydrophobicContact CD1-CB 3.98Å; L50-E265 HydrophobicContact CD1-CG 3.61Å
51	I	97.4	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.			trans	-101.9	134.4	-172.5	-58.7	176.4	0	0	0	109.5	V28 L45 S48 Q53 L54 Q75 A76 L264	V28-I51 HydrophobicContact CB-CD1 4.25Å; V28-I51 HydrophobicContact CB-CG2 4.43Å; V28-I51 HydrophobicContact CG2-CD1 3.72Å; V28-I51 HydrophobicContact CG2-CG1 3.85Å; V28-I51 HydrophobicContact CG2-CG2 4.18Å; L45-I51 HydrophobicContact CB-CD1 3.91Å; L45-I51 HydrophobicContact CD2-CD1 3.69Å; L45-I51 HydrophobicContact CG-CD1 4.38Å; S48-I51 PolarHBondContact O-N 2.78Å; I51-Q53 WeakPolarHBondContact CG2-O 3.32Å; I51-L54 HydrophobicContact CG2-CB 4.49Å; I51-Q75 PolarHBondContact O-NE2 2.85Å; I51-A76 HydrophobicContact CB-CB 4.35Å; I51-A76 HydrophobicContact CG2-CB 4.07Å; I51-A76 WeakPolarHBondContact O-CB 3.37Å; I51-L264 HydrophobicContact CD1-CD1 3.96Å; I51-L264 HydrophobicContact CG1-CD1 3.64Å
52	S	96.9	Very high	98	Very high	34 Å²	34	40.2 Å²	40.2	24%	0.238	22%	0.215	C	C	.	.	S	Bend	trans	-104.4	-30.6	171.8	51.3	0	0	0	0	113.3	S25 P26 A76 H77	S25-S52 WeakPolarHBondContact CB-OG 3.2Å; S25-S52 PolarHBondContact O-OG 2.6Å; P26-S52 PolarHBondContact O-N 3.18Å; P26-S52 PolarHBondContact O-OG 2.73Å; S52-A76 CarbonylContact O-C 3.57Å; S52-A76 WeakPolarHBondContact O-CA 3.43Å; S52-H77 PolarHBondContact O-N 3.44Å
53	Q	98.3	Very high	98	Very high	62 Å²	62	45.5 Å²	45.5	29%	0.29	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	126.4	178.4	-173.8	178.8	3.1	0	0	109.8	K27 V28 I51 H77	K27-Q53 CarbonylContact C-O 3.51Å; K27-Q53 WeakPolarHBondContact CA-O 2.95Å; K27-Q53 HydrophobicContact CB-CB 4.1Å; K27-Q53 HydrophobicContact CD-CG 4.35Å; K27-Q53 HydrophobicContact CG-CB 3.98Å; K27-Q53 HydrophobicContact CG-CG 3.97Å; V28-Q53 PolarHBondContact N-O 2.95Å; I51-Q53 WeakPolarHBondContact CG2-O 3.32Å; Q53-H77 CarbonylContact C-O 3.56Å; Q53-H77 WeakPolarHBondContact CA-O 3.4Å
54	L	98.7	Very high	98	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.3	174.2	-178.6	62.8	0	0	0	108.6	V28 V30 S42 L45 K46 I51 L56 H77 V78 T79	V28-L54 HydrophobicContact CB-CD1 4.36Å; V28-L54 HydrophobicContact CG1-CD1 4.44Å; V28-L54 CarbonylContact O-C 3.53Å; V28-L54 WeakPolarHBondContact O-CA 3.16Å; V30-L54 HydrophobicContact CG2-CD1 4.06Å; S42-L54 WeakPolarHBondContact O-CD2 3.29Å; L45-L54 HydrophobicContact CB-CD1 4.05Å; L45-L54 HydrophobicContact CB-CD2 4.3Å; L45-L54 HydrophobicContact CD1-CD1 4.11Å; K46-L54 HydrophobicContact CB-CD2 3.97Å; I51-L54 HydrophobicContact CG2-CB 4.49Å; L54-L56 HydrophobicContact CD1-CD2 4.03Å; L54-L56 HydrophobicContact CD2-CD2 4.08Å; L54-L56 HydrophobicContact CG-CD2 3.71Å; L54-L56 HydrophobicContact CG-CG 4.36Å; L54-H77 PolarHBondContact N-O 3.48Å; L54-V78 HydrophobicContact CB-CG2 4.46Å; L54-V78 WeakPolarHBondContact O-CA 3.45Å; L54-T79 PolarHBondContact O-N 3.45Å
55	A	98.8	Very high	98	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.1	177.8	0	0	0	0	0	110	V28 A29 V30	V28-A55 PolarHBondContact O-N 3.33Å; A29-A55 CarbonylContact C-O 3.5Å; A29-A55 VanDerWaalsContact CA-O 3.26Å; A29-A55 WeakPolarHBondContact CA-O 3.35Å; A29-A55 HydrophobicContact CB-CB 4.35Å; V30-A55 PolarHBondContact N-O 3.29Å
56	L	98.9	Very high	98	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.8	-177.1	-56.4	-176.1	0	0	0	109.1	V30 A33 S42 L54 V62 V65 A66 L69 V78 T79 A80 H81	V30-L56 HydrophobicContact CB-CD2 4.03Å; V30-L56 HydrophobicContact CG2-CD2 4.22Å; A33-L56 HydrophobicContact CB-CB 3.75Å; A33-L56 HydrophobicContact CB-CD2 3.97Å; A33-L56 HydrophobicContact CB-CG 4.32Å; S42-L56 WeakPolarHBondContact OG-CD2 3.35Å; L54-L56 HydrophobicContact CD1-CD2 4.03Å; L54-L56 HydrophobicContact CD2-CD2 4.08Å; L54-L56 HydrophobicContact CG-CD2 3.71Å; L54-L56 HydrophobicContact CG-CG 4.36Å; L56-V62 HydrophobicContact CB-CG2 3.62Å; L56-V62 WeakPolarHBondContact O-CG2 3.35Å; L56-V65 HydrophobicContact CD1-CG1 4.18Å; L56-A66 HydrophobicContact CD1-CB 4.23Å; L56-L69 HydrophobicContact CD1-CD1 3.62Å; L56-V78 HydrophobicContact CD1-CG1 3.69Å; L56-V78 HydrophobicContact CG-CG1 4.1Å; L56-T79 PolarHBondContact N-O 3.12Å; L56-A80 CarbonylContact O-C 3.54Å; L56-H81 PolarHBondContact O-N 3.49Å
57	Y	98.9	Very high	98	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.024	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.1	175.2	171.4	-96	0	0	0	111.2	V30 L31 G32 A33 H81 G83 L87 C90 L125	V30-Y57 PolarHBondContact O-N 3.35Å; L31-Y57 HydrophobicContact CB-CD1 4.13Å; L31-Y57 HydrophobicContact CD2-CD1 4.04Å; L31-Y57 HydrophobicContact CD2-CG 4.1Å; G32-Y57 PolarHBondContact N-O 2.84Å; A33-Y57 PolarHBondContact N-O 3.28Å; Y57-H81 WeakPolarHBondContact CA-O 3.42Å; Y57-H81 HydrophobicContact CD2-CB 4.18Å; Y57-H81 VanDerWaalsContact CD2-O 3.26Å; Y57-H81 WeakPolarHBondContact CD2-O 3.25Å; Y57-G83 WeakPolarHBondContact CE2-O 3.5Å; Y57-L87 HydrophobicContact CD1-CD1 3.81Å; Y57-L87 HydrophobicContact CD2-CB 4.05Å; Y57-L87 HydrophobicContact CD2-CD1 3.66Å; Y57-L87 HydrophobicContact CD2-CG 4.41Å; Y57-L87 HydrophobicContact CE1-CD1 3.91Å; Y57-L87 HydrophobicContact CE2-CB 3.58Å; Y57-L87 HydrophobicContact CE2-CD1 3.75Å; Y57-L87 HydrophobicContact CE2-CD2 4.49Å; Y57-L87 HydrophobicContact CE2-CG 4.1Å; Y57-L87 HydrophobicContact CG-CD1 3.68Å; Y57-C90 VanDerWaalsContact CB-SG 3.6Å; Y57-L125 HydrophobicContact CD1-CD2 4.26Å; Y57-L125 HydrophobicContact CE1-CD2 3.66Å
58	D	98.7	Very high	98	Very high	22 Å²	22	45.1 Å²	45.1	12%	0.118	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	165.5	165.5	-149.3	-67.2	0	0	0	110	G32 A33 S34 A60 V62 H81 L82 G83	G32-D58 VanDerWaalsContact CA-OD2 3.22Å; G32-D58 WeakPolarHBondContact CA-OD2 3.39Å; A33-D58 PolarHBondContact N-OD2 3.13Å; S34-D58 WeakPolarHBondContact CA-OD2 3.47Å; S34-D58 VanDerWaalsContact CB-OD2 3.29Å; S34-D58 WeakPolarHBondContact CB-OD2 3.22Å; S34-D58 PolarHBondContact N-OD2 2.77Å; S34-D58 WeakPolarHBondContact OG-CB 3.21Å; D58-A60 VanDerWaalsContact C-N 3.3Å; D58-A60 WeakPolarHBondContact CB-O 3.33Å; D58-A60 PolarHBondContact OD1-N 3.2Å; D58-V62 HydrophobicContact CB-CB 3.8Å; D58-V62 HydrophobicContact CB-CG1 4.46Å; D58-V62 HydrophobicContact CB-CG2 4.28Å; D58-H81 PolarHBondContact N-O 3.16Å; D58-L82 WeakPolarHBondContact O-CA 3.2Å; D58-G83 PolarHBondContact O-N 3.39Å
59	I	97.5	Very high	98.1	Very high	127 Å²	127	45 Å²	45	65%	0.651	26%	0.259	S	S	*	.	S	Bend	trans	-80.7	-15.1	172.7	61.4	168.1	0	0	0	112.2
60	A	97.5	Very high	98.3	Very high	34 Å²	34	43.1 Å²	43.1	28%	0.281	25%	0.248	S	C	.	.	S	Bend	trans	-147.6	154.6	179.7	0	0	0	0	0	112.4	S34 D58 V62	S34-A60 VanDerWaalsContact CB-O 3.26Å; S34-A60 WeakPolarHBondContact CB-O 3.36Å; S34-A60 PolarHBondContact OG-O 3.4Å; D58-A60 VanDerWaalsContact C-N 3.3Å; D58-A60 WeakPolarHBondContact CB-O 3.33Å; D58-A60 PolarHBondContact OD1-N 3.2Å; A60-V62 PolarHBondContact O-N 2.93Å
61	H	97.9	Very high	98.4	Very high	154 Å²	154	48.1 Å²	48.1	71%	0.713	27%	0.27	S	S	*	.	S	Bend	trans	61.6	-8	169.1	-48	-63.8	0	0	0	118.2	K63 G64 V65	H61-K63 VanDerWaalsContact C-N 3.27Å; H61-K63 PolarHBondContact O-N 2.96Å; H61-K63 VanDerWaalsContact O-N 3.15Å; H61-G64 PolarHBondContact O-N 3.28Å; H61-V65 PolarHBondContact O-N 2.89Å
62	V	98.6	Very high	98.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-62.2	-29.6	-169.5	69.2	0	0	0	0	114.3	A33 S34 L56 D58 A60 G64 V65 A66 A80 H81 L82	A33-V62 HydrophobicContact CB-CG2 4.29Å; S34-V62 WeakPolarHBondContact OG-CA 3.26Å; S34-V62 PolarHBondContact OG-N 2.94Å; S34-V62 VanDerWaalsContact OG-N 3.17Å; L56-V62 HydrophobicContact CB-CG2 3.62Å; L56-V62 WeakPolarHBondContact O-CG2 3.35Å; D58-V62 HydrophobicContact CB-CB 3.8Å; D58-V62 HydrophobicContact CB-CG1 4.46Å; D58-V62 HydrophobicContact CB-CG2 4.28Å; A60-V62 PolarHBondContact O-N 2.93Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.9Å; V62-V65 PolarHBondContact O-N 3.42Å; V62-A66 WeakPolarHBondContact O-CB 3.31Å; V62-A66 PolarHBondContact O-N 3.34Å; V62-A80 HydrophobicContact CG1-CB 4.45Å; V62-H81 WeakPolarHBondContact CG1-O 3.5Å; V62-L82 HydrophobicContact CG1-CB 3.89Å; V62-L82 HydrophobicContact CG1-CD1 3.96Å
63	K	98.5	Very high	98.5	Very high	111 Å²	111	58.4 Å²	58.4	48%	0.483	32%	0.315	S	S	.	.	H	α-helix	trans	-61.8	-38.5	175.4	-63.9	-172	177.7	-177.6	0	111.7	H61 A67 A80 L82 E86	H61-K63 VanDerWaalsContact C-N 3.27Å; H61-K63 PolarHBondContact O-N 2.96Å; H61-K63 VanDerWaalsContact O-N 3.15Å; K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 2.83Å; K63-A67 VanDerWaalsContact O-N 3.1Å; K63-A80 HydrophobicContact CB-CB 4.5Å; K63-A80 HydrophobicContact CG-CB 4.09Å; K63-L82 HydrophobicContact CD-CD2 4.23Å; K63-L82 HydrophobicContact CG-CB 4.45Å; K63-E86 IonicContact NZ-OE1 3.54Å; K63-E86 PolarHBondContact NZ-OE1 3.01Å
64	G	98.6	Very high	98.4	Very high	50 Å²	50	57.8 Å²	57.8	52%	0.515	32%	0.316	S	S	.	.	H	α-helix	trans	-70	-42.5	174.9	0	0	0	0	0	112.5	H61 V62 A66 A67 D68	H61-G64 PolarHBondContact O-N 3.28Å; V62-G64 VanDerWaalsContact C-N 3.3Å; V62-G64 PolarHBondContact O-N 2.9Å; G64-A66 VanDerWaalsContact C-N 3.34Å; G64-A66 PolarHBondContact O-N 3.42Å; G64-A67 PolarHBondContact O-N 3.42Å; G64-D68 PolarHBondContact O-N 3.27Å
65	V	98.7	Very high	98.3	Very high	14 Å²	14	63.6 Å²	63.6	9%	0.085	34%	0.343	C	S	.	.	H	α-helix	trans	-61.3	-43.5	177.2	179.2	0	0	0	0	111.3	Q39 L56 H61 V62 D68 L69	Q39-V65 HydrophobicContact CG-CG1 4.21Å; Q39-V65 HydrophobicContact CG-CG2 4.1Å; L56-V65 HydrophobicContact CD1-CG1 4.18Å; H61-V65 PolarHBondContact O-N 2.89Å; V62-V65 PolarHBondContact O-N 3.42Å; V65-D68 PolarHBondContact O-N 3.48Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.46Å
66	A	98.8	Very high	98.2	Very high	8 Å²	8	63.7 Å²	63.7	7%	0.066	34%	0.344	C	S	.	.	H	α-helix	trans	-66.5	-41	177.1	0	0	0	0	0	112.6	L56 V62 G64 L69 S70 V78 A80	L56-A66 HydrophobicContact CD1-CB 4.23Å; V62-A66 WeakPolarHBondContact O-CB 3.31Å; V62-A66 PolarHBondContact O-N 3.34Å; G64-A66 VanDerWaalsContact C-N 3.34Å; G64-A66 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.42Å; A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.35Å; A66-S70 PolarHBondContact O-N 2.83Å; A66-V78 HydrophobicContact CB-CG1 3.9Å; A66-A80 HydrophobicContact CB-CB 3.54Å
67	A	98.7	Very high	98.2	Very high	47 Å²	47	69.6 Å²	69.6	39%	0.388	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-47.4	175.9	0	0	0	0	0	111.1	K63 G64 S70	K63-A67 WeakPolarHBondContact O-CB 3.5Å; K63-A67 PolarHBondContact O-N 2.83Å; K63-A67 VanDerWaalsContact O-N 3.1Å; G64-A67 PolarHBondContact O-N 3.42Å; A67-S70 PolarHBondContact O-N 3.14Å; A67-S70 PolarHBondContact O-OG 2.84Å
68	D	98.7	Very high	98.2	Very high	114 Å²	114	70 Å²	70	61%	0.61	37%	0.374	S	S	*	.	H	α-helix	trans	-57.3	-54.3	176.5	-171.4	4.3	0	0	0	111.5	G64 V65 S70 H71	G64-D68 PolarHBondContact O-N 3.27Å; V65-D68 PolarHBondContact O-N 3.48Å; D68-S70 VanDerWaalsContact C-N 3.27Å; D68-S70 PolarHBondContact O-N 2.99Å; D68-H71 PolarHBondContact O-N 3.46Å
69	L	98.8	Very high	98.2	Very high	10 Å²	10	70.3 Å²	70.3	5%	0.052	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-28.8	179.9	-70.8	172.3	0	0	0	114	L43 K46 L56 V65 A66 H71 I72 V78	L43-L69 HydrophobicContact CB-CD2 3.95Å; L43-L69 HydrophobicContact CD1-CD2 4.03Å; K46-L69 HydrophobicContact CB-CD2 4.48Å; K46-L69 WeakPolarHBondContact CE-O 3.4Å; L56-L69 HydrophobicContact CD1-CD1 3.62Å; V65-L69 HydrophobicContact CG1-CD1 3.99Å; V65-L69 WeakPolarHBondContact O-CG 3.28Å; V65-L69 PolarHBondContact O-N 3.46Å; A66-L69 PolarHBondContact O-N 3.42Å; L69-H71 PolarHBondContact O-N 3.27Å; L69-I72 HydrophobicContact CD2-CD1 3.86Å; L69-I72 WeakPolarHBondContact O-CB 3.36Å; L69-I72 PolarHBondContact O-N 2.86Å; L69-V78 HydrophobicContact CB-CG1 4.4Å; L69-V78 HydrophobicContact CB-CG2 4.33Å
70	S	98.4	Very high	98.2	Very high	61 Å²	61	65.7 Å²	65.7	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-66.4	-21.2	-178.3	76.5	0	0	0	0	113.3	A66 A67 D68 I72	A66-S70 VanDerWaalsContact O-CB 3.25Å; A66-S70 WeakPolarHBondContact O-CB 3.35Å; A66-S70 PolarHBondContact O-N 2.83Å; A67-S70 PolarHBondContact O-N 3.14Å; A67-S70 PolarHBondContact O-OG 2.84Å; D68-S70 VanDerWaalsContact C-N 3.27Å; D68-S70 PolarHBondContact O-N 2.99Å; S70-I72 VanDerWaalsContact C-N 3.27Å; S70-I72 PolarHBondContact O-N 2.73Å
71	H	98.5	Very high	98.3	Very high	157 Å²	157	64.3 Å²	64.3	73%	0.727	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.5	178.3	-61.6	166.7	0	0	0	113.7	D68 L69	D68-H71 PolarHBondContact O-N 3.46Å; L69-H71 PolarHBondContact O-N 3.27Å
72	I	98.5	Very high	98.3	Very high	49 Å²	49	59.9 Å²	59.9	25%	0.251	33%	0.326	S	S	.	.	S	Bend	trans	-76	127.3	-179.7	-60.6	172.6	0	0	0	109.8	L43 K46 L69 S70 T74	L43-I72 HydrophobicContact CD1-CD1 3.47Å; L43-I72 VanDerWaalsContact CD1-CD1 3.47Å; K46-I72 WeakPolarHBondContact CE-O 3.3Å; K46-I72 HydrophobicContact CG-CB 4.14Å; K46-I72 HydrophobicContact CG-CD1 4.11Å; K46-I72 HydrophobicContact CG-CG2 4.3Å; K46-I72 PolarHBondContact NZ-O 3.13Å; L69-I72 HydrophobicContact CD2-CD1 3.86Å; L69-I72 WeakPolarHBondContact O-CB 3.36Å; L69-I72 PolarHBondContact O-N 2.86Å; S70-I72 VanDerWaalsContact C-N 3.27Å; S70-I72 PolarHBondContact O-N 2.73Å; I72-T74 HydrophobicContact CG2-CG2 3.86Å; I72-T74 PolarHBondContact O-N 2.93Å
73	E	98.1	Very high	98.3	Very high	200 Å²	200	60.4 Å²	60.4	94%	0.935	33%	0.332	S	S	*	.	S	Bend	trans	-70.1	54.6	-176.4	58.8	174.8	161.2	0	0	114.8
74	T	97.5	Very high	98.2	Very high	49 Å²	49	59.3 Å²	59.3	30%	0.301	34%	0.336	S	S	.	.	S	Bend	trans	-127	159.4	176.7	66.1	0	0	0	0	110.9	K46 I72 A76	K46-T74 VanDerWaalsContact CD-OG1 3.24Å; K46-T74 WeakPolarHBondContact CD-OG1 3.35Å; K46-T74 WeakPolarHBondContact CE-OG1 3.44Å; K46-T74 PolarHBondContact NZ-O 3.38Å; K46-T74 PolarHBondContact NZ-OG1 2.86Å; K46-T74 WeakPolarHBondContact O-CB 3.49Å; K46-T74 PolarHBondContact O-OG1 2.79Å; I72-T74 HydrophobicContact CG2-CG2 3.86Å; I72-T74 PolarHBondContact O-N 2.93Å; T74-A76 VanDerWaalsContact C-N 3.32Å; T74-A76 PolarHBondContact O-N 3.15Å
75	Q	95.7	Very high	98.1	Very high	123 Å²	123	60.7 Å²	60.7	58%	0.575	35%	0.35	S	S	*	.	S	Bend	trans	-66	-25.2	-171.9	71.4	-177.5	15.9	0	0	115.5	P49 I51 H77	P49-Q75 PolarHBondContact O-NE2 2.73Å; I51-Q75 PolarHBondContact O-NE2 2.85Å; Q75-H77 PolarHBondContact O-N 3.34Å
76	A	97.7	Very high	98.1	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.017	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-68.7	120.3	-171.3	0	0	0	0	0	110.9	K46 I51 S52 T74	K46-A76 HydrophobicContact CD-CB 4.13Å; K46-A76 PolarHBondContact NZ-O 3.29Å; I51-A76 HydrophobicContact CB-CB 4.35Å; I51-A76 HydrophobicContact CG2-CB 4.07Å; I51-A76 WeakPolarHBondContact O-CB 3.37Å; S52-A76 CarbonylContact O-C 3.57Å; S52-A76 WeakPolarHBondContact O-CA 3.43Å; T74-A76 VanDerWaalsContact C-N 3.32Å; T74-A76 PolarHBondContact O-N 3.15Å
77	H	98.1	Very high	98.1	Very high	123 Å²	123	62.8 Å²	62.8	57%	0.569	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	128.9	173.8	-176.6	65.9	0	0	0	110.2	S52 Q53 L54 Q75	S52-H77 PolarHBondContact O-N 3.44Å; Q53-H77 CarbonylContact C-O 3.56Å; Q53-H77 WeakPolarHBondContact CA-O 3.4Å; L54-H77 PolarHBondContact N-O 3.48Å; Q75-H77 PolarHBondContact O-N 3.34Å
78	V	98.7	Very high	98.1	Very high	15 Å²	15	62.3 Å²	62.3	9%	0.091	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	128.2	-177.3	-173.5	0	0	0	0	109.8	K46 L54 L56 A66 L69	K46-V78 HydrophobicContact CD-CG2 3.69Å; L54-V78 HydrophobicContact CB-CG2 4.46Å; L54-V78 WeakPolarHBondContact O-CA 3.45Å; L56-V78 HydrophobicContact CD1-CG1 3.69Å; L56-V78 HydrophobicContact CG-CG1 4.1Å; A66-V78 HydrophobicContact CB-CG1 3.9Å; L69-V78 HydrophobicContact CB-CG1 4.4Å; L69-V78 HydrophobicContact CB-CG2 4.33Å
79	T	98.6	Very high	98	Very high	29 Å²	29	63.1 Å²	63.1	18%	0.178	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.5	174.5	58.8	0	0	0	0	110.6	L54 L56 H81	L54-T79 PolarHBondContact O-N 3.45Å; L56-T79 PolarHBondContact N-O 3.12Å; T79-H81 PolarHBondContact OG1-NE2 3.27Å
80	A	98.7	Very high	98	Very high	30 Å²	30	62.7 Å²	62.7	25%	0.248	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.7	177.8	0	0	0	0	0	111.3	L56 V62 K63 A66	L56-A80 CarbonylContact O-C 3.54Å; V62-A80 HydrophobicContact CG1-CB 4.45Å; K63-A80 HydrophobicContact CB-CB 4.5Å; K63-A80 HydrophobicContact CG-CB 4.09Å; A66-A80 HydrophobicContact CB-CB 3.54Å
81	H	98.8	Very high	98.1	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.019	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	104.9	-179.4	-60.9	-89.1	0	0	0	109.4	L56 Y57 D58 V62 T79 E86 E89 C90	L56-H81 PolarHBondContact O-N 3.49Å; Y57-H81 WeakPolarHBondContact CA-O 3.42Å; Y57-H81 HydrophobicContact CD2-CB 4.18Å; Y57-H81 VanDerWaalsContact CD2-O 3.26Å; Y57-H81 WeakPolarHBondContact CD2-O 3.25Å; D58-H81 PolarHBondContact N-O 3.16Å; V62-H81 WeakPolarHBondContact CG1-O 3.5Å; T79-H81 PolarHBondContact OG1-NE2 3.27Å; H81-E86 VanDerWaalsContact CA-OE2 3.28Å; H81-E86 WeakPolarHBondContact CA-OE2 3.35Å; H81-E86 HydrophobicContact CB-CB 3.95Å; H81-E86 PolarHBondContact ND1-O 2.99Å; H81-E89 IonicContact CE1-OE1 2.83Å; H81-C90 HydrophobicContact CB-CB 3.67Å; H81-C90 PolarHBondContact CE1-N 2.91Å; H81-C90 VanDerWaalsContact CG-CB 3.43Å; H81-C90 PolarHBondContact ND1-N 3.42Å
82	L	98.5	Very high	98	Very high	61 Å²	61	56.1 Å²	56.1	32%	0.319	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.6	-172	-179.2	67.6	0	0	0	112	D58 V62 K63 E86	D58-L82 WeakPolarHBondContact O-CA 3.2Å; V62-L82 HydrophobicContact CG1-CB 3.89Å; V62-L82 HydrophobicContact CG1-CD1 3.96Å; K63-L82 HydrophobicContact CD-CD2 4.23Å; K63-L82 HydrophobicContact CG-CB 4.45Å; L82-E86 PolarHBondContact N-OE2 2.91Å
83	G	97.7	Very high	98	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	34%	0.336	C	S	.	.	S	Bend	trans	74	171.1	172.4	0	0	0	0	0	114.8	Y57 D58 G85 E86	Y57-G83 WeakPolarHBondContact CE2-O 3.5Å; D58-G83 PolarHBondContact O-N 3.39Å; G83-G85 PolarHBondContact O-N 3.35Å; G83-E86 PolarHBondContact O-N 3.34Å
84	P	95.7	Very high	98	Very high	88 Å²	88	47.3 Å²	47.3	57%	0.571	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-55.9	-30.5	-166.2	-28.7	35.7	0	0	0	115.3	E86 L87	P84-E86 VanDerWaalsContact C-N 3.3Å; P84-E86 PolarHBondContact O-N 3.39Å; P84-L87 WeakPolarHBondContact O-CB 3.44Å; P84-L87 PolarHBondContact O-N 2.85Å
85	G	97.3	Very high	98	Very high	79 Å²	79	47.6 Å²	47.6	81%	0.814	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.8	-25	178.8	0	0	0	0	0	114.7	G83	G83-G85 PolarHBondContact O-N 3.35Å
86	E	98.5	Very high	98.2	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-100.9	-4.4	179.4	-61.1	-178.4	-164.1	0	0	111.8	K63 H81 L82 G83 P84 A88 E89 C90	K63-E86 IonicContact NZ-OE1 3.54Å; K63-E86 PolarHBondContact NZ-OE1 3.01Å; H81-E86 VanDerWaalsContact CA-OE2 3.28Å; H81-E86 WeakPolarHBondContact CA-OE2 3.35Å; H81-E86 HydrophobicContact CB-CB 3.95Å; H81-E86 PolarHBondContact ND1-O 2.99Å; L82-E86 PolarHBondContact N-OE2 2.91Å; G83-E86 PolarHBondContact O-N 3.34Å; P84-E86 VanDerWaalsContact C-N 3.3Å; P84-E86 PolarHBondContact O-N 3.39Å; E86-A88 PolarHBondContact O-N 2.86Å; E86-E89 PolarHBondContact O-N 3.04Å; E86-C90 PolarHBondContact O-N 3.12Å; E86-C90 VanDerWaalsContact O-N 3.16Å
87	L	98.5	Very high	98.2	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	27%	0.266	C	S	.	.	H	α-helix	trans	-63.3	-39.5	-175.7	-179.5	56.2	0	0	0	113.3	L31 Y57 P84 E89 C90 L91 L125 S128	L31-L87 HydrophobicContact CD1-CD1 4.5Å; L31-L87 HydrophobicContact CD2-CD1 3.94Å; Y57-L87 HydrophobicContact CD1-CD1 3.81Å; Y57-L87 HydrophobicContact CD2-CB 4.05Å; Y57-L87 HydrophobicContact CD2-CD1 3.66Å; Y57-L87 HydrophobicContact CD2-CG 4.41Å; Y57-L87 HydrophobicContact CE1-CD1 3.91Å; Y57-L87 HydrophobicContact CE2-CB 3.58Å; Y57-L87 HydrophobicContact CE2-CD1 3.75Å; Y57-L87 HydrophobicContact CE2-CD2 4.49Å; Y57-L87 HydrophobicContact CE2-CG 4.1Å; Y57-L87 HydrophobicContact CG-CD1 3.68Å; P84-L87 WeakPolarHBondContact O-CB 3.44Å; P84-L87 PolarHBondContact O-N 2.85Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.81Å; L87-C90 VanDerWaalsContact O-CB 3.31Å; L87-C90 WeakPolarHBondContact O-CB 3.41Å; L87-C90 PolarHBondContact O-N 3.38Å; L87-L91 HydrophobicContact CD1-CD1 3.85Å; L87-L91 HydrophobicContact CD1-CG 4.08Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 3.34Å; L87-L91 VanDerWaalsContact O-N 3.15Å; L87-L125 HydrophobicContact CD1-CD2 4.38Å; L87-L125 HydrophobicContact CD2-CD2 3.95Å; L87-S128 VanDerWaalsContact CD2-CB 3.48Å; L87-S128 WeakPolarHBondContact CD2-OG 3.38Å; L87-S128 WeakPolarHBondContact CG-OG 3.34Å
88	A	98.3	Very high	98.3	Very high	38 Å²	38	35.9 Å²	35.9	31%	0.314	24%	0.24	S	C	.	.	H	α-helix	trans	-62.8	-40.4	179.4	0	0	0	0	0	112	E86 L91 T92 N132	E86-A88 PolarHBondContact O-N 2.86Å; A88-L91 PolarHBondContact O-N 2.86Å; A88-T92 PolarHBondContact O-N 2.64Å; A88-T92 PolarHBondContact O-OG1 2.9Å; A88-N132 WeakPolarHBondContact CB-OD1 3.45Å
89	E	98.5	Very high	98.3	Very high	131 Å²	131	35.1 Å²	35.1	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-66.5	-40.1	176.8	-167.5	-172.5	148.5	0	0	111.3	K27 H81 E86 L87 L91	K27-E89 PolarHBondContact NZ-O 3.19Å; H81-E89 IonicContact CE1-OE1 2.83Å; E86-E89 PolarHBondContact O-N 3.04Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-E89 PolarHBondContact O-N 2.81Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 2.71Å
90	C	98.7	Very high	98.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.1	-46.8	173.4	-170.6	0	0	0	0	111.7	K27 Y57 H81 E86 L87	K27-C90 WeakPolarHBondContact CE-O 3.24Å; K27-C90 PolarHBondContact NZ-O 3Å; Y57-C90 VanDerWaalsContact CB-SG 3.6Å; H81-C90 HydrophobicContact CB-CB 3.67Å; H81-C90 PolarHBondContact CE1-N 2.91Å; H81-C90 VanDerWaalsContact CG-CB 3.43Å; H81-C90 PolarHBondContact ND1-N 3.42Å; E86-C90 PolarHBondContact O-N 3.12Å; E86-C90 VanDerWaalsContact O-N 3.16Å; L87-C90 VanDerWaalsContact O-CB 3.31Å; L87-C90 WeakPolarHBondContact O-CB 3.41Å; L87-C90 PolarHBondContact O-N 3.38Å
91	L	98.7	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-81.6	-30.9	-172.2	-67.9	171.9	0	0	0	113.7	A29 L31 L87 A88 E89 G93 A94 V97 S128 N132 C133	A29-L91 HydrophobicContact CB-CD2 4.47Å; L31-L91 HydrophobicContact CD1-CD2 4.12Å; L31-L91 HydrophobicContact CD2-CD2 3.98Å; L87-L91 HydrophobicContact CD1-CD1 3.85Å; L87-L91 HydrophobicContact CD1-CG 4.08Å; L87-L91 HydrophobicContact CG-CD1 3.93Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 3.34Å; L87-L91 VanDerWaalsContact O-N 3.15Å; A88-L91 PolarHBondContact O-N 2.86Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 2.71Å; L91-G93 PolarHBondContact O-N 3.25Å; L91-G93 VanDerWaalsContact O-N 3.14Å; L91-A94 WeakPolarHBondContact O-CB 3.32Å; L91-A94 PolarHBondContact O-N 2.89Å; L91-V97 HydrophobicContact CD2-CG1 4.04Å; L91-V97 HydrophobicContact CD2-CG2 3.9Å; L91-S128 VanDerWaalsContact CD1-OG 3.29Å; L91-S128 WeakPolarHBondContact CD1-OG 3.25Å; L91-N132 HydrophobicContact CB-CB 3.77Å; L91-N132 HydrophobicContact CD1-CB 4.36Å; L91-C133 HydrophobicContact CB-CB 4.47Å; L91-C133 WeakPolarHBondContact O-CB 3.48Å
92	T	98.3	Very high	98	Very high	80 Å²	80	35.1 Å²	35.1	49%	0.491	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	120.7	-174.7	-65.4	0	0	0	0	111.7	K27 A88 A94	K27-T92 PolarHBondContact NZ-O 3.32Å; A88-T92 PolarHBondContact O-N 2.64Å; A88-T92 PolarHBondContact O-OG1 2.9Å; T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 3.25Å
