A0A096MVS3_PAPAN Loading...

Neudesin

AlphaFold DB , UniProt , Accession A0A096MVS3, Species PAPAN (Papio anubis, Olive baboon), Gene NENF, Length 172 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	43.4	Very low	45.7	Very low	247 Å²	247	143.2 Å²	143.2	100%	1.217	81%	0.806	S	S	*	*				0	141.5	0	-106	173.6	167	0	0	108.3
2	A	42.1	Very low	45.5	Very low	101 Å²	101	140.3 Å²	140.3	84%	0.835	80%	0.797	S	S	*	*			trans	75.7	104.3	171.1	0	0	0	0	0	118.1
3	G	44.1	Very low	45.2	Very low	68 Å²	68	142.2 Å²	142.2	70%	0.701	80%	0.802	S	S	*	*			trans	-66.5	173.9	140.9	0	0	0	0	0	110.2
4	P	47.5	Very low	44.4	Very low	134 Å²	134	139.1 Å²	139.1	87%	0.87	80%	0.804	S	S	*	*				-151.4	172.5	74.5	35.4	-13.9	0	0	0	116.1
5	A	41.9	Very low	44.1	Very low	88 Å²	88	136.8 Å²	136.8	73%	0.727	81%	0.807	S	S	*	*			trans	-73.8	-152.4	163.1	0	0	0	0	0	110.8
6	P	53.2	Low	43.6	Very low	120 Å²	120	138.7 Å²	138.7	78%	0.779	81%	0.812	S	S	*	*			cis	-129.3	168.3	-40.6	25.8	-6.4	0	0	0	112.1
7	G	42.6	Very low	43.4	Very low	67 Å²	67	136.1 Å²	136.1	69%	0.691	81%	0.809	S	S	*	*			trans	69.3	159.7	135.6	0	0	0	0	0	119.4
8	R	45.1	Very low	43	Very low	209 Å²	209	136.9 Å²	136.9	79%	0.789	81%	0.809	S	S	*	*			trans	137.7	136.9	164.3	-85.3	173.1	96.8	128.3	6.4	107.7
9	R	49.2	Very low	42.8	Very low	161 Å²	161	136.6 Å²	136.6	61%	0.608	81%	0.808	S	S	*	*			cis	-168.1	134.3	12.8	-89.5	-112.6	177.1	-126.7	-14.3	104.9
10	L	44.3	Very low	42.6	Very low	145 Å²	145	137.6 Å²	137.6	76%	0.759	81%	0.808	S	S	*	*				95.4	111.4	94.2	-152.7	84.9	0	0	0	111.5
11	R	49	Very low	42.5	Very low	235 Å²	235	135.2 Å²	135.2	89%	0.887	81%	0.805	S	S	*	*			trans	-68.9	153.4	167.1	-62.9	175.6	174.9	-179.6	-2.7	109.2
12	P	43.5	Very low	42.6	Very low	108 Å²	108	131.6 Å²	131.6	70%	0.701	79%	0.789	S	S	*	*				-145.1	151.2	121	22.3	-0.3	0	0	0	116.8
13	L	41.5	Very low	42.8	Very low	166 Å²	166	131 Å²	131	87%	0.869	78%	0.784	S	S	*	*			trans	82.7	113.4	135.4	-67.9	162.2	0	0	0	122.2
14	A	34.7	Very low	43.1	Very low	99 Å²	99	136 Å²	136	82%	0.818	79%	0.794	S	S	*	*			trans	-31.1	139.4	157.3	0	0	0	0	0	117.1
15	A	38.8	Very low	43.3	Very low	104 Å²	104	133 Å²	133	86%	0.86	79%	0.788	S	S	*	*			trans	-132.6	112.2	144.7	0	0	0	0	0	108.2
16	L	37.3	Very low	43.5	Very low	167 Å²	167	136.5 Å²	136.5	87%	0.874	79%	0.793	S	S	*	*			trans	-79.4	122.8	173.4	179.8	75.6	0	0	0	108.2
17	A	40.2	Very low	43	Very low	94 Å²	94	136.3 Å²	136.3	78%	0.777	79%	0.792	S	S	*	*			trans	-136.2	94.7	162	0	0	0	0	0	108.7	V19	A17-V19 PolarHBondContact O-N 3.13Å
18	L	35	Very low	43.1	Very low	152 Å²	152	139.8 Å²	139.8	80%	0.796	80%	0.8	S	S	*	*			trans	-72.2	111.8	168.7	179.9	75.2	0	0	0	108.1
19	V	39.6	Very low	43.3	Very low	130 Å²	130	133.8 Å²	133.8	79%	0.788	80%	0.795	S	S	*	*			trans	-114.6	97.8	164.4	-177.8	0	0	0	0	107.6	A17	A17-V19 PolarHBondContact O-N 3.13Å
20	L	38.7	Very low	43.2	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	81%	0.808	S	S	*	*			trans	-82	107	167.8	-179.6	72.5	0	0	0	107.8
21	A	40.5	Very low	43.5	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	81%	0.81	S	S	*	*			trans	-127.1	94.5	165.1	0	0	0	0	0	108.5	A23	A21-A23 PolarHBondContact O-N 3.36Å
22	L	46.8	Very low	43.7	Very low	171 Å²	171	127 Å²	127	90%	0.895	80%	0.803	S	S	*	*			trans	-77.6	111.1	168.8	-171.5	85	0	0	0	108.1
23	A	44.8	Very low	43.5	Very low	88 Å²	88	129.6 Å²	129.6	73%	0.727	81%	0.805	S	S	*	*			trans	-147.5	97.2	164.1	0	0	0	0	0	110.2	A21	A21-A23 PolarHBondContact O-N 3.36Å
24	L	50.1	Low	43.8	Very low	172 Å²	172	127.9 Å²	127.9	90%	0.901	80%	0.802	S	S	*	*			trans	39.6	109.1	140.4	-59.6	168.6	0	0	0	118.7
25	G	51.7	Low	44.5	Very low	72 Å²	72	128.9 Å²	128.9	74%	0.742	80%	0.8	S	S	*	*				73.8	96.5	124.7	0	0	0	0	0	118
26	L	47.2	Very low	44.9	Very low	161 Å²	161	134.7 Å²	134.7	84%	0.843	80%	0.799	S	S	*	*				175	131.3	115.4	-89.2	155.9	0	0	0	107.5	T28	L26-T28 PolarHBondContact O-N 3.35Å; L26-T28 VanDerWaalsContact O-N 3.16Å
27	P	43.1	Very low	45.8	Very low	117 Å²	117	132.3 Å²	132.3	76%	0.76	79%	0.794	S	S	*	*			trans	-62.8	120.6	163.3	27.4	-29.5	0	0	0	106.6	A29	P27-A29 PolarHBondContact O-N 2.95Å
28	T	44.8	Very low	46.7	Very low	139 Å²	139	132 Å²	132	85%	0.853	79%	0.792	S	S	*	*			trans	-61.2	93.3	165.6	-44.3	0	0	0	0	106.1	L26 R30	L26-T28 PolarHBondContact O-N 3.35Å; L26-T28 VanDerWaalsContact O-N 3.16Å; T28-R30 PolarHBondContact O-N 3.18Å
29	A	48.6	Very low	47.5	Very low	83 Å²	83	134.1 Å²	134.1	69%	0.686	80%	0.797	S	S	*	*			trans	-52.5	113.5	169.2	0	0	0	0	0	105.6	P27 A31	P27-A29 PolarHBondContact O-N 2.95Å; A29-A31 PolarHBondContact O-N 3.37Å
30	R	47.7	Very low	48.2	Very low	231 Å²	231	139.5 Å²	139.5	87%	0.872	80%	0.804	S	S	*	*			trans	-69.6	79.8	172.6	-156.8	177.4	-176.6	163.3	0.8	106.1	T28 G32	T28-R30 PolarHBondContact O-N 3.18Å; R30-G32 PolarHBondContact O-N 3.43Å
31	A	51.1	Low	49	Very low	98 Å²	98	134.6 Å²	134.6	81%	0.81	79%	0.791	S	S	*	*			trans	-59.2	127	169.6	0	0	0	0	0	107.4	A29	A29-A31 PolarHBondContact O-N 3.37Å
32	G	52	Low	49.8	Very low	71 Å²	71	134.9 Å²	134.9	73%	0.732	79%	0.785	S	S	*	*			trans	118.8	38	168	0	0	0	0	0	116.9	R30	R30-G32 PolarHBondContact O-N 3.43Å
33	Q	39.7	Very low	50.7	Low	161 Å²	161	132.9 Å²	132.9	75%	0.752	78%	0.782	S	S	*	*			trans	-128.1	87.5	150.6	-70.7	-174.5	80.2	0	0	108.3
34	T	47.4	Very low	52.3	Low	130 Å²	130	131.9 Å²	131.9	80%	0.798	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-51.9	127.4	153	39.9	0	0	0	0	106.9	R36	T34-R36 PolarHBondContact O-N 2.92Å; T34-R36 VanDerWaalsContact O-N 3.1Å
35	P	48.8	Very low	54.1	Low	120 Å²	120	128.5 Å²	128.5	78%	0.779	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-53.6	125.8	171.3	21.3	-29.7	0	0	0	107.1
36	R	47.5	Very low	56	Low	226 Å²	226	128.2 Å²	128.2	85%	0.853	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-50.3	131	169.2	-80	179.4	-92.6	166.9	-4.8	106.3	T34 A38	T34-R36 PolarHBondContact O-N 2.92Å; T34-R36 VanDerWaalsContact O-N 3.1Å; R36-A38 PolarHBondContact O-N 2.79Å
37	P	56.2	Low	58.2	Low	118 Å²	118	120.6 Å²	120.6	77%	0.766	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-48.9	121.1	167.7	-21.8	31.4	0	0	0	106.2	E39	P37-E39 PolarHBondContact O-N 2.93Å
38	A	59	Low	60.6	Low	87 Å²	87	117.7 Å²	117.7	72%	0.719	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-49.1	124.2	174.1	0	0	0	0	0	106.4	R36 R40	R36-A38 PolarHBondContact O-N 2.79Å; A38-R40 PolarHBondContact O-N 3.08Å
39	E	51.7	Low	62.9	Low	196 Å²	196	116.4 Å²	116.4	92%	0.916	65%	0.648	S	S	*	*			trans	-53.2	112.5	174.1	-75	-160.9	115.9	0	0	106.3	P37 G41	P37-E39 PolarHBondContact O-N 2.93Å; E39-G41 PolarHBondContact O-N 3.01Å
40	R	54	Low	65.1	Low	244 Å²	244	118.8 Å²	118.8	92%	0.921	65%	0.645	S	S	*	*			trans	-68.6	106.7	177.9	-65.7	-178.7	-175.4	175.8	0.4	104.1	A38	A38-R40 PolarHBondContact O-N 3.08Å
41	G	55.9	Low	67.3	Low	53 Å²	53	111.2 Å²	111.2	55%	0.546	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-51.9	167.8	170.3	0	0	0	0	0	110.8	E39	E39-G41 PolarHBondContact O-N 3.01Å
42	P	58	Low	69.5	Low	94 Å²	94	106.7 Å²	106.7	61%	0.61	58%	0.581	S	S	*	*	S	Bend	trans	-49.9	142.9	178.7	20	-31.3	0	0	0	111	V44 I168	P42-V44 PolarHBondContact O-N 3.27Å; P42-I168 HydrophobicContact CG-CD1 4.17Å
43	P	65.9	Low	71.6	Confident	130 Å²	130	106.1 Å²	106.1	84%	0.844	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-59	125.7	-176.6	23.6	-32.3	0	0	0	109.9	R45	P43-R45 PolarHBondContact O-N 3.3Å
44	V	77.7	Confident	74.4	Confident	67 Å²	67	106.5 Å²	106.5	41%	0.406	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-69.3	124.8	177.8	174	0	0	0	0	109.2	P42 Y142	P42-V44 PolarHBondContact O-N 3.27Å; V44-Y142 HydrophobicContact CG1-CD2 3.22Å; V44-Y142 HydrophobicContact CG1-CE2 3.47Å; V44-Y142 VanDerWaalsContact CG1-CE2 3.47Å; V44-Y142 HydrophobicContact CG1-CG 4.48Å