93	G	97.1	Very high	97.5	Very high	56 Å²	56	35.2 Å²	35.2	58%	0.577	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.8	-178.9	0	0	0	0	0	115.5	L91 N95	L91-G93 PolarHBondContact O-N 3.25Å; L91-G93 VanDerWaalsContact O-N 3.14Å; G93-N95 PolarHBondContact O-N 3.27Å
94	A	98.5	Very high	96.7	Very high	8 Å²	8	37.7 Å²	37.7	7%	0.066	26%	0.255	C	S	.	.			trans	-64.1	134.2	175.4	0	0	0	0	0	111.1	K27 A29 L91 T92 V97 C133 A136	K27-A94 HydrophobicContact CD-CB 4.46Å; A29-A94 HydrophobicContact CB-CB 4.15Å; L91-A94 WeakPolarHBondContact O-CB 3.32Å; L91-A94 PolarHBondContact O-N 2.89Å; T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 3.25Å; A94-V97 HydrophobicContact CB-CG2 3.94Å; A94-C133 HydrophobicContact CB-CB 4.38Å; A94-A136 WeakPolarHBondContact O-CB 3.37Å
95	N	98.3	Very high	95.6	Very high	56 Å²	56	40.8 Å²	40.8	30%	0.299	26%	0.255	S	S	.	.	S	Bend	trans	-90.5	-36.2	173.7	-63.2	105.4	0	0	0	111.5	P26 K27 G93 A136 M137 M267	P26-N95 VanDerWaalsContact CA-OD1 3.24Å; P26-N95 WeakPolarHBondContact CA-OD1 3.49Å; P26-N95 HydrophobicContact CB-CB 4.09Å; K27-N95 PolarHBondContact N-OD1 3.05Å; K27-N95 WeakPolarHBondContact O-CB 3.49Å; K27-N95 PolarHBondContact O-N 3.31Å; G93-N95 PolarHBondContact O-N 3.27Å; N95-A136 WeakPolarHBondContact O-CA 3.3Å; N95-M137 PolarHBondContact O-N 3.44Å; N95-M267 HydrophobicContact CB-CE 3.84Å
96	V	98.8	Very high	94.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.2	176.4	-176.6	0	0	0	0	108.4	K27 V28 A29 I98 M137 L264 M267	K27-V96 PolarHBondContact O-N 3.46Å; V28-V96 CarbonylContact C-O 3.58Å; V28-V96 WeakPolarHBondContact CA-O 3.11Å; V28-V96 HydrophobicContact CG1-CB 4.39Å; V28-V96 HydrophobicContact CG2-CB 4.26Å; A29-V96 PolarHBondContact N-O 3.1Å; V96-I98 HydrophobicContact CG1-CG1 4.05Å; V96-M137 CarbonylContact C-O 3.57Å; V96-M137 WeakPolarHBondContact CA-O 3.2Å; V96-M137 HydrophobicContact CG1-CB 4.46Å; V96-M137 HydrophobicContact CG2-CB 4.25Å; V96-L264 HydrophobicContact CG2-CD2 3.88Å; V96-L264 HydrophobicContact CG2-CG 4.42Å; V96-M267 HydrophobicContact CG2-SD 4.05Å
97	V	98.9	Very high	93.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.2	173.4	-178.4	0	0	0	0	108.2	A29 L31 L91 A94 I99 A136 M137 C139	A29-V97 HydrophobicContact CB-CG2 4.27Å; A29-V97 CarbonylContact O-C 3.5Å; A29-V97 WeakPolarHBondContact O-CA 3.5Å; L31-V97 HydrophobicContact CD1-CG1 3.69Å; L31-V97 HydrophobicContact CD2-CG1 4.44Å; L31-V97 HydrophobicContact CG-CG1 3.78Å; L91-V97 HydrophobicContact CD2-CG1 4.04Å; L91-V97 HydrophobicContact CD2-CG2 3.9Å; A94-V97 HydrophobicContact CB-CG2 3.94Å; V97-I99 HydrophobicContact CG1-CD1 4.37Å; V97-I99 HydrophobicContact CG1-CG1 4.01Å; V97-A136 HydrophobicContact CG2-CB 3.86Å; V97-M137 PolarHBondContact N-O 2.99Å; V97-C139 PolarHBondContact O-N 3.29Å
98	I	98.9	Very high	92.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.7	178.7	-47	169.4	0	0	0	108.3	V28 A29 V30 L31 L41 L45 V96 P100 C139 I141 A260	V28-I98 HydrophobicContact CG1-CD1 3.98Å; V28-I98 HydrophobicContact CG1-CG1 4.38Å; A29-I98 PolarHBondContact O-N 3.28Å; V30-I98 WeakPolarHBondContact CA-O 3.41Å; L31-I98 PolarHBondContact N-O 3.17Å; L41-I98 HydrophobicContact CD2-CB 4.36Å; L41-I98 HydrophobicContact CD2-CD1 4.49Å; L41-I98 HydrophobicContact CD2-CG2 3.84Å; L45-I98 HydrophobicContact CD1-CD1 3.76Å; L45-I98 HydrophobicContact CD2-CD1 4.27Å; V96-I98 HydrophobicContact CG1-CG1 4.05Å; I98-P100 WeakPolarHBondContact O-CD 3.31Å; I98-C139 HydrophobicContact CB-CB 4.45Å; I98-C139 HydrophobicContact CG1-CB 4.28Å; I98-C139 HydrophobicContact CG2-CB 4.23Å; I98-I141 HydrophobicContact CG2-CD1 3.54Å; I98-I141 HydrophobicContact CG2-CG1 4.23Å; I98-A260 HydrophobicContact CD1-CB 3.6Å; I98-A260 HydrophobicContact CG1-CB 4.47Å
99	I	98.9	Very high	91.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	84.3	-173.7	-48.5	-171.9	0	0	0	109.7	L31 V97 A101 L125 I126 I138 C139 I140 I141 T142	L31-I99 HydrophobicContact CB-CG1 4.38Å; L31-I99 HydrophobicContact CB-CG2 4.43Å; L31-I99 HydrophobicContact CD1-CD1 3.98Å; L31-I99 HydrophobicContact CD1-CG1 3.99Å; L31-I99 HydrophobicContact CG-CG1 4.32Å; V97-I99 HydrophobicContact CG1-CD1 4.37Å; V97-I99 HydrophobicContact CG1-CG1 4.01Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 HydrophobicContact CG2-CB 4.17Å; I99-L125 HydrophobicContact CD1-CB 4.33Å; I99-L125 HydrophobicContact CG2-CD1 3.68Å; I99-I126 HydrophobicContact CD1-CD1 3.71Å; I99-I126 HydrophobicContact CD1-CG1 4.33Å; I99-I138 HydrophobicContact CD1-CG2 4.22Å; I99-C139 PolarHBondContact N-O 2.92Å; I99-I140 HydrophobicContact CB-CD1 4.31Å; I99-I140 HydrophobicContact CD1-CD1 3.8Å; I99-I140 HydrophobicContact CG1-CD1 4.31Å; I99-I141 WeakPolarHBondContact O-CA 3.2Å; I99-I141 WeakPolarHBondContact O-CB 3.47Å; I99-I141 PolarHBondContact O-N 2.99Å; I99-T142 PolarHBondContact O-N 3.23Å; I99-T142 VanDerWaalsContact O-N 3.08Å; I99-T142 PolarHBondContact O-OG1 3.35Å; I99-T142 VanDerWaalsContact O-OG1 3.09Å
100	P	98.4	Very high	90.7	Very high	14 Å²	14	47 Å²	47	9%	0.091	29%	0.293	C	S	.	.			trans	-81.5	-8.3	164.2	34	-38.1	0	0	0	113.6	V30 L31 I37 L41 I98 G102 I141	V30-P100 HydrophobicContact CG1-CG 3.95Å; L31-P100 WeakPolarHBondContact O-CD 3.2Å; I37-P100 HydrophobicContact CB-CB 4.02Å; I37-P100 HydrophobicContact CG2-CB 3.78Å; L41-P100 HydrophobicContact CD2-CG 4.12Å; I98-P100 WeakPolarHBondContact O-CD 3.31Å; P100-G102 PolarHBondContact O-N 3.23Å; P100-I141 HydrophobicContact CB-CB 4.42Å; P100-I141 HydrophobicContact CB-CD1 4.47Å; P100-I141 HydrophobicContact CB-CG2 4.4Å
101	A	97.6	Very high	89.8	Confident	14 Å²	14	56.6 Å²	56.6	12%	0.116	33%	0.329	C	S	.	.			trans	-52.8	124.2	-179.6	0	0	0	0	0	112	L31 I99 I121 L125 T142	L31-A101 WeakPolarHBondContact O-CB 3.36Å; L31-A101 PolarHBondContact O-N 3.35Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 HydrophobicContact CG2-CB 4.17Å; A101-I121 HydrophobicContact CB-CG2 3.92Å; A101-L125 HydrophobicContact CB-CD1 3.58Å; A101-T142 WeakPolarHBondContact O-CB 3.49Å; A101-T142 WeakPolarHBondContact O-CG2 3.47Å; A101-T142 PolarHBondContact O-OG1 3.5Å
102	G	93.9	Very high	89.2	Confident	34 Å²	34	60.8 Å²	60.8	35%	0.351	35%	0.351	S	S	.	.			trans	172.5	157.8	178.7	0	0	0	0	0	110.2	P100 N118	P100-G102 PolarHBondContact O-N 3.23Å; G102-N118 WeakPolarHBondContact CA-OD1 3.49Å
103	M	88.1	Confident	88.7	Confident	64 Å²	64	60.3 Å²	60.3	32%	0.315	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-79.8	135.7	172.8	-69.7	-61.9	-68.5	0	0	109.3	K106 L114 T117 N118 I121	M103-K106 HydrophobicContact CE-CD 4.29Å; M103-K106 VanDerWaalsContact CE-CE 3.49Å; M103-L114 HydrophobicContact CB-CD1 4.32Å; M103-L114 WeakPolarHBondContact O-CD1 3.49Å; M103-T117 HydrophobicContact CB-CG2 4.23Å; M103-T117 HydrophobicContact CG-CG2 3.67Å; M103-N118 PolarHBondContact N-OD1 2.84Å; M103-N118 PolarHBondContact O-ND2 3.42Å; M103-I121 HydrophobicContact CG-CD1 4.4Å
104	P	81.4	Confident	88.3	Confident	63 Å²	63	59.1 Å²	59.1	41%	0.409	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-70	156.2	162.9	31.2	-33.4	0	0	0	109.2	K106	P104-K106 PolarHBondContact O-N 3.28Å
105	R	72.6	Confident	88.1	Confident	153 Å²	153	59.2 Å²	59.2	58%	0.577	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-60.1	122.9	170.9	-168.1	175.4	-176.7	-165.2	-3.1	109.1	L114	R105-L114 HydrophobicContact CB-CD2 3.92Å; R105-L114 HydrophobicContact CG-CD2 4.31Å
106	K	73.5	Confident	87.9	Confident	110 Å²	110	60.1 Å²	60.1	48%	0.478	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-100.6	153.3	172.4	-67.5	-176.8	176.7	-179.2	0	110.5	M103 P104 G108 M109	M103-K106 HydrophobicContact CE-CD 4.29Å; M103-K106 VanDerWaalsContact CE-CE 3.49Å; P104-K106 PolarHBondContact O-N 3.28Å; K106-G108 PolarHBondContact O-N 2.98Å; K106-M109 HydrophobicContact CB-CG 4.32Å; K106-M109 HydrophobicContact CB-SD 4Å; K106-M109 HydrophobicContact CD-CE 4.49Å; K106-M109 HydrophobicContact CG-SD 4.38Å; K106-M109 PolarHBondContact O-N 3.08Å; K106-M109 VanDerWaalsContact O-N 3.11Å
107	P	73.5	Confident	87.7	Confident	129 Å²	129	62.6 Å²	62.6	84%	0.838	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	133.2	167.9	-26.3	35.1	0	0	0	110.8	M109	P107-M109 PolarHBondContact O-N 3.04Å
108	G	80.2	Confident	87.6	Confident	82 Å²	82	62.8 Å²	62.8	85%	0.845	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	88	-16.2	-178.2	0	0	0	0	0	116.1	K106	K106-G108 PolarHBondContact O-N 2.98Å
109	M	79.4	Confident	87.6	Confident	50 Å²	50	62.7 Å²	62.7	25%	0.246	35%	0.346	C	S	.	.			trans	-76.1	129.9	174.5	-75.8	-179.3	164.7	0	0	111.5	K106 P107	K106-M109 HydrophobicContact CB-CG 4.32Å; K106-M109 HydrophobicContact CB-SD 4Å; K106-M109 HydrophobicContact CD-CE 4.49Å; K106-M109 HydrophobicContact CG-SD 4.38Å; K106-M109 PolarHBondContact O-N 3.08Å; K106-M109 VanDerWaalsContact O-N 3.11Å; P107-M109 PolarHBondContact O-N 3.04Å
110	T	81.1	Confident	87.5	Confident	72 Å²	72	65.1 Å²	65.1	44%	0.442	36%	0.363	S	S	.	.			trans	-71.2	165.1	168.4	72.1	0	0	0	0	110.5	D112 D113 L114	T110-D112 PolarHBondContact O-N 3.4Å; T110-D112 PolarHBondContact OG1-N 3.32Å; T110-D113 WeakPolarHBondContact CB-OD2 3.46Å; T110-D113 WeakPolarHBondContact CG2-OD2 3.38Å; T110-D113 PolarHBondContact N-OD2 3.29Å; T110-D113 PolarHBondContact O-N 3.16Å; T110-D113 PolarHBondContact OG1-N 3.47Å; T110-D113 PolarHBondContact OG1-OD1 3.44Å; T110-D113 PolarHBondContact OG1-OD2 2.7Å; T110-L114 PolarHBondContact O-N 2.89Å
111	R	80.1	Confident	87.4	Confident	203 Å²	203	66.7 Å²	66.7	77%	0.766	37%	0.37	S	S	*	.	H	α-helix	trans	-61.3	-32.2	173	-72.2	-178.2	175.6	178	-1.5	111.6	F115	R111-F115 WeakPolarHBondContact O-CB 3.43Å; R111-F115 PolarHBondContact O-N 2.79Å; R111-F115 VanDerWaalsContact O-N 3.09Å
112	D	85.9	Confident	87.4	Confident	87 Å²	87	66 Å²	66	47%	0.465	36%	0.364	S	S	.	.	H	α-helix	trans	-76.5	-37	-179.9	-71.5	-26	0	0	0	112.5	T110 L114 F115 N116 K330	T110-D112 PolarHBondContact O-N 3.4Å; T110-D112 PolarHBondContact OG1-N 3.32Å; D112-L114 VanDerWaalsContact C-N 3.33Å; D112-L114 PolarHBondContact O-N 2.85Å; D112-F115 WeakPolarHBondContact O-CB 3.42Å; D112-F115 PolarHBondContact O-N 3.45Å; D112-N116 WeakPolarHBondContact O-CB 3.45Å; D112-N116 PolarHBondContact O-N 2.83Å; D112-N116 PolarHBondContact O-ND2 3.39Å; D112-K330 IonicContact OD1-NZ 2.7Å; D112-K330 PolarHBondContact OD1-NZ 2.92Å
113	D	88.3	Confident	87.7	Confident	71 Å²	71	64.4 Å²	64.4	38%	0.38	35%	0.347	S	S	.	.	H	α-helix	trans	-61.3	-45.2	174.4	-59.5	-38.6	0	0	0	111.3	T110 F115 N116 T117	T110-D113 WeakPolarHBondContact CB-OD2 3.46Å; T110-D113 WeakPolarHBondContact CG2-OD2 3.38Å; T110-D113 PolarHBondContact N-OD2 3.29Å; T110-D113 PolarHBondContact O-N 3.16Å; T110-D113 PolarHBondContact OG1-N 3.47Å; T110-D113 PolarHBondContact OG1-OD1 3.44Å; T110-D113 PolarHBondContact OG1-OD2 2.7Å; D113-F115 VanDerWaalsContact C-N 3.34Å; D113-N116 PolarHBondContact O-N 3.36Å; D113-T117 WeakPolarHBondContact O-CB 3.44Å; D113-T117 PolarHBondContact O-N 2.94Å; D113-T117 PolarHBondContact O-OG1 2.91Å
114	L	88.9	Confident	88.1	Confident	31 Å²	31	65.1 Å²	65.1	16%	0.162	35%	0.35	C	S	.	.	H	α-helix	trans	-62.4	-43.5	177	-178.3	62.5	0	0	0	111.1	M103 R105 T110 D112 N118	M103-L114 HydrophobicContact CB-CD1 4.32Å; M103-L114 WeakPolarHBondContact O-CD1 3.49Å; R105-L114 HydrophobicContact CB-CD2 3.92Å; R105-L114 HydrophobicContact CG-CD2 4.31Å; T110-L114 PolarHBondContact O-N 2.89Å; D112-L114 VanDerWaalsContact C-N 3.33Å; D112-L114 PolarHBondContact O-N 2.85Å; L114-N118 WeakPolarHBondContact O-CB 3.43Å; L114-N118 PolarHBondContact O-N 3.15Å
115	F	94.1	Very high	88.9	Confident	10 Å²	10	62.4 Å²	62.4	4%	0.044	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-54.6	174.8	168.8	-97.2	0	0	0	111.4	R111 D112 D113 T117 N118 A119 P144 I151 K330 F334	R111-F115 WeakPolarHBondContact O-CB 3.43Å; R111-F115 PolarHBondContact O-N 2.79Å; R111-F115 VanDerWaalsContact O-N 3.09Å; D112-F115 WeakPolarHBondContact O-CB 3.42Å; D112-F115 PolarHBondContact O-N 3.45Å; D113-F115 VanDerWaalsContact C-N 3.34Å; F115-T117 VanDerWaalsContact C-N 3.3Å; F115-T117 PolarHBondContact O-N 3.4Å; F115-N118 PolarHBondContact O-N 2.63Å; F115-A119 HydrophobicContact CE1-CB 4.36Å; F115-A119 HydrophobicContact CE2-CB 4.34Å; F115-A119 HydrophobicContact CZ-CB 4.17Å; F115-A119 WeakPolarHBondContact O-CB 3.37Å; F115-A119 PolarHBondContact O-N 2.78Å; F115-P144 HydrophobicContact CD2-CG 3.8Å; F115-I151 HydrophobicContact CE2-CD1 4.28Å; F115-I151 HydrophobicContact CZ-CD1 4.26Å; F115-K330 HydrophobicContact CD1-CD 4.38Å; F115-K330 VanDerWaalsContact CD1-CE 3.43Å; F115-K330 HydrophobicContact CD2-CD 4.49Å; F115-K330 HydrophobicContact CE1-CD 4.23Å; F115-K330 HydrophobicContact CE1-CG 3.93Å; F115-K330 HydrophobicContact CE2-CD 4.36Å; F115-K330 HydrophobicContact CE2-CG 4.23Å; F115-K330 HydrophobicContact CZ-CD 4.22Å; F115-K330 HydrophobicContact CZ-CG 3.74Å; F115-F334 HydrophobicContact CE1-CB 4.2Å; F115-F334 HydrophobicContact CE1-CD2 4.13Å; F115-F334 HydrophobicContact CE1-CG 4.42Å; F115-F334 HydrophobicContact CZ-CB 3.97Å; F115-F334 HydrophobicContact CZ-CG 4.38Å
116	N	94.5	Very high	90.2	Very high	75 Å²	75	55.1 Å²	55.1	40%	0.401	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-39.3	-175.9	-72.3	-34.5	0	0	0	112.2	D112 D113 S120	D112-N116 WeakPolarHBondContact O-CB 3.45Å; D112-N116 PolarHBondContact O-N 2.83Å; D112-N116 PolarHBondContact O-ND2 3.39Å; D113-N116 PolarHBondContact O-N 3.36Å; N116-S120 WeakPolarHBondContact O-CB 3.32Å; N116-S120 PolarHBondContact O-N 2.85Å; N116-S120 VanDerWaalsContact O-N 3.08Å; N116-S120 PolarHBondContact O-OG 3.16Å
117	T	94.6	Very high	91.3	Very high	51 Å²	51	50.7 Å²	50.7	31%	0.313	29%	0.286	S	S	.	.	H	α-helix	trans	-63.2	-53.3	177	-56.7	0	0	0	0	110.9	M103 D113 F115 A119 S120 I121	M103-T117 HydrophobicContact CB-CG2 4.23Å; M103-T117 HydrophobicContact CG-CG2 3.67Å; D113-T117 WeakPolarHBondContact O-CB 3.44Å; D113-T117 PolarHBondContact O-N 2.94Å; D113-T117 PolarHBondContact O-OG1 2.91Å; F115-T117 VanDerWaalsContact C-N 3.3Å; F115-T117 PolarHBondContact O-N 3.4Å; T117-A119 PolarHBondContact O-N 3.14Å; T117-S120 PolarHBondContact O-N 3.13Å; T117-I121 HydrophobicContact CG2-CD1 4.17Å; T117-I121 WeakPolarHBondContact O-CG1 3.13Å; T117-I121 PolarHBondContact O-N 3.31Å; T117-I121 VanDerWaalsContact O-N 3.12Å
118	N	96.8	Very high	92.5	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-33	-177.8	-73.6	-3.5	0	0	0	112.5	G102 M103 L114 F115 S120 I121 V122 T142 N143	G102-N118 WeakPolarHBondContact CA-OD1 3.49Å; M103-N118 PolarHBondContact N-OD1 2.84Å; M103-N118 PolarHBondContact O-ND2 3.42Å; L114-N118 WeakPolarHBondContact O-CB 3.43Å; L114-N118 PolarHBondContact O-N 3.15Å; F115-N118 PolarHBondContact O-N 2.63Å; N118-S120 VanDerWaalsContact C-N 3.34Å; N118-I121 PolarHBondContact O-N 3Å; N118-V122 WeakPolarHBondContact O-CG2 3.38Å; N118-V122 PolarHBondContact O-N 3.3Å; N118-T142 HydrophobicContact CB-CG2 3.81Å; N118-N143 VanDerWaalsContact CB-O 3.31Å; N118-N143 WeakPolarHBondContact CB-O 3.26Å; N118-N143 PolarHBondContact ND2-O 3.25Å
119	A	97.3	Very high	93.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-43.1	173.4	0	0	0	0	0	111.5	F115 T117 V122 A123 I151 F334	F115-A119 HydrophobicContact CE1-CB 4.36Å; F115-A119 HydrophobicContact CE2-CB 4.34Å; F115-A119 HydrophobicContact CZ-CB 4.17Å; F115-A119 WeakPolarHBondContact O-CB 3.37Å; F115-A119 PolarHBondContact O-N 2.78Å; T117-A119 PolarHBondContact O-N 3.14Å; A119-V122 PolarHBondContact O-N 2.94Å; A119-A123 VanDerWaalsContact O-CB 3.32Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 2.95Å; A119-I151 HydrophobicContact CB-CD1 3.52Å; A119-F334 HydrophobicContact CB-CD1 3.74Å; A119-F334 HydrophobicContact CB-CD2 3.77Å; A119-F334 HydrophobicContact CB-CE1 3.6Å; A119-F334 HydrophobicContact CB-CE2 3.62Å; A119-F334 HydrophobicContact CB-CG 3.84Å; A119-F334 HydrophobicContact CB-CZ 3.55Å
120	S	96.9	Very high	94.3	Very high	51 Å²	51	39.3 Å²	39.3	36%	0.357	20%	0.202	S	C	.	.	H	α-helix	trans	-64.9	-44	176.2	-56.6	0	0	0	0	112	N116 T117 N118 A123 E124	N116-S120 WeakPolarHBondContact O-CB 3.32Å; N116-S120 PolarHBondContact O-N 2.85Å; N116-S120 VanDerWaalsContact O-N 3.08Å; N116-S120 PolarHBondContact O-OG 3.16Å; T117-S120 PolarHBondContact O-N 3.13Å; N118-S120 VanDerWaalsContact C-N 3.34Å; S120-A123 PolarHBondContact O-N 3.26Å; S120-E124 PolarHBondContact O-N 3.48Å; S120-E124 VanDerWaalsContact O-N 3.08Å
121	I	97.2	Very high	95.1	Very high	46 Å²	46	41.9 Å²	41.9	24%	0.236	21%	0.207	C	C	.	.	H	α-helix	trans	-59.7	-49.5	176.6	-67.5	166.8	0	0	0	110.5	A101 M103 T117 N118 A123 E124 L125	A101-I121 HydrophobicContact CB-CG2 3.92Å; M103-I121 HydrophobicContact CG-CD1 4.4Å; T117-I121 HydrophobicContact CG2-CD1 4.17Å; T117-I121 WeakPolarHBondContact O-CG1 3.13Å; T117-I121 PolarHBondContact O-N 3.31Å; T117-I121 VanDerWaalsContact O-N 3.12Å; N118-I121 PolarHBondContact O-N 3Å; I121-A123 PolarHBondContact O-N 2.97Å; I121-E124 PolarHBondContact O-N 3.4Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CG 4.45Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.88Å
122	V	98.3	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.5	-43.8	-179.8	170.4	0	0	0	0	111	N118 A119 E124 L125 I126 I140 T142 T148 I151 A152	N118-V122 WeakPolarHBondContact O-CG2 3.38Å; N118-V122 PolarHBondContact O-N 3.3Å; A119-V122 PolarHBondContact O-N 2.94Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 2.82Å; V122-L125 PolarHBondContact O-N 2.81Å; V122-I126 HydrophobicContact CG1-CG1 3.97Å; V122-I126 VanDerWaalsContact O-CB 3.31Å; V122-I126 WeakPolarHBondContact O-CB 3.47Å; V122-I126 WeakPolarHBondContact O-CG1 3.45Å; V122-I126 PolarHBondContact O-N 2.89Å; V122-I140 HydrophobicContact CG1-CD1 4.47Å; V122-T142 HydrophobicContact CG2-CG2 3.56Å; V122-T148 HydrophobicContact CG2-CG2 3.95Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; V122-A152 HydrophobicContact CG1-CB 4.39Å
123	A	98.2	Very high	96.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.5	-42.9	179.9	0	0	0	0	0	112.3	A119 S120 I121 D127 I151 I155 F334 Y338	A119-A123 VanDerWaalsContact O-CB 3.32Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 2.95Å; S120-A123 PolarHBondContact O-N 3.26Å; I121-A123 PolarHBondContact O-N 2.97Å; A123-D127 VanDerWaalsContact O-CB 3.31Å; A123-D127 WeakPolarHBondContact O-CB 3.36Å; A123-D127 PolarHBondContact O-N 2.84Å; A123-I151 HydrophobicContact CB-CG2 4Å; A123-I155 HydrophobicContact CB-CD1 4.38Å; A123-I155 HydrophobicContact CB-CG1 4.21Å; A123-F334 HydrophobicContact CB-CE1 4.27Å; A123-Y338 HydrophobicContact CB-CD1 3.83Å; A123-Y338 HydrophobicContact CB-CD2 3.7Å; A123-Y338 HydrophobicContact CB-CE1 3.66Å; A123-Y338 HydrophobicContact CB-CE2 3.53Å; A123-Y338 HydrophobicContact CB-CG 3.84Å
124	E	97.5	Very high	97	Very high	80 Å²	80	30 Å²	30	37%	0.374	16%	0.162	S	C	.	.	H	α-helix	trans	-64.9	-47.1	177.3	-176.3	-178.3	155.9	0	0	112.3	S120 I121 V122 I126 D127 S128 Y338	S120-E124 PolarHBondContact O-N 3.48Å; S120-E124 VanDerWaalsContact O-N 3.08Å; I121-E124 PolarHBondContact O-N 3.4Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-E124 PolarHBondContact O-N 2.82Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.26Å; E124-D127 PolarHBondContact O-N 2.92Å; E124-S128 PolarHBondContact O-N 3.46Å; E124-S128 VanDerWaalsContact O-N 3.16Å; E124-Y338 WeakPolarHBondContact CA-OH 3.12Å; E124-Y338 PolarHBondContact N-OH 3.49Å
125	L	98.5	Very high	97.5	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-66	-37.3	-179.8	-64.8	177.7	0	0	0	111.8	L31 Y57 L87 I99 A101 I121 V122 S128 C129	L31-L125 HydrophobicContact CB-CD1 3.98Å; L31-L125 HydrophobicContact CB-CD2 4.47Å; L31-L125 HydrophobicContact CD1-CB 3.95Å; L31-L125 HydrophobicContact CD1-CD1 4.28Å; L31-L125 HydrophobicContact CD1-CD2 4.13Å; L31-L125 HydrophobicContact CD1-CG 4.34Å; Y57-L125 HydrophobicContact CD1-CD2 4.26Å; Y57-L125 HydrophobicContact CE1-CD2 3.66Å; L87-L125 HydrophobicContact CD1-CD2 4.38Å; L87-L125 HydrophobicContact CD2-CD2 3.95Å; I99-L125 HydrophobicContact CD1-CB 4.33Å; I99-L125 HydrophobicContact CG2-CD1 3.68Å; A101-L125 HydrophobicContact CB-CD1 3.58Å; I121-L125 HydrophobicContact CG2-CD1 3.86Å; I121-L125 HydrophobicContact CG2-CG 4.45Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.33Å; I121-L125 PolarHBondContact O-N 2.88Å; V122-L125 PolarHBondContact O-N 2.81Å; L125-S128 PolarHBondContact O-N 3.41Å; L125-C129 PolarHBondContact O-N 3.48Å; L125-C129 PolarHBondContact O-SG 3.17Å
126	I	98.6	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-72.8	-37.3	178	-66	-68.3	0	0	0	112.1	I99 V122 E124 S128 C129 A130 I138 I140 A152 I155 L156	I99-I126 HydrophobicContact CD1-CD1 3.71Å; I99-I126 HydrophobicContact CD1-CG1 4.33Å; V122-I126 HydrophobicContact CG1-CG1 3.97Å; V122-I126 VanDerWaalsContact O-CB 3.31Å; V122-I126 WeakPolarHBondContact O-CB 3.47Å; V122-I126 WeakPolarHBondContact O-CG1 3.45Å; V122-I126 PolarHBondContact O-N 2.89Å; E124-I126 VanDerWaalsContact C-N 3.33Å; E124-I126 PolarHBondContact O-N 3.26Å; I126-S128 PolarHBondContact O-N 2.93Å; I126-C129 PolarHBondContact O-N 2.98Å; I126-C129 VanDerWaalsContact O-N 3.15Å; I126-A130 WeakPolarHBondContact O-CB 3.22Å; I126-A130 PolarHBondContact O-N 2.87Å; I126-I138 HydrophobicContact CD1-CD1 4.14Å; I126-I138 HydrophobicContact CD1-CG2 3.53Å; I126-I140 HydrophobicContact CD1-CD1 3.87Å; I126-I140 HydrophobicContact CG1-CD1 4.43Å; I126-A152 HydrophobicContact CB-CB 4.5Å; I126-A152 HydrophobicContact CD1-CB 3.9Å; I126-A152 HydrophobicContact CG1-CB 3.72Å; I126-A152 HydrophobicContact CG2-CB 4.21Å; I126-I155 HydrophobicContact CB-CG2 4.35Å; I126-I155 HydrophobicContact CG2-CB 3.91Å; I126-I155 HydrophobicContact CG2-CG2 3.86Å; I126-L156 HydrophobicContact CG2-CD1 4.38Å; I126-L156 HydrophobicContact CG2-CD2 4.07Å; I126-L156 HydrophobicContact CG2-CG 3.75Å
127	D	97.9	Very high	97.9	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-42.5	171.1	-179.9	86.7	0	0	0	111	A123 E124 A130 K131 I155 H159	A123-D127 VanDerWaalsContact O-CB 3.31Å; A123-D127 WeakPolarHBondContact O-CB 3.36Å; A123-D127 PolarHBondContact O-N 2.84Å; E124-D127 PolarHBondContact O-N 2.92Å; D127-A130 WeakPolarHBondContact O-CB 3.24Å; D127-A130 PolarHBondContact O-N 3.15Å; D127-K131 WeakPolarHBondContact O-CG 3.44Å; D127-K131 PolarHBondContact O-N 3.28Å; D127-K131 IonicContact OD1-NZ 2.73Å; D127-K131 WeakPolarHBondContact OD2-CE 3.35Å; D127-K131 IonicContact OD2-NZ 3.6Å; D127-K131 PolarHBondContact OD2-NZ 2.89Å; D127-I155 HydrophobicContact CB-CG2 4.07Å; D127-H159 IonicContact OD1-CD2 3.42Å; D127-H159 IonicContact OD1-CE1 3.12Å; D127-H159 PolarHBondContact OD1-CE1 2.93Å; D127-H159 IonicContact OD1-NE2 3.66Å; D127-H159 PolarHBondContact OD1-NE2 3.09Å