45	R	88.9	Confident	76.8	Confident	100 Å²	100	102.2 Å²	102.2	38%	0.377	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-74	134.1	176.2	-176	176.3	177.1	-167.4	-0.5	110.6	P43 F47 Y55 G141 Y142	P43-R45 PolarHBondContact O-N 3.3Å; R45-F47 HydrophobicContact CB-CE2 4.22Å; R45-F47 VanDerWaalsContact CD-CZ 3.44Å; R45-F47 HydrophobicContact CG-CD2 4.17Å; R45-F47 HydrophobicContact CG-CE2 3.71Å; R45-F47 HydrophobicContact CG-CZ 4.07Å; R45-F47 VanDerWaalsContact NE-CZ 3.3Å; R45-Y55 PolarHBondContact NH2-OH 3.47Å; R45-G141 CarbonylContact O-C 3.59Å; R45-G141 WeakPolarHBondContact O-CA 3.4Å; R45-Y142 PolarHBondContact O-N 2.77Å
46	L	91.5	Very high	79	Confident	67 Å²	67	97.1 Å²	97.1	35%	0.351	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	144.9	170.3	-56.4	-178.1	0	0	0	110.3	Y142 I147	L46-Y142 CarbonylContact C-O 3.52Å; L46-Y142 WeakPolarHBondContact CA-O 3.36Å; L46-I147 HydrophobicContact CD2-CD1 3.47Å; L46-I147 VanDerWaalsContact CD2-CD1 3.47Å; L46-I147 HydrophobicContact CD2-CG1 4.22Å
47	F	92.9	Very high	81.3	Confident	1 Å²	1	86.5 Å²	86.5	0%	0.004	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	120	177.6	-68.6	-98.5	0	0	0	109.5	R45 L52 Y55 Y65 V72 V140 Y142 T143 A144	R45-F47 HydrophobicContact CB-CE2 4.22Å; R45-F47 VanDerWaalsContact CD-CZ 3.44Å; R45-F47 HydrophobicContact CG-CD2 4.17Å; R45-F47 HydrophobicContact CG-CE2 3.71Å; R45-F47 HydrophobicContact CG-CZ 4.07Å; R45-F47 VanDerWaalsContact NE-CZ 3.3Å; F47-L52 HydrophobicContact CB-CB 4.32Å; F47-L52 HydrophobicContact CD1-CD1 4.28Å; F47-Y55 HydrophobicContact CE1-CD2 4.45Å; F47-Y55 HydrophobicContact CE1-CE2 4.07Å; F47-Y65 AromaticContact CE1-CD2 3.76Å; F47-Y65 HydrophobicContact CE1-CD2 3.76Å; F47-Y65 AromaticContact CE1-CE2 3.75Å; F47-Y65 HydrophobicContact CE1-CE2 3.75Å; F47-Y65 HydrophobicContact CZ-CD2 4.05Å; F47-Y65 AromaticContact CZ-CE2 3.88Å; F47-Y65 HydrophobicContact CZ-CE2 3.88Å; F47-V72 HydrophobicContact CB-CG2 4.35Å; F47-V72 HydrophobicContact CD2-CB 4.15Å; F47-V72 HydrophobicContact CD2-CG1 4.23Å; F47-V72 HydrophobicContact CD2-CG2 3.71Å; F47-V72 HydrophobicContact CE2-CB 4.15Å; F47-V72 HydrophobicContact CE2-CG1 4.03Å; F47-V72 HydrophobicContact CE2-CG2 4.22Å; F47-V72 HydrophobicContact CG-CG2 4.19Å; F47-V72 HydrophobicContact CZ-CG1 4.26Å; F47-V140 HydrophobicContact CE2-CG2 4.39Å; F47-V140 HydrophobicContact CZ-CG2 4.23Å; F47-Y142 PolarHBondContact N-O 3.06Å; F47-T143 CarbonylContact O-C 2.97Å; F47-T143 WeakPolarHBondContact O-CA 3.35Å; F47-A144 PolarHBondContact O-N 2.89Å
48	T	93.7	Very high	82.9	Confident	55 Å²	55	85.9 Å²	85.9	34%	0.337	45%	0.451	S	S	.	.			trans	-66.4	163.6	160.4	58.2	0	0	0	0	110.3	E50 E51 L52 A144	T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.85Å; T48-E51 PolarHBondContact N-OE2 2.89Å; T48-E51 PolarHBondContact O-N 2.8Å; T48-E51 VanDerWaalsContact OG1-CB 3.28Å; T48-E51 WeakPolarHBondContact OG1-CB 3.28Å; T48-E51 WeakPolarHBondContact OG1-CG 3.44Å; T48-E51 PolarHBondContact OG1-N 3.28Å; T48-E51 PolarHBondContact OG1-OE2 2.92Å; T48-L52 WeakPolarHBondContact O-CB 3.1Å; T48-L52 PolarHBondContact O-N 3.42Å; T48-A144 HydrophobicContact CG2-CB 4.49Å
49	E	92.2	Very high	84.4	Confident	112 Å²	112	88 Å²	88	52%	0.523	45%	0.446	S	S	.	.	H	α-helix	trans	-63.1	-38.6	177.8	-64.5	-171.5	175.7	0	0	110.6	L52 A53 H112 R145	E49-L52 PolarHBondContact O-N 3.18Å; E49-A53 WeakPolarHBondContact O-CB 3.07Å; E49-A53 PolarHBondContact O-N 2.76Å; E49-H112 IonicContact OE1-ND1 2.79Å; E49-R145 IonicContact OE1-NE 2.86Å
50	E	94.5	Very high	85.9	Confident	133 Å²	133	85.4 Å²	85.4	62%	0.621	43%	0.434	S	S	*	.	H	α-helix	trans	-68.2	-36.9	178.8	-57.2	83	174.9	0	0	112.4	T48	T48-E50 VanDerWaalsContact C-N 3.26Å; T48-E50 WeakPolarHBondContact CB-OE2 3.25Å; T48-E50 PolarHBondContact O-N 2.85Å
51	E	95.6	Very high	87.6	Confident	72 Å²	72	81.8 Å²	81.8	34%	0.336	43%	0.433	S	S	.	.	H	α-helix	trans	-69.9	-42.7	173.6	-75.4	168.3	139.9	0	0	111.5	T48 A53 R54 Y55	T48-E51 PolarHBondContact N-OE2 2.89Å; T48-E51 PolarHBondContact O-N 2.8Å; T48-E51 VanDerWaalsContact OG1-CB 3.28Å; T48-E51 WeakPolarHBondContact OG1-CB 3.28Å; T48-E51 WeakPolarHBondContact OG1-CG 3.44Å; T48-E51 PolarHBondContact OG1-N 3.28Å; T48-E51 PolarHBondContact OG1-OE2 2.92Å; E51-A53 VanDerWaalsContact C-N 3.31Å; E51-A53 PolarHBondContact O-N 2.86Å; E51-R54 WeakPolarHBondContact O-CB 3.3Å; E51-R54 PolarHBondContact O-N 2.93Å; E51-Y55 VanDerWaalsContact O-CD2 3.24Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 WeakPolarHBondContact O-CE2 3.24Å
52	L	96.6	Very high	89.4	Confident	3 Å²	3	82.1 Å²	82.1	2%	0.016	42%	0.42	C	S	.	.	H	α-helix	trans	-64.3	-38.4	179.4	-170.8	58.2	0	0	0	111.2	F47 T48 E49 R54 Y55 Y65 A67 V72 G93 T143	F47-L52 HydrophobicContact CB-CB 4.32Å; F47-L52 HydrophobicContact CD1-CD1 4.28Å; T48-L52 WeakPolarHBondContact O-CB 3.1Å; T48-L52 PolarHBondContact O-N 3.42Å; E49-L52 PolarHBondContact O-N 3.18Å; L52-R54 PolarHBondContact O-N 3.43Å; L52-R54 VanDerWaalsContact O-N 3.08Å; L52-Y55 PolarHBondContact O-N 3.34Å; L52-Y65 HydrophobicContact CD1-CD2 4.33Å; L52-A67 HydrophobicContact CD2-CB 3.71Å; L52-V72 HydrophobicContact CD1-CG1 3.77Å; L52-V72 HydrophobicContact CD1-CG2 4.45Å; L52-G93 CarbonylContact C-O 3.49Å; L52-G93 VanDerWaalsContact C-O 3.27Å; L52-G93 VanDerWaalsContact O-CA 3.25Å; L52-G93 WeakPolarHBondContact O-CA 3.37Å; L52-T143 HydrophobicContact CD2-CG2 4.36Å
53	A	96.9	Very high	91.2	Very high	60 Å²	60	79.8 Å²	79.8	50%	0.496	41%	0.405	S	S	.	.	H	α-helix	trans	-56.4	-25.9	178	0	0	0	0	0	114	E49 E51 Y55 G93	E49-A53 WeakPolarHBondContact O-CB 3.07Å; E49-A53 PolarHBondContact O-N 2.76Å; E51-A53 VanDerWaalsContact C-N 3.31Å; E51-A53 PolarHBondContact O-N 2.86Å; A53-Y55 PolarHBondContact O-N 3.42Å; A53-G93 WeakPolarHBondContact CA-O 3.48Å; A53-G93 PolarHBondContact N-O 3.07Å
54	R	96.8	Very high	92.8	Very high	168 Å²	168	73.8 Å²	73.8	63%	0.634	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.3	176.1	-60.1	177.4	-172.5	174.2	2.5	112.6	E51 L52 Q62	E51-R54 WeakPolarHBondContact O-CB 3.3Å; E51-R54 PolarHBondContact O-N 2.93Å; L52-R54 PolarHBondContact O-N 3.43Å; L52-R54 VanDerWaalsContact O-N 3.08Å; R54-Q62 PolarHBondContact O-NE2 3.17Å; R54-Q62 PolarHBondContact O-OE1 2.93Å; R54-Q62 VanDerWaalsContact O-OE1 3.13Å
55	Y	97.7	Very high	93.8	Very high	41 Å²	41	71.6 Å²	71.6	16%	0.161	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	32.8	-175.3	-57.6	-85.2	0	0	0	112.3	R45 F47 E51 L52 A53 G57 Q62 P63 I64 Y65	R45-Y55 PolarHBondContact NH2-OH 3.47Å; F47-Y55 HydrophobicContact CE1-CD2 4.45Å; F47-Y55 HydrophobicContact CE1-CE2 4.07Å; E51-Y55 VanDerWaalsContact O-CD2 3.24Å; E51-Y55 WeakPolarHBondContact O-CD2 3.4Å; E51-Y55 WeakPolarHBondContact O-CE2 3.24Å; L52-Y55 PolarHBondContact O-N 3.34Å; A53-Y55 PolarHBondContact O-N 3.42Å; Y55-G57 PolarHBondContact O-N 2.87Å; Y55-Q62 HydrophobicContact CD1-CG 4.05Å; Y55-Q62 HydrophobicContact CE1-CG 4.39Å; Y55-P63 HydrophobicContact CD1-CB 4.27Å; Y55-P63 WeakPolarHBondContact CD1-O 3.49Å; Y55-I64 WeakPolarHBondContact O-CA 3.32Å; Y55-Y65 AromaticContact CD1-CD2 3.66Å; Y55-Y65 HydrophobicContact CD1-CD2 3.66Å; Y55-Y65 AromaticContact CD1-CE2 3.44Å; Y55-Y65 HydrophobicContact CD1-CE2 3.44Å; Y55-Y65 VanDerWaalsContact CD1-CE2 3.44Å; Y55-Y65 HydrophobicContact CD1-CG 4.32Å; Y55-Y65 AromaticContact CD1-CZ 3.97Å; Y55-Y65 AromaticContact CD2-CD2 3.44Å; Y55-Y65 HydrophobicContact CD2-CD2 3.44Å; Y55-Y65 VanDerWaalsContact CD2-CD2 3.44Å; Y55-Y65 AromaticContact CD2-CE2 3.73Å; Y55-Y65 HydrophobicContact CD2-CE2 3.73Å; Y55-Y65 HydrophobicContact CD2-CG 4.44Å; Y55-Y65 HydrophobicContact CE1-CD2 4.17Å; Y55-Y65 AromaticContact CE1-CE2 3.54Å; Y55-Y65 HydrophobicContact CE1-CE2 3.54Å; Y55-Y65 AromaticContact CE2-CD2 3.97Å; Y55-Y65 HydrophobicContact CE2-CD2 3.97Å; Y55-Y65 AromaticContact CE2-CE2 3.81Å; Y55-Y65 HydrophobicContact CE2-CE2 3.81Å; Y55-Y65 AromaticContact CG-CD2 3.24Å; Y55-Y65 HydrophobicContact CG-CD2 3.24Å; Y55-Y65 AromaticContact CG-CE2 3.53Å; Y55-Y65 HydrophobicContact CG-CE2 3.53Å; Y55-Y65 AromaticContact CG-CG 3.93Å; Y55-Y65 HydrophobicContact CG-CG 3.93Å; Y55-Y65 AromaticContact CZ-CE2 3.7Å; Y55-Y65 PolarHBondContact O-N 3.24Å