128	S	98.1	Very high	98.1	Very high	15 Å²	15	30.5 Å²	30.5	11%	0.105	16%	0.156	C	C	.	.	H	α-helix	trans	-69.7	-38.2	174.6	-164	0	0	0	0	113.4	L87 L91 E124 L125 I126 A130 K131 N132	L87-S128 VanDerWaalsContact CD2-CB 3.48Å; L87-S128 WeakPolarHBondContact CD2-OG 3.38Å; L87-S128 WeakPolarHBondContact CG-OG 3.34Å; L91-S128 VanDerWaalsContact CD1-OG 3.29Å; L91-S128 WeakPolarHBondContact CD1-OG 3.25Å; E124-S128 PolarHBondContact O-N 3.46Å; E124-S128 VanDerWaalsContact O-N 3.16Å; L125-S128 PolarHBondContact O-N 3.41Å; I126-S128 PolarHBondContact O-N 2.93Å; S128-A130 VanDerWaalsContact C-N 3.33Å; S128-A130 PolarHBondContact O-N 3.09Å; S128-K131 PolarHBondContact O-N 3.41Å; S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 PolarHBondContact O-N 2.84Å; S128-N132 PolarHBondContact O-ND2 3.29Å; S128-N132 PolarHBondContact OG-ND2 3.17Å; S128-N132 VanDerWaalsContact OG-ND2 3.14Å
129	C	98.7	Very high	98.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.2	-42.5	173.8	-66.9	0	0	0	0	111.6	L125 I126 K131 N132 C133 I138	L125-C129 PolarHBondContact O-N 3.48Å; L125-C129 PolarHBondContact O-SG 3.17Å; I126-C129 PolarHBondContact O-N 2.98Å; I126-C129 VanDerWaalsContact O-N 3.15Å; C129-K131 VanDerWaalsContact C-N 3.26Å; C129-K131 PolarHBondContact O-N 2.95Å; C129-N132 PolarHBondContact O-N 2.68Å; C129-C133 CarbonylContact O-C 3.03Å; C129-C133 WeakPolarHBondContact O-CA 3.21Å; C129-C133 PolarHBondContact O-N 3.49Å; C129-I138 HydrophobicContact CB-CD1 3.96Å
130	A	98.4	Very high	98.3	Very high	6 Å²	6	30.4 Å²	30.4	5%	0.05	16%	0.155	C	C	.	.	H	α-helix	trans	-59.1	-38.3	177.9	0	0	0	0	0	111.9	I126 D127 S128 P134 L156 H159 V161	I126-A130 WeakPolarHBondContact O-CB 3.22Å; I126-A130 PolarHBondContact O-N 2.87Å; D127-A130 WeakPolarHBondContact O-CB 3.24Å; D127-A130 PolarHBondContact O-N 3.15Å; S128-A130 VanDerWaalsContact C-N 3.33Å; S128-A130 PolarHBondContact O-N 3.09Å; A130-P134 WeakPolarHBondContact O-CB 3.36Å; A130-L156 HydrophobicContact CB-CD2 3.94Å; A130-H159 HydrophobicContact CB-CB 3.76Å; A130-V161 HydrophobicContact CB-CG2 3.79Å
131	K	98.1	Very high	98.4	Very high	126 Å²	126	28.1 Å²	28.1	55%	0.548	14%	0.139	S	C	.	.	H	α-helix	trans	-78.6	-39	-179.8	-68.3	167.4	-179	170.5	0	113.6	D127 S128 C129	D127-K131 WeakPolarHBondContact O-CG 3.44Å; D127-K131 PolarHBondContact O-N 3.28Å; D127-K131 IonicContact OD1-NZ 2.73Å; D127-K131 WeakPolarHBondContact OD2-CE 3.35Å; D127-K131 IonicContact OD2-NZ 3.6Å; D127-K131 PolarHBondContact OD2-NZ 2.89Å; S128-K131 PolarHBondContact O-N 3.41Å; C129-K131 VanDerWaalsContact C-N 3.26Å; C129-K131 PolarHBondContact O-N 2.95Å
132	N	98.5	Very high	98.4	Very high	51 Å²	51	26.1 Å²	26.1	27%	0.273	13%	0.129	S	C	.	.	H	α-helix	trans	-110.2	-21.4	-164.9	-61.7	-70.6	0	0	0	114.6	A88 L91 S128 C129	A88-N132 WeakPolarHBondContact CB-OD1 3.45Å; L91-N132 HydrophobicContact CB-CB 3.77Å; L91-N132 HydrophobicContact CD1-CB 4.36Å; S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 PolarHBondContact O-N 2.84Å; S128-N132 PolarHBondContact O-ND2 3.29Å; S128-N132 PolarHBondContact OG-ND2 3.17Å; S128-N132 VanDerWaalsContact OG-ND2 3.14Å; C129-N132 PolarHBondContact O-N 2.68Å
133	C	98.5	Very high	98.2	Very high	8 Å²	8	29.5 Å²	29.5	5%	0.054	15%	0.147	C	C	.	.			trans	-149.9	55.5	178.4	63.5	0	0	0	0	112.5	L91 A94 C129 K135 A136	L91-C133 HydrophobicContact CB-CB 4.47Å; L91-C133 WeakPolarHBondContact O-CB 3.48Å; A94-C133 HydrophobicContact CB-CB 4.38Å; C129-C133 CarbonylContact O-C 3.03Å; C129-C133 WeakPolarHBondContact O-CA 3.21Å; C129-C133 PolarHBondContact O-N 3.49Å; C133-K135 PolarHBondContact O-N 3.31Å; C133-A136 HydrophobicContact CB-CB 4.07Å; C133-A136 WeakPolarHBondContact O-CB 3.49Å; C133-A136 PolarHBondContact O-N 3.02Å
134	P	98.4	Very high	98.1	Very high	54 Å²	54	31 Å²	31	35%	0.351	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.3	-172.2	23.2	-34.7	0	0	0	114.9	A130 V161	A130-P134 WeakPolarHBondContact O-CB 3.36Å; P134-V161 HydrophobicContact CB-CB 3.77Å; P134-V161 HydrophobicContact CB-CG1 3.79Å; P134-V161 HydrophobicContact CB-CG2 4.13Å
135	K	98	Very high	98.2	Very high	170 Å²	170	27.3 Å²	27.3	74%	0.739	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-0.1	178.4	-62.4	-172.3	177	-175.7	0	114	C133 R166	C133-K135 PolarHBondContact O-N 3.31Å; K135-R166 PolarHBondContact O-NH1 2.86Å
136	A	98.6	Very high	98.2	Very high	2 Å²	2	27 Å²	27	2%	0.017	14%	0.138	C	C	.	.	S	Bend	trans	-68.2	151.9	179.7	0	0	0	0	0	111.8	A94 N95 V97 C133 I138	A94-A136 WeakPolarHBondContact O-CB 3.37Å; N95-A136 WeakPolarHBondContact O-CA 3.3Å; V97-A136 HydrophobicContact CG2-CB 3.86Å; C133-A136 HydrophobicContact CB-CB 4.07Å; C133-A136 WeakPolarHBondContact O-CB 3.49Å; C133-A136 PolarHBondContact O-N 3.02Å; A136-I138 PolarHBondContact O-N 2.99Å
137	M	98.7	Very high	98.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	112.1	165.1	-55.4	-58.7	174.4	0	0	108.9	N95 V96 V97 R166 F168 L263 M267 G299	N95-M137 PolarHBondContact O-N 3.44Å; V96-M137 CarbonylContact C-O 3.57Å; V96-M137 WeakPolarHBondContact CA-O 3.2Å; V96-M137 HydrophobicContact CG1-CB 4.46Å; V96-M137 HydrophobicContact CG2-CB 4.25Å; V97-M137 PolarHBondContact N-O 2.99Å; M137-R166 CarbonylContact C-O 3.16Å; M137-R166 HydrophobicContact CE-CG 4.32Å; M137-R166 VanDerWaalsContact CE-NH1 3.28Å; M137-R166 HydrophobicContact SD-CB 3.91Å; M137-R166 HydrophobicContact SD-CG 3.68Å; M137-F168 HydrophobicContact CB-CE2 4.12Å; M137-F168 HydrophobicContact SD-CE2 3.99Å; M137-F168 HydrophobicContact SD-CZ 4.45Å; M137-L263 HydrophobicContact CB-CD1 4.1Å; M137-L263 HydrophobicContact CG-CD2 4.45Å; M137-M267 HydrophobicContact CE-CG 4.47Å; M137-M267 HydrophobicContact CE-SD 4.41Å; M137-M267 HydrophobicContact CG-SD 4.05Å; M137-G299 VanDerWaalsContact CE-CA 3.47Å
138	I	98.9	Very high	98.2	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.5	-176.8	-62	174.7	0	0	0	109.5	I99 I126 C129 A136 I140 L156 R166 L167 F168	I99-I138 HydrophobicContact CD1-CG2 4.22Å; I126-I138 HydrophobicContact CD1-CD1 4.14Å; I126-I138 HydrophobicContact CD1-CG2 3.53Å; C129-I138 HydrophobicContact CB-CD1 3.96Å; A136-I138 PolarHBondContact O-N 2.99Å; I138-I140 HydrophobicContact CG2-CD1 3.76Å; I138-I140 HydrophobicContact CG2-CG1 4.4Å; I138-L156 HydrophobicContact CD1-CD1 4.14Å; I138-L156 HydrophobicContact CD1-CD2 4.13Å; I138-R166 PolarHBondContact N-O 3.31Å; I138-L167 HydrophobicContact CB-CD1 4.01Å; I138-L167 HydrophobicContact CG2-CD1 3.75Å; I138-F168 PolarHBondContact O-N 3.27Å
139	C	98.9	Very high	98.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	102.4	-178	-57.1	0	0	0	0	110.4	V97 I98 I99 F168 V170 L263	V97-C139 PolarHBondContact O-N 3.29Å; I98-C139 HydrophobicContact CB-CB 4.45Å; I98-C139 HydrophobicContact CG1-CB 4.28Å; I98-C139 HydrophobicContact CG2-CB 4.23Å; I99-C139 PolarHBondContact N-O 2.92Å; C139-F168 CarbonylContact C-O 3.59Å; C139-F168 WeakPolarHBondContact CA-O 3.11Å; C139-V170 HydrophobicContact CB-CG2 3.76Å; C139-L263 WeakPolarHBondContact SG-CD1 3.34Å
140	I	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.2	178.4	-52	-58.9	0	0	0	109.9	I99 V122 I126 I138 T148 V149 A152 L167 F168 V170	I99-I140 HydrophobicContact CB-CD1 4.31Å; I99-I140 HydrophobicContact CD1-CD1 3.8Å; I99-I140 HydrophobicContact CG1-CD1 4.31Å; V122-I140 HydrophobicContact CG1-CD1 4.47Å; I126-I140 HydrophobicContact CD1-CD1 3.87Å; I126-I140 HydrophobicContact CG1-CD1 4.43Å; I138-I140 HydrophobicContact CG2-CD1 3.76Å; I138-I140 HydrophobicContact CG2-CG1 4.4Å; I140-T148 WeakPolarHBondContact CG2-OG1 3.46Å; I140-V149 HydrophobicContact CB-CG2 3.95Å; I140-V149 HydrophobicContact CG1-CG2 4.11Å; I140-V149 HydrophobicContact CG2-CG2 4.32Å; I140-A152 HydrophobicContact CD1-CB 4.29Å; I140-A152 HydrophobicContact CG1-CB 4.42Å; I140-L167 HydrophobicContact CD1-CD1 4.47Å; I140-L167 HydrophobicContact CG1-CD1 4.03Å; I140-F168 PolarHBondContact N-O 3.47Å; I140-V170 PolarHBondContact O-N 3Å
141	I	98.5	Very high	98.2	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	13%	0.127	C	C	.	.			trans	-101.6	-24.4	168.3	-64.5	174	0	0	0	110.2	I37 I98 I99 P100 N143 V170 M252	I37-I141 HydrophobicContact CD1-CG2 4.17Å; I98-I141 HydrophobicContact CG2-CD1 3.54Å; I98-I141 HydrophobicContact CG2-CG1 4.23Å; I99-I141 WeakPolarHBondContact O-CA 3.2Å; I99-I141 WeakPolarHBondContact O-CB 3.47Å; I99-I141 PolarHBondContact O-N 2.99Å; P100-I141 HydrophobicContact CB-CB 4.42Å; P100-I141 HydrophobicContact CB-CD1 4.47Å; P100-I141 HydrophobicContact CB-CG2 4.4Å; I141-N143 PolarHBondContact O-N 3.08Å; I141-N143 VanDerWaalsContact O-N 3.15Å; I141-V170 HydrophobicContact CG1-CB 3.86Å; I141-V170 HydrophobicContact CG1-CG1 4.3Å; I141-V170 HydrophobicContact CG1-CG2 3.83Å; I141-M252 HydrophobicContact CD1-CE 4.16Å; I141-M252 HydrophobicContact CG1-CE 4.08Å; I141-M252 HydrophobicContact CG2-CE 3.92Å; I141-M252 HydrophobicContact CG2-CG 3.86Å; I141-M252 HydrophobicContact CG2-SD 4.16Å
142	T	97.8	Very high	98.3	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	10%	0.101	C	C	.	.	S	Bend	trans	-52.9	119.8	-177.8	-49.3	0	0	0	0	112.4	I99 A101 N118 V122 T148	I99-T142 PolarHBondContact O-N 3.23Å; I99-T142 VanDerWaalsContact O-N 3.08Å; I99-T142 PolarHBondContact O-OG1 3.35Å; I99-T142 VanDerWaalsContact O-OG1 3.09Å; A101-T142 WeakPolarHBondContact O-CB 3.49Å; A101-T142 WeakPolarHBondContact O-CG2 3.47Å; A101-T142 PolarHBondContact O-OG1 3.5Å; N118-T142 HydrophobicContact CB-CG2 3.81Å; V122-T142 HydrophobicContact CG2-CG2 3.56Å; T142-T148 HydrophobicContact CG2-CG2 4.4Å; T142-T148 PolarHBondContact O-OG1 3.32Å
143	N	95.3	Very high	98.3	Very high	71 Å²	71	16.9 Å²	16.9	38%	0.38	9%	0.088	S	C	.	.	S	Bend	trans	-77.7	148.1	177.2	-85.5	-57.2	0	0	0	112.4	N118 I141	N118-N143 VanDerWaalsContact CB-O 3.31Å; N118-N143 WeakPolarHBondContact CB-O 3.26Å; N118-N143 PolarHBondContact ND2-O 3.25Å; I141-N143 PolarHBondContact O-N 3.08Å; I141-N143 VanDerWaalsContact O-N 3.15Å
144	P	96.1	Very high	98.3	Very high	33 Å²	33	18.5 Å²	18.5	21%	0.214	10%	0.095	C	C	.	.	P	Polyproline II helix	cis	-84.2	119.6	-2.7	30.8	-31.3	0	0	0	112.3	F115 N146 S147 T148	F115-P144 HydrophobicContact CD2-CG 3.8Å; P144-N146 PolarHBondContact O-N 3.49Å; P144-N146 VanDerWaalsContact O-N 3.17Å; P144-S147 PolarHBondContact O-N 3.37Å; P144-T148 PolarHBondContact O-N 3.43Å; P144-T148 PolarHBondContact O-OG1 2.97Å; P144-T148 VanDerWaalsContact O-OG1 3.13Å
145	V	98.1	Very high	98.3	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-54	-39.1	-176.1	173.1	0	0	0	0	112.7	S147 T148 V149 H201 F278	V145-S147 PolarHBondContact O-N 2.88Å; V145-T148 VanDerWaalsContact CA-OG1 3.29Å; V145-T148 WeakPolarHBondContact CA-OG1 3.15Å; V145-T148 PolarHBondContact O-N 2.9Å; V145-V149 HydrophobicContact CG1-CG2 3.89Å; V145-V149 PolarHBondContact O-N 3.48Å; V145-H201 HydrophobicContact CB-CB 3.98Å; V145-H201 HydrophobicContact CG1-CB 4.38Å; V145-F278 HydrophobicContact CG1-CB 4.26Å; V145-F278 HydrophobicContact CG1-CD1 4.29Å
146	N	98.5	Very high	98.3	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-58.2	-17.6	178	-64.4	2.7	0	0	0	114.1	P144 P150 G200 H201 T205 L324 N327	P144-N146 PolarHBondContact O-N 3.49Å; P144-N146 VanDerWaalsContact O-N 3.17Å; N146-P150 WeakPolarHBondContact O-CG 3.31Å; N146-G200 WeakPolarHBondContact OD1-CA 3.32Å; N146-H201 PolarHBondContact OD1-N 2.92Å; N146-T205 PolarHBondContact ND2-OG1 3.41Å; N146-L324 HydrophobicContact CB-CD1 3.99Å; N146-N327 HydrophobicContact CB-CB 3.67Å
147	S	98.5	Very high	98.3	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-119.9	-31.1	178.6	-54.3	0	0	0	0	113	P144 V145 P150 I151 N327	P144-S147 PolarHBondContact O-N 3.37Å; V145-S147 PolarHBondContact O-N 2.88Å; S147-P150 WeakPolarHBondContact O-CD 3.43Å; S147-I151 WeakPolarHBondContact O-CD1 3.46Å; S147-I151 VanDerWaalsContact O-CG1 3.29Å; S147-I151 WeakPolarHBondContact O-CG1 3.29Å; S147-I151 PolarHBondContact O-N 3.25Å; S147-I151 VanDerWaalsContact O-N 3.1Å; S147-N327 WeakPolarHBondContact CB-O 3.49Å; S147-N327 PolarHBondContact OG-O 2.93Å
148	T	98.5	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-71.7	-30.4	179.1	53.3	0	0	0	0	112.9	V122 I140 T142 P144 V145 I151 A152	V122-T148 HydrophobicContact CG2-CG2 3.95Å; I140-T148 WeakPolarHBondContact CG2-OG1 3.46Å; T142-T148 HydrophobicContact CG2-CG2 4.4Å; T142-T148 PolarHBondContact O-OG1 3.32Å; P144-T148 PolarHBondContact O-N 3.43Å; P144-T148 PolarHBondContact O-OG1 2.97Å; P144-T148 VanDerWaalsContact O-OG1 3.13Å; V145-T148 VanDerWaalsContact CA-OG1 3.29Å; V145-T148 WeakPolarHBondContact CA-OG1 3.15Å; V145-T148 PolarHBondContact O-N 2.9Å; T148-I151 PolarHBondContact O-N 3.06Å; T148-A152 WeakPolarHBondContact O-CB 3.28Å; T148-A152 PolarHBondContact O-N 3.37Å
149	V	98.8	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-48.9	172.3	172.1	0	0	0	0	111.8	I140 V145 I151 A152 A153 L167 G169 F278 F288	I140-V149 HydrophobicContact CB-CG2 3.95Å; I140-V149 HydrophobicContact CG1-CG2 4.11Å; I140-V149 HydrophobicContact CG2-CG2 4.32Å; V145-V149 HydrophobicContact CG1-CG2 3.89Å; V145-V149 PolarHBondContact O-N 3.48Å; V149-I151 VanDerWaalsContact C-N 3.27Å; V149-I151 PolarHBondContact O-N 3.39Å; V149-A152 WeakPolarHBondContact O-CB 3.46Å; V149-A152 PolarHBondContact O-N 3Å; V149-A152 VanDerWaalsContact O-N 3.1Å; V149-A153 PolarHBondContact O-N 3.38Å; V149-L167 HydrophobicContact CG1-CD2 4.12Å; V149-L167 HydrophobicContact CG1-CG 4.27Å; V149-G169 VanDerWaalsContact CG2-CA 3.43Å; V149-F278 HydrophobicContact CB-CD1 3.9Å; V149-F278 HydrophobicContact CB-CE1 4.2Å; V149-F278 HydrophobicContact CG1-CD1 4.05Å; V149-F278 HydrophobicContact CG1-CE1 4.42Å; V149-F278 HydrophobicContact CG2-CD1 4.1Å; V149-F288 HydrophobicContact CG1-CD1 3.72Å; V149-F288 HydrophobicContact CG1-CE1 3.88Å
150	P	98.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-40.6	170	-28.6	31.6	0	0	0	113.6	N146 S147 A153 E154 F288 I328 K332	N146-P150 WeakPolarHBondContact O-CG 3.31Å; S147-P150 WeakPolarHBondContact O-CD 3.43Å; P150-A153 PolarHBondContact O-N 2.93Å; P150-E154 WeakPolarHBondContact O-CG 3.46Å; P150-E154 PolarHBondContact O-N 3.42Å; P150-F288 HydrophobicContact CB-CD2 4.31Å; P150-F288 HydrophobicContact CB-CE2 4.08Å; P150-F288 HydrophobicContact CG-CD2 3.84Å; P150-F288 HydrophobicContact CG-CE2 4.1Å; P150-F288 HydrophobicContact CG-CG 4.23Å; P150-I328 HydrophobicContact CB-CG2 4.38Å; P150-I328 HydrophobicContact CG-CB 4.25Å; P150-I328 HydrophobicContact CG-CG1 4.06Å; P150-I328 HydrophobicContact CG-CG2 4.09Å; P150-K332 HydrophobicContact CB-CG 4.1Å
151	I	98.8	Very high	98.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.7	-50.7	173.9	-69.5	161.8	0	0	0	110.4	F115 A119 V122 A123 S147 T148 V149 A153 E154 I155 G331 F334 A335	F115-I151 HydrophobicContact CE2-CD1 4.28Å; F115-I151 HydrophobicContact CZ-CD1 4.26Å; A119-I151 HydrophobicContact CB-CD1 3.52Å; V122-I151 HydrophobicContact CG1-CG2 4.44Å; A123-I151 HydrophobicContact CB-CG2 4Å; S147-I151 WeakPolarHBondContact O-CD1 3.46Å; S147-I151 VanDerWaalsContact O-CG1 3.29Å; S147-I151 WeakPolarHBondContact O-CG1 3.29Å; S147-I151 PolarHBondContact O-N 3.25Å; S147-I151 VanDerWaalsContact O-N 3.1Å; T148-I151 PolarHBondContact O-N 3.06Å; V149-I151 VanDerWaalsContact C-N 3.27Å; V149-I151 PolarHBondContact O-N 3.39Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 2.83Å; I151-E154 PolarHBondContact O-N 2.82Å; I151-I155 HydrophobicContact CG2-CG1 4.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.13Å; I151-I155 PolarHBondContact O-N 2.83Å; I151-G331 WeakPolarHBondContact CG1-O 3.47Å; I151-F334 HydrophobicContact CD1-CB 4.29Å; I151-F334 HydrophobicContact CD1-CD1 3.81Å; I151-F334 HydrophobicContact CD1-CG 4.21Å; I151-F334 HydrophobicContact CG1-CB 4.45Å; I151-F334 HydrophobicContact CG1-CD1 4.06Å; I151-F334 HydrophobicContact CG2-CD1 4.39Å; I151-A335 HydrophobicContact CG1-CB 4.48Å
152	A	98.8	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.2	-43.5	-179.9	0	0	0	0	0	112	V122 I126 I140 T148 V149 I155 L156 L167	V122-A152 HydrophobicContact CG1-CB 4.39Å; I126-A152 HydrophobicContact CB-CB 4.5Å; I126-A152 HydrophobicContact CD1-CB 3.9Å; I126-A152 HydrophobicContact CG1-CB 3.72Å; I126-A152 HydrophobicContact CG2-CB 4.21Å; I140-A152 HydrophobicContact CD1-CB 4.29Å; I140-A152 HydrophobicContact CG1-CB 4.42Å; T148-A152 WeakPolarHBondContact O-CB 3.28Å; T148-A152 PolarHBondContact O-N 3.37Å; V149-A152 WeakPolarHBondContact O-CB 3.46Å; V149-A152 PolarHBondContact O-N 3Å; V149-A152 VanDerWaalsContact O-N 3.1Å; A152-I155 PolarHBondContact O-N 3.37Å; A152-L156 WeakPolarHBondContact O-CB 3.21Å; A152-L156 WeakPolarHBondContact O-CD1 3.48Å; A152-L156 VanDerWaalsContact O-CG 3.25Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.77Å; A152-L167 HydrophobicContact CB-CD1 3.8Å; A152-L167 HydrophobicContact CB-CD2 3.98Å
153	A	98.8	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-47.4	177.3	0	0	0	0	0	112	V149 P150 I151 I155 L156 K157 Y162 L167 F288	V149-A153 PolarHBondContact O-N 3.38Å; P150-A153 PolarHBondContact O-N 2.93Å; I151-A153 VanDerWaalsContact C-N 3.31Å; I151-A153 PolarHBondContact O-N 2.83Å; A153-I155 PolarHBondContact O-N 3.17Å; A153-L156 PolarHBondContact O-N 3.44Å; A153-K157 WeakPolarHBondContact O-CB 3.39Å; A153-K157 VanDerWaalsContact O-CG 3.24Å; A153-K157 WeakPolarHBondContact O-CG 3.41Å; A153-K157 PolarHBondContact O-N 2.91Å; A153-Y162 HydrophobicContact CB-CD2 4.28Å; A153-Y162 HydrophobicContact CB-CE2 3.67Å; A153-L167 HydrophobicContact CB-CD2 3.74Å; A153-F288 HydrophobicContact CB-CE1 3.96Å; A153-F288 HydrophobicContact CB-CZ 3.5Å
154	E	98.6	Very high	98.3	Very high	43 Å²	43	32.8 Å²	32.8	20%	0.201	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-39	179.2	-68.1	-57	138.6	0	0	112.5	P150 I151 K157 R158 K332 A335	P150-E154 WeakPolarHBondContact O-CG 3.46Å; P150-E154 PolarHBondContact O-N 3.42Å; I151-E154 PolarHBondContact O-N 2.82Å; E154-K157 PolarHBondContact O-N 3.39Å; E154-K157 IonicContact OE1-NZ 2.91Å; E154-R158 WeakPolarHBondContact O-CG 3.29Å; E154-R158 PolarHBondContact O-N 3.42Å; E154-R158 VanDerWaalsContact O-N 3.08Å; E154-K332 HydrophobicContact CG-CB 4.42Å; E154-K332 HydrophobicContact CG-CG 4.05Å; E154-K332 VanDerWaalsContact OE1-CE 3.31Å; E154-K332 WeakPolarHBondContact OE1-CE 3.49Å; E154-A335 HydrophobicContact CB-CB 3.5Å; E154-A335 HydrophobicContact CG-CB 4.04Å
155	I	98.4	Very high	98.4	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-44.5	174.9	-61.3	-57.4	0	0	0	111	A123 I126 D127 I151 A152 A153 K157 R158 H159 Y338	A123-I155 HydrophobicContact CB-CD1 4.38Å; A123-I155 HydrophobicContact CB-CG1 4.21Å; I126-I155 HydrophobicContact CB-CG2 4.35Å; I126-I155 HydrophobicContact CG2-CB 3.91Å; I126-I155 HydrophobicContact CG2-CG2 3.86Å; D127-I155 HydrophobicContact CB-CG2 4.07Å; I151-I155 HydrophobicContact CG2-CG1 4.31Å; I151-I155 WeakPolarHBondContact O-CG1 3.13Å; I151-I155 PolarHBondContact O-N 2.83Å; A152-I155 PolarHBondContact O-N 3.37Å; A153-I155 PolarHBondContact O-N 3.17Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.06Å; I155-R158 WeakPolarHBondContact O-CB 3.22Å; I155-R158 PolarHBondContact O-N 3.08Å; I155-H159 PolarHBondContact O-CD2 3.08Å; I155-H159 PolarHBondContact O-N 3.38Å; I155-Y338 HydrophobicContact CD1-CD1 3.66Å; I155-Y338 HydrophobicContact CD1-CE1 4.24Å; I155-Y338 HydrophobicContact CD1-CG 4.45Å
156	L	98.6	Very high	98.4	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.031	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-38	175.5	-69	164.4	0	0	0	112.3	I126 A130 I138 A152 A153 R158 H159 N160 V161 Y162 L167	I126-L156 HydrophobicContact CG2-CD1 4.38Å; I126-L156 HydrophobicContact CG2-CD2 4.07Å; I126-L156 HydrophobicContact CG2-CG 3.75Å; A130-L156 HydrophobicContact CB-CD2 3.94Å; I138-L156 HydrophobicContact CD1-CD1 4.14Å; I138-L156 HydrophobicContact CD1-CD2 4.13Å; A152-L156 WeakPolarHBondContact O-CB 3.21Å; A152-L156 WeakPolarHBondContact O-CD1 3.48Å; A152-L156 VanDerWaalsContact O-CG 3.25Å; A152-L156 WeakPolarHBondContact O-CG 3.43Å; A152-L156 PolarHBondContact O-N 2.77Å; A153-L156 PolarHBondContact O-N 3.44Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 2.83Å; L156-H159 PolarHBondContact O-N 3.39Å; L156-N160 PolarHBondContact O-N 2.97Å; L156-V161 HydrophobicContact CD2-CG2 4.02Å; L156-V161 PolarHBondContact O-N 2.94Å; L156-Y162 HydrophobicContact CB-CD2 3.84Å; L156-Y162 HydrophobicContact CB-CG 4.33Å; L156-Y162 HydrophobicContact CD1-CD2 3.98Å; L156-Y162 PolarHBondContact O-N 3.4Å; L156-L167 HydrophobicContact CD1-CD1 4.44Å; L156-L167 HydrophobicContact CD1-CD2 4.27Å
157	K	98.4	Very high	98.5	Very high	73 Å²	73	37.7 Å²	37.7	32%	0.317	18%	0.18	S	C	.	.	H	α-helix	trans	-61.8	-40.6	176.2	-75.9	170.7	-173.8	175.5	0	111	A153 E154 I155 H159 N160 Y162 E280	A153-K157 WeakPolarHBondContact O-CB 3.39Å; A153-K157 VanDerWaalsContact O-CG 3.24Å; A153-K157 WeakPolarHBondContact O-CG 3.41Å; A153-K157 PolarHBondContact O-N 2.91Å; E154-K157 PolarHBondContact O-N 3.39Å; E154-K157 IonicContact OE1-NZ 2.91Å; I155-K157 VanDerWaalsContact C-N 3.32Å; I155-K157 PolarHBondContact O-N 3.06Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.42Å; K157-N160 PolarHBondContact O-N 3.41Å; K157-Y162 HydrophobicContact CD-CD1 4.16Å; K157-Y162 HydrophobicContact CD-CG 4.49Å; K157-Y162 HydrophobicContact CG-CD1 3.74Å; K157-Y162 HydrophobicContact CG-CG 3.71Å; K157-E280 IonicContact NZ-OE2 3.69Å; K157-E280 PolarHBondContact NZ-OE2 3.42Å
158	R	97	Very high	98.5	Very high	118 Å²	118	37.6 Å²	37.6	45%	0.445	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-32.3	175.6	-71.3	166.7	175.3	-161.6	-14.1	113.8	E154 I155 L156 N160 A335 A336 Y338	E154-R158 WeakPolarHBondContact O-CG 3.29Å; E154-R158 PolarHBondContact O-N 3.42Å; E154-R158 VanDerWaalsContact O-N 3.08Å; I155-R158 WeakPolarHBondContact O-CB 3.22Å; I155-R158 PolarHBondContact O-N 3.08Å; L156-R158 VanDerWaalsContact C-N 3.34Å; L156-R158 PolarHBondContact O-N 2.83Å; R158-N160 VanDerWaalsContact C-N 3.29Å; R158-A335 PolarHBondContact NH1-O 2.89Å; R158-A335 PolarHBondContact NH2-O 2.92Å; R158-A336 VanDerWaalsContact NH2-CA 3.26Å; R158-A336 PolarHBondContact NH2-O 3.09Å; R158-A336 VanDerWaalsContact NH2-O 3.08Å; R158-Y338 PolarHBondContact NH1-O 3.37Å
159	H	97.4	Very high	98.5	Very high	65 Å²	65	37.6 Å²	37.6	30%	0.301	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	0	174.8	-75.5	-76.2	0	0	0	113.3	D127 A130 I155 L156 K157 V161	D127-H159 IonicContact OD1-CD2 3.42Å; D127-H159 IonicContact OD1-CE1 3.12Å; D127-H159 PolarHBondContact OD1-CE1 2.93Å; D127-H159 IonicContact OD1-NE2 3.66Å; D127-H159 PolarHBondContact OD1-NE2 3.09Å; A130-H159 HydrophobicContact CB-CB 3.76Å; I155-H159 PolarHBondContact O-CD2 3.08Å; I155-H159 PolarHBondContact O-N 3.38Å; L156-H159 PolarHBondContact O-N 3.39Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-N 3.42Å; H159-V161 HydrophobicContact CB-CG2 3.78Å; H159-V161 PolarHBondContact O-N 2.85Å
160	N	98.2	Very high	98.5	Very high	154 Å²	154	37.7 Å²	37.7	82%	0.824	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	34.3	-176.9	-163	51.6	0	0	0	113.6	L156 K157 R158	L156-N160 PolarHBondContact O-N 2.97Å; K157-N160 PolarHBondContact O-N 3.41Å; R158-N160 VanDerWaalsContact C-N 3.29Å