56	G	96.7	Very high	94.2	Very high	12 Å²	12	66.8 Å²	66.8	12%	0.124	33%	0.333	C	S	.	.	S	Bend	trans	-76.1	9.8	178.9	0	0	0	0	0	115.4	E58 N89 T92	G56-E58 VanDerWaalsContact C-N 3.28Å; G56-E58 PolarHBondContact O-N 3.41Å; G56-N89 PolarHBondContact O-ND2 3.42Å; G56-T92 VanDerWaalsContact C-OG1 3.24Å; G56-T92 WeakPolarHBondContact CA-OG1 3.41Å; G56-T92 PolarHBondContact O-OG1 3.02Å
57	G	94.2	Very high	94.5	Very high	4 Å²	4	63.6 Å²	63.6	4%	0.041	32%	0.316	C	S	.	.	S	Bend	trans	67.5	21.2	176.7	0	0	0	0	0	116.1	Y55 R84	Y55-G57 PolarHBondContact O-N 2.87Å; G57-R84 PolarHBondContact O-N 3Å
58	E	91.2	Very high	94.8	Very high	105 Å²	105	63.6 Å²	63.6	49%	0.491	32%	0.316	S	S	.	.			trans	-71	-38.3	172.4	-65.6	-61.2	150.8	0	0	112.2	G56 R84	G56-E58 VanDerWaalsContact C-N 3.28Å; G56-E58 PolarHBondContact O-N 3.41Å; E58-R84 WeakPolarHBondContact O-CD 3.39Å; E58-R84 IonicContact OE2-NE 2.88Å
59	E	90.4	Very high	94.8	Very high	130 Å²	130	64.3 Å²	64.3	61%	0.607	31%	0.314	S	S	*	.	S	Bend	trans	-92.6	132.8	-179.7	-60.8	-60.4	154.6	0	0	110.9	D61 Q62	E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 2.92Å; E59-Q62 HydrophobicContact CB-CB 3.92Å; E59-Q62 PolarHBondContact O-N 3.3Å
60	E	82.8	Confident	94.9	Very high	142 Å²	142	59.1 Å²	59.1	66%	0.664	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-30	-172.4	-74.9	-144.4	84.1	0	0	114.8	K79	E60-K79 PolarHBondContact O-NZ 3.24Å; E60-K79 IonicContact OE1-NZ 3.85Å; E60-K79 PolarHBondContact OE1-NZ 3.05Å
61	D	88.8	Confident	94.9	Very high	168 Å²	168	52.9 Å²	52.9	90%	0.898	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	3.8	-175	-61.9	-46.3	0	0	0	112.8	E59	E59-D61 VanDerWaalsContact C-N 3.33Å; E59-D61 PolarHBondContact O-N 2.92Å
62	Q	93.9	Very high	94.9	Very high	60 Å²	60	49.4 Å²	49.4	28%	0.28	25%	0.246	S	C	.	.	S	Bend	trans	-101	143.9	-179.7	-166.3	176	-4.8	0	0	111.2	R54 Y55 E59	R54-Q62 PolarHBondContact O-NE2 3.17Å; R54-Q62 PolarHBondContact O-OE1 2.93Å; R54-Q62 VanDerWaalsContact O-OE1 3.13Å; Y55-Q62 HydrophobicContact CD1-CG 4.05Å; Y55-Q62 HydrophobicContact CE1-CG 4.39Å; E59-Q62 HydrophobicContact CB-CB 3.92Å; E59-Q62 PolarHBondContact O-N 3.3Å
63	P	97.3	Very high	95	Very high	46 Å²	46	49.3 Å²	49.3	30%	0.299	25%	0.245	S	C	.	.			trans	-57.4	149.3	169.2	-24	33.5	0	0	0	112.4	Y55 Y65 T76	Y55-P63 HydrophobicContact CD1-CB 4.27Å; Y55-P63 WeakPolarHBondContact CD1-O 3.49Å; P63-Y65 HydrophobicContact CB-CD1 4.18Å; P63-Y65 HydrophobicContact CB-CE1 3.4Å; P63-Y65 HydrophobicContact CG-CE1 4.49Å; P63-T76 VanDerWaalsContact CA-OG1 3.3Å; P63-T76 WeakPolarHBondContact CA-OG1 3.36Å
64	I	98.5	Very high	95	Very high	4 Å²	4	48 Å²	48	2%	0.021	23%	0.23	C	C	.	.			trans	-110.6	118.2	179.3	-46.2	178.8	0	0	0	108.2	Y55 V75 T76 K79 T92	Y55-I64 WeakPolarHBondContact O-CA 3.32Å; I64-V75 HydrophobicContact CB-CG2 4.07Å; I64-V75 HydrophobicContact CG2-CG2 3.77Å; I64-V75 VanDerWaalsContact O-CG2 3.27Å; I64-V75 WeakPolarHBondContact O-CG2 3.5Å; I64-V75 PolarHBondContact O-N 2.9Å; I64-T76 PolarHBondContact N-OG1 2.79Å; I64-K79 HydrophobicContact CD1-CB 4.18Å; I64-K79 HydrophobicContact CD1-CG 4.04Å; I64-T92 HydrophobicContact CG2-CG2 3.58Å
65	Y	98.5	Very high	95.1	Very high	20 Å²	20	40 Å²	40	8%	0.078	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.7	-177.7	-60.1	-20.5	0	0	0	111.9	F47 L52 Y55 P63 V72 F73 D74 T92 G93 V140	F47-Y65 AromaticContact CE1-CD2 3.76Å; F47-Y65 HydrophobicContact CE1-CD2 3.76Å; F47-Y65 AromaticContact CE1-CE2 3.75Å; F47-Y65 HydrophobicContact CE1-CE2 3.75Å; F47-Y65 HydrophobicContact CZ-CD2 4.05Å; F47-Y65 AromaticContact CZ-CE2 3.88Å; F47-Y65 HydrophobicContact CZ-CE2 3.88Å; L52-Y65 HydrophobicContact CD1-CD2 4.33Å; Y55-Y65 AromaticContact CD1-CD2 3.66Å; Y55-Y65 HydrophobicContact CD1-CD2 3.66Å; Y55-Y65 AromaticContact CD1-CE2 3.44Å; Y55-Y65 HydrophobicContact CD1-CE2 3.44Å; Y55-Y65 VanDerWaalsContact CD1-CE2 3.44Å; Y55-Y65 HydrophobicContact CD1-CG 4.32Å; Y55-Y65 AromaticContact CD1-CZ 3.97Å; Y55-Y65 AromaticContact CD2-CD2 3.44Å; Y55-Y65 HydrophobicContact CD2-CD2 3.44Å; Y55-Y65 VanDerWaalsContact CD2-CD2 3.44Å; Y55-Y65 AromaticContact CD2-CE2 3.73Å; Y55-Y65 HydrophobicContact CD2-CE2 3.73Å; Y55-Y65 HydrophobicContact CD2-CG 4.44Å; Y55-Y65 HydrophobicContact CE1-CD2 4.17Å; Y55-Y65 AromaticContact CE1-CE2 3.54Å; Y55-Y65 HydrophobicContact CE1-CE2 3.54Å; Y55-Y65 AromaticContact CE2-CD2 3.97Å; Y55-Y65 HydrophobicContact CE2-CD2 3.97Å; Y55-Y65 AromaticContact CE2-CE2 3.81Å; Y55-Y65 HydrophobicContact CE2-CE2 3.81Å; Y55-Y65 AromaticContact CG-CD2 3.24Å; Y55-Y65 HydrophobicContact CG-CD2 3.24Å; Y55-Y65 AromaticContact CG-CE2 3.53Å; Y55-Y65 HydrophobicContact CG-CE2 3.53Å; Y55-Y65 AromaticContact CG-CG 3.93Å; Y55-Y65 HydrophobicContact CG-CG 3.93Å; Y55-Y65 AromaticContact CZ-CE2 3.7Å; Y55-Y65 PolarHBondContact O-N 3.24Å; P63-Y65 HydrophobicContact CB-CD1 4.18Å; P63-Y65 HydrophobicContact CB-CE1 3.4Å; P63-Y65 HydrophobicContact CG-CE1 4.49Å; Y65-V72 HydrophobicContact CD2-CG1 4.4Å; Y65-V72 HydrophobicContact CG-CG1 4.27Å; Y65-F73 WeakPolarHBondContact CA-O 3.35Å; Y65-D74 HydrophobicContact CD1-CB 4.05Å; Y65-D74 HydrophobicContact CE1-CB 3.87Å; Y65-T92 CarbonylContact O-C 3.59Å; Y65-T92 WeakPolarHBondContact O-CA 3.32Å; Y65-T92 WeakPolarHBondContact O-CB 3.16Å; Y65-G93 PolarHBondContact O-N 2.77Å; Y65-V140 HydrophobicContact CD1-CG2 4.28Å; Y65-V140 HydrophobicContact CE1-CG2 4.18Å; Y65-V140 HydrophobicContact CE2-CG2 4.48Å
66	L	98.3	Very high	95.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.7	177.1	168.1	64.6	0	0	0	108.3	V68 F73 V75 Y82 L91 Y133	L66-V68 HydrophobicContact CD1-CG2 4.39Å; L66-V68 HydrophobicContact CD2-CG2 4.14Å; L66-V68 HydrophobicContact CG-CG2 3.98Å; L66-F73 PolarHBondContact N-O 2.72Å; L66-F73 PolarHBondContact O-N 3.23Å; L66-V75 HydrophobicContact CB-CG1 4.04Å; L66-V75 HydrophobicContact CB-CG2 4.15Å; L66-V75 HydrophobicContact CD2-CG1 4.37Å; L66-Y82 HydrophobicContact CD2-CE1 4.36Å; L66-L91 HydrophobicContact CD1-CB 3.8Å; L66-L91 WeakPolarHBondContact CD1-O 3.48Å; L66-Y133 HydrophobicContact CD2-CD1 4.25Å; L66-Y133 HydrophobicContact CD2-CE1 3.42Å; L66-Y133 VanDerWaalsContact CD2-CE1 3.42Å
67	A	98.1	Very high	95.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.7	170.4	0	0	0	0	0	111.9	L52 V71 V72 K94 D95 S96 T143	L52-A67 HydrophobicContact CD2-CB 3.71Å; A67-V71 VanDerWaalsContact CA-O 3.23Å; A67-V71 WeakPolarHBondContact CA-O 3.45Å; A67-V72 HydrophobicContact CB-CG2 4.19Å; A67-K94 PolarHBondContact N-O 3.42Å; A67-D95 HydrophobicContact CB-CB 3.77Å; A67-D95 WeakPolarHBondContact O-CA 3.32Å; A67-S96 PolarHBondContact O-N 2.89Å; A67-T143 HydrophobicContact CB-CG2 3.58Å
68	V	97.2	Very high	95.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.3	172.9	-171.4	0	0	0	0	107.9	L66 G70 V71 F73 V100 L125 F129 Y133	L66-V68 HydrophobicContact CD1-CG2 4.39Å; L66-V68 HydrophobicContact CD2-CG2 4.14Å; L66-V68 HydrophobicContact CG-CG2 3.98Å; V68-G70 PolarHBondContact O-N 2.87Å; V68-V71 PolarHBondContact N-O 2.92Å; V68-V71 WeakPolarHBondContact O-CB 3.43Å; V68-V71 PolarHBondContact O-N 2.87Å; V68-F73 HydrophobicContact CB-CE2 4.18Å; V68-V100 HydrophobicContact CG1-CB 4.28Å; V68-V100 HydrophobicContact CG1-CG1 4.21Å; V68-V100 HydrophobicContact CG1-CG2 4.29Å; V68-V100 HydrophobicContact CG2-CG2 3.98Å; V68-L125 HydrophobicContact CG1-CD1 3.73Å; V68-F129 HydrophobicContact CB-CD2 4.12Å; V68-F129 HydrophobicContact CG1-CD2 3.93Å; V68-F129 WeakPolarHBondContact O-CE2 3.4Å; V68-Y133 HydrophobicContact CG2-CD2 4.1Å; V68-Y133 HydrophobicContact CG2-CE2 3.99Å