161	V	98.5	Very high	98.5	Very high	45 Å²	45	37.7 Å²	37.7	27%	0.273	18%	0.18	S	C	.	.			trans	-125.6	11.9	179.9	-63.9	0	0	0	0	112.8	A130 P134 L156 H159 D163	A130-V161 HydrophobicContact CB-CG2 3.79Å; P134-V161 HydrophobicContact CB-CB 3.77Å; P134-V161 HydrophobicContact CB-CG1 3.79Å; P134-V161 HydrophobicContact CB-CG2 4.13Å; L156-V161 HydrophobicContact CD2-CG2 4.02Å; L156-V161 PolarHBondContact O-N 2.94Å; H159-V161 HydrophobicContact CB-CG2 3.78Å; H159-V161 PolarHBondContact O-N 2.85Å; V161-D163 PolarHBondContact O-N 2.93Å
162	Y	98.7	Very high	98.5	Very high	40 Å²	40	37.7 Å²	37.7	16%	0.157	18%	0.18	C	C	.	.			trans	-68.1	120.4	179.4	-178.2	-116.2	0	0	0	111.8	A153 L156 K157 P164 L167 E280	A153-Y162 HydrophobicContact CB-CD2 4.28Å; A153-Y162 HydrophobicContact CB-CE2 3.67Å; L156-Y162 HydrophobicContact CB-CD2 3.84Å; L156-Y162 HydrophobicContact CB-CG 4.33Å; L156-Y162 HydrophobicContact CD1-CD2 3.98Å; L156-Y162 PolarHBondContact O-N 3.4Å; K157-Y162 HydrophobicContact CD-CD1 4.16Å; K157-Y162 HydrophobicContact CD-CG 4.49Å; K157-Y162 HydrophobicContact CG-CD1 3.74Å; K157-Y162 HydrophobicContact CG-CG 3.71Å; Y162-P164 HydrophobicContact CE1-CB 3.9Å; Y162-P164 HydrophobicContact CE1-CG 4.34Å; Y162-P164 WeakPolarHBondContact OH-CA 3.4Å; Y162-P164 WeakPolarHBondContact OH-CB 3.46Å; Y162-L167 HydrophobicContact CE2-CB 4.35Å; Y162-L167 HydrophobicContact CE2-CD2 3.92Å; Y162-E280 VanDerWaalsContact CE1-OE2 3.22Å; Y162-E280 WeakPolarHBondContact CE1-OE2 3.46Å; Y162-E280 WeakPolarHBondContact OH-CB 3.49Å; Y162-E280 PolarHBondContact OH-OE2 2.85Å
163	D	98.6	Very high	98.5	Very high	55 Å²	55	38 Å²	38	29%	0.294	18%	0.181	S	C	.	.			trans	-119.5	110.4	167.9	-178.2	-9.1	0	0	0	108.3	V161 K165 R166	V161-D163 PolarHBondContact O-N 2.93Å; D163-K165 PolarHBondContact O-N 3.25Å; D163-K165 VanDerWaalsContact O-N 3.08Å; D163-K165 VanDerWaalsContact OD1-CB 3.32Å; D163-K165 WeakPolarHBondContact OD1-CB 3.29Å; D163-K165 PolarHBondContact OD1-N 3.28Å; D163-R166 HydrophobicContact CB-CB 4.39Å; D163-R166 HydrophobicContact CB-CG 4.18Å; D163-R166 PolarHBondContact O-N 3.36Å; D163-R166 WeakPolarHBondContact OD2-CD 3.44Å; D163-R166 WeakPolarHBondContact OD2-CG 3.49Å; D163-R166 IonicContact OD2-NE 3.47Å; D163-R166 PolarHBondContact OD2-NE 2.82Å; D163-R166 VanDerWaalsContact OD2-NE 3.12Å
164	P	98.3	Very high	98.5	Very high	51 Å²	51	38 Å²	38	33%	0.331	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.5	-177.9	25.5	-34.2	0	0	0	113	Y162 R166 E280	Y162-P164 HydrophobicContact CE1-CB 3.9Å; Y162-P164 HydrophobicContact CE1-CG 4.34Å; Y162-P164 WeakPolarHBondContact OH-CA 3.4Å; Y162-P164 WeakPolarHBondContact OH-CB 3.46Å; P164-R166 VanDerWaalsContact C-N 3.25Å; P164-R166 PolarHBondContact O-N 3.45Å; P164-E280 HydrophobicContact CB-CB 4.08Å
165	K	98.6	Very high	98.5	Very high	107 Å²	107	36.1 Å²	36.1	47%	0.465	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-12.3	177.3	-60.8	-178.2	175	-173.6	0	113.4	D163 F168 G299 V300	D163-K165 PolarHBondContact O-N 3.25Å; D163-K165 VanDerWaalsContact O-N 3.08Å; D163-K165 VanDerWaalsContact OD1-CB 3.32Å; D163-K165 WeakPolarHBondContact OD1-CB 3.29Å; D163-K165 PolarHBondContact OD1-N 3.28Å; K165-F168 WeakPolarHBondContact O-CZ 3.33Å; K165-G299 CarbonylContact O-C 3.59Å; K165-G299 VanDerWaalsContact O-CA 3.3Å; K165-G299 WeakPolarHBondContact O-CA 3.24Å; K165-V300 HydrophobicContact CB-CB 4.29Å; K165-V300 WeakPolarHBondContact CD-O 3.28Å; K165-V300 HydrophobicContact CG-CB 4.47Å; K165-V300 PolarHBondContact O-N 3.45Å
166	R	98.7	Very high	98.5	Very high	27 Å²	27	37 Å²	37	10%	0.102	18%	0.178	C	C	.	.	S	Bend	trans	-118.1	-0	-169.8	-59.1	-173.9	178.9	-99.7	-10.8	114.8	K135 M137 I138 D163 P164 E298	K135-R166 PolarHBondContact O-NH1 2.86Å; M137-R166 CarbonylContact C-O 3.16Å; M137-R166 HydrophobicContact CE-CG 4.32Å; M137-R166 VanDerWaalsContact CE-NH1 3.28Å; M137-R166 HydrophobicContact SD-CB 3.91Å; M137-R166 HydrophobicContact SD-CG 3.68Å; I138-R166 PolarHBondContact N-O 3.31Å; D163-R166 HydrophobicContact CB-CB 4.39Å; D163-R166 HydrophobicContact CB-CG 4.18Å; D163-R166 PolarHBondContact O-N 3.36Å; D163-R166 WeakPolarHBondContact OD2-CD 3.44Å; D163-R166 WeakPolarHBondContact OD2-CG 3.49Å; D163-R166 IonicContact OD2-NE 3.47Å; D163-R166 PolarHBondContact OD2-NE 2.82Å; D163-R166 VanDerWaalsContact OD2-NE 3.12Å; P164-R166 VanDerWaalsContact C-N 3.25Å; P164-R166 PolarHBondContact O-N 3.45Å; R166-E298 IonicContact CZ-OE2 2.92Å; R166-E298 IonicContact NH2-OE1 3.69Å; R166-E298 IonicContact NH2-OE2 3.98Å; R166-E298 PolarHBondContact NH2-OE2 3.43Å
167	L	98.9	Very high	98.5	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121	177.3	178.2	65.8	0	0	0	110.4	I138 I140 V149 A152 A153 L156 Y162	I138-L167 HydrophobicContact CB-CD1 4.01Å; I138-L167 HydrophobicContact CG2-CD1 3.75Å; I140-L167 HydrophobicContact CD1-CD1 4.47Å; I140-L167 HydrophobicContact CG1-CD1 4.03Å; V149-L167 HydrophobicContact CG1-CD2 4.12Å; V149-L167 HydrophobicContact CG1-CG 4.27Å; A152-L167 HydrophobicContact CB-CD1 3.8Å; A152-L167 HydrophobicContact CB-CD2 3.98Å; A153-L167 HydrophobicContact CB-CD2 3.74Å; L156-L167 HydrophobicContact CD1-CD1 4.44Å; L156-L167 HydrophobicContact CD1-CD2 4.27Å; Y162-L167 HydrophobicContact CE2-CB 4.35Å; Y162-L167 HydrophobicContact CE2-CD2 3.92Å
168	F	98.9	Very high	98.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	127.8	-173.6	-53	-89.1	0	0	0	111.4	M137 I138 C139 I140 K165 F259 L263 A277 V279 L295 V300	M137-F168 HydrophobicContact CB-CE2 4.12Å; M137-F168 HydrophobicContact SD-CE2 3.99Å; M137-F168 HydrophobicContact SD-CZ 4.45Å; I138-F168 PolarHBondContact O-N 3.27Å; C139-F168 CarbonylContact C-O 3.59Å; C139-F168 WeakPolarHBondContact CA-O 3.11Å; I140-F168 PolarHBondContact N-O 3.47Å; K165-F168 WeakPolarHBondContact O-CZ 3.33Å; F168-F259 HydrophobicContact CB-CE1 3.64Å; F168-F259 HydrophobicContact CB-CZ 3.76Å; F168-F259 HydrophobicContact CD1-CE1 4.21Å; F168-F259 AromaticContact CD1-CZ 3.64Å; F168-F259 HydrophobicContact CD1-CZ 3.64Å; F168-F259 HydrophobicContact CD2-CE1 4.34Å; F168-F259 HydrophobicContact CE1-CZ 4.32Å; F168-F259 AromaticContact CG-CE1 3.83Å; F168-F259 HydrophobicContact CG-CE1 3.83Å; F168-F259 AromaticContact CG-CZ 3.75Å; F168-F259 HydrophobicContact CG-CZ 3.75Å; F168-L263 HydrophobicContact CD2-CD1 4.37Å; F168-L263 HydrophobicContact CE1-CD2 4.39Å; F168-L263 HydrophobicContact CE2-CD1 4.33Å; F168-L263 HydrophobicContact CE2-CD2 3.95Å; F168-L263 HydrophobicContact CZ-CD2 3.79Å; F168-A277 HydrophobicContact CB-CB 4.4Å; F168-A277 HydrophobicContact CD1-CB 4.2Å; F168-V279 HydrophobicContact CD1-CG1 3.81Å; F168-V279 HydrophobicContact CE1-CG1 4.47Å; F168-L295 HydrophobicContact CE1-CD2 3.99Å; F168-L295 HydrophobicContact CZ-CD2 4.45Å; F168-V300 HydrophobicContact CD1-CG2 4.35Å; F168-V300 HydrophobicContact CE1-CG2 3.43Å; F168-V300 VanDerWaalsContact CE1-CG2 3.43Å; F168-V300 HydrophobicContact CZ-CG2 4.01Å
169	G	98.9	Very high	98.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	119.2	158.2	0	0	0	0	0	110.3	V149 T171 A277 F278	V149-G169 VanDerWaalsContact CG2-CA 3.43Å; G169-T171 PolarHBondContact O-N 3.32Å; G169-A277 WeakPolarHBondContact O-CA 3.22Å; G169-F278 PolarHBondContact N-O 3.3Å; G169-F278 PolarHBondContact O-N 3.03Å
170	V	98.8	Very high	98.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.148	C	C	.	.			trans	-76.7	96.6	-176.1	-176.4	0	0	0	0	110	C139 I140 I141 M252 F259	C139-V170 HydrophobicContact CB-CG2 3.76Å; I140-V170 PolarHBondContact O-N 3Å; I141-V170 HydrophobicContact CG1-CB 3.86Å; I141-V170 HydrophobicContact CG1-CG1 4.3Å; I141-V170 HydrophobicContact CG1-CG2 3.83Å; V170-M252 HydrophobicContact CB-CE 4.5Å; V170-M252 HydrophobicContact CG1-CE 3.85Å; V170-F259 HydrophobicContact CG1-CB 4.16Å; V170-F259 HydrophobicContact CG1-CG 4.36Å; V170-F259 HydrophobicContact CG2-CD1 3.94Å; V170-F259 HydrophobicContact CG2-CE1 4.37Å
171	T	98.8	Very high	98.7	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	11%	0.114	C	C	.	.			trans	-97.8	8.7	175.8	61.2	0	0	0	0	112.9	G169 L173 D174 H201 C276 F278 S290	G169-T171 PolarHBondContact O-N 3.32Å; T171-L173 PolarHBondContact O-N 3.05Å; T171-L173 VanDerWaalsContact O-N 3.09Å; T171-D174 PolarHBondContact O-N 3.47Å; T171-H201 HydrophobicContact CG2-CB 3.93Å; T171-C276 PolarHBondContact OG1-O 2.91Å; T171-F278 HydrophobicContact CG2-CB 3.8Å; T171-S290 PolarHBondContact OG1-OG 3.41Å; T171-S290 VanDerWaalsContact OG1-OG 3.06Å
172	T	98.8	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.2	-27.7	-173.9	-46.5	0	0	0	0	113.1	D174 V175 V176 A255 R258 F259	T172-D174 PolarHBondContact O-N 2.98Å; T172-V175 PolarHBondContact O-N 3.4Å; T172-V176 HydrophobicContact CG2-CG2 4.38Å; T172-V176 VanDerWaalsContact O-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.32Å; T172-V176 PolarHBondContact O-N 3.01Å; T172-A255 HydrophobicContact CG2-CB 4.31Å; T172-R258 HydrophobicContact CG2-CB 4.41Å; T172-R258 HydrophobicContact CG2-CG 4.19Å; T172-F259 WeakPolarHBondContact OG1-CD2 3.42Å
173	L	98.7	Very high	98.7	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-31.9	177.5	-176.2	59	0	0	0	112.1	T171 V176 R177 A248 M252 A255	T171-L173 PolarHBondContact O-N 3.05Å; T171-L173 VanDerWaalsContact O-N 3.09Å; L173-V176 PolarHBondContact O-N 2.68Å; L173-R177 HydrophobicContact CD1-CG 4.5Å; L173-R177 WeakPolarHBondContact O-CB 3.26Å; L173-R177 WeakPolarHBondContact O-CD 3.31Å; L173-R177 VanDerWaalsContact O-CG 3.29Å; L173-R177 WeakPolarHBondContact O-CG 3.26Å; L173-R177 PolarHBondContact O-N 2.9Å; L173-A248 HydrophobicContact CD2-CB 4.22Å; L173-M252 HydrophobicContact CB-CE 4.41Å; L173-M252 HydrophobicContact CB-SD 3.85Å; L173-M252 HydrophobicContact CD2-CB 4.17Å; L173-M252 HydrophobicContact CD2-SD 3.66Å; L173-M252 HydrophobicContact CG-SD 4.34Å; L173-A255 HydrophobicContact CB-CB 3.88Å; L173-A255 HydrophobicContact CD1-CB 4.19Å
174	D	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-72	-38.8	178.5	-54.9	-28	0	0	0	111	T171 T172 R177 S178 V197 H201 I206	T171-D174 PolarHBondContact O-N 3.47Å; T172-D174 PolarHBondContact O-N 2.98Å; D174-R177 PolarHBondContact O-N 3.02Å; D174-R177 IonicContact OD1-NH1 2.61Å; D174-S178 VanDerWaalsContact O-CB 3.27Å; D174-S178 WeakPolarHBondContact O-CB 3.16Å; D174-S178 PolarHBondContact O-N 2.67Å; D174-V197 HydrophobicContact CB-CB 4.3Å; D174-V197 HydrophobicContact CB-CG1 3.84Å; D174-V197 HydrophobicContact CB-CG2 4.39Å; D174-H201 VanDerWaalsContact CG-ND1 3.3Å; D174-H201 IonicContact OD1-CE1 3.97Å; D174-H201 PolarHBondContact OD1-CE1 3.39Å; D174-H201 VanDerWaalsContact OD1-CE1 3.23Å; D174-H201 IonicContact OD1-ND1 3.65Å; D174-H201 PolarHBondContact OD1-ND1 2.94Å; D174-H201 IonicContact OD2-CE1 3.23Å; D174-H201 PolarHBondContact OD2-CE1 2.67Å; D174-H201 IonicContact OD2-CG 3.8Å; D174-H201 IonicContact OD2-ND1 3.33Å; D174-H201 PolarHBondContact OD2-ND1 3.15Å; D174-I206 HydrophobicContact CB-CG2 3.89Å
175	V	98.8	Very high	98.6	Very high	4 Å²	4	21.8 Å²	21.8	2%	0.024	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-45.1	171.7	177.3	0	0	0	0	110.5	T172 R177 S178 N179 V197 C276	T172-V175 PolarHBondContact O-N 3.4Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 2.9Å; V175-S178 PolarHBondContact O-N 3.31Å; V175-N179 WeakPolarHBondContact O-CB 3.47Å; V175-N179 PolarHBondContact O-N 3.36Å; V175-N179 PolarHBondContact O-OD1 3.1Å; V175-V197 HydrophobicContact CG2-CB 3.99Å; V175-V197 HydrophobicContact CG2-CG2 4.01Å; V175-C276 HydrophobicContact CG2-CB 3.89Å
176	V	98.7	Very high	98.5	Very high	21 Å²	21	19.9 Å²	19.9	13%	0.127	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-43.6	177.8	169.8	0	0	0	0	111.4	T172 L173 T180 Y254 A255	T172-V176 HydrophobicContact CG2-CG2 4.38Å; T172-V176 VanDerWaalsContact O-CG2 3.32Å; T172-V176 WeakPolarHBondContact O-CG2 3.32Å; T172-V176 PolarHBondContact O-N 3.01Å; L173-V176 PolarHBondContact O-N 2.68Å; V176-T180 WeakPolarHBondContact O-CB 3.38Å; V176-T180 PolarHBondContact O-N 2.97Å; V176-T180 VanDerWaalsContact O-N 3.08Å; V176-T180 PolarHBondContact O-OG1 3.08Å; V176-Y254 HydrophobicContact CG1-CD1 4.2Å; V176-Y254 HydrophobicContact CG1-CE1 4.08Å; V176-Y254 HydrophobicContact CG2-CD1 4.23Å; V176-Y254 HydrophobicContact CG2-CE1 3.89Å; V176-A255 HydrophobicContact CG2-CB 4.37Å
177	R	98.6	Very high	98.5	Very high	26 Å²	26	26.1 Å²	26.1	10%	0.098	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-47.6	175.1	-77.2	163.4	163.7	158.2	-2.8	111.8	L173 D174 V175 N179 T180 F181 A234	L173-R177 HydrophobicContact CD1-CG 4.5Å; L173-R177 WeakPolarHBondContact O-CB 3.26Å; L173-R177 WeakPolarHBondContact O-CD 3.31Å; L173-R177 VanDerWaalsContact O-CG 3.29Å; L173-R177 WeakPolarHBondContact O-CG 3.26Å; L173-R177 PolarHBondContact O-N 2.9Å; D174-R177 PolarHBondContact O-N 3.02Å; D174-R177 IonicContact OD1-NH1 2.61Å; V175-R177 VanDerWaalsContact C-N 3.35Å; V175-R177 PolarHBondContact O-N 2.9Å; R177-N179 PolarHBondContact O-N 2.87Å; R177-T180 PolarHBondContact O-N 2.84Å; R177-F181 HydrophobicContact CB-CD2 4.5Å; R177-F181 HydrophobicContact CB-CE2 4.06Å; R177-F181 HydrophobicContact CB-CZ 4.38Å; R177-F181 HydrophobicContact CG-CZ 4.45Å; R177-F181 WeakPolarHBondContact O-CD2 3.44Å; R177-F181 VanDerWaalsContact O-CG 3.25Å; R177-F181 WeakPolarHBondContact O-CG 3.5Å; R177-F181 PolarHBondContact O-N 3.23Å; R177-A234 HydrophobicContact CG-CB 4.27Å; R177-A234 PolarHBondContact NH2-O 2.93Å
178	S	98.7	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-50.3	178.8	-171.6	0	0	0	0	111.3	D174 V175 T180 F181 I182 C195 I231	D174-S178 VanDerWaalsContact O-CB 3.27Å; D174-S178 WeakPolarHBondContact O-CB 3.16Å; D174-S178 PolarHBondContact O-N 2.67Å; V175-S178 PolarHBondContact O-N 3.31Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 2.94Å; S178-F181 PolarHBondContact O-N 3.38Å; S178-I182 WeakPolarHBondContact O-CB 3.18Å; S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.35Å; S178-I182 PolarHBondContact O-N 2.94Å; S178-I182 WeakPolarHBondContact OG-CD1 3.37Å; S178-C195 WeakPolarHBondContact OG-CB 3.41Å; S178-C195 PolarHBondContact OG-SG 3.36Å; S178-I231 WeakPolarHBondContact OG-CD1 3.4Å
179	N	98.7	Very high	98.3	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-57.5	-43.6	176.6	-66.4	-3.4	0	0	0	111.8	V175 R177 A183 V193 S194 C195	V175-N179 WeakPolarHBondContact O-CB 3.47Å; V175-N179 PolarHBondContact O-N 3.36Å; V175-N179 PolarHBondContact O-OD1 3.1Å; R177-N179 PolarHBondContact O-N 2.87Å; N179-A183 WeakPolarHBondContact O-CB 3.35Å; N179-A183 PolarHBondContact O-N 3.01Å; N179-V193 HydrophobicContact CB-CB 4.36Å; N179-V193 HydrophobicContact CB-CG1 4.16Å; N179-V193 PolarHBondContact ND2-O 3.49Å; N179-S194 WeakPolarHBondContact OD1-CA 3.45Å; N179-C195 PolarHBondContact OD1-N 3.06Å
180	T	98.7	Very high	98.2	Very high	48 Å²	48	34.9 Å²	34.9	29%	0.294	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-49.5	179.8	-58.2	0	0	0	0	111.8	V176 R177 S178 A183 Q184	V176-T180 WeakPolarHBondContact O-CB 3.38Å; V176-T180 PolarHBondContact O-N 2.97Å; V176-T180 VanDerWaalsContact O-N 3.08Å; V176-T180 PolarHBondContact O-OG1 3.08Å; R177-T180 PolarHBondContact O-N 2.84Å; S178-T180 VanDerWaalsContact C-N 3.3Å; S178-T180 PolarHBondContact O-N 2.94Å; T180-A183 PolarHBondContact O-N 3.26Å; T180-Q184 VanDerWaalsContact O-CG 3.3Å; T180-Q184 WeakPolarHBondContact O-CG 3.43Å; T180-Q184 PolarHBondContact O-N 2.94Å
181	F	98.5	Very high	98.1	Very high	23 Å²	23	45.9 Å²	45.9	10%	0.101	24%	0.239	C	C	.	.	H	α-helix	trans	-71.3	-38.5	-175.6	-59.4	-22.8	0	0	0	112.3	R177 S178 Q184 A185 R230 I231 A234	R177-F181 HydrophobicContact CB-CD2 4.5Å; R177-F181 HydrophobicContact CB-CE2 4.06Å; R177-F181 HydrophobicContact CB-CZ 4.38Å; R177-F181 HydrophobicContact CG-CZ 4.45Å; R177-F181 WeakPolarHBondContact O-CD2 3.44Å; R177-F181 VanDerWaalsContact O-CG 3.25Å; R177-F181 WeakPolarHBondContact O-CG 3.5Å; R177-F181 PolarHBondContact O-N 3.23Å; S178-F181 PolarHBondContact O-N 3.38Å; F181-Q184 PolarHBondContact O-N 3.43Å; F181-A185 WeakPolarHBondContact O-CB 3.31Å; F181-A185 PolarHBondContact O-N 3.41Å; F181-R230 HydrophobicContact CD2-CG 4.11Å; F181-R230 HydrophobicContact CE2-CG 3.88Å; F181-R230 HydrophobicContact CZ-CG 4.4Å; F181-I231 HydrophobicContact CD2-CG1 3.74Å; F181-I231 HydrophobicContact CE2-CG1 4.39Å; F181-A234 HydrophobicContact CE2-CB 3.91Å; F181-A234 HydrophobicContact CZ-CB 4.09Å
182	I	98.5	Very high	98	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-44.2	174	-68.6	167.5	0	0	0	110.3	S178 Q184 A185 K186 V193 C195 I210 V217 F219 I227	S178-I182 WeakPolarHBondContact O-CB 3.18Å; S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.35Å; S178-I182 PolarHBondContact O-N 2.94Å; S178-I182 WeakPolarHBondContact OG-CD1 3.37Å; I182-Q184 PolarHBondContact O-N 3.45Å; I182-A185 PolarHBondContact O-N 2.95Å; I182-K186 PolarHBondContact O-N 3.45Å; I182-V193 HydrophobicContact CB-CG1 4.22Å; I182-V193 HydrophobicContact CG2-CG1 4.01Å; I182-C195 HydrophobicContact CD1-CB 3.54Å; I182-I210 HydrophobicContact CD1-CG1 4.2Å; I182-I210 HydrophobicContact CD1-CG2 4.42Å; I182-V217 HydrophobicContact CG2-CG1 4.12Å; I182-V217 HydrophobicContact CG2-CG2 3.9Å; I182-F219 HydrophobicContact CG2-CE2 4.38Å; I182-F219 HydrophobicContact CG2-CZ 4.4Å; I182-I227 HydrophobicContact CG1-CG2 4.35Å
183	A	98.4	Very high	98	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-45.6	177.5	0	0	0	0	0	112.1	N179 T180 K186 D187 L188 V190 V193	N179-A183 WeakPolarHBondContact O-CB 3.35Å; N179-A183 PolarHBondContact O-N 3.01Å; T180-A183 PolarHBondContact O-N 3.26Å; A183-K186 PolarHBondContact O-N 2.78Å; A183-D187 WeakPolarHBondContact O-CA 3.29Å; A183-D187 PolarHBondContact O-N 3.33Å; A183-L188 HydrophobicContact CB-CB 4.48Å; A183-L188 PolarHBondContact O-N 3.17Å; A183-V190 HydrophobicContact CB-CB 3.73Å; A183-V190 HydrophobicContact CB-CG2 3.96Å; A183-V193 HydrophobicContact CB-CG2 3.86Å
184	Q	97.8	Very high	98	Very high	123 Å²	123	56.7 Å²	56.7	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-43.2	176.1	-74	172.5	-15.2	0	0	112.2	T180 F181 I182 K186	T180-Q184 VanDerWaalsContact O-CG 3.3Å; T180-Q184 WeakPolarHBondContact O-CG 3.43Å; T180-Q184 PolarHBondContact O-N 2.94Å; F181-Q184 PolarHBondContact O-N 3.43Å; I182-Q184 PolarHBondContact O-N 3.45Å; Q184-K186 VanDerWaalsContact C-N 3.3Å; Q184-K186 PolarHBondContact O-N 3.1Å
185	A	97.4	Very high	98	Very high	51 Å²	51	56.7 Å²	56.7	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-72.6	-21.7	-177.2	0	0	0	0	0	113.7	F181 I182 F219 I227	F181-A185 WeakPolarHBondContact O-CB 3.31Å; F181-A185 PolarHBondContact O-N 3.41Å; I182-A185 PolarHBondContact O-N 2.95Å; A185-F219 HydrophobicContact CB-CE1 3.69Å; A185-F219 HydrophobicContact CB-CZ 3.96Å; A185-I227 HydrophobicContact CB-CD1 3.72Å
186	K	97	Very high	98	Very high	68 Å²	68	57.3 Å²	57.3	30%	0.296	30%	0.298	S	S	.	.	H	α-helix	trans	-113.8	8.2	179.9	-67.5	-54.7	-164.7	-162.6	0	114.5	I182 A183 Q184 L188 V217 S218 F219	I182-K186 PolarHBondContact O-N 3.45Å; A183-K186 PolarHBondContact O-N 2.78Å; Q184-K186 VanDerWaalsContact C-N 3.3Å; Q184-K186 PolarHBondContact O-N 3.1Å; K186-L188 HydrophobicContact CB-CD1 3.82Å; K186-L188 HydrophobicContact CB-CG 3.72Å; K186-L188 PolarHBondContact O-N 2.95Å; K186-V217 HydrophobicContact CG-CB 4.3Å; K186-V217 HydrophobicContact CG-CG1 4.03Å; K186-S218 WeakPolarHBondContact CE-O 3.45Å; K186-S218 PolarHBondContact NZ-O 3.27Å; K186-F219 HydrophobicContact CD-CD1 4.41Å; K186-F219 HydrophobicContact CD-CE1 3.73Å; K186-F219 HydrophobicContact CD-CZ 3.94Å; K186-F219 HydrophobicContact CG-CE1 3.82Å; K186-F219 HydrophobicContact CG-CE2 4.3Å; K186-F219 HydrophobicContact CG-CZ 3.52Å
187	D	96.8	Very high	98	Very high	157 Å²	157	56.4 Å²	56.4	84%	0.84	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	45.3	-175.4	-164.7	33.5	0	0	0	112.9	A183	A183-D187 WeakPolarHBondContact O-CA 3.29Å; A183-D187 PolarHBondContact O-N 3.33Å
188	L	97.3	Very high	98	Very high	59 Å²	59	55.2 Å²	55.2	31%	0.309	29%	0.288	S	S	.	.			trans	-99.5	152.5	179.6	-58.6	174.7	0	0	0	110.8	A183 K186 V190 V193 P215 V217	A183-L188 HydrophobicContact CB-CB 4.48Å; A183-L188 PolarHBondContact O-N 3.17Å; K186-L188 HydrophobicContact CB-CD1 3.82Å; K186-L188 HydrophobicContact CB-CG 3.72Å; K186-L188 PolarHBondContact O-N 2.95Å; L188-V190 PolarHBondContact O-N 3.1Å; L188-V193 HydrophobicContact CB-CG2 3.89Å; L188-V193 HydrophobicContact CD1-CG2 3.98Å; L188-P215 HydrophobicContact CD1-CG 3.99Å; L188-V217 HydrophobicContact CD1-CG1 3.7Å
189	A	97.5	Very high	98	Very high	62 Å²	62	55.2 Å²	55.2	51%	0.512	29%	0.288	S	S	.	.			trans	-64.6	110	166.6	0	0	0	0	0	109.9	R191 K192	A189-R191 PolarHBondContact O-N 3.42Å; A189-K192 HydrophobicContact CB-CD 4.34Å; A189-K192 HydrophobicContact CB-CG 4.31Å; A189-K192 WeakPolarHBondContact O-CB 3.32Å; A189-K192 PolarHBondContact O-N 2.95Å
190	V	97.5	Very high	98	Very high	66 Å²	66	54.7 Å²	54.7	40%	0.4	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-52.6	-32.3	-175.1	67	0	0	0	0	114.2	A183 L188 K192 V193	A183-V190 HydrophobicContact CB-CB 3.73Å; A183-V190 HydrophobicContact CB-CG2 3.96Å; L188-V190 PolarHBondContact O-N 3.1Å; V190-K192 PolarHBondContact O-N 3.41Å; V190-V193 PolarHBondContact O-N 3.49Å; V190-V193 VanDerWaalsContact O-N 3.11Å
191	R	96	Very high	97.9	Very high	233 Å²	233	53.4 Å²	53.4	88%	0.879	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17	177	-66.7	-174	-178.8	-87.5	1.3	114.1	A189	A189-R191 PolarHBondContact O-N 3.42Å
192	K	97	Very high	97.8	Very high	163 Å²	163	54.6 Å²	54.6	71%	0.709	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-96.9	-7.4	176	-62.1	-174.3	177.7	-179.5	0	112.5	A189 V190 S214 P215	A189-K192 HydrophobicContact CB-CD 4.34Å; A189-K192 HydrophobicContact CB-CG 4.31Å; A189-K192 WeakPolarHBondContact O-CB 3.32Å; A189-K192 PolarHBondContact O-N 2.95Å; V190-K192 PolarHBondContact O-N 3.41Å; K192-S214 VanDerWaalsContact O-O 3.11Å; K192-P215 WeakPolarHBondContact O-CD 3.43Å
193	V	98.3	Very high	97.6	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.036	30%	0.303	C	S	.	.			trans	-90.9	129	-179.1	-178.1	0	0	0	0	109.8	N179 I182 A183 L188 V190 S214	N179-V193 HydrophobicContact CB-CB 4.36Å; N179-V193 HydrophobicContact CB-CG1 4.16Å; N179-V193 PolarHBondContact ND2-O 3.49Å; I182-V193 HydrophobicContact CB-CG1 4.22Å; I182-V193 HydrophobicContact CG2-CG1 4.01Å; A183-V193 HydrophobicContact CB-CG2 3.86Å; L188-V193 HydrophobicContact CB-CG2 3.89Å; L188-V193 HydrophobicContact CD1-CG2 3.98Å; V190-V193 PolarHBondContact O-N 3.49Å; V190-V193 VanDerWaalsContact O-N 3.11Å; V193-S214 CarbonylContact C-O 3.55Å; V193-S214 WeakPolarHBondContact CA-O 3.23Å
194	S	98.2	Very high	97.6	Very high	64 Å²	64	59.2 Å²	59.2	45%	0.448	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-137.9	103.1	173.3	-170.8	0	0	0	0	109.2	N179 C213 S214	N179-S194 WeakPolarHBondContact OD1-CA 3.45Å; S194-C213 WeakPolarHBondContact O-CA 3.49Å; S194-S214 PolarHBondContact N-O 3.23Å; S194-S214 PolarHBondContact O-N 3.31Å
195	C	98.6	Very high	97.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.291	C	S	.	.			trans	-107.2	118.4	173.3	-178.1	0	0	0	0	109.2	S178 N179 I182 C213	S178-C195 WeakPolarHBondContact OG-CB 3.41Å; S178-C195 PolarHBondContact OG-SG 3.36Å; N179-C195 PolarHBondContact OD1-N 3.06Å; I182-C195 HydrophobicContact CD1-CB 3.54Å; C195-C213 HydrophobicContact CB-CB 4.13Å