69	K	95.1	Very high	95.4	Very high	70 Å²	70	42.9 Å²	42.9	30%	0.304	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	32.2	-168.9	-59.4	-178.5	70	178.1	0	112.6	V71 T97 L125 D126 F129 R146	K69-V71 PolarHBondContact O-N 2.53Å; K69-T97 WeakPolarHBondContact CA-OG1 3.45Å; K69-T97 HydrophobicContact CG-CG2 4.23Å; K69-T97 PolarHBondContact N-OG1 2.92Å; K69-L125 HydrophobicContact CD-CD2 4.33Å; K69-L125 HydrophobicContact CD-CG 4.21Å; K69-L125 HydrophobicContact CG-CD1 4.23Å; K69-L125 HydrophobicContact CG-CD2 4.04Å; K69-L125 HydrophobicContact CG-CG 4.17Å; K69-D126 IonicContact NZ-OD1 3.77Å; K69-D126 PolarHBondContact NZ-OD1 2.91Å; K69-F129 HydrophobicContact CB-CD2 4.24Å; K69-F129 HydrophobicContact CB-CE2 4.04Å; K69-F129 HydrophobicContact CD-CB 4.2Å; K69-F129 HydrophobicContact CD-CD1 4.14Å; K69-F129 HydrophobicContact CD-CD2 3.93Å; K69-F129 HydrophobicContact CD-CE1 4.5Å; K69-F129 HydrophobicContact CD-CE2 4.32Å; K69-F129 HydrophobicContact CD-CG 3.83Å; K69-F129 HydrophobicContact CG-CD2 4.1Å; K69-F129 HydrophobicContact CG-CE2 4.4Å; K69-F129 HydrophobicContact CG-CG 4.47Å; K69-R146 PolarHBondContact O-NH1 3.36Å
70	G	93.3	Very high	95.7	Very high	3 Å²	3	43.6 Å²	43.6	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	8.6	-174.9	0	0	0	0	0	115.6	V68 D95 Y142 T143 R146	V68-G70 PolarHBondContact O-N 2.87Å; G70-D95 VanDerWaalsContact CA-OD2 3.26Å; G70-D95 WeakPolarHBondContact CA-OD2 3.23Å; G70-D95 PolarHBondContact N-OD2 3.4Å; G70-D95 VanDerWaalsContact N-OD2 3.13Å; G70-Y142 CarbonylContact O-C 3.56Å; G70-Y142 VanDerWaalsContact O-CA 3.32Å; G70-Y142 WeakPolarHBondContact O-CA 3.5Å; G70-Y142 WeakPolarHBondContact O-CB 3.36Å; G70-T143 WeakPolarHBondContact CA-OG1 3.38Å; G70-T143 PolarHBondContact O-N 2.73Å; G70-T143 PolarHBondContact O-OG1 3.01Å; G70-R146 WeakPolarHBondContact O-CD 3.09Å
71	V	95	Very high	96.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.9	171.6	-173.8	0	0	0	0	108.7	A67 V68 K69 F73 F129 I139 Y142	A67-V71 VanDerWaalsContact CA-O 3.23Å; A67-V71 WeakPolarHBondContact CA-O 3.45Å; V68-V71 PolarHBondContact N-O 2.92Å; V68-V71 WeakPolarHBondContact O-CB 3.43Å; V68-V71 PolarHBondContact O-N 2.87Å; K69-V71 PolarHBondContact O-N 2.53Å; V71-F73 HydrophobicContact CB-CE2 3.98Å; V71-F73 HydrophobicContact CB-CZ 4.16Å; V71-F73 HydrophobicContact CG1-CE1 4.32Å; V71-F73 HydrophobicContact CG1-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CZ 3.88Å; V71-F73 WeakPolarHBondContact O-CD2 3.37Å; V71-F129 HydrophobicContact CB-CE2 4Å; V71-F129 HydrophobicContact CB-CZ 4.2Å; V71-F129 HydrophobicContact CG2-CE2 3.89Å; V71-F129 HydrophobicContact CG2-CZ 3.71Å; V71-I139 HydrophobicContact CG1-CB 4.3Å; V71-I139 HydrophobicContact CG1-CD1 3.92Å; V71-I139 HydrophobicContact CG1-CG1 3.81Å; V71-I139 HydrophobicContact CG1-CG2 3.57Å; V71-Y142 HydrophobicContact CB-CD1 4.23Å; V71-Y142 HydrophobicContact CB-CE1 4.26Å; V71-Y142 HydrophobicContact CG1-CD1 4.31Å; V71-Y142 HydrophobicContact CG1-CE1 4.03Å; V71-Y142 HydrophobicContact CG2-CD1 3.87Å; V71-Y142 HydrophobicContact CG2-CE1 3.7Å
72	V	96.8	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	117.7	-177.4	-174.5	0	0	0	0	109.4	F47 L52 Y65 A67 I139 V140 G141 T143	F47-V72 HydrophobicContact CB-CG2 4.35Å; F47-V72 HydrophobicContact CD2-CB 4.15Å; F47-V72 HydrophobicContact CD2-CG1 4.23Å; F47-V72 HydrophobicContact CD2-CG2 3.71Å; F47-V72 HydrophobicContact CE2-CB 4.15Å; F47-V72 HydrophobicContact CE2-CG1 4.03Å; F47-V72 HydrophobicContact CE2-CG2 4.22Å; F47-V72 HydrophobicContact CG-CG2 4.19Å; F47-V72 HydrophobicContact CZ-CG1 4.26Å; L52-V72 HydrophobicContact CD1-CG1 3.77Å; L52-V72 HydrophobicContact CD1-CG2 4.45Å; Y65-V72 HydrophobicContact CD2-CG1 4.4Å; Y65-V72 HydrophobicContact CG-CG1 4.27Å; A67-V72 HydrophobicContact CB-CG2 4.19Å; V72-I139 WeakPolarHBondContact O-CA 3.27Å; V72-V140 HydrophobicContact CB-CG2 4.25Å; V72-V140 HydrophobicContact CG1-CG2 3.73Å; V72-V140 PolarHBondContact O-N 3.04Å; V72-G141 PolarHBondContact N-O 2.98Å; V72-T143 HydrophobicContact CG2-CG2 4.16Å
73	F	97.5	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.6	176.3	-62.3	-82.5	0	0	0	110.7	Y65 L66 V68 V71 V75 F129 Y133 K134 P138 I139	Y65-F73 WeakPolarHBondContact CA-O 3.35Å; L66-F73 PolarHBondContact N-O 2.72Å; L66-F73 PolarHBondContact O-N 3.23Å; V68-F73 HydrophobicContact CB-CE2 4.18Å; V71-F73 HydrophobicContact CB-CE2 3.98Å; V71-F73 HydrophobicContact CB-CZ 4.16Å; V71-F73 HydrophobicContact CG1-CE1 4.32Å; V71-F73 HydrophobicContact CG1-CE2 4.06Å; V71-F73 HydrophobicContact CG1-CZ 3.88Å; V71-F73 WeakPolarHBondContact O-CD2 3.37Å; F73-V75 HydrophobicContact CB-CG1 4.16Å; F73-V75 PolarHBondContact O-N 3.49Å; F73-F129 HydrophobicContact CE2-CD2 4.1Å; F73-F129 AromaticContact CE2-CE2 3.68Å; F73-F129 HydrophobicContact CE2-CE2 3.68Å; F73-F129 HydrophobicContact CZ-CD2 4.1Å; F73-F129 AromaticContact CZ-CE2 3.56Å; F73-F129 HydrophobicContact CZ-CE2 3.56Å; F73-F129 HydrophobicContact CZ-CZ 4.07Å; F73-Y133 HydrophobicContact CD2-CG 4.47Å; F73-Y133 HydrophobicContact CE2-CG 4.48Å; F73-K134 HydrophobicContact CE1-CG 4.11Å; F73-K134 HydrophobicContact CZ-CG 4.1Å; F73-P138 WeakPolarHBondContact CA-O 3.09Å; F73-I139 HydrophobicContact CD1-CG1 3.93Å; F73-I139 HydrophobicContact CE1-CD1 4.25Å; F73-I139 HydrophobicContact CE1-CG1 3.6Å; F73-I139 HydrophobicContact CZ-CG1 4.41Å
74	D	97.8	Very high	96.8	Very high	33 Å²	33	37.5 Å²	37.5	18%	0.176	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	106.8	165.2	-174.3	-20.4	0	0	0	109.7	Y65 T76 Y137 P138 V140	Y65-D74 HydrophobicContact CD1-CB 4.05Å; Y65-D74 HydrophobicContact CE1-CB 3.87Å; D74-T76 WeakPolarHBondContact OD1-CB 3.48Å; D74-T76 PolarHBondContact OD1-N 3.22Å; D74-T76 PolarHBondContact OD1-OG1 3.19Å; D74-Y137 WeakPolarHBondContact O-CB 3.38Å; D74-Y137 WeakPolarHBondContact O-CD1 3.33Å; D74-P138 HydrophobicContact CB-CG 4.09Å; D74-P138 PolarHBondContact N-O 3.17Å; D74-V140 HydrophobicContact CB-CG1 3.72Å; D74-V140 HydrophobicContact CB-CG2 4.41Å
75	V	98.1	Very high	96.7	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.			trans	-100.5	14.9	-178.5	-59.8	0	0	0	0	112.6	I64 L66 F73 S77 G78 Y82 T92 Y137	I64-V75 HydrophobicContact CB-CG2 4.07Å; I64-V75 HydrophobicContact CG2-CG2 3.77Å; I64-V75 VanDerWaalsContact O-CG2 3.27Å; I64-V75 WeakPolarHBondContact O-CG2 3.5Å; I64-V75 PolarHBondContact O-N 2.9Å; L66-V75 HydrophobicContact CB-CG1 4.04Å; L66-V75 HydrophobicContact CB-CG2 4.15Å; L66-V75 HydrophobicContact CD2-CG1 4.37Å; F73-V75 HydrophobicContact CB-CG1 4.16Å; F73-V75 PolarHBondContact O-N 3.49Å; V75-S77 PolarHBondContact O-N 3.11Å; V75-G78 CarbonylContact O-C 3.51Å; V75-G78 WeakPolarHBondContact O-CA 3.45Å; V75-G78 PolarHBondContact O-N 2.87Å; V75-Y82 HydrophobicContact CB-CD2 3.62Å; V75-Y82 HydrophobicContact CB-CE2 3.85Å; V75-Y82 HydrophobicContact CB-CG 4.14Å; V75-Y82 HydrophobicContact CG1-CD2 4.47Å; V75-Y82 HydrophobicContact CG1-CE2 4.26Å; V75-Y82 HydrophobicContact CG2-CD1 4.33Å; V75-Y82 HydrophobicContact CG2-CD2 3.78Å; V75-Y82 HydrophobicContact CG2-CE2 4.36Å; V75-Y82 HydrophobicContact CG2-CG 3.77Å; V75-T92 HydrophobicContact CG2-CG2 4.38Å; V75-Y137 HydrophobicContact CB-CD1 4.21Å; V75-Y137 HydrophobicContact CB-CE1 4.21Å; V75-Y137 HydrophobicContact CG1-CD1 4.07Å; V75-Y137 HydrophobicContact CG1-CD2 4.05Å; V75-Y137 HydrophobicContact CG1-CE1 4.32Å; V75-Y137 HydrophobicContact CG1-CE2 4.31Å; V75-Y137 HydrophobicContact CG1-CG 3.93Å
76	T	97.6	Very high	96.6	Very high	48 Å²	48	41 Å²	41	29%	0.294	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.8	-35.9	-178.3	-52.4	0	0	0	0	112.3	P63 I64 D74 G78 K79	P63-T76 VanDerWaalsContact CA-OG1 3.3Å; P63-T76 WeakPolarHBondContact CA-OG1 3.36Å; I64-T76 PolarHBondContact N-OG1 2.79Å; D74-T76 WeakPolarHBondContact OD1-CB 3.48Å; D74-T76 PolarHBondContact OD1-N 3.22Å; D