196	P	98.7	Very high	97.7	Very high	17 Å²	17	51.3 Å²	51.3	11%	0.11	27%	0.273	C	S	.	.			trans	-64.8	139.2	172.4	24	-26.9	0	0	0	110	V209 Q212 P292	P196-V209 HydrophobicContact CG-CB 4.23Å; P196-V209 PolarHBondContact O-N 3.04Å; P196-Q212 HydrophobicContact CG-CB 3.8Å; P196-P292 HydrophobicContact CB-CG 3.92Å
197	V	98.8	Very high	97.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.9	171.7	-176	0	0	0	0	107.4	D174 V175 I206 L207 P208 C276	D174-V197 HydrophobicContact CB-CB 4.3Å; D174-V197 HydrophobicContact CB-CG1 3.84Å; D174-V197 HydrophobicContact CB-CG2 4.39Å; V175-V197 HydrophobicContact CG2-CB 3.99Å; V175-V197 HydrophobicContact CG2-CG2 4.01Å; V197-I206 HydrophobicContact CG1-CG2 3.63Å; V197-L207 WeakPolarHBondContact CA-O 3.29Å; V197-P208 HydrophobicContact CG2-CB 4.2Å; V197-C276 WeakPolarHBondContact O-CB 3.38Å; V197-C276 PolarHBondContact O-SG 3.34Å
198	I	98.8	Very high	97.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	173.7	-174.6	71.1	172.9	0	0	0	110.7	L207 V209 F289 S290 T291 I306 L309	I198-L207 HydrophobicContact CD1-CD2 4.04Å; I198-L207 HydrophobicContact CG1-CB 3.97Å; I198-L207 HydrophobicContact CG1-CD2 3.79Å; I198-L207 HydrophobicContact CG1-CG 4.33Å; I198-L207 PolarHBondContact N-O 2.92Å; I198-L207 WeakPolarHBondContact O-CB 3.14Å; I198-L207 PolarHBondContact O-N 2.77Å; I198-V209 HydrophobicContact CB-CG2 4.49Å; I198-V209 HydrophobicContact CD1-CG2 3.69Å; I198-V209 HydrophobicContact CG1-CG2 3.72Å; I198-V209 HydrophobicContact CG2-CG2 4.06Å; I198-F289 HydrophobicContact CB-CE1 4.07Å; I198-F289 HydrophobicContact CD1-CE1 4.32Å; I198-F289 HydrophobicContact CG1-CE1 4.32Å; I198-S290 CarbonylContact C-O 3.58Å; I198-S290 WeakPolarHBondContact CA-O 3.35Å; I198-S290 WeakPolarHBondContact CB-O 3.5Å; I198-T291 HydrophobicContact CG2-CG2 4.49Å; I198-I306 HydrophobicContact CD1-CB 4.34Å; I198-I306 HydrophobicContact CD1-CG1 4.12Å; I198-I306 HydrophobicContact CD1-CG2 3.77Å; I198-L309 HydrophobicContact CD1-CD2 4.47Å
199	G	98.8	Very high	97.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.5	-110.6	178.1	0	0	0	0	0	113	T205 F278 F289 S290	G199-T205 CarbonylContact C-O 3.35Å; G199-T205 WeakPolarHBondContact CA-O 3.33Å; G199-F278 VanDerWaalsContact O-CD2 3.31Å; G199-F278 WeakPolarHBondContact O-CD2 3.43Å; G199-F278 WeakPolarHBondContact O-CE2 3.49Å; G199-F289 VanDerWaalsContact CA-CZ 3.42Å; G199-F289 VanDerWaalsContact N-CE1 3.31Å; G199-S290 PolarHBondContact N-O 3.48Å; G199-S290 WeakPolarHBondContact O-CB 3.3Å; G199-S290 PolarHBondContact O-N 3.29Å
200	G	98.6	Very high	98	Very high	1 Å²	1	35 Å²	35	1%	0.01	18%	0.18	C	C	.	.			trans	-135.3	-157.3	178.5	0	0	0	0	0	111.7	N146 T205	N146-G200 WeakPolarHBondContact OD1-CA 3.32Å; G200-T205 PolarHBondContact N-O 3.13Å
201	H	98.1	Very high	98	Very high	20 Å²	20	33.5 Å²	33.5	9%	0.093	17%	0.173	C	C	.	.	S	Bend	trans	-129.3	30.3	-172.9	-163.4	49.4	0	0	0	112.9	V145 N146 T171 D174 T205	V145-H201 HydrophobicContact CB-CB 3.98Å; V145-H201 HydrophobicContact CG1-CB 4.38Å; N146-H201 PolarHBondContact OD1-N 2.92Å; T171-H201 HydrophobicContact CG2-CB 3.93Å; D174-H201 VanDerWaalsContact CG-ND1 3.3Å; D174-H201 IonicContact OD1-CE1 3.97Å; D174-H201 PolarHBondContact OD1-CE1 3.39Å; D174-H201 VanDerWaalsContact OD1-CE1 3.23Å; D174-H201 IonicContact OD1-ND1 3.65Å; D174-H201 PolarHBondContact OD1-ND1 2.94Å; D174-H201 IonicContact OD2-CE1 3.23Å; D174-H201 PolarHBondContact OD2-CE1 2.67Å; D174-H201 IonicContact OD2-CG 3.8Å; D174-H201 IonicContact OD2-ND1 3.33Å; D174-H201 PolarHBondContact OD2-ND1 3.15Å; H201-T205 PolarHBondContact N-OG1 3.36Å
202	S	95	Very high	98.1	Very high	49 Å²	49	25.5 Å²	25.5	34%	0.343	15%	0.146	S	C	.	.	S	Bend	trans	-148.5	122.4	179.5	174.8	0	0	0	0	111.9	I204 T205	S202-I204 PolarHBondContact O-N 3.12Å; S202-T205 PolarHBondContact N-OG1 2.79Å; S202-T205 WeakPolarHBondContact O-CB 3.37Å; S202-T205 PolarHBondContact O-N 3.3Å; S202-T205 PolarHBondContact O-OG1 2.9Å
203	G	95.5	Very high	98.1	Very high	32 Å²	32	18 Å²	18	33%	0.33	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	51.2	-127.7	172	0	0	0	0	0	112.6	T205 I206 Q232	G203-T205 PolarHBondContact O-N 3.08Å; G203-T205 VanDerWaalsContact O-N 3.11Å; G203-I206 PolarHBondContact O-N 3.09Å; G203-I206 VanDerWaalsContact O-N 3.1Å; G203-Q232 WeakPolarHBondContact O-CG 3.05Å
204	I	97.7	Very high	98.1	Very high	70 Å²	70	21.3 Å²	21.3	36%	0.359	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-65.1	-16.1	-177.7	68	169.7	0	0	0	113.6	S202 I206 L320 E323	S202-I204 PolarHBondContact O-N 3.12Å; I204-I206 PolarHBondContact O-N 3.32Å; I204-L320 WeakPolarHBondContact O-CB 3.4Å; I204-E323 HydrophobicContact CD1-CB 4.49Å; I204-E323 VanDerWaalsContact CD1-OE2 3.24Å; I204-E323 WeakPolarHBondContact CD1-OE2 3.39Å; I204-E323 WeakPolarHBondContact CG1-OE2 3.37Å
205	T	98.6	Very high	98.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-69.6	-17.1	175.3	71.7	0	0	0	0	113.1	N146 G199 G200 H201 S202 G203 L207 L320 E323 L324	N146-T205 PolarHBondContact ND2-OG1 3.41Å; G199-T205 CarbonylContact C-O 3.35Å; G199-T205 WeakPolarHBondContact CA-O 3.33Å; G200-T205 PolarHBondContact N-O 3.13Å; H201-T205 PolarHBondContact N-OG1 3.36Å; S202-T205 PolarHBondContact N-OG1 2.79Å; S202-T205 WeakPolarHBondContact O-CB 3.37Å; S202-T205 PolarHBondContact O-N 3.3Å; S202-T205 PolarHBondContact O-OG1 2.9Å; G203-T205 PolarHBondContact O-N 3.08Å; G203-T205 VanDerWaalsContact O-N 3.11Å; T205-L207 PolarHBondContact O-N 2.92Å; T205-L320 HydrophobicContact CG2-CB 4.39Å; T205-E323 HydrophobicContact CG2-CB 4.1Å; T205-E323 HydrophobicContact CG2-CG 3.89Å; T205-L324 HydrophobicContact CG2-CB 4.27Å
206	I	98.8	Very high	98	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.041	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	108.6	173.8	-56.8	168.3	0	0	0	108.2	D174 V197 G203 I204 P208 I231 Q232	D174-I206 HydrophobicContact CB-CG2 3.89Å; V197-I206 HydrophobicContact CG1-CG2 3.63Å; G203-I206 PolarHBondContact O-N 3.09Å; G203-I206 VanDerWaalsContact O-N 3.1Å; I204-I206 PolarHBondContact O-N 3.32Å; I206-P208 WeakPolarHBondContact O-CD 3.45Å; I206-I231 HydrophobicContact CG2-CG2 3.97Å; I206-Q232 HydrophobicContact CB-CG 4.15Å; I206-Q232 WeakPolarHBondContact O-CG 3.46Å; I206-Q232 PolarHBondContact O-NE2 3.25Å
207	L	98.8	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	96.9	-179.7	-166.7	159.5	0	0	0	110.5	V197 I198 T205 V209 E313 L316 L317 L320	V197-L207 WeakPolarHBondContact CA-O 3.29Å; I198-L207 HydrophobicContact CD1-CD2 4.04Å; I198-L207 HydrophobicContact CG1-CB 3.97Å; I198-L207 HydrophobicContact CG1-CD2 3.79Å; I198-L207 HydrophobicContact CG1-CG 4.33Å; I198-L207 PolarHBondContact N-O 2.92Å; I198-L207 WeakPolarHBondContact O-CB 3.14Å; I198-L207 PolarHBondContact O-N 2.77Å; T205-L207 PolarHBondContact O-N 2.92Å; L207-V209 HydrophobicContact CD2-CB 4.46Å; L207-V209 HydrophobicContact CD2-CG2 3.53Å; L207-V209 PolarHBondContact O-N 3Å; L207-E313 HydrophobicContact CD2-CB 4.41Å; L207-E313 HydrophobicContact CD2-CG 4.44Å; L207-L316 HydrophobicContact CD1-CB 3.76Å; L207-L316 HydrophobicContact CG-CB 4.27Å; L207-L317 HydrophobicContact CD1-CB 3.91Å; L207-L320 HydrophobicContact CB-CD2 3.73Å; L207-L320 HydrophobicContact CD1-CD2 3.55Å; L207-L320 HydrophobicContact CG-CD2 4.26Å
208	P	98.7	Very high	97.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	118.2	169.7	29.7	-32.8	0	0	0	110.1	V197 I206 I210 T228 I231	V197-P208 HydrophobicContact CG2-CB 4.2Å; I206-P208 WeakPolarHBondContact O-CD 3.45Å; P208-I210 VanDerWaalsContact C-N 3.26Å; P208-I210 HydrophobicContact CB-CG1 4.24Å; P208-I210 PolarHBondContact O-N 2.6Å; P208-T228 HydrophobicContact CG-CG2 3.94Å; P208-I231 HydrophobicContact CB-CD1 3.69Å; P208-I231 HydrophobicContact CB-CG2 4.3Å; P208-I231 HydrophobicContact CG-CB 4.21Å; P208-I231 HydrophobicContact CG-CD1 3.69Å; P208-I231 HydrophobicContact CG-CG2 4.1Å
209	V	98.5	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.189	C	C	.	.			trans	-87.4	71.6	179	-168.2	0	0	0	0	108.9	P196 I198 L207 S211 Q212 L309	P196-V209 HydrophobicContact CG-CB 4.23Å; P196-V209 PolarHBondContact O-N 3.04Å; I198-V209 HydrophobicContact CB-CG2 4.49Å; I198-V209 HydrophobicContact CD1-CG2 3.69Å; I198-V209 HydrophobicContact CG1-CG2 3.72Å; I198-V209 HydrophobicContact CG2-CG2 4.06Å; L207-V209 HydrophobicContact CD2-CB 4.46Å; L207-V209 HydrophobicContact CD2-CG2 3.53Å; L207-V209 PolarHBondContact O-N 3Å; V209-S211 PolarHBondContact O-N 3.15Å; V209-S211 VanDerWaalsContact O-N 3.16Å; V209-Q212 HydrophobicContact CB-CB 4.42Å; V209-Q212 HydrophobicContact CG1-CB 3.92Å; V209-Q212 HydrophobicContact CG1-CG 3.62Å; V209-Q212 PolarHBondContact O-N 2.97Å; V209-L309 HydrophobicContact CB-CD2 4.4Å; V209-L309 HydrophobicContact CG1-CD2 3.46Å; V209-L309 VanDerWaalsContact CG1-CD2 3.46Å; V209-L309 HydrophobicContact CG2-CD2 3.98Å
210	I	98.2	Very high	97.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.3	-175.5	-57.3	177.6	0	0	0	110.8	I182 P208 Q212 C213 V217 F219 R224 I227 E313	I182-I210 HydrophobicContact CD1-CG1 4.2Å; I182-I210 HydrophobicContact CD1-CG2 4.42Å; P208-I210 VanDerWaalsContact C-N 3.26Å; P208-I210 HydrophobicContact CB-CG1 4.24Å; P208-I210 PolarHBondContact O-N 2.6Å; I210-Q212 PolarHBondContact O-N 2.96Å; I210-Q212 VanDerWaalsContact O-N 3.16Å; I210-C213 VanDerWaalsContact O-CB 3.27Å; I210-C213 WeakPolarHBondContact O-CB 3.41Å; I210-C213 PolarHBondContact O-N 2.84Å; I210-C213 VanDerWaalsContact O-N 3.09Å; I210-V217 HydrophobicContact CG2-CG2 3.87Å; I210-F219 HydrophobicContact CG2-CD2 3.87Å; I210-F219 HydrophobicContact CG2-CE2 3.95Å; I210-R224 HydrophobicContact CD1-CG 4.43Å; I210-I227 HydrophobicContact CD1-CG2 4Å; I210-E313 PolarHBondContact N-OE1 2.87Å; I210-E313 VanDerWaalsContact N-OE1 3.13Å
211	S	98	Very high	97.4	Very high	35 Å²	35	38.7 Å²	38.7	25%	0.245	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.4	-22.7	174.5	71.9	0	0	0	0	114.1	V209 E313	V209-S211 PolarHBondContact O-N 3.15Å; V209-S211 VanDerWaalsContact O-N 3.16Å; S211-E313 VanDerWaalsContact CB-OE1 3.28Å; S211-E313 WeakPolarHBondContact CB-OE1 3.29Å; S211-E313 VanDerWaalsContact CB-OE2 3.3Å; S211-E313 WeakPolarHBondContact CB-OE2 3.24Å; S211-E313 PolarHBondContact N-OE1 3.26Å; S211-E313 VanDerWaalsContact OG-CD 3.24Å; S211-E313 PolarHBondContact OG-OE1 3.11Å; S211-E313 VanDerWaalsContact OG-OE1 3.12Å; S211-E313 PolarHBondContact OG-OE2 3.24Å
212	Q	98.1	Very high	97.3	Very high	66 Å²	66	41.5 Å²	41.5	31%	0.308	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-105.4	10.4	178.5	-65.1	-178.7	28.3	0	0	113.3	P196 V209 I210 I306 K308	P196-Q212 HydrophobicContact CG-CB 3.8Å; V209-Q212 HydrophobicContact CB-CB 4.42Å; V209-Q212 HydrophobicContact CG1-CB 3.92Å; V209-Q212 HydrophobicContact CG1-CG 3.62Å; V209-Q212 PolarHBondContact O-N 2.97Å; I210-Q212 PolarHBondContact O-N 2.96Å; I210-Q212 VanDerWaalsContact O-N 3.16Å; Q212-I306 PolarHBondContact NE2-O 3.47Å; Q212-K308 PolarHBondContact NE2-O 3.3Å
213	C	98.2	Very high	97.4	Very high	6 Å²	6	43 Å²	43	4%	0.041	25%	0.246	C	C	.	.			trans	-63.4	141.6	176.8	178.1	0	0	0	0	111.5	S194 C195 I210 P215 H216 V217	S194-C213 WeakPolarHBondContact O-CA 3.49Å; C195-C213 HydrophobicContact CB-CB 4.13Å; I210-C213 VanDerWaalsContact O-CB 3.27Å; I210-C213 WeakPolarHBondContact O-CB 3.41Å; I210-C213 PolarHBondContact O-N 2.84Å; I210-C213 VanDerWaalsContact O-N 3.09Å; C213-P215 CarbonylContact C-O 3.57Å; C213-P215 CarbonylContact O-C 3.57Å; C213-P215 VanDerWaalsContact O-C 3.3Å; C213-P215 VanDerWaalsContact O-O 3.1Å; C213-H216 WeakPolarHBondContact O-CA 3.4Å; C213-H216 PolarHBondContact O-N 3.02Å; C213-V217 HydrophobicContact CB-CG2 3.81Å
214	S	97.5	Very high	97.5	Very high	75 Å²	75	42.8 Å²	42.8	52%	0.524	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-117.6	127.9	172.5	-175.1	0	0	0	0	110.1	K192 V193 S194	K192-S214 VanDerWaalsContact O-O 3.11Å; V193-S214 CarbonylContact C-O 3.55Å; V193-S214 WeakPolarHBondContact CA-O 3.23Å; S194-S214 PolarHBondContact N-O 3.23Å; S194-S214 PolarHBondContact O-N 3.31Å
215	P	97.6	Very high	97.5	Very high	54 Å²	54	43.7 Å²	43.7	35%	0.351	24%	0.238	S	C	.	.	S	Bend	cis	-59.5	159	-8.6	30.6	-37.6	0	0	0	111	L188 K192 C213 V217	L188-P215 HydrophobicContact CD1-CG 3.99Å; K192-P215 WeakPolarHBondContact O-CD 3.43Å; C213-P215 CarbonylContact C-O 3.57Å; C213-P215 CarbonylContact O-C 3.57Å; C213-P215 VanDerWaalsContact O-C 3.3Å; C213-P215 VanDerWaalsContact O-O 3.1Å; P215-V217 PolarHBondContact O-N 3.05Å
216	H	97.1	Very high	97.5	Very high	148 Å²	148	49.9 Å²	49.9	69%	0.685	27%	0.265	S	S	*	.			trans	-57.4	130.8	178.3	-178.3	72.1	0	0	0	110.5	C213	C213-H216 WeakPolarHBondContact O-CA 3.4Å; C213-H216 PolarHBondContact O-N 3.02Å
217	V	96.5	Very high	97.5	Very high	10 Å²	10	50.5 Å²	50.5	6%	0.061	27%	0.268	C	S	.	.			trans	-127.1	144.6	174.6	-64	0	0	0	0	109.8	I182 K186 L188 I210 C213 P215 F219	I182-V217 HydrophobicContact CG2-CG1 4.12Å; I182-V217 HydrophobicContact CG2-CG2 3.9Å; K186-V217 HydrophobicContact CG-CB 4.3Å; K186-V217 HydrophobicContact CG-CG1 4.03Å; L188-V217 HydrophobicContact CD1-CG1 3.7Å; I210-V217 HydrophobicContact CG2-CG2 3.87Å; C213-V217 HydrophobicContact CB-CG2 3.81Å; P215-V217 PolarHBondContact O-N 3.05Å; V217-F219 HydrophobicContact CB-CE2 4.22Å; V217-F219 HydrophobicContact CG2-CD2 4.42Å; V217-F219 HydrophobicContact CG2-CE2 3.85Å
218	S	94.4	Very high	97.5	Very high	75 Å²	75	50.5 Å²	50.5	52%	0.524	27%	0.268	S	S	.	.			trans	-126	134.3	173	-175.2	0	0	0	0	109.8	K186	K186-S218 WeakPolarHBondContact CE-O 3.45Å; K186-S218 PolarHBondContact NZ-O 3.27Å
219	F	96.7	Very high	97.4	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.035	29%	0.291	C	S	.	.			trans	-120.5	143	175.4	-68	-83.8	0	0	0	109	I182 A185 K186 I210 V217 E223 R224 I227	I182-F219 HydrophobicContact CG2-CE2 4.38Å; I182-F219 HydrophobicContact CG2-CZ 4.4Å; A185-F219 HydrophobicContact CB-CE1 3.69Å; A185-F219 HydrophobicContact CB-CZ 3.96Å; K186-F219 HydrophobicContact CD-CD1 4.41Å; K186-F219 HydrophobicContact CD-CE1 3.73Å; K186-F219 HydrophobicContact CD-CZ 3.94Å; K186-F219 HydrophobicContact CG-CE1 3.82Å; K186-F219 HydrophobicContact CG-CE2 4.3Å; K186-F219 HydrophobicContact CG-CZ 3.52Å; I210-F219 HydrophobicContact CG2-CD2 3.87Å; I210-F219 HydrophobicContact CG2-CE2 3.95Å; V217-F219 HydrophobicContact CB-CE2 4.22Å; V217-F219 HydrophobicContact CG2-CD2 4.42Å; V217-F219 HydrophobicContact CG2-CE2 3.85Å; F219-E223 HydrophobicContact CB-CB 4.16Å; F219-E223 HydrophobicContact CD1-CB 4.14Å; F219-E223 WeakPolarHBondContact CD1-OE2 3.46Å; F219-R224 HydrophobicContact CB-CB 4.06Å; F219-I227 HydrophobicContact CD1-CD1 3.64Å; F219-I227 HydrophobicContact CD2-CD1 4.33Å; F219-I227 HydrophobicContact CE1-CD1 3.22Å; F219-I227 HydrophobicContact CE2-CD1 3.96Å; F219-I227 HydrophobicContact CG-CD1 4.17Å; F219-I227 HydrophobicContact CZ-CD1 3.39Å
220	P	96.8	Very high	97.4	Very high	69 Å²	69	60.7 Å²	60.7	45%	0.448	31%	0.309	S	S	.	.			trans	-49.4	152	158.6	-24	34.6	0	0	0	110.9	D222 E223 R224	P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 WeakPolarHBondContact CB-OD1 3.46Å; P220-D222 PolarHBondContact O-N 3.47Å; P220-E223 PolarHBondContact O-N 3.2Å; P220-R224 WeakPolarHBondContact O-CB 3.41Å; P220-R224 PolarHBondContact O-N 2.89Å
221	Q	96.7	Very high	97.4	Very high	86 Å²	86	60.6 Å²	60.6	40%	0.402	31%	0.309	S	S	.	.	H	α-helix	trans	-59	-40.4	-172.5	-178.7	58.7	22	0	0	112.7	R224 E225	Q221-R224 WeakPolarHBondContact O-CB 3.3Å; Q221-R224 PolarHBondContact O-N 3.25Å; Q221-E225 PolarHBondContact NE2-OE1 2.97Å; Q221-E225 WeakPolarHBondContact O-CG 3.17Å; Q221-E225 PolarHBondContact O-N 3.12Å
222	D	97.2	Very high	97.4	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	30%	0.303	S	S	.	.	H	α-helix	trans	-67.8	-38.8	179.6	74.6	-57	0	0	0	112.3	P220 K226	P220-D222 VanDerWaalsContact C-N 3.3Å; P220-D222 WeakPolarHBondContact CB-OD1 3.46Å; P220-D222 PolarHBondContact O-N 3.47Å; D222-K226 WeakPolarHBondContact O-CD 3.43Å; D222-K226 VanDerWaalsContact O-CG 3.24Å; D222-K226 WeakPolarHBondContact O-CG 3.44Å; D222-K226 PolarHBondContact O-N 3.09Å; D222-K226 IonicContact OD2-NZ 2.85Å; D222-K226 PolarHBondContact OD2-NZ 3.29Å
223	E	97	Very high	97.3	Very high	81 Å²	81	61.5 Å²	61.5	38%	0.379	31%	0.309	S	S	.	.	H	α-helix	trans	-67.6	-40.8	173.5	-73	-175.7	-165.6	0	0	111.9	F219 P220 E225 K226 I227	F219-E223 HydrophobicContact CB-CB 4.16Å; F219-E223 HydrophobicContact CD1-CB 4.14Å; F219-E223 WeakPolarHBondContact CD1-OE2 3.46Å; P220-E223 PolarHBondContact O-N 3.2Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 2.73Å; E223-K226 PolarHBondContact O-N 3.44Å; E223-I227 WeakPolarHBondContact O-CG1 3.42Å; E223-I227 PolarHBondContact O-N 2.86Å
224	R	97.6	Very high	97.2	Very high	27 Å²	27	61.3 Å²	61.3	10%	0.102	31%	0.308	C	S	.	.	H	α-helix	trans	-58.3	-45.7	175.4	-177	-172.9	-63.8	-101.7	2	110.8	I210 F219 P220 Q221 T228 N310 Y312 E313	I210-R224 HydrophobicContact CD1-CG 4.43Å; F219-R224 HydrophobicContact CB-CB 4.06Å; P220-R224 WeakPolarHBondContact O-CB 3.41Å; P220-R224 PolarHBondContact O-N 2.89Å; Q221-R224 WeakPolarHBondContact O-CB 3.3Å; Q221-R224 PolarHBondContact O-N 3.25Å; R224-T228 VanDerWaalsContact O-CB 3.31Å; R224-T228 WeakPolarHBondContact O-CB 3.46Å; R224-T228 PolarHBondContact O-N 3.14Å; R224-T228 PolarHBondContact O-OG1 3.32Å; R224-N310 PolarHBondContact NH1-ND2 3.27Å; R224-Y312 HydrophobicContact CG-CD1 4.1Å; R224-Y312 HydrophobicContact CG-CE1 4.06Å; R224-E313 IonicContact NH1-OE1 2.7Å
225	E	97.8	Very high	96.9	Very high	88 Å²	88	59.1 Å²	59.1	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-45.5	177.1	-76.5	174.2	-166.5	0	0	112.1	Q221 E223 I227 T228 K229 Y312	Q221-E225 PolarHBondContact NE2-OE1 2.97Å; Q221-E225 WeakPolarHBondContact O-CG 3.17Å; Q221-E225 PolarHBondContact O-N 3.12Å; E223-E225 VanDerWaalsContact C-N 3.31Å; E223-E225 PolarHBondContact O-N 2.73Å; E225-I227 PolarHBondContact O-N 3.37Å; E225-T228 PolarHBondContact O-N 3.27Å; E225-K229 WeakPolarHBondContact O-CB 3.11Å; E225-K229 PolarHBondContact O-N 3.06Å; E225-Y312 HydrophobicContact CG-CD2 4.41Å; E225-Y312 HydrophobicContact CG-CE2 3.54Å
226	K	97.9	Very high	96.6	Very high	131 Å²	131	60.2 Å²	60.2	57%	0.57	30%	0.303	S	S	*	.	H	α-helix	trans	-59.6	-46.7	176.9	-73	163.7	-172.7	158.4	0	112	D222 E223 R230	D222-K226 WeakPolarHBondContact O-CD 3.43Å; D222-K226 VanDerWaalsContact O-CG 3.24Å; D222-K226 WeakPolarHBondContact O-CG 3.44Å; D222-K226 PolarHBondContact O-N 3.09Å; D222-K226 IonicContact OD2-NZ 2.85Å; D222-K226 PolarHBondContact OD2-NZ 3.29Å; E223-K226 PolarHBondContact O-N 3.44Å; K226-R230 WeakPolarHBondContact O-CB 3.31Å; K226-R230 PolarHBondContact O-N 2.79Å
227	I	97.9	Very high	96.4	Very high	20 Å²	20	57.2 Å²	57.2	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-66	-44	179.1	-68.5	171	0	0	0	110.5	I182 A185 I210 F219 E223 E225 K229 R230 I231	I182-I227 HydrophobicContact CG1-CG2 4.35Å; A185-I227 HydrophobicContact CB-CD1 3.72Å; I210-I227 HydrophobicContact CD1-CG2 4Å; F219-I227 HydrophobicContact CD1-CD1 3.64Å; F219-I227 HydrophobicContact CD2-CD1 4.33Å; F219-I227 HydrophobicContact CE1-CD1 3.22Å; F219-I227 HydrophobicContact CE2-CD1 3.96Å; F219-I227 HydrophobicContact CG-CD1 4.17Å; F219-I227 HydrophobicContact CZ-CD1 3.39Å; E223-I227 WeakPolarHBondContact O-CG1 3.42Å; E223-I227 PolarHBondContact O-N 2.86Å; E225-I227 PolarHBondContact O-N 3.37Å; I227-K229 PolarHBondContact O-N 3.4Å; I227-R230 PolarHBondContact O-N 3.23Å; I227-I231 HydrophobicContact CG2-CD1 3.83Å; I227-I231 HydrophobicContact CG2-CG1 4.47Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.41Å; I227-I231 PolarHBondContact O-N 2.97Å
228	T	98.5	Very high	96.2	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-49.1	177.4	-59.5	0	0	0	0	111.1	P208 R224 E225 R230 I231 Q232 Y312 L316	P208-T228 HydrophobicContact CG-CG2 3.94Å; R224-T228 VanDerWaalsContact O-CB 3.31Å; R224-T228 WeakPolarHBondContact O-CB 3.46Å; R224-T228 PolarHBondContact O-N 3.14Å; R224-T228 PolarHBondContact O-OG1 3.32Å; E225-T228 PolarHBondContact O-N 3.27Å; T228-R230 PolarHBondContact O-N 3.35Å; T228-I231 PolarHBondContact O-N 3.11Å; T228-Q232 WeakPolarHBondContact O-CG 3.16Å; T228-Q232 PolarHBondContact O-N 3.07Å; T228-Y312 HydrophobicContact CG2-CE1 4.29Å; T228-L316 HydrophobicContact CG2-CD1 3.74Å
229	K	98.2	Very high	96	Very high	113 Å²	113	57.7 Å²	57.7	49%	0.491	29%	0.289	S	S	.	.	H	α-helix	trans	-60.2	-44.6	176.8	-175.6	176.9	179.2	-177.6	0	111.7	E225 I227 I231 Q232 E233	E225-K229 WeakPolarHBondContact O-CB 3.11Å; E225-K229 PolarHBondContact O-N 3.06Å; I227-K229 PolarHBondContact O-N 3.4Å; K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 2.9Å; K229-Q232 PolarHBondContact O-N 2.75Å; K229-E233 WeakPolarHBondContact CE-OE1 3.47Å; K229-E233 WeakPolarHBondContact CE-OE2 3.45Å; K229-E233 HydrophobicContact CG-CG 4.32Å; K229-E233 IonicContact NZ-OE1 3.95Å; K229-E233 WeakPolarHBondContact O-CB 3.44Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 3Å
230	R	98.2	Very high	95.8	Very high	101 Å²	101	64 Å²	64	38%	0.381	32%	0.319	S	S	.	.	H	α-helix	trans	-60.2	-40.1	176.6	-170.2	-179.4	-178.8	-160	-1.1	111.9	F181 K226 I227 T228 E233 A234 E237	F181-R230 HydrophobicContact CD2-CG 4.11Å; F181-R230 HydrophobicContact CE2-CG 3.88Å; F181-R230 HydrophobicContact CZ-CG 4.4Å; K226-R230 WeakPolarHBondContact O-CB 3.31Å; K226-R230 PolarHBondContact O-N 2.79Å; I227-R230 PolarHBondContact O-N 3.23Å; T228-R230 PolarHBondContact O-N 3.35Å; R230-E233 PolarHBondContact O-N 2.93Å; R230-A234 WeakPolarHBondContact O-CA 3.4Å; R230-A234 VanDerWaalsContact O-CB 3.27Å; R230-A234 WeakPolarHBondContact O-CB 3.08Å; R230-A234 PolarHBondContact O-N 3.43Å; R230-E237 IonicContact NE-OE2 3.86Å; R230-E237 PolarHBondContact NE-OE2 2.99Å; R230-E237 IonicContact NH2-OE1 3.4Å
231	I	98.3	Very high	95.7	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.5	-46	175.6	-67.6	163.5	0	0	0	110.6	S178 F181 I206 P208 I227 T228 K229 E233	S178-I231 WeakPolarHBondContact OG-CD1 3.4Å; F181-I231 HydrophobicContact CD2-CG1 3.74Å; F181-I231 HydrophobicContact CE2-CG1 4.39Å; I206-I231 HydrophobicContact CG2-CG2 3.97Å; P208-I231 HydrophobicContact CB-CD1 3.69Å; P208-I231 HydrophobicContact CB-CG2 4.3Å; P208-I231 HydrophobicContact CG-CB 4.21Å; P208-I231 HydrophobicContact CG-CD1 3.69Å; P208-I231 HydrophobicContact CG-CG2 4.1Å; I227-I231 HydrophobicContact CG2-CD1 3.83Å; I227-I231 HydrophobicContact CG2-CG1 4.47Å; I227-I231 VanDerWaalsContact O-CG1 3.3Å; I227-I231 WeakPolarHBondContact O-CG1 3.41Å; I227-I231 PolarHBondContact O-N 2.97Å; T228-I231 PolarHBondContact O-N 3.11Å; K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 2.9Å; I231-E233 VanDerWaalsContact C-N 3.33Å; I231-E233 PolarHBondContact O-N 2.78Å
232	Q	97.8	Very high	95.5	Very high	26 Å²	26	64.5 Å²	64.5	12%	0.121	33%	0.329	C	S	.	.	H	α-helix	trans	-63.6	-36.1	178.3	-70.3	176.1	-22.3	0	0	113	G203 I206 T228 K229	G203-Q232 WeakPolarHBondContact O-CG 3.05Å; I206-Q232 HydrophobicContact CB-CG 4.15Å; I206-Q232 WeakPolarHBondContact O-CG 3.46Å; I206-Q232 PolarHBondContact O-NE2 3.25Å; T228-Q232 WeakPolarHBondContact O-CG 3.16Å; T228-Q232 PolarHBondContact O-N 3.07Å; K229-Q232 PolarHBondContact O-N 2.75Å
233	E	95.8	Very high	95.1	Very high	93 Å²	93	65.3 Å²	65.3	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-98.6	-3.1	-174.5	-66.4	179.5	170	0	0	113.9	K229 R230 I231 G235 T236 E237	K229-E233 WeakPolarHBondContact CE-OE1 3.47Å; K229-E233 WeakPolarHBondContact CE-OE2 3.45Å; K229-E233 HydrophobicContact CG-CG 4.32Å; K229-E233 IonicContact NZ-OE1 3.95Å; K229-E233 WeakPolarHBondContact O-CB 3.44Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 3Å; R230-E233 PolarHBondContact O-N 2.93Å; I231-E233 VanDerWaalsContact C-N 3.33Å; I231-E233 PolarHBondContact O-N 2.78Å; E233-G235 PolarHBondContact O-N 3.16Å; E233-T236 WeakPolarHBondContact O-CA 3.31Å; E233-T236 VanDerWaalsContact O-CB 3.31Å; E233-T236 WeakPolarHBondContact O-CB 3.4Å; E233-T236 PolarHBondContact O-N 2.91Å; E233-E237 PolarHBondContact O-N 2.96Å
234	A	95.9	Very high	94.5	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.017	35%	0.349	C	S	.	.	H	α-helix	trans	-59.2	-23.5	-177	0	0	0	0	0	114.3	R177 F181 R230 V238	R177-A234 HydrophobicContact CG-CB 4.27Å; R177-A234 PolarHBondContact NH2-O 2.93Å; F181-A234 HydrophobicContact CE2-CB 3.91Å; F181-A234 HydrophobicContact CZ-CB 4.09Å; R230-A234 WeakPolarHBondContact O-CA 3.4Å; R230-A234 VanDerWaalsContact O-CB 3.27Å; R230-A234 WeakPolarHBondContact O-CB 3.08Å; R230-A234 PolarHBondContact O-N 3.43Å; A234-V238 WeakPolarHBondContact O-CG2 3.39Å; A234-V238 PolarHBondContact O-N 3.09Å
235	G	91.4	Very high	93.9	Very high	30 Å²	30	66.5 Å²	66.5	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-65.4	-46.9	169.6	0	0	0	0	0	112.2	E233 V238 V239	E233-G235 PolarHBondContact O-N 3.16Å; G235-V238 PolarHBondContact O-N 2.92Å; G235-V239 WeakPolarHBondContact O-CG2 3.4Å; G235-V239 PolarHBondContact O-N 3.16Å
236	T	90.6	Very high	93.4	Very high	76 Å²	76	63.1 Å²	63.1	47%	0.466	37%	0.369	S	S	.	.	H	α-helix	trans	-65.9	-44	177.7	-51.1	0	0	0	0	111	E233 V238 V239 E240	E233-T236 WeakPolarHBondContact O-CA 3.31Å; E233-T236 VanDerWaalsContact O-CB 3.31Å; E233-T236 WeakPolarHBondContact O-CB 3.4Å; E233-T236 PolarHBondContact O-N 2.91Å; T236-V238 PolarHBondContact O-N 3.46Å; T236-V239 WeakPolarHBondContact O-CB 3.34Å; T236-V239 PolarHBondContact O-N 3.47Å; T236-E240 HydrophobicContact CG2-CG 4.34Å; T236-E240 WeakPolarHBondContact CG2-OE1 3.4Å; T236-E240 WeakPolarHBondContact O-CG 3.39Å; T236-E240 PolarHBondContact O-N 2.87Å
237	E	93.3	Very high	92.9	Very high	85 Å²	85	59.2 Å²	59.2	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-52.3	-43.3	176.1	-172.6	-175.2	139.2	0	0	111.4	R230 E233 A241	R230-E237 IonicContact NE-OE2 3.86Å; R230-E237 PolarHBondContact NE-OE2 2.99Å; R230-E237 IonicContact NH2-OE1 3.4Å; E233-E237 PolarHBondContact O-N 2.96Å; E237-A241 VanDerWaalsContact O-CB 3.27Å; E237-A241 WeakPolarHBondContact O-CB 3.42Å; E237-A241 PolarHBondContact O-N 2.76Å
238	V	93.4	Very high	92.7	Very high	40 Å²	40	58.8 Å²	58.8	24%	0.242	36%	0.358	C	S	.	.	H	α-helix	trans	-70.5	-37.3	177.7	174.8	0	0	0	0	112.5	A234 G235 T236 E240 K242 A248	A234-V238 WeakPolarHBondContact O-CG2 3.39Å; A234-V238 PolarHBondContact O-N 3.09Å; G235-V238 PolarHBondContact O-N 2.92Å; T236-V238 PolarHBondContact O-N 3.46Å; V238-E240 VanDerWaalsContact C-N 3.35Å; V238-K242 HydrophobicContact CG1-CD 4.18Å; V238-K242 HydrophobicContact CG1-CG 4.44Å; V238-K242 WeakPolarHBondContact O-CB 3.27Å; V238-K242 VanDerWaalsContact O-CG 3.32Å; V238-K242 WeakPolarHBondContact O-CG 3.11Å; V238-K242 PolarHBondContact O-N 3.17Å; V238-A248 HydrophobicContact CG1-CB 4.1Å
239	V	89.7	Confident	92.7	Very high	56 Å²	56	60.3 Å²	60.3	34%	0.339	37%	0.367	S	S	.	.	H	α-helix	trans	-65.4	-42.2	177.4	171.5	0	0	0	0	110.6	G235 T236 K242 A243 G244	G235-V239 WeakPolarHBondContact O-CG2 3.4Å; G235-V239 PolarHBondContact O-N 3.16Å; T236-V239 WeakPolarHBondContact O-CB 3.34Å; T236-V239 PolarHBondContact O-N 3.47Å; V239-K242 CarbonylContact O-C 3.58Å; V239-K242 PolarHBondContact O-N 2.77Å; V239-A243 PolarHBondContact O-N 3.29Å; V239-G244 PolarHBondContact O-N 3.06Å
240	E	91.6	Very high	92.7	Very high	139 Å²	139	60.9 Å²	60.9	65%	0.65	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-47.1	175.8	-70	173.2	176	0	0	111.2	T236 V238 K242 A243	T236-E240 HydrophobicContact CG2-CG 4.34Å; T236-E240 WeakPolarHBondContact CG2-OE1 3.4Å; T236-E240 WeakPolarHBondContact O-CG 3.39Å; T236-E240 PolarHBondContact O-N 2.87Å; V238-E240 VanDerWaalsContact C-N 3.35Å; E240-K242 PolarHBondContact O-N 3.33Å; E240-A243 WeakPolarHBondContact O-CA 3.41Å; E240-A243 PolarHBondContact O-N 2.99Å
241	A	94.2	Very high	92.7	Very high	89 Å²	89	58.4 Å²	58.4	74%	0.736	37%	0.373	S	S	*	.	H	α-helix	trans	-62.2	-27.7	176.3	0	0	0	0	0	113.2	E237 A243	E237-A241 VanDerWaalsContact O-CB 3.27Å; E237-A241 WeakPolarHBondContact O-CB 3.42Å; E237-A241 PolarHBondContact O-N 2.76Å; A241-A243 VanDerWaalsContact C-N 3.3Å
242	K	92.6	Very high	92.7	Very high	78 Å²	78	58.7 Å²	58.7	34%	0.339	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	6.2	172.7	-73.4	-173	172.5	-165.4	0	113.7	V238 V239 E240 G244 A245 S247 T249	V238-K242 HydrophobicContact CG1-CD 4.18Å; V238-K242 HydrophobicContact CG1-CG 4.44Å; V238-K242 WeakPolarHBondContact O-CB 3.27Å; V238-K242 VanDerWaalsContact O-CG 3.32Å; V238-K242 WeakPolarHBondContact O-CG 3.11Å; V238-K242 PolarHBondContact O-N 3.17Å; V239-K242 CarbonylContact O-C 3.58Å; V239-K242 PolarHBondContact O-N 2.77Å; E240-K242 PolarHBondContact O-N 3.33Å; K242-G244 PolarHBondContact O-N 2.82Å; K242-G244 VanDerWaalsContact O-N 3.13Å; K242-A245 VanDerWaalsContact O-CB 3.24Å; K242-A245 WeakPolarHBondContact O-CB 3.28Å; K242-A245 PolarHBondContact O-N 3.4Å; K242-S247 WeakPolarHBondContact CE-O 3.35Å; K242-S247 PolarHBondContact NZ-O 2.82Å; K242-T249 PolarHBondContact NZ-OG1 2.83Å; K242-T249 VanDerWaalsContact NZ-OG1 3.15Å
243	A	90	Very high	92.7	Very high	96 Å²	96	57.4 Å²	57.4	79%	0.793	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.1	-177.1	0	0	0	0	0	113.2	V239 E240 A241 A245	V239-A243 PolarHBondContact O-N 3.29Å; E240-A243 WeakPolarHBondContact O-CA 3.41Å; E240-A243 PolarHBondContact O-N 2.99Å; A241-A243 VanDerWaalsContact C-N 3.3Å; A243-A245 VanDerWaalsContact C-N 3.29Å; A243-A245 PolarHBondContact O-N 3.31Å
244	G	83.7	Confident	92.9	Very high	40 Å²	40	58.9 Å²	58.9	41%	0.412	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.6	-178.8	0	0	0	0	0	115.7	V239 K242 G246	V239-G244 PolarHBondContact O-N 3.06Å; K242-G244 PolarHBondContact O-N 2.82Å; K242-G244 VanDerWaalsContact O-N 3.13Å; G244-G246 PolarHBondContact O-N 3.31Å
245	A	86.2	Confident	93	Very high	92 Å²	92	58.8 Å²	58.8	76%	0.76	37%	0.37	S	S	*	.	S	Bend	trans	-74.2	26.9	178	0	0	0	0	0	114.2	K242 A243	K242-A245 VanDerWaalsContact O-CB 3.24Å; K242-A245 WeakPolarHBondContact O-CB 3.28Å; K242-A245 PolarHBondContact O-N 3.4Å; A243-A245 VanDerWaalsContact C-N 3.29Å; A243-A245 PolarHBondContact O-N 3.31Å
246	G	85.8	Confident	93.4	Very high	18 Å²	18	57.4 Å²	57.4	19%	0.186	36%	0.356	C	S	.	.			trans	117.9	-175.7	-178.1	0	0	0	0	0	113.5	G244	G244-G246 PolarHBondContact O-N 3.31Å
247	S	88.9	Confident	93.7	Very high	48 Å²	48	54.7 Å²	54.7	34%	0.336	34%	0.339	S	S	.	.	S	Bend	trans	-111.5	-167.9	-178.2	60.6	0	0	0	0	111.7	K242 T249	K242-S247 WeakPolarHBondContact CE-O 3.35Å; K242-S247 PolarHBondContact NZ-O 2.82Å; S247-T249 PolarHBondContact O-N 3.29Å
248	A	93.7	Very high	94	Very high	11 Å²	11	53.7 Å²	53.7	9%	0.091	33%	0.332	C	S	.	.			trans	-58.3	119.8	174	0	0	0	0	0	111.3	L173 V238	L173-A248 HydrophobicContact CD2-CB 4.22Å; V238-A248 HydrophobicContact CG1-CB 4.1Å
249	T	97	Very high	94.3	Very high	33 Å²	33	51.8 Å²	51.8	20%	0.202	32%	0.32	C	S	.	.			trans	-112.4	-61.5	-179.8	46.1	0	0	0	0	110.8	G36 I37 K242 S247 M252 A253	G36-T249 VanDerWaalsContact O-CB 3.29Å; G36-T249 WeakPolarHBondContact O-CB 3.44Å; I37-T249 HydrophobicContact CG1-CG2 4.39Å; K242-T249 PolarHBondContact NZ-OG1 2.83Å; K242-T249 VanDerWaalsContact NZ-OG1 3.15Å; S247-T249 PolarHBondContact O-N 3.29Å; T249-M252 PolarHBondContact O-N 3.41Å; T249-A253 PolarHBondContact O-N 2.67Å
250	L	98.4	Very high	94.7	Very high	125 Å²	125	49.2 Å²	49.2	65%	0.654	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-46.9	-175.8	-55	-179.8	0	0	0	112.9	P40 M252 A253 Y254	P40-L250 HydrophobicContact CB-CD2 4.02Å; P40-L250 HydrophobicContact CG-CD2 4.05Å; L250-M252 VanDerWaalsContact C-N 3.31Å; L250-M252 PolarHBondContact O-N 3.42Å; L250-A253 WeakPolarHBondContact O-CB 3.25Å; L250-A253 PolarHBondContact O-N 3.23Å; L250-Y254 PolarHBondContact O-N 2.84Å
251	S	98.4	Very high	95	Very high	49 Å²	49	44.1 Å²	44.1	34%	0.343	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-31.9	177.4	51.2	0	0	0	0	112.3	Y254 A255	S251-Y254 PolarHBondContact O-N 3.36Å; S251-A255 WeakPolarHBondContact O-CB 3.29Å; S251-A255 PolarHBondContact O-N 3Å
252	M	98.3	Very high	95.2	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-68.8	-39.4	172.9	-170.6	63.5	-120.2	0	0	111.4	I37 I141 V170 L173 T249 L250 A255 G256	I37-M252 HydrophobicContact CD1-CB 4.23Å; I37-M252 HydrophobicContact CD1-CG 3.8Å; I37-M252 HydrophobicContact CG1-CB 4.18Å; I37-M252 HydrophobicContact CG1-CG 4.21Å; I37-M252 HydrophobicContact CG2-CB 4.44Å; I37-M252 HydrophobicContact CG2-CG 4.16Å; I141-M252 HydrophobicContact CD1-CE 4.16Å; I141-M252 HydrophobicContact CG1-CE 4.08Å; I141-M252 HydrophobicContact CG2-CE 3.92Å; I141-M252 HydrophobicContact CG2-CG 3.86Å; I141-M252 HydrophobicContact CG2-SD 4.16Å; V170-M252 HydrophobicContact CB-CE 4.5Å; V170-M252 HydrophobicContact CG1-CE 3.85Å; L173-M252 HydrophobicContact CB-CE 4.41Å; L173-M252 HydrophobicContact CB-SD 3.85Å; L173-M252 HydrophobicContact CD2-CB 4.17Å; L173-M252 HydrophobicContact CD2-SD 3.66Å; L173-M252 HydrophobicContact CG-SD 4.34Å; T249-M252 PolarHBondContact O-N 3.41Å; L250-M252 VanDerWaalsContact C-N 3.31Å; L250-M252 PolarHBondContact O-N 3.42Å; M252-A255 HydrophobicContact CE-CB 4.16Å; M252-A255 PolarHBondContact O-N 2.93Å; M252-G256 PolarHBondContact O-N 3.32Å
253	A	98.7	Very high	95.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-45.9	172.3	0	0	0	0	0	111.9	P40 L41 L44 T249 L250 A255 G256 V257	P40-A253 HydrophobicContact CB-CB 3.79Å; P40-A253 HydrophobicContact CG-CB 3.8Å; L41-A253 HydrophobicContact CB-CB 3.99Å; L41-A253 WeakPolarHBondContact CD1-O 3.42Å; L44-A253 HydrophobicContact CD1-CB 4.45Å; T249-A253 PolarHBondContact O-N 2.67Å; L250-A253 WeakPolarHBondContact O-CB 3.25Å; L250-A253 PolarHBondContact O-N 3.23Å; A253-A255 PolarHBondContact O-N 3.33Å; A253-G256 PolarHBondContact O-N 3.31Å; A253-V257 WeakPolarHBondContact O-CG2 3.46Å; A253-V257 PolarHBondContact O-N 3.19Å
254	Y	98.8	Very high	95.8	Very high	123 Å²	123	32.6 Å²	32.6	48%	0.482	20%	0.201	S	C	.	.	H	α-helix	trans	-56.1	-49	172.8	171.8	-94	0	0	0	112.1	V176 L250 S251 V257 R258	V176-Y254 HydrophobicContact CG1-CD1 4.2Å; V176-Y254 HydrophobicContact CG1-CE1 4.08Å; V176-Y254 HydrophobicContact CG2-CD1 4.23Å; V176-Y254 HydrophobicContact CG2-CE1 3.89Å; L250-Y254 PolarHBondContact O-N 2.84Å; S251-Y254 PolarHBondContact O-N 3.36Å; Y254-V257 PolarHBondContact O-N 2.8Å; Y254-R258 PolarHBondContact O-N 3.08Å
255	A	98.7	Very high	96.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-40.8	-179.7	0	0	0	0	0	112.6	T172 L173 V176 S251 M252 A253 R258 F259	T172-A255 HydrophobicContact CG2-CB 4.31Å; L173-A255 HydrophobicContact CB-CB 3.88Å; L173-A255 HydrophobicContact CD1-CB 4.19Å; V176-A255 HydrophobicContact CG2-CB 4.37Å; S251-A255 WeakPolarHBondContact O-CB 3.29Å; S251-A255 PolarHBondContact O-N 3Å; M252-A255 HydrophobicContact CE-CB 4.16Å; M252-A255 PolarHBondContact O-N 2.93Å; A253-A255 PolarHBondContact O-N 3.33Å; A255-R258 PolarHBondContact O-N 3.49Å; A255-F259 PolarHBondContact O-N 3.31Å; A255-F259 VanDerWaalsContact O-N 3.09Å
256	G	98.7	Very high	97.1	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-64.2	-43	176	0	0	0	0	0	112.6	M252 A253 F259 A260	M252-G256 PolarHBondContact O-N 3.32Å; A253-G256 PolarHBondContact O-N 3.31Å; G256-F259 PolarHBondContact O-N 2.89Å; G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.77Å
257	V	98.7	Very high	97.6	Very high	18 Å²	18	29.8 Å²	29.8	11%	0.109	16%	0.157	C	C	.	.	H	α-helix	trans	-65.3	-42.7	174.8	172.7	0	0	0	0	111.4	L41 L44 L45 A253 Y254 F259 A260 V261	L41-V257 HydrophobicContact CD1-CG2 3.54Å; L41-V257 HydrophobicContact CG-CG2 4.3Å; L44-V257 HydrophobicContact CB-CB 4.16Å; L44-V257 HydrophobicContact CB-CG1 4.16Å; L44-V257 HydrophobicContact CB-CG2 3.43Å; L44-V257 VanDerWaalsContact CB-CG2 3.43Å; L44-V257 HydrophobicContact CD1-CG2 4.2Å; L44-V257 HydrophobicContact CG-CG2 4.48Å; L45-V257 HydrophobicContact CD2-CG1 4.36Å; L45-V257 HydrophobicContact CD2-CG2 4.06Å; L45-V257 HydrophobicContact CG-CG2 3.81Å; A253-V257 WeakPolarHBondContact O-CG2 3.46Å; A253-V257 PolarHBondContact O-N 3.19Å; Y254-V257 PolarHBondContact O-N 2.8Å; V257-F259 VanDerWaalsContact C-N 3.3Å; V257-F259 PolarHBondContact O-N 3.44Å; V257-A260 PolarHBondContact O-N 3.41Å; V257-V261 HydrophobicContact CG1-CG2 3.93Å; V257-V261 WeakPolarHBondContact O-CB 3.37Å; V257-V261 VanDerWaalsContact O-CG2 3.32Å; V257-V261 WeakPolarHBondContact O-CG2 3.44Å; V257-V261 PolarHBondContact O-N 2.92Å
258	R	98.6	Very high	97.9	Very high	64 Å²	64	31.4 Å²	31.4	24%	0.242	17%	0.168	C	C	.	.	H	α-helix	trans	-53.7	-50	174.9	171.2	179.6	160.2	-178.3	-7.8	110.7	T172 Y254 A255 V261 S262 E275	T172-R258 HydrophobicContact CG2-CB 4.41Å; T172-R258 HydrophobicContact CG2-CG 4.19Å; Y254-R258 PolarHBondContact O-N 3.08Å; A255-R258 PolarHBondContact O-N 3.49Å; R258-V261 PolarHBondContact O-N 2.87Å; R258-S262 PolarHBondContact O-N 3.15Å; R258-S262 PolarHBondContact O-OG 2.76Å; R258-S262 VanDerWaalsContact O-OG 3.13Å; R258-E275 WeakPolarHBondContact CG-OE1 3.27Å; R258-E275 IonicContact CZ-OE1 2.67Å; R258-E275 IonicContact CZ-OE2 2.67Å; R258-E275 IonicContact NE-OE1 3.79Å; R258-E275 PolarHBondContact NE-OE1 3.04Å; R258-E275 IonicContact NE-OE2 2.73Å; R258-E275 PolarHBondContact NE-OE2 3.38Å; R258-E275 IonicContact NH2-OE1 3.42Å; R258-E275 IonicContact NH2-OE2 2.92Å; R258-E275 PolarHBondContact NH2-OE2 3.37Å
259	F	98.8	Very high	98	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.194	C	C	.	.	H	α-helix	trans	-62.8	-45.4	179.6	-168.8	-104.4	0	0	0	112.6	F168 V170 T172 A255 G256 V257 V261 S262 L263 E275 A277	F168-F259 HydrophobicContact CB-CE1 3.64Å; F168-F259 HydrophobicContact CB-CZ 3.76Å; F168-F259 HydrophobicContact CD1-CE1 4.21Å; F168-F259 AromaticContact CD1-CZ 3.64Å; F168-F259 HydrophobicContact CD1-CZ 3.64Å; F168-F259 HydrophobicContact CD2-CE1 4.34Å; F168-F259 HydrophobicContact CE1-CZ 4.32Å; F168-F259 AromaticContact CG-CE1 3.83Å; F168-F259 HydrophobicContact CG-CE1 3.83Å; F168-F259 AromaticContact CG-CZ 3.75Å; F168-F259 HydrophobicContact CG-CZ 3.75Å; V170-F259 HydrophobicContact CG1-CB 4.16Å; V170-F259 HydrophobicContact CG1-CG 4.36Å; V170-F259 HydrophobicContact CG2-CD1 3.94Å; V170-F259 HydrophobicContact CG2-CE1 4.37Å; T172-F259 WeakPolarHBondContact OG1-CD2 3.42Å; A255-F259 PolarHBondContact O-N 3.31Å; A255-F259 VanDerWaalsContact O-N 3.09Å; G256-F259 PolarHBondContact O-N 2.89Å; V257-F259 VanDerWaalsContact C-N 3.3Å; V257-F259 PolarHBondContact O-N 3.44Å; F259-V261 PolarHBondContact O-N 2.91Å; F259-S262 WeakPolarHBondContact O-CB 3.26Å; F259-S262 PolarHBondContact O-N 3.22Å; F259-L263 HydrophobicContact CD1-CD1 3.96Å; F259-L263 HydrophobicContact CE1-CD1 3.6Å; F259-L263 HydrophobicContact CE1-CG 4.21Å; F259-L263 HydrophobicContact CZ-CD1 4.32Å; F259-L263 PolarHBondContact O-N 3.35Å; F259-E275 HydrophobicContact CD2-CB 3.86Å; F259-E275 HydrophobicContact CD2-CG 4.07Å; F259-E275 HydrophobicContact CE2-CB 3.79Å; F259-E275 HydrophobicContact CE2-CG 4.39Å; F259-A277 HydrophobicContact CE2-CB 3.71Å; F259-A277 HydrophobicContact CZ-CB 3.71Å
260	A	98.6	Very high	98	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-41.8	178	0	0	0	0	0	112.3	L45 I98 G256 V257 L263 L264	L45-A260 HydrophobicContact CD2-CB 4.11Å; I98-A260 HydrophobicContact CD1-CB 3.6Å; I98-A260 HydrophobicContact CG1-CB 4.47Å; G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.77Å; V257-A260 PolarHBondContact O-N 3.41Å; A260-L263 WeakPolarHBondContact O-CB 2.81Å; A260-L263 PolarHBondContact O-N 2.92Å; A260-L264 VanDerWaalsContact O-CG 3.22Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.32Å
261	V	98.1	Very high	97.8	Very high	33 Å²	33	37.3 Å²	37.3	20%	0.2	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-43.8	175.4	168.3	0	0	0	0	110.7	L50 V257 R258 F259 L263 L264 E265	L50-V261 HydrophobicContact CD1-CG1 4.06Å; V257-V261 HydrophobicContact CG1-CG2 3.93Å; V257-V261 WeakPolarHBondContact O-CB 3.37Å; V257-V261 VanDerWaalsContact O-CG2 3.32Å; V257-V261 WeakPolarHBondContact O-CG2 3.44Å; V257-V261 PolarHBondContact O-N 2.92Å; R258-V261 PolarHBondContact O-N 2.87Å; F259-V261 PolarHBondContact O-N 2.91Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3.29Å; V261-L264 PolarHBondContact O-N 2.89Å; V261-L264 VanDerWaalsContact O-N 3.13Å; V261-E265 HydrophobicContact CG1-CG 4.18Å; V261-E265 WeakPolarHBondContact O-CB 3.4Å; V261-E265 WeakPolarHBondContact O-CG 3.25Å; V261-E265 PolarHBondContact O-N 3.41Å
262	S	98.5	Very high	97.7	Very high	14 Å²	14	38.4 Å²	38.4	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-56.3	-44.9	174	-67.3	0	0	0	0	111.5	R258 F259 E265 A266 V273 E275	R258-S262 PolarHBondContact O-N 3.15Å; R258-S262 PolarHBondContact O-OG 2.76Å; R258-S262 VanDerWaalsContact O-OG 3.13Å; F259-S262 WeakPolarHBondContact O-CB 3.26Å; F259-S262 PolarHBondContact O-N 3.22Å; S262-E265 PolarHBondContact O-N 2.91Å; S262-A266 WeakPolarHBondContact O-CB 3.41Å; S262-A266 PolarHBondContact O-N 2.97Å; S262-V273 WeakPolarHBondContact O-CG1 3.28Å; S262-E275 PolarHBondContact OG-OE1 2.93Å
263	L	98.5	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.3	-48.1	173.3	-76	169.7	0	0	0	112.3	M137 C139 F168 F259 A260 V261 E265 A266 M267 L295	M137-L263 HydrophobicContact CB-CD1 4.1Å; M137-L263 HydrophobicContact CG-CD2 4.45Å; C139-L263 WeakPolarHBondContact SG-CD1 3.34Å; F168-L263 HydrophobicContact CD2-CD1 4.37Å; F168-L263 HydrophobicContact CE1-CD2 4.39Å; F168-L263 HydrophobicContact CE2-CD1 4.33Å; F168-L263 HydrophobicContact CE2-CD2 3.95Å; F168-L263 HydrophobicContact CZ-CD2 3.79Å; F259-L263 HydrophobicContact CD1-CD1 3.96Å; F259-L263 HydrophobicContact CE1-CD1 3.6Å; F259-L263 HydrophobicContact CE1-CG 4.21Å; F259-L263 HydrophobicContact CZ-CD1 4.32Å; F259-L263 PolarHBondContact O-N 3.35Å; A260-L263 WeakPolarHBondContact O-CB 2.81Å; A260-L263 PolarHBondContact O-N 2.92Å; V261-L263 VanDerWaalsContact C-N 3.31Å; V261-L263 PolarHBondContact O-N 3.29Å; L263-E265 VanDerWaalsContact C-N 3.33Å; L263-E265 PolarHBondContact O-N 3.26Å; L263-A266 PolarHBondContact O-N 3.42Å; L263-M267 WeakPolarHBondContact O-CB 3.34Å; L263-M267 WeakPolarHBondContact O-CG 3.4Å; L263-M267 PolarHBondContact O-N 2.95Å; L263-L295 HydrophobicContact CD2-CD1 3.96Å; L263-L295 HydrophobicContact CD2-CD2 4.18Å; L263-L295 HydrophobicContact CG-CD1 4.26Å
264	L	97.9	Very high	97.7	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-39.7	-179.6	-67.3	167.8	0	0	0	112.3	P26 V28 L50 I51 V96 A260 V261 M267 S268	P26-L264 HydrophobicContact CB-CD2 3.68Å; P26-L264 HydrophobicContact CG-CD2 3.6Å; V28-L264 HydrophobicContact CG2-CD1 4.17Å; V28-L264 HydrophobicContact CG2-CD2 4.15Å; L50-L264 HydrophobicContact CB-CB 4.27Å; L50-L264 HydrophobicContact CB-CD1 4.26Å; L50-L264 HydrophobicContact CD1-CB 3.98Å; I51-L264 HydrophobicContact CD1-CD1 3.96Å; I51-L264 HydrophobicContact CG1-CD1 3.64Å; V96-L264 HydrophobicContact CG2-CD2 3.88Å; V96-L264 HydrophobicContact CG2-CG 4.42Å; A260-L264 VanDerWaalsContact O-CG 3.22Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.32Å; V261-L264 PolarHBondContact O-N 2.89Å; V261-L264 VanDerWaalsContact O-N 3.13Å; L264-M267 PolarHBondContact O-N 3.03Å; L264-S268 PolarHBondContact O-N 2.81Å
265	E	97.5	Very high	97.7	Very high	45 Å²	45	36.2 Å²	36.2	21%	0.21	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-46.4	174.9	-72	-175.3	160.6	0	0	111.5	L50 V261 S262 L263 M267 S268 G269 R270 V273	L50-E265 HydrophobicContact CD1-CG 3.61Å; V261-E265 HydrophobicContact CG1-CG 4.18Å; V261-E265 WeakPolarHBondContact O-CB 3.4Å; V261-E265 WeakPolarHBondContact O-CG 3.25Å; V261-E265 PolarHBondContact O-N 3.41Å; S262-E265 PolarHBondContact O-N 2.91Å; L263-E265 VanDerWaalsContact C-N 3.33Å; L263-E265 PolarHBondContact O-N 3.26Å; E265-M267 VanDerWaalsContact C-N 3.33Å; E265-M267 PolarHBondContact O-N 3.14Å; E265-S268 PolarHBondContact O-N 3.43Å; E265-S268 VanDerWaalsContact O-N 3.13Å; E265-S268 PolarHBondContact O-OG 3.38Å; E265-G269 PolarHBondContact O-N 2.58Å; E265-R270 HydrophobicContact CB-CB 4.08Å; E265-R270 WeakPolarHBondContact O-CB 3.28Å; E265-R270 PolarHBondContact O-N 3.19Å; E265-R270 IonicContact OE1-NH1 2.6Å; E265-R270 PolarHBondContact OE1-NH1 3.12Å; E265-R270 VanDerWaalsContact OE2-CD 3.25Å; E265-R270 WeakPolarHBondContact OE2-CD 3.37Å; E265-R270 IonicContact OE2-CZ 3.69Å; E265-R270 IonicContact OE2-NE 3.86Å; E265-R270 IonicContact OE2-NH1 3.37Å; E265-R270 PolarHBondContact OE2-NH1 3.41Å; E265-V273 HydrophobicContact CB-CG2 4.39Å
266	A	97.9	Very high	97.7	Very high	2 Å²	2	36.6 Å²	36.6	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-41.3	175	0	0	0	0	0	111.9	S262 L263 S268 G269 V273 L295	S262-A266 WeakPolarHBondContact O-CB 3.41Å; S262-A266 PolarHBondContact O-N 2.97Å; L263-A266 PolarHBondContact O-N 3.42Å; A266-S268 VanDerWaalsContact C-N 3.27Å; A266-S268 PolarHBondContact O-N 3.02Å; A266-G269 WeakPolarHBondContact O-CA 3.3Å; A266-G269 PolarHBondContact O-N 2.98Å; A266-V273 HydrophobicContact CB-CB 4.2Å; A266-V273 HydrophobicContact CB-CG1 4.46Å; A266-V273 HydrophobicContact CB-CG2 4.28Å; A266-L295 HydrophobicContact CB-CB 3.71Å
267	M	97	Very high	97.7	Very high	43 Å²	43	36.5 Å²	36.5	21%	0.212	23%	0.234	C	C	.	.	H	α-helix	trans	-59.6	-35.2	173.1	-71.8	176.8	69.7	0	0	112.9	N95 V96 M137 L263 L264 E265 G269	N95-M267 HydrophobicContact CB-CE 3.84Å; V96-M267 HydrophobicContact CG2-SD 4.05Å; M137-M267 HydrophobicContact CE-CG 4.47Å; M137-M267 HydrophobicContact CE-SD 4.41Å; M137-M267 HydrophobicContact CG-SD 4.05Å; L263-M267 WeakPolarHBondContact O-CB 3.34Å; L263-M267 WeakPolarHBondContact O-CG 3.4Å; L263-M267 PolarHBondContact O-N 2.95Å; L264-M267 PolarHBondContact O-N 3.03Å; E265-M267 VanDerWaalsContact C-N 3.33Å; E265-M267 PolarHBondContact O-N 3.14Å; M267-G269 PolarHBondContact O-N 2.71Å
268	S	95.5	Very high	97.7	Very high	82 Å²	82	35.6 Å²	35.6	57%	0.573	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-3.9	173.8	77.5	0	0	0	0	114.4	L264 E265 A266	L264-S268 PolarHBondContact O-N 2.81Å; E265-S268 PolarHBondContact O-N 3.43Å; E265-S268 VanDerWaalsContact O-N 3.13Å; E265-S268 PolarHBondContact O-OG 3.38Å; A266-S268 VanDerWaalsContact C-N 3.27Å; A266-S268 PolarHBondContact O-N 3.02Å
269	G	95.1	Very high	97.8	Very high	61 Å²	61	32.7 Å²	32.7	63%	0.629	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.8	12.6	-179.9	0	0	0	0	0	114.7	E265 A266 M267 A271	E265-G269 PolarHBondContact O-N 2.58Å; A266-G269 WeakPolarHBondContact O-CA 3.3Å; A266-G269 PolarHBondContact O-N 2.98Å; M267-G269 PolarHBondContact O-N 2.71Å; G269-A271 PolarHBondContact O-N 2.61Å
270	R	96.5	Very high	97.8	Very high	140 Å²	140	35.9 Å²	35.9	53%	0.528	23%	0.233	S	C	.	.			trans	-64.9	117.5	172.2	-174.7	-178.8	179.1	159.7	2.8	109.1	E265 V273	E265-R270 HydrophobicContact CB-CB 4.08Å; E265-R270 WeakPolarHBondContact O-CB 3.28Å; E265-R270 PolarHBondContact O-N 3.19Å; E265-R270 IonicContact OE1-NH1 2.6Å; E265-R270 PolarHBondContact OE1-NH1 3.12Å; E265-R270 VanDerWaalsContact OE2-CD 3.25Å; E265-R270 WeakPolarHBondContact OE2-CD 3.37Å; E265-R270 IonicContact OE2-CZ 3.69Å; E265-R270 IonicContact OE2-NE 3.86Å; E265-R270 IonicContact OE2-NH1 3.37Å; E265-R270 PolarHBondContact OE2-NH1 3.41Å; R270-V273 HydrophobicContact CB-CG2 4.02Å; R270-V273 HydrophobicContact CG-CG2 3.86Å; R270-V273 WeakPolarHBondContact O-CG2 3.49Å
271	A	95.2	Very high	97.7	Very high	92 Å²	92	36.5 Å²	36.5	76%	0.76	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	155.2	175.9	0	0	0	0	0	112.1	G269 V273	G269-A271 PolarHBondContact O-N 2.61Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 2.91Å
272	G	96.8	Very high	97.7	Very high	73 Å²	73	41.7 Å²	41.7	75%	0.753	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	18.2	171.9	0	0	0	0	0	114.9	V274	G272-V274 PolarHBondContact O-N 3.13Å
273	V	98.4	Very high	97.7	Very high	9 Å²	9	43.1 Å²	43.1	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	120.2	173.3	-177.5	0	0	0	0	108.9	S262 E265 A266 R270 A271 L295	S262-V273 WeakPolarHBondContact O-CG1 3.28Å; E265-V273 HydrophobicContact CB-CG2 4.39Å; A266-V273 HydrophobicContact CB-CB 4.2Å; A266-V273 HydrophobicContact CB-CG1 4.46Å; A266-V273 HydrophobicContact CB-CG2 4.28Å; R270-V273 HydrophobicContact CB-CG2 4.02Å; R270-V273 HydrophobicContact CG-CG2 3.86Å; R270-V273 WeakPolarHBondContact O-CG2 3.49Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 2.91Å; V273-L295 HydrophobicContact CB-CB 4.41Å; V273-L295 HydrophobicContact CG1-CB 4.26Å; V273-L295 HydrophobicContact CG1-CD1 4.14Å; V273-L295 PolarHBondContact O-N 3.41Å
274	V	98.5	Very high	97.6	Very high	63 Å²	63	44.2 Å²	44.2	38%	0.382	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129.6	-179.5	179.7	0	0	0	0	110	G272 P292 L293 M304	G272-V274 PolarHBondContact O-N 3.13Å; V274-P292 HydrophobicContact CG1-CB 3.95Å; V274-L293 VanDerWaalsContact CA-O 3.29Å; V274-L293 WeakPolarHBondContact CA-O 3.32Å; V274-M304 HydrophobicContact CG1-SD 3.71Å; V274-M304 HydrophobicContact CG2-SD 4Å
275	E	98.8	Very high	97.6	Very high	10 Å²	10	49.9 Å²	49.9	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.9	172.8	-71	-69.9	-172.6	0	0	110.5	R258 F259 S262 L293 L295	R258-E275 WeakPolarHBondContact CG-OE1 3.27Å; R258-E275 IonicContact CZ-OE1 2.67Å; R258-E275 IonicContact CZ-OE2 2.67Å; R258-E275 IonicContact NE-OE1 3.79Å; R258-E275 PolarHBondContact NE-OE1 3.04Å; R258-E275 IonicContact NE-OE2 2.73Å; R258-E275 PolarHBondContact NE-OE2 3.38Å; R258-E275 IonicContact NH2-OE1 3.42Å; R258-E275 IonicContact NH2-OE2 2.92Å; R258-E275 PolarHBondContact NH2-OE2 3.37Å; F259-E275 HydrophobicContact CD2-CB 3.86Å; F259-E275 HydrophobicContact CD2-CG 4.07Å; F259-E275 HydrophobicContact CE2-CB 3.79Å; F259-E275 HydrophobicContact CE2-CG 4.39Å; S262-E275 PolarHBondContact OG-OE1 2.93Å; E275-L293 PolarHBondContact N-O 3.19Å; E275-L293 VanDerWaalsContact N-O 3.17Å; E275-L293 PolarHBondContact O-N 3.24Å; E275-L295 HydrophobicContact CB-CD1 4.28Å; E275-L295 HydrophobicContact CG-CD1 4.29Å
276	C	98.8	Very high	97.6	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.054	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.2	166.3	-65.2	0	0	0	0	110.3	T171 V175 V197 T291	T171-C276 PolarHBondContact OG1-O 2.91Å; V175-C276 HydrophobicContact CG2-CB 3.89Å; V197-C276 WeakPolarHBondContact O-CB 3.38Å; V197-C276 PolarHBondContact O-SG 3.34Å; C276-T291 WeakPolarHBondContact CA-O 3.34Å
277	A	98.9	Very high	97.6	Very high	0 Å²	0	52 Å²	52	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	150.6	171.6	0	0	0	0	0	111.4	F168 G169 F259 V279 S290 T291 L293	F168-A277 HydrophobicContact CB-CB 4.4Å; F168-A277 HydrophobicContact CD1-CB 4.2Å; G169-A277 WeakPolarHBondContact O-CA 3.22Å; F259-A277 HydrophobicContact CE2-CB 3.71Å; F259-A277 HydrophobicContact CZ-CB 3.71Å; A277-V279 HydrophobicContact CB-CG1 4.24Å; A277-V279 PolarHBondContact O-N 3.1Å; A277-S290 VanDerWaalsContact O-CA 3.31Å; A277-S290 WeakPolarHBondContact O-CA 3.4Å; A277-S290 PolarHBondContact O-OG 2.61Å; A277-T291 PolarHBondContact N-O 3.44Å; A277-L293 HydrophobicContact CB-CD1 3.95Å
278	F	98.9	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	109.2	176.1	-171.5	-106.2	0	0	0	110.2	V145 V149 G169 T171 G199 F288 L324 I328	V145-F278 HydrophobicContact CG1-CB 4.26Å; V145-F278 HydrophobicContact CG1-CD1 4.29Å; V149-F278 HydrophobicContact CB-CD1 3.9Å; V149-F278 HydrophobicContact CB-CE1 4.2Å; V149-F278 HydrophobicContact CG1-CD1 4.05Å; V149-F278 HydrophobicContact CG1-CE1 4.42Å; V149-F278 HydrophobicContact CG2-CD1 4.1Å; G169-F278 PolarHBondContact N-O 3.3Å; G169-F278 PolarHBondContact O-N 3.03Å; T171-F278 HydrophobicContact CG2-CB 3.8Å; G199-F278 VanDerWaalsContact O-CD2 3.31Å; G199-F278 WeakPolarHBondContact O-CD2 3.43Å; G199-F278 WeakPolarHBondContact O-CE2 3.49Å; F278-F288 HydrophobicContact CD1-CB 4.2Å; F278-F288 HydrophobicContact CE1-CB 3.42Å; F278-F288 VanDerWaalsContact CE1-CB 3.42Å; F278-F288 HydrophobicContact CE1-CG 4.18Å; F278-F288 HydrophobicContact CE2-CB 3.96Å; F278-F288 WeakPolarHBondContact CE2-O 3.45Å; F278-F288 HydrophobicContact CZ-CB 3.27Å; F278-F288 HydrophobicContact CZ-CG 4.43Å; F278-L324 HydrophobicContact CE2-CD1 3.73Å; F278-L324 HydrophobicContact CE2-CD2 4.1Å; F278-L324 HydrophobicContact CE2-CG 4.35Å; F278-L324 HydrophobicContact CZ-CD1 3.82Å; F278-I328 HydrophobicContact CZ-CD1 4.3Å; F278-I328 HydrophobicContact CZ-CG1 4.25Å
279	V	98.9	Very high	97.9	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	167.7	-172	-63.7	0	0	0	0	110.9	F168 A277 S281 F288 F289 L293	F168-V279 HydrophobicContact CD1-CG1 3.81Å; F168-V279 HydrophobicContact CE1-CG1 4.47Å; A277-V279 HydrophobicContact CB-CG1 4.24Å; A277-V279 PolarHBondContact O-N 3.1Å; V279-S281 PolarHBondContact O-N 3.26Å; V279-F288 CarbonylContact O-C 3.58Å; V279-F288 WeakPolarHBondContact O-CA 3.27Å; V279-F289 PolarHBondContact N-O 3.04Å; V279-F289 PolarHBondContact O-N 2.97Å; V279-L293 HydrophobicContact CB-CD1 4.3Å; V279-L293 HydrophobicContact CG1-CD1 3.51Å; V279-L293 HydrophobicContact CG2-CD1 3.78Å; V279-L293 HydrophobicContact CG2-CD2 3.96Å; V279-L293 HydrophobicContact CG2-CG 4.5Å
280	E	98.7	Very high	98	Very high	68 Å²	68	43.2 Å²	43.2	32%	0.318	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	130.3	167.3	-171.4	173.4	110.9	0	0	108.4	K157 Y162 P164 E287 F288	K157-E280 IonicContact NZ-OE2 3.69Å; K157-E280 PolarHBondContact NZ-OE2 3.42Å; Y162-E280 VanDerWaalsContact CE1-OE2 3.22Å; Y162-E280 WeakPolarHBondContact CE1-OE2 3.46Å; Y162-E280 WeakPolarHBondContact OH-CB 3.49Å; Y162-E280 PolarHBondContact OH-OE2 2.85Å; P164-E280 HydrophobicContact CB-CB 4.08Å; E280-E287 WeakPolarHBondContact CA-O 3.22Å; E280-F288 HydrophobicContact CB-CD1 4.13Å; E280-F288 HydrophobicContact CB-CE1 3.81Å; E280-F288 HydrophobicContact CB-CZ 4.33Å; E280-F288 HydrophobicContact CG-CE1 4.48Å
281	S	98.3	Very high	98.2	Very high	13 Å²	13	36.6 Å²	36.6	9%	0.091	22%	0.223	C	C	.	.			trans	-154.4	146.9	-164.6	177.2	0	0	0	0	111.3	V279 V283 E287 N303	V279-S281 PolarHBondContact O-N 3.26Å; S281-V283 WeakPolarHBondContact OG-CG2 3.37Å; S281-V283 PolarHBondContact OG-N 3.05Å; S281-E287 PolarHBondContact N-O 3.09Å; S281-N303 PolarHBondContact OG-ND2 3.36Å
282	D	97.2	Very high	98.3	Very high	143 Å²	143	33 Å²	33	77%	0.765	19%	0.192	S	C	*	.			trans	-113.8	3.9	178.1	61.6	-10.4	0	0	0	113	T284	D282-T284 PolarHBondContact O-N 2.78Å; D282-T284 VanDerWaalsContact O-N 3.15Å
283	V	97.5	Very high	98.4	Very high	43 Å²	43	29.6 Å²	29.6	26%	0.261	16%	0.156	S	C	.	.	S	Bend	trans	-67.3	-12.4	-178.7	-52.8	0	0	0	0	114.2	S281 F289 T291 I306	S281-V283 WeakPolarHBondContact OG-CG2 3.37Å; S281-V283 PolarHBondContact OG-N 3.05Å; V283-F289 HydrophobicContact CG2-CB 4.22Å; V283-F289 HydrophobicContact CG2-CD1 3.89Å; V283-F289 HydrophobicContact CG2-CG 4.22Å; V283-T291 HydrophobicContact CG2-CG2 3.92Å; V283-I306 HydrophobicContact CG2-CD1 4.47Å; V283-I306 HydrophobicContact CG2-CG1 4.32Å
284	T	97.6	Very high	98.4	Very high	24 Å²	24	30.2 Å²	30.2	15%	0.147	16%	0.163	C	C	.	.	S	Bend	trans	-145.5	179.3	174.1	67.3	0	0	0	0	109	D282 C286 F289 I306 I321	D282-T284 PolarHBondContact O-N 2.78Å; D282-T284 VanDerWaalsContact O-N 3.15Å; T284-C286 PolarHBondContact O-N 3.43Å; T284-C286 WeakPolarHBondContact OG1-CB 3.48Å; T284-C286 PolarHBondContact OG1-N 3.46Å; T284-C286 VanDerWaalsContact OG1-N 3.14Å; T284-F289 HydrophobicContact CG2-CD1 4.48Å; T284-F289 HydrophobicContact CG2-CD2 3.97Å; T284-F289 HydrophobicContact CG2-CE1 4.33Å; T284-F289 HydrophobicContact CG2-CE2 3.81Å; T284-F289 HydrophobicContact CG2-CG 4.31Å; T284-F289 HydrophobicContact CG2-CZ 3.99Å; T284-F289 WeakPolarHBondContact OG1-CD2 3.38Å; T284-I306 HydrophobicContact CG2-CD1 3.58Å; T284-I321 HydrophobicContact CG2-CD1 4.06Å
285	E	97.2	Very high	98.4	Very high	125 Å²	125	27.4 Å²	27.4	58%	0.584	15%	0.145	S	C	*	.	S	Bend	trans	-74.7	4.8	171.2	68.1	-91.6	-142.6	0	0	115	I321 K325	E285-I321 HydrophobicContact CG-CG2 3.98Å; E285-I321 WeakPolarHBondContact OE1-CG2 3.4Å; E285-K325 VanDerWaalsContact O-CE 3.23Å; E285-K325 WeakPolarHBondContact O-CE 3.3Å
286	C	98.2	Very high	98.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.02	15%	0.148	C	C	.	.	S	Bend	trans	-91.6	127.8	169.4	-68.1	0	0	0	0	110.3	T284 F288 F289 I321 L324 I328	T284-C286 PolarHBondContact O-N 3.43Å; T284-C286 WeakPolarHBondContact OG1-CB 3.48Å; T284-C286 PolarHBondContact OG1-N 3.46Å; T284-C286 VanDerWaalsContact OG1-N 3.14Å; C286-F288 WeakPolarHBondContact CB-O 3.44Å; C286-F288 PolarHBondContact O-N 3.45Å; C286-F288 VanDerWaalsContact O-N 3.12Å; C286-F289 HydrophobicContact CB-CD2 4.24Å; C286-I321 VanDerWaalsContact SG-CD1 3.6Å; C286-L324 HydrophobicContact CB-CD2 4.26Å; C286-I328 HydrophobicContact CB-CD1 3.97Å
287	E	98.2	Very high	98.3	Very high	90 Å²	90	29.5 Å²	29.5	42%	0.421	17%	0.166	S	C	.	.	S	Bend	trans	-60	-24	178.5	-63.1	179.7	-93	0	0	113.5	E280 S281 K332	E280-E287 WeakPolarHBondContact CA-O 3.22Å; S281-E287 PolarHBondContact N-O 3.09Å; E287-K332 WeakPolarHBondContact OE1-CD 3.37Å; E287-K332 IonicContact OE1-NZ 3.42Å; E287-K332 PolarHBondContact OE1-NZ 2.89Å; E287-K332 IonicContact OE2-NZ 3.88Å; E287-K332 PolarHBondContact OE2-NZ 3.27Å
288	F	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.8	174.6	-64.1	-97.1	0	0	0	109.9	V149 P150 A153 F278 V279 E280 C286 I328	V149-F288 HydrophobicContact CG1-CD1 3.72Å; V149-F288 HydrophobicContact CG1-CE1 3.88Å; P150-F288 HydrophobicContact CB-CD2 4.31Å; P150-F288 HydrophobicContact CB-CE2 4.08Å; P150-F288 HydrophobicContact CG-CD2 3.84Å; P150-F288 HydrophobicContact CG-CE2 4.1Å; P150-F288 HydrophobicContact CG-CG 4.23Å; A153-F288 HydrophobicContact CB-CE1 3.96Å; A153-F288 HydrophobicContact CB-CZ 3.5Å; F278-F288 HydrophobicContact CD1-CB 4.2Å; F278-F288 HydrophobicContact CE1-CB 3.42Å; F278-F288 VanDerWaalsContact CE1-CB 3.42Å; F278-F288 HydrophobicContact CE1-CG 4.18Å; F278-F288 HydrophobicContact CE2-CB 3.96Å; F278-F288 WeakPolarHBondContact CE2-O 3.45Å; F278-F288 HydrophobicContact CZ-CB 3.27Å; F278-F288 HydrophobicContact CZ-CG 4.43Å; V279-F288 CarbonylContact O-C 3.58Å; V279-F288 WeakPolarHBondContact O-CA 3.27Å; E280-F288 HydrophobicContact CB-CD1 4.13Å; E280-F288 HydrophobicContact CB-CE1 3.81Å; E280-F288 HydrophobicContact CB-CZ 4.33Å; E280-F288 HydrophobicContact CG-CE1 4.48Å; C286-F288 WeakPolarHBondContact CB-O 3.44Å; C286-F288 PolarHBondContact O-N 3.45Å; C286-F288 VanDerWaalsContact O-N 3.12Å; F288-I328 HydrophobicContact CB-CD1 3.96Å; F288-I328 HydrophobicContact CB-CG1 4.29Å; F288-I328 HydrophobicContact CD2-CD1 4.48Å; F288-I328 HydrophobicContact CD2-CG1 4.41Å; F288-I328 HydrophobicContact CD2-CG2 3.99Å; F288-I328 WeakPolarHBondContact O-CD1 3.44Å
289	F	98.8	Very high	98.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	144.2	-178	-155.5	-91.8	0	0	0	111	I198 G199 V279 V283 T284 C286 T291 I306 L317 L320 I321 L324	I198-F289 HydrophobicContact CB-CE1 4.07Å; I198-F289 HydrophobicContact CD1-CE1 4.32Å; I198-F289 HydrophobicContact CG1-CE1 4.32Å; G199-F289 VanDerWaalsContact CA-CZ 3.42Å; G199-F289 VanDerWaalsContact N-CE1 3.31Å; V279-F289 PolarHBondContact N-O 3.04Å; V279-F289 PolarHBondContact O-N 2.97Å; V283-F289 HydrophobicContact CG2-CB 4.22Å; V283-F289 HydrophobicContact CG2-CD1 3.89Å; V283-F289 HydrophobicContact CG2-CG 4.22Å; T284-F289 HydrophobicContact CG2-CD1 4.48Å; T284-F289 HydrophobicContact CG2-CD2 3.97Å; T284-F289 HydrophobicContact CG2-CE1 4.33Å; T284-F289 HydrophobicContact CG2-CE2 3.81Å; T284-F289 HydrophobicContact CG2-CG 4.31Å; T284-F289 HydrophobicContact CG2-CZ 3.99Å; T284-F289 WeakPolarHBondContact OG1-CD2 3.38Å; C286-F289 HydrophobicContact CB-CD2 4.24Å; F289-T291 HydrophobicContact CD1-CG2 3.99Å; F289-T291 HydrophobicContact CE1-CG2 4.34Å; F289-I306 HydrophobicContact CE1-CD1 4.28Å; F289-I306 HydrophobicContact CE1-CG1 4.29Å; F289-I306 HydrophobicContact CZ-CD1 4.48Å; F289-L317 HydrophobicContact CE2-CD1 4.12Å; F289-L317 HydrophobicContact CZ-CD1 3.59Å; F289-L320 HydrophobicContact CE2-CD1 3.78Å; F289-L320 HydrophobicContact CZ-CD1 4.21Å; F289-I321 HydrophobicContact CD2-CD1 4.42Å; F289-I321 HydrophobicContact CE2-CD1 3.82Å; F289-L324 HydrophobicContact CD2-CD2 3.54Å; F289-L324 HydrophobicContact CE2-CD2 3.88Å; F289-L324 HydrophobicContact CG-CD2 4.5Å
290	S	98.9	Very high	98.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127.6	174.5	-171.4	0	0	0	0	110.5	T171 I198 G199 A277	T171-S290 PolarHBondContact OG1-OG 3.41Å; T171-S290 VanDerWaalsContact OG1-OG 3.06Å; I198-S290 CarbonylContact C-O 3.58Å; I198-S290 WeakPolarHBondContact CA-O 3.35Å; I198-S290 WeakPolarHBondContact CB-O 3.5Å; G199-S290 PolarHBondContact N-O 3.48Å; G199-S290 WeakPolarHBondContact O-CB 3.3Å; G199-S290 PolarHBondContact O-N 3.29Å; A277-S290 VanDerWaalsContact O-CA 3.31Å; A277-S290 WeakPolarHBondContact O-CA 3.4Å; A277-S290 PolarHBondContact O-OG 2.61Å
291	T	98.8	Very high	98.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	164.8	176.7	37.3	0	0	0	0	108.9	I198 C276 A277 V283 F289 L293 N303 G305 I306	I198-T291 HydrophobicContact CG2-CG2 4.49Å; C276-T291 WeakPolarHBondContact CA-O 3.34Å; A277-T291 PolarHBondContact N-O 3.44Å; V283-T291 HydrophobicContact CG2-CG2 3.92Å; F289-T291 HydrophobicContact CD1-CG2 3.99Å; F289-T291 HydrophobicContact CE1-CG2 4.34Å; T291-L293 WeakPolarHBondContact O-CG 3.33Å; T291-L293 PolarHBondContact O-N 3.03Å; T291-N303 PolarHBondContact OG1-ND2 2.94Å; T291-N303 PolarHBondContact OG1-OD1 3.31Å; T291-G305 WeakPolarHBondContact CG2-O 3.4Å; T291-I306 HydrophobicContact CG2-CG1 4.29Å
292	P	98.8	Very high	98.1	Very high	18 Å²	18	46 Å²	46	12%	0.117	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.9	167.9	-17.3	31.1	0	0	0	110.5	P196 V274 M304	P196-P292 HydrophobicContact CB-CG 3.92Å; V274-P292 HydrophobicContact CG1-CB 3.95Å; P292-M304 HydrophobicContact CB-CB 4.19Å; P292-M304 HydrophobicContact CB-CG 4.45Å; P292-M304 HydrophobicContact CB-SD 4.1Å; P292-M304 WeakPolarHBondContact O-CB 3.2Å; P292-M304 WeakPolarHBondContact O-CG 3.42Å; P292-M304 PolarHBondContact O-N 3.05Å
293	L	98.8	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.6	-178.8	-53.1	175.6	0	0	0	108.9	V274 E275 A277 V279 T291 L295 V300 K302 N303	V274-L293 VanDerWaalsContact CA-O 3.29Å; V274-L293 WeakPolarHBondContact CA-O 3.32Å; E275-L293 PolarHBondContact N-O 3.19Å; E275-L293 VanDerWaalsContact N-O 3.17Å; E275-L293 PolarHBondContact O-N 3.24Å; A277-L293 HydrophobicContact CB-CD1 3.95Å; V279-L293 HydrophobicContact CB-CD1 4.3Å; V279-L293 HydrophobicContact CG1-CD1 3.51Å; V279-L293 HydrophobicContact CG2-CD1 3.78Å; V279-L293 HydrophobicContact CG2-CD2 3.96Å; V279-L293 HydrophobicContact CG2-CG 4.5Å; T291-L293 WeakPolarHBondContact O-CG 3.33Å; T291-L293 PolarHBondContact O-N 3.03Å; L293-L295 HydrophobicContact CB-CD2 4.25Å; L293-L295 PolarHBondContact O-N 3.2Å; L293-V300 HydrophobicContact CB-CG1 4.4Å; L293-V300 HydrophobicContact CD1-CG2 3.87Å; L293-V300 HydrophobicContact CD2-CG1 4.24Å; L293-K302 WeakPolarHBondContact CA-O 3.42Å; L293-N303 HydrophobicContact CD2-CB 3.95Å
294	A	98.6	Very high	98.2	Very high	22 Å²	22	44.2 Å²	44.2	18%	0.182	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.3	163	0	0	0	0	0	108.4	E301 K302	A294-E301 PolarHBondContact O-N 2.99Å; A294-K302 HydrophobicContact CB-CB 4.08Å; A294-K302 PolarHBondContact N-O 2.97Å; A294-K302 PolarHBondContact O-N 2.99Å
295	L	98.7	Very high	98.2	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.7	179.7	-57.1	178.6	0	0	0	109.8	F168 L263 A266 V273 E275 L293	F168-L295 HydrophobicContact CE1-CD2 3.99Å; F168-L295 HydrophobicContact CZ-CD2 4.45Å; L263-L295 HydrophobicContact CD2-CD1 3.96Å; L263-L295 HydrophobicContact CD2-CD2 4.18Å; L263-L295 HydrophobicContact CG-CD1 4.26Å; A266-L295 HydrophobicContact CB-CB 3.71Å; V273-L295 HydrophobicContact CB-CB 4.41Å; V273-L295 HydrophobicContact CG1-CB 4.26Å; V273-L295 HydrophobicContact CG1-CD1 4.14Å; V273-L295 PolarHBondContact O-N 3.41Å; E275-L295 HydrophobicContact CB-CD1 4.28Å; E275-L295 HydrophobicContact CG-CD1 4.29Å; L293-L295 HydrophobicContact CB-CD2 4.25Å; L293-L295 PolarHBondContact O-N 3.2Å
296	G	98	Very high	98.3	Very high	9 Å²	9	39.2 Å²	39.2	9%	0.093	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	-166.2	177.2	0	0	0	0	0	112.3	E298 G299	G296-E298 PolarHBondContact O-N 3.42Å; G296-G299 PolarHBondContact N-O 2.95Å; G296-G299 PolarHBondContact O-N 2.97Å
297	A	96.7	Very high	98.2	Very high	53 Å²	53	41.7 Å²	41.7	44%	0.438	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-33	-174.1	0	0	0	0	0	114.1
298	E	97	Very high	98.2	Very high	127 Å²	127	46.2 Å²	46.2	59%	0.593	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	22.8	-174.2	-57.4	-66.1	105.1	0	0	112.4	R166 G296	R166-E298 IonicContact CZ-OE2 2.92Å; R166-E298 IonicContact NH2-OE1 3.69Å; R166-E298 IonicContact NH2-OE2 3.98Å; R166-E298 PolarHBondContact NH2-OE2 3.43Å; G296-E298 PolarHBondContact O-N 3.42Å
299	G	98.2	Very high	98.2	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.8	-133.1	175.3	0	0	0	0	0	112	M137 K165 G296 E301	M137-G299 VanDerWaalsContact CE-CA 3.47Å; K165-G299 CarbonylContact O-C 3.59Å; K165-G299 VanDerWaalsContact O-CA 3.3Å; K165-G299 WeakPolarHBondContact O-CA 3.24Å; G296-G299 PolarHBondContact N-O 2.95Å; G296-G299 PolarHBondContact O-N 2.97Å; G299-E301 PolarHBondContact O-N 3.22Å; G299-E301 VanDerWaalsContact O-N 3.16Å
300	V	98.6	Very high	98.1	Very high	18 Å²	18	49.5 Å²	49.5	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	113.8	175.4	-176.5	0	0	0	0	110.2	K165 F168 L293	K165-V300 HydrophobicContact CB-CB 4.29Å; K165-V300 WeakPolarHBondContact CD-O 3.28Å; K165-V300 HydrophobicContact CG-CB 4.47Å; K165-V300 PolarHBondContact O-N 3.45Å; F168-V300 HydrophobicContact CD1-CG2 4.35Å; F168-V300 HydrophobicContact CE1-CG2 3.43Å; F168-V300 VanDerWaalsContact CE1-CG2 3.43Å; F168-V300 HydrophobicContact CZ-CG2 4.01Å; L293-V300 HydrophobicContact CB-CG1 4.4Å; L293-V300 HydrophobicContact CD1-CG2 3.87Å; L293-V300 HydrophobicContact CD2-CG1 4.24Å
301	E	97.8	Very high	98	Very high	147 Å²	147	57.3 Å²	57.3	69%	0.687	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	-42.6	173	-171.9	178	163.8	0	0	110.8	A294 G299	A294-E301 PolarHBondContact O-N 2.99Å; G299-E301 PolarHBondContact O-N 3.22Å; G299-E301 VanDerWaalsContact O-N 3.16Å
302	K	98.1	Very high	98	Very high	139 Å²	139	59.5 Å²	59.5	60%	0.604	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151	128.8	179.2	-176.6	177.9	179.4	179.3	0	111.7	L293 A294	L293-K302 WeakPolarHBondContact CA-O 3.42Å; A294-K302 HydrophobicContact CB-CB 4.08Å; A294-K302 PolarHBondContact N-O 2.97Å; A294-K302 PolarHBondContact O-N 2.99Å
303	N	98.3	Very high	98	Very high	42 Å²	42	58.7 Å²	58.7	23%	0.225	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	120.7	163.9	-173.7	-28.7	0	0	0	108.9	S281 T291 L293 G305	S281-N303 PolarHBondContact OG-ND2 3.36Å; T291-N303 PolarHBondContact OG1-ND2 2.94Å; T291-N303 PolarHBondContact OG1-OD1 3.31Å; L293-N303 HydrophobicContact CD2-CB 3.95Å; N303-G305 VanDerWaalsContact C-N 3.28Å; N303-G305 PolarHBondContact O-N 2.9Å; N303-G305 PolarHBondContact OD1-N 2.98Å
304	M	98.3	Very high	98	Very high	106 Å²	106	62 Å²	62	52%	0.522	33%	0.325	S	S	.	.			trans	-82.6	-5.5	-176.2	-56.4	-175.5	65.6	0	0	113.3	V274 P292	V274-M304 HydrophobicContact CG1-SD 3.71Å; V274-M304 HydrophobicContact CG2-SD 4Å; P292-M304 HydrophobicContact CB-CB 4.19Å; P292-M304 HydrophobicContact CB-CG 4.45Å; P292-M304 HydrophobicContact CB-SD 4.1Å; P292-M304 WeakPolarHBondContact O-CB 3.2Å; P292-M304 WeakPolarHBondContact O-CG 3.42Å; P292-M304 PolarHBondContact O-N 3.05Å
305	G	98	Very high	98	Very high	16 Å²	16	65 Å²	65	17%	0.165	34%	0.336	C	S	.	.			trans	73.8	-170	178.8	0	0	0	0	0	113.9	T291 N303	T291-G305 WeakPolarHBondContact CG2-O 3.4Å; N303-G305 VanDerWaalsContact C-N 3.28Å; N303-G305 PolarHBondContact O-N 2.9Å; N303-G305 PolarHBondContact OD1-N 2.98Å
306	I	98.1	Very high	97.9	Very high	29 Å²	29	65.9 Å²	65.9	15%	0.149	34%	0.34	C	S	.	.			trans	-79	-27.9	-176.4	-68.3	177.1	0	0	0	112.1	I198 Q212 V283 T284 F289 T291 L309 L317	I198-I306 HydrophobicContact CD1-CB 4.34Å; I198-I306 HydrophobicContact CD1-CG1 4.12Å; I198-I306 HydrophobicContact CD1-CG2 3.77Å; Q212-I306 PolarHBondContact NE2-O 3.47Å; V283-I306 HydrophobicContact CG2-CD1 4.47Å; V283-I306 HydrophobicContact CG2-CG1 4.32Å; T284-I306 HydrophobicContact CG2-CD1 3.58Å; F289-I306 HydrophobicContact CE1-CD1 4.28Å; F289-I306 HydrophobicContact CE1-CG1 4.29Å; F289-I306 HydrophobicContact CZ-CD1 4.48Å; T291-I306 HydrophobicContact CG2-CG1 4.29Å; I306-L309 HydrophobicContact CG2-CD1 3.57Å; I306-L309 HydrophobicContact CG2-CD2 3.75Å; I306-L309 HydrophobicContact CG2-CG 3.59Å; I306-L317 HydrophobicContact CD1-CD1 4.45Å; I306-L317 HydrophobicContact CD1-CD2 3.98Å
307	G	96.8	Very high	98	Very high	55 Å²	55	66.9 Å²	66.9	57%	0.567	34%	0.343	S	S	*	.			trans	68.2	-161.3	-171.2	0	0	0	0	0	112.8
308	K	97.5	Very high	98.1	Very high	185 Å²	185	70.3 Å²	70.3	80%	0.804	35%	0.348	S	S	*	.			trans	-84.2	123.3	179.6	-175.1	180	-179.6	-179.1	0	110.3	Q212	Q212-K308 PolarHBondContact NE2-O 3.3Å
309	L	98.2	Very high	98.1	Very high	24 Å²	24	70.6 Å²	70.6	13%	0.126	35%	0.348	C	S	.	.			trans	-102	155.6	174.1	-59.5	-173.5	0	0	0	111	I198 V209 I306 E313 I314 L317	I198-L309 HydrophobicContact CD1-CD2 4.47Å; V209-L309 HydrophobicContact CB-CD2 4.4Å; V209-L309 HydrophobicContact CG1-CD2 3.46Å; V209-L309 VanDerWaalsContact CG1-CD2 3.46Å; V209-L309 HydrophobicContact CG2-CD2 3.98Å; I306-L309 HydrophobicContact CG2-CD1 3.57Å; I306-L309 HydrophobicContact CG2-CD2 3.75Å; I306-L309 HydrophobicContact CG2-CG 3.59Å; L309-E313 HydrophobicContact CB-CB 4Å; L309-E313 HydrophobicContact CD1-CB 4.38Å; L309-E313 HydrophobicContact CD2-CB 4.18Å; L309-E313 HydrophobicContact CG-CB 4.41Å; L309-I314 HydrophobicContact CB-CD1 4.41Å; L309-I314 HydrophobicContact CB-CG1 3.74Å; L309-I314 HydrophobicContact CD1-CG1 4.29Å; L309-L317 HydrophobicContact CD1-CB 4.37Å; L309-L317 HydrophobicContact CD1-CD2 3.81Å
310	N	97.3	Very high	98.1	Very high	44 Å²	44	70.6 Å²	70.6	24%	0.235	35%	0.348	C	S	.	.			trans	-88.8	174.6	164	70.5	20.7	0	0	0	111.8	R224 Y312 E313 I314	R224-N310 PolarHBondContact NH1-ND2 3.27Å; N310-Y312 VanDerWaalsContact C-N 3.33Å; N310-Y312 PolarHBondContact O-N 3.18Å; N310-Y312 PolarHBondContact OD1-N 3.28Å; N310-E313 PolarHBondContact N-OE2 3.5Å; N310-E313 PolarHBondContact O-N 3.34Å; N310-E313 WeakPolarHBondContact OD1-CB 3.45Å; N310-E313 VanDerWaalsContact OD1-CG 3.28Å; N310-E313 WeakPolarHBondContact OD1-CG 3.45Å; N310-E313 PolarHBondContact OD1-N 3.33Å; N310-E313 PolarHBondContact OD1-OE2 3.33Å; N310-I314 VanDerWaalsContact O-CG1 3.28Å; N310-I314 WeakPolarHBondContact O-CG1 3.16Å; N310-I314 PolarHBondContact O-N 2.93Å
311	E	97.9	Very high	98.1	Very high	166 Å²	166	70.2 Å²	70.2	78%	0.776	35%	0.345	S	S	*	.	H	α-helix	trans	-57.5	-42.8	-177.3	-66.1	176.8	179.6	0	0	112.9	E313 I314 E315	E311-E313 PolarHBondContact O-N 3.23Å; E311-I314 PolarHBondContact O-N 3.49Å; E311-E315 WeakPolarHBondContact O-CG 3.34Å; E311-E315 PolarHBondContact O-N 3.07Å
312	Y	98.1	Very high	98.2	Very high	45 Å²	45	67.2 Å²	67.2	18%	0.176	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-46.6	177.5	175.1	-108.5	0	0	0	112.4	R224 E225 T228 N310 E315 L316	R224-Y312 HydrophobicContact CG-CD1 4.1Å; R224-Y312 HydrophobicContact CG-CE1 4.06Å; E225-Y312 HydrophobicContact CG-CD2 4.41Å; E225-Y312 HydrophobicContact CG-CE2 3.54Å; T228-Y312 HydrophobicContact CG2-CE1 4.29Å; N310-Y312 VanDerWaalsContact C-N 3.33Å; N310-Y312 PolarHBondContact O-N 3.18Å; N310-Y312 PolarHBondContact OD1-N 3.28Å; Y312-E315 PolarHBondContact O-N 3.34Å; Y312-L316 HydrophobicContact CD1-CD1 4.11Å; Y312-L316 HydrophobicContact CE1-CD1 3.51Å; Y312-L316 HydrophobicContact CE1-CG 4.35Å; Y312-L316 HydrophobicContact CE2-CD1 4.36Å; Y312-L316 HydrophobicContact CE2-CG 4.43Å; Y312-L316 WeakPolarHBondContact O-CG 3.33Å; Y312-L316 PolarHBondContact O-N 3.19Å; Y312-L316 VanDerWaalsContact O-N 3.07Å
313	E	98.5	Very high	98.2	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.009	33%	0.325	C	S	.	.	H	α-helix	trans	-67.7	-35	178.7	-70.2	158.3	174.7	0	0	111.8	L207 I210 S211 R224 L309 N310 E311 L316 L317	L207-E313 HydrophobicContact CD2-CB 4.41Å; L207-E313 HydrophobicContact CD2-CG 4.44Å; I210-E313 PolarHBondContact N-OE1 2.87Å; I210-E313 VanDerWaalsContact N-OE1 3.13Å; S211-E313 VanDerWaalsContact CB-OE1 3.28Å; S211-E313 WeakPolarHBondContact CB-OE1 3.29Å; S211-E313 VanDerWaalsContact CB-OE2 3.3Å; S211-E313 WeakPolarHBondContact CB-OE2 3.24Å; S211-E313 PolarHBondContact N-OE1 3.26Å; S211-E313 VanDerWaalsContact OG-CD 3.24Å; S211-E313 PolarHBondContact OG-OE1 3.11Å; S211-E313 VanDerWaalsContact OG-OE1 3.12Å; S211-E313 PolarHBondContact OG-OE2 3.24Å; R224-E313 IonicContact NH1-OE1 2.7Å; L309-E313 HydrophobicContact CB-CB 4Å; L309-E313 HydrophobicContact CD1-CB 4.38Å; L309-E313 HydrophobicContact CD2-CB 4.18Å; L309-E313 HydrophobicContact CG-CB 4.41Å; N310-E313 PolarHBondContact N-OE2 3.5Å; N310-E313 PolarHBondContact O-N 3.34Å; N310-E313 WeakPolarHBondContact OD1-CB 3.45Å; N310-E313 VanDerWaalsContact OD1-CG 3.28Å; N310-E313 WeakPolarHBondContact OD1-CG 3.45Å; N310-E313 PolarHBondContact OD1-N 3.33Å; N310-E313 PolarHBondContact OD1-OE2 3.33Å; E311-E313 PolarHBondContact O-N 3.23Å; E313-L316 PolarHBondContact O-N 2.87Å; E313-L317 WeakPolarHBondContact O-CB 2.97Å; E313-L317 PolarHBondContact O-N 3.36Å
314	I	98.5	Very high	98.2	Very high	68 Å²	68	61.9 Å²	61.9	35%	0.349	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-43.6	173.3	-70.2	165.7	0	0	0	110.7	L309 N310 E311 L317 K318	L309-I314 HydrophobicContact CB-CD1 4.41Å; L309-I314 HydrophobicContact CB-CG1 3.74Å; L309-I314 HydrophobicContact CD1-CG1 4.29Å; N310-I314 VanDerWaalsContact O-CG1 3.28Å; N310-I314 WeakPolarHBondContact O-CG1 3.16Å; N310-I314 PolarHBondContact O-N 2.93Å; E311-I314 PolarHBondContact O-N 3.49Å; I314-L317 WeakPolarHBondContact O-CB 3.31Å; I314-L317 PolarHBondContact O-N 3.23Å; I314-K318 WeakPolarHBondContact O-CG 3.45Å; I314-K318 PolarHBondContact O-N 3.11Å
315	E	98.5	Very high	98.2	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-36.1	177.7	-69.6	-53.7	124.4	0	0	112.5	E311 Y312 K318 K319	E311-E315 WeakPolarHBondContact O-CG 3.34Å; E311-E315 PolarHBondContact O-N 3.07Å; Y312-E315 PolarHBondContact O-N 3.34Å; E315-K318 PolarHBondContact O-N 3.4Å; E315-K318 IonicContact OE1-NZ 2.63Å; E315-K318 PolarHBondContact OE1-NZ 2.69Å; E315-K319 WeakPolarHBondContact O-CG 3.4Å; E315-K319 PolarHBondContact O-N 3.48Å
316	L	98.5	Very high	98.2	Very high	22 Å²	22	63.1 Å²	63.1	12%	0.115	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-41.1	171.6	-68.1	-179.5	0	0	0	112	L207 T228 Y312 E313 K318 K319 L320	L207-L316 HydrophobicContact CD1-CB 3.76Å; L207-L316 HydrophobicContact CG-CB 4.27Å; T228-L316 HydrophobicContact CG2-CD1 3.74Å; Y312-L316 HydrophobicContact CD1-CD1 4.11Å; Y312-L316 HydrophobicContact CE1-CD1 3.51Å; Y312-L316 HydrophobicContact CE1-CG 4.35Å; Y312-L316 HydrophobicContact CE2-CD1 4.36Å; Y312-L316 HydrophobicContact CE2-CG 4.43Å; Y312-L316 WeakPolarHBondContact O-CG 3.33Å; Y312-L316 PolarHBondContact O-N 3.19Å; Y312-L316 VanDerWaalsContact O-N 3.07Å; E313-L316 PolarHBondContact O-N 2.87Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-K318 PolarHBondContact O-N 3.36Å; L316-K319 PolarHBondContact O-N 2.74Å; L316-L320 PolarHBondContact O-N 2.97Å
317	L	98.6	Very high	98.2	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.152	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-45.7	176.2	-178.7	63.3	0	0	0	110.8	L207 F289 I306 L309 E313 I314 K319 L320 I321	L207-L317 HydrophobicContact CD1-CB 3.91Å; F289-L317 HydrophobicContact CE2-CD1 4.12Å; F289-L317 HydrophobicContact CZ-CD1 3.59Å; I306-L317 HydrophobicContact CD1-CD1 4.45Å; I306-L317 HydrophobicContact CD1-CD2 3.98Å; L309-L317 HydrophobicContact CD1-CB 4.37Å; L309-L317 HydrophobicContact CD1-CD2 3.81Å; E313-L317 WeakPolarHBondContact O-CB 2.97Å; E313-L317 PolarHBondContact O-N 3.36Å; I314-L317 WeakPolarHBondContact O-CB 3.31Å; I314-L317 PolarHBondContact O-N 3.23Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 2.73Å; L317-L320 HydrophobicContact CD1-CD1 4.2Å; L317-L320 HydrophobicContact CD1-CD2 4.31Å; L317-L320 HydrophobicContact CD1-CG 4.34Å; L317-L320 WeakPolarHBondContact O-CG 3.47Å; L317-L320 PolarHBondContact O-N 2.87Å; L317-I321 HydrophobicContact CD1-CD1 4.38Å; L317-I321 HydrophobicContact CD1-CG1 4.37Å; L317-I321 VanDerWaalsContact O-CG1 3.25Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.94Å
318	K	98.4	Very high	98.3	Very high	125 Å²	125	60.8 Å²	60.8	54%	0.543	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-39.9	175.7	-70.6	172.2	-174.4	169.4	0	112.6	I314 E315 L316 P322	I314-K318 WeakPolarHBondContact O-CG 3.45Å; I314-K318 PolarHBondContact O-N 3.11Å; E315-K318 PolarHBondContact O-N 3.4Å; E315-K318 IonicContact OE1-NZ 2.63Å; E315-K318 PolarHBondContact OE1-NZ 2.69Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-K318 PolarHBondContact O-N 3.36Å; K318-P322 WeakPolarHBondContact O-CD 3.4Å
319	K	98.4	Very high	98.3	Very high	133 Å²	133	58.1 Å²	58.1	58%	0.578	29%	0.286	S	S	*	.	H	α-helix	trans	-71.8	-35.7	-179.1	-71.7	173	-173.8	176.7	0	113.1	E315 L316 L317	E315-K319 WeakPolarHBondContact O-CG 3.4Å; E315-K319 PolarHBondContact O-N 3.48Å; L316-K319 PolarHBondContact O-N 2.74Å; L317-K319 VanDerWaalsContact C-N 3.29Å; L317-K319 PolarHBondContact O-N 2.73Å
320	L	98.3	Very high	98.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-78.1	-28.4	-177.5	71	84.7	0	0	0	114.2	I204 T205 L207 F289 L316 L317 E323 L324	I204-L320 WeakPolarHBondContact O-CB 3.4Å; T205-L320 HydrophobicContact CG2-CB 4.39Å; L207-L320 HydrophobicContact CB-CD2 3.73Å; L207-L320 HydrophobicContact CD1-CD2 3.55Å; L207-L320 HydrophobicContact CG-CD2 4.26Å; F289-L320 HydrophobicContact CE2-CD1 3.78Å; F289-L320 HydrophobicContact CZ-CD1 4.21Å; L316-L320 PolarHBondContact O-N 2.97Å; L317-L320 HydrophobicContact CD1-CD1 4.2Å; L317-L320 HydrophobicContact CD1-CD2 4.31Å; L317-L320 HydrophobicContact CD1-CG 4.34Å; L317-L320 WeakPolarHBondContact O-CG 3.47Å; L317-L320 PolarHBondContact O-N 2.87Å; L320-E323 PolarHBondContact O-N 2.89Å; L320-L324 HydrophobicContact CD1-CD2 4.27Å; L320-L324 WeakPolarHBondContact O-CB 3.46Å; L320-L324 PolarHBondContact O-N 3.45Å
321	I	98.7	Very high	98.3	Very high	11 Å²	11	58.3 Å²	58.3	6%	0.056	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-48	-174.3	-72.1	-73	0	0	0	112.4	T284 E285 C286 F289 L317 E323 L324 K325	T284-I321 HydrophobicContact CG2-CD1 4.06Å; E285-I321 HydrophobicContact CG-CG2 3.98Å; E285-I321 WeakPolarHBondContact OE1-CG2 3.4Å; C286-I321 VanDerWaalsContact SG-CD1 3.6Å; F289-I321 HydrophobicContact CD2-CD1 4.42Å; F289-I321 HydrophobicContact CE2-CD1 3.82Å; L317-I321 HydrophobicContact CD1-CD1 4.38Å; L317-I321 HydrophobicContact CD1-CG1 4.37Å; L317-I321 VanDerWaalsContact O-CG1 3.25Å; L317-I321 WeakPolarHBondContact O-CG1 3.48Å; L317-I321 PolarHBondContact O-N 2.94Å; I321-E323 PolarHBondContact O-N 3.48Å; I321-L324 PolarHBondContact O-N 3.04Å; I321-K325 HydrophobicContact CG2-CD 4.32Å; I321-K325 HydrophobicContact CG2-CG 4.48Å; I321-K325 WeakPolarHBondContact O-CG 3.31Å; I321-K325 PolarHBondContact O-N 2.88Å
322	P	98.4	Very high	98.4	Very high	83 Å²	83	53 Å²	53	54%	0.539	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-41.4	177.6	-25.2	34.6	0	0	0	113.5	K318 A326	K318-P322 WeakPolarHBondContact O-CD 3.4Å; P322-A326 PolarHBondContact O-N 3.18Å; P322-A326 VanDerWaalsContact O-N 3.14Å
323	E	98	Very high	98.4	Very high	69 Å²	69	55.2 Å²	55.2	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-48.9	177.2	-176.2	167.7	148.9	0	0	110.2	I204 T205 L320 I321 K325 A326 N327	I204-E323 HydrophobicContact CD1-CB 4.49Å; I204-E323 VanDerWaalsContact CD1-OE2 3.24Å; I204-E323 WeakPolarHBondContact CD1-OE2 3.39Å; I204-E323 WeakPolarHBondContact CG1-OE2 3.37Å; T205-E323 HydrophobicContact CG2-CB 4.1Å; T205-E323 HydrophobicContact CG2-CG 3.89Å; L320-E323 PolarHBondContact O-N 2.89Å; I321-E323 PolarHBondContact O-N 3.48Å; E323-K325 VanDerWaalsContact C-N 3.34Å; E323-K325 PolarHBondContact O-N 3.41Å; E323-A326 WeakPolarHBondContact O-CB 3.48Å; E323-A326 PolarHBondContact O-N 3.38Å; E323-N327 PolarHBondContact O-N 2.92Å; E323-N327 PolarHBondContact O-OD1 3.2Å
324	L	98.5	Very high	98.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-41.8	-179.5	-170.4	57.7	0	0	0	112.4	N146 T205 F278 C286 F289 L320 I321 A326 N327 I328	N146-L324 HydrophobicContact CB-CD1 3.99Å; T205-L324 HydrophobicContact CG2-CB 4.27Å; F278-L324 HydrophobicContact CE2-CD1 3.73Å; F278-L324 HydrophobicContact CE2-CD2 4.1Å; F278-L324 HydrophobicContact CE2-CG 4.35Å; F278-L324 HydrophobicContact CZ-CD1 3.82Å; C286-L324 HydrophobicContact CB-CD2 4.26Å; F289-L324 HydrophobicContact CD2-CD2 3.54Å; F289-L324 HydrophobicContact CE2-CD2 3.88Å; F289-L324 HydrophobicContact CG-CD2 4.5Å; L320-L324 HydrophobicContact CD1-CD2 4.27Å; L320-L324 WeakPolarHBondContact O-CB 3.46Å; L320-L324 PolarHBondContact O-N 3.45Å; I321-L324 PolarHBondContact O-N 3.04Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.36Å; L324-N327 PolarHBondContact O-N 2.94Å; L324-I328 HydrophobicContact CD1-CD1 4.46Å; L324-I328 HydrophobicContact CG-CD1 4Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.27Å; L324-I328 PolarHBondContact O-N 3.27Å
325	K	98.5	Very high	98.3	Very high	91 Å²	91	53.5 Å²	53.5	40%	0.396	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-42.9	172.4	-78	-174.1	172.8	-178.9	0	112.4	E285 I321 E323 I328 K329	E285-K325 VanDerWaalsContact O-CE 3.23Å; E285-K325 WeakPolarHBondContact O-CE 3.3Å; I321-K325 HydrophobicContact CG2-CD 4.32Å; I321-K325 HydrophobicContact CG2-CG 4.48Å; I321-K325 WeakPolarHBondContact O-CG 3.31Å; I321-K325 PolarHBondContact O-N 2.88Å; E323-K325 VanDerWaalsContact C-N 3.34Å; E323-K325 PolarHBondContact O-N 3.41Å; K325-I328 PolarHBondContact O-N 2.87Å; K325-K329 VanDerWaalsContact O-CB 3.26Å; K325-K329 WeakPolarHBondContact O-CB 3.5Å; K325-K329 PolarHBondContact O-N 3.49Å
326	A	98.2	Very high	98.2	Very high	58 Å²	58	52.8 Å²	52.8	48%	0.479	27%	0.269	S	S	.	.	H	α-helix	trans	-64.4	-42.2	178	0	0	0	0	0	111.5	P322 E323 L324 K330	P322-A326 PolarHBondContact O-N 3.18Å; P322-A326 VanDerWaalsContact O-N 3.14Å; E323-A326 WeakPolarHBondContact O-CB 3.48Å; E323-A326 PolarHBondContact O-N 3.38Å; L324-A326 VanDerWaalsContact C-N 3.32Å; L324-A326 PolarHBondContact O-N 3.36Å; A326-K330 WeakPolarHBondContact O-CB 3.39Å; A326-K330 PolarHBondContact O-N 2.95Å
327	N	98.1	Very high	98	Very high	31 Å²	31	59.8 Å²	59.8	17%	0.166	30%	0.298	C	S	.	.	H	α-helix	trans	-62	-44.7	174.7	-73.3	82.6	0	0	0	112.6	N146 S147 E323 L324 K330 G331	N146-N327 HydrophobicContact CB-CB 3.67Å; S147-N327 WeakPolarHBondContact CB-O 3.49Å; S147-N327 PolarHBondContact OG-O 2.93Å; E323-N327 PolarHBondContact O-N 2.92Å; E323-N327 PolarHBondContact O-OD1 3.2Å; L324-N327 PolarHBondContact O-N 2.94Å; N327-K330 PolarHBondContact O-N 3.35Å; N327-G331 PolarHBondContact O-N 2.91Å; N327-G331 VanDerWaalsContact O-N 3.11Å
328	I	98.6	Very high	97.8	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-49.8	178.7	-69.2	163.7	0	0	0	110.1	P150 F278 C286 F288 L324 K325 K330 G331 K332	P150-I328 HydrophobicContact CB-CG2 4.38Å; P150-I328 HydrophobicContact CG-CB 4.25Å; P150-I328 HydrophobicContact CG-CG1 4.06Å; P150-I328 HydrophobicContact CG-CG2 4.09Å; F278-I328 HydrophobicContact CZ-CD1 4.3Å; F278-I328 HydrophobicContact CZ-CG1 4.25Å; C286-I328 HydrophobicContact CB-CD1 3.97Å; F288-I328 HydrophobicContact CB-CD1 3.96Å; F288-I328 HydrophobicContact CB-CG1 4.29Å; F288-I328 HydrophobicContact CD2-CD1 4.48Å; F288-I328 HydrophobicContact CD2-CG1 4.41Å; F288-I328 HydrophobicContact CD2-CG2 3.99Å; F288-I328 WeakPolarHBondContact O-CD1 3.44Å; L324-I328 HydrophobicContact CD1-CD1 4.46Å; L324-I328 HydrophobicContact CG-CD1 4Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.27Å; L324-I328 PolarHBondContact O-N 3.27Å; K325-I328 PolarHBondContact O-N 2.87Å; I328-K330 VanDerWaalsContact C-N 3.32Å; I328-K330 PolarHBondContact O-N 2.95Å; I328-G331 PolarHBondContact O-N 2.84Å; I328-G331 VanDerWaalsContact O-N 3.09Å; I328-K332 HydrophobicContact CG2-CD 4.1Å; I328-K332 HydrophobicContact CG2-CG 4.49Å; I328-K332 PolarHBondContact O-N 3.11Å
329	K	98.4	Very high	97.3	Very high	129 Å²	129	59.3 Å²	59.3	56%	0.561	30%	0.304	S	S	*	.	H	α-helix	trans	-55.5	-46.9	177.2	179.1	175.3	171.9	178.3	0	111.3	K325 G331 K332 E333	K325-K329 VanDerWaalsContact O-CB 3.26Å; K325-K329 WeakPolarHBondContact O-CB 3.5Å; K325-K329 PolarHBondContact O-N 3.49Å; K329-G331 VanDerWaalsContact C-N 3.3Å; K329-G331 PolarHBondContact O-N 3.28Å; K329-K332 PolarHBondContact O-N 3.13Å; K329-E333 WeakPolarHBondContact CE-OE1 3.44Å; K329-E333 HydrophobicContact CG-CG 4.26Å; K329-E333 IonicContact NZ-OE1 3.49Å; K329-E333 WeakPolarHBondContact O-CB 3.47Å; K329-E333 WeakPolarHBondContact O-CG 3.45Å; K329-E333 PolarHBondContact O-N 3.24Å
330	K	97.8	Very high	96.5	Very high	72 Å²	72	55.9 Å²	55.9	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-40.9	177.3	-172.7	177.1	-176.2	173.9	0	112.4	D112 F115 A326 N327 I328 F334	D112-K330 IonicContact OD1-NZ 2.7Å; D112-K330 PolarHBondContact OD1-NZ 2.92Å; F115-K330 HydrophobicContact CD1-CD 4.38Å; F115-K330 VanDerWaalsContact CD1-CE 3.43Å; F115-K330 HydrophobicContact CD2-CD 4.49Å; F115-K330 HydrophobicContact CE1-CD 4.23Å; F115-K330 HydrophobicContact CE1-CG 3.93Å; F115-K330 HydrophobicContact CE2-CD 4.36Å; F115-K330 HydrophobicContact CE2-CG 4.23Å; F115-K330 HydrophobicContact CZ-CD 4.22Å; F115-K330 HydrophobicContact CZ-CG 3.74Å; A326-K330 WeakPolarHBondContact O-CB 3.39Å; A326-K330 PolarHBondContact O-N 2.95Å; N327-K330 PolarHBondContact O-N 3.35Å; I328-K330 VanDerWaalsContact C-N 3.32Å; I328-K330 PolarHBondContact O-N 2.95Å; K330-F334 PolarHBondContact O-N 3.49Å
331	G	98.4	Very high	95.2	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-63.3	-49.7	174.7	0	0	0	0	0	112.6	I151 N327 I328 K329 E333 F334 A335	I151-G331 WeakPolarHBondContact CG1-O 3.47Å; N327-G331 PolarHBondContact O-N 2.91Å; N327-G331 VanDerWaalsContact O-N 3.11Å; I328-G331 PolarHBondContact O-N 2.84Å; I328-G331 VanDerWaalsContact O-N 3.09Å; K329-G331 VanDerWaalsContact C-N 3.3Å; K329-G331 PolarHBondContact O-N 3.28Å; G331-E333 PolarHBondContact O-N 2.7Å; G331-F334 PolarHBondContact O-N 3.36Å; G331-A335 PolarHBondContact O-N 2.98Å
332	K	98.3	Very high	95	Very high	55 Å²	55	71.2 Å²	71.2	24%	0.239	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-40.1	178.4	-66.2	-178.7	67.6	172.7	0	112.3	P150 E154 E287 I328 K329 A335 A336	P150-K332 HydrophobicContact CB-CG 4.1Å; E154-K332 HydrophobicContact CG-CB 4.42Å; E154-K332 HydrophobicContact CG-CG 4.05Å; E154-K332 VanDerWaalsContact OE1-CE 3.31Å; E154-K332 WeakPolarHBondContact OE1-CE 3.49Å; E287-K332 WeakPolarHBondContact OE1-CD 3.37Å; E287-K332 IonicContact OE1-NZ 3.42Å; E287-K332 PolarHBondContact OE1-NZ 2.89Å; E287-K332 IonicContact OE2-NZ 3.88Å; E287-K332 PolarHBondContact OE2-NZ 3.27Å; I328-K332 HydrophobicContact CG2-CD 4.1Å; I328-K332 HydrophobicContact CG2-CG 4.49Å; I328-K332 PolarHBondContact O-N 3.11Å; K329-K332 PolarHBondContact O-N 3.13Å; K332-A335 PolarHBondContact O-N 3.29Å; K332-A336 WeakPolarHBondContact O-CB 3.34Å; K332-A336 PolarHBondContact O-N 2.98Å
333	E	98	Very high	94.8	Very high	91 Å²	91	70.6 Å²	70.6	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-65.7	-38.1	176.2	-75.2	179	169.3	0	0	112.9	K329 G331 K337	K329-E333 WeakPolarHBondContact CE-OE1 3.44Å; K329-E333 HydrophobicContact CG-CG 4.26Å; K329-E333 IonicContact NZ-OE1 3.49Å; K329-E333 WeakPolarHBondContact O-CB 3.47Å; K329-E333 WeakPolarHBondContact O-CG 3.45Å; K329-E333 PolarHBondContact O-N 3.24Å; G331-E333 PolarHBondContact O-N 2.7Å; E333-K337 WeakPolarHBondContact O-CG 2.96Å; E333-K337 PolarHBondContact O-N 2.78Å
334	F	97.7	Very high	94.6	Very high	34 Å²	34	70.7 Å²	70.7	15%	0.149	36%	0.357	C	S	.	.	H	α-helix	trans	-62.1	-51.1	171.3	177.8	-83.7	0	0	0	110.3	F115 A119 A123 I151 K330 G331 A336 K337 Y338	F115-F334 HydrophobicContact CE1-CB 4.2Å; F115-F334 HydrophobicContact CE1-CD2 4.13Å; F115-F334 HydrophobicContact CE1-CG 4.42Å; F115-F334 HydrophobicContact CZ-CB 3.97Å; F115-F334 HydrophobicContact CZ-CG 4.38Å; A119-F334 HydrophobicContact CB-CD1 3.74Å; A119-F334 HydrophobicContact CB-CD2 3.77Å; A119-F334 HydrophobicContact CB-CE1 3.6Å; A119-F334 HydrophobicContact CB-CE2 3.62Å; A119-F334 HydrophobicContact CB-CG 3.84Å; A119-F334 HydrophobicContact CB-CZ 3.55Å; A123-F334 HydrophobicContact CB-CE1 4.27Å; I151-F334 HydrophobicContact CD1-CB 4.29Å; I151-F334 HydrophobicContact CD1-CD1 3.81Å; I151-F334 HydrophobicContact CD1-CG 4.21Å; I151-F334 HydrophobicContact CG1-CB 4.45Å; I151-F334 HydrophobicContact CG1-CD1 4.06Å; I151-F334 HydrophobicContact CG2-CD1 4.39Å; K330-F334 PolarHBondContact O-N 3.49Å; G331-F334 PolarHBondContact O-N 3.36Å; F334-A336 VanDerWaalsContact C-N 3.32Å; F334-A336 PolarHBondContact O-N 3.45Å; F334-K337 CarbonylContact O-C 3.3Å; F334-K337 PolarHBondContact O-N 3.2Å; F334-Y338 AromaticContact CE1-CD2 3.86Å; F334-Y338 HydrophobicContact CE1-CD2 3.86Å; F334-Y338 HydrophobicContact CE1-CG 4.27Å; F334-Y338 HydrophobicContact CZ-CD2 4.1Å; F334-Y338 PolarHBondContact O-N 3.36Å
335	A	97.6	Very high	94.4	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-57.1	-46.9	-179.4	0	0	0	0	0	110.9	I151 E154 R158 G331 K332 K337 Y338	I151-A335 HydrophobicContact CG1-CB 4.48Å; E154-A335 HydrophobicContact CB-CB 3.5Å; E154-A335 HydrophobicContact CG-CB 4.04Å; R158-A335 PolarHBondContact NH1-O 2.89Å; R158-A335 PolarHBondContact NH2-O 2.92Å; G331-A335 PolarHBondContact O-N 2.98Å; K332-A335 PolarHBondContact O-N 3.29Å; A335-K337 PolarHBondContact O-N 3.04Å; A335-K337 VanDerWaalsContact O-N 3.1Å; A335-Y338 WeakPolarHBondContact O-CB 3.24Å; A335-Y338 PolarHBondContact O-N 3.31Å
336	A	96.1	Very high	94.1	Very high	72 Å²	72	73.8 Å²	73.8	60%	0.595	38%	0.377	S	S	*	.	H	α-helix	trans	-50.8	-37.1	176.7	0	0	0	0	0	113.3	R158 K332 F334	R158-A336 VanDerWaalsContact NH2-CA 3.26Å; R158-A336 PolarHBondContact NH2-O 3.09Å; R158-A336 VanDerWaalsContact NH2-O 3.08Å; K332-A336 WeakPolarHBondContact O-CB 3.34Å; K332-A336 PolarHBondContact O-N 2.98Å; F334-A336 VanDerWaalsContact C-N 3.32Å; F334-A336 PolarHBondContact O-N 3.45Å
337	K	95	Very high	93.9	Very high	168 Å²	168	74.9 Å²	74.9	73%	0.73	37%	0.37	S	S	*	.	H	α-helix	trans	-91.6	-13.7	180	-62.9	172.3	-174.1	173.6	0	114.1	E333 F334 A335 T339	E333-K337 WeakPolarHBondContact O-CG 2.96Å; E333-K337 PolarHBondContact O-N 2.78Å; F334-K337 CarbonylContact O-C 3.3Å; F334-K337 PolarHBondContact O-N 3.2Å; A335-K337 PolarHBondContact O-N 3.04Å; A335-K337 VanDerWaalsContact O-N 3.1Å; K337-T339 PolarHBondContact O-N 2.85Å
338	Y	93.4	Very high	93.6	Very high	31 Å²	31	78 Å²	78	12%	0.122	39%	0.385	C	S	.	.			trans	-70.2	126.6	-178.1	177.6	-95.8	0	0	0	110.8	A123 E124 I155 R158 F334 A335 P340	A123-Y338 HydrophobicContact CB-CD1 3.83Å; A123-Y338 HydrophobicContact CB-CD2 3.7Å; A123-Y338 HydrophobicContact CB-CE1 3.66Å; A123-Y338 HydrophobicContact CB-CE2 3.53Å; A123-Y338 HydrophobicContact CB-CG 3.84Å; E124-Y338 WeakPolarHBondContact CA-OH 3.12Å; E124-Y338 PolarHBondContact N-OH 3.49Å; I155-Y338 HydrophobicContact CD1-CD1 3.66Å; I155-Y338 HydrophobicContact CD1-CE1 4.24Å; I155-Y338 HydrophobicContact CD1-CG 4.45Å; R158-Y338 PolarHBondContact NH1-O 3.37Å; F334-Y338 AromaticContact CE1-CD2 3.86Å; F334-Y338 HydrophobicContact CE1-CD2 3.86Å; F334-Y338 HydrophobicContact CE1-CG 4.27Å; F334-Y338 HydrophobicContact CZ-CD2 4.1Å; F334-Y338 PolarHBondContact O-N 3.36Å; A335-Y338 WeakPolarHBondContact O-CB 3.24Å; A335-Y338 PolarHBondContact O-N 3.31Å; Y338-P340 HydrophobicContact CE1-CB 4.34Å; Y338-P340 HydrophobicContact CE1-CG 3.99Å
339	T	89.7	Confident	93.2	Very high	114 Å²	114	83.7 Å²	83.7	70%	0.699	41%	0.413	S	S	*	.			trans	-113.6	122.6	170.7	-53.1	0	0	0	0	107.9	K337	K337-T339 PolarHBondContact O-N 2.85Å
340	P	80	Confident	92.8	Very high	60 Å²	60	79.9 Å²	79.9	39%	0.39	40%	0.4	S	S	.	.			trans	-54.2	143.3	173.8	-23.2	32.7	0	0	0	111.1	Y338	Y338-P340 HydrophobicContact CE1-CB 4.34Å; Y338-P340 HydrophobicContact CE1-CG 3.99Å
341	K	71.1	Confident	92.3	Very high	262 Å²	262	80.6 Å²	80.6	100%	1.139	41%	0.408	S	S	*	.			trans	-80.7	0	170.9	-70.1	-176.4	-179	176.2	0	111.2

Retrieved 341 of 341 residues in 319.2 ms (Link to these results)

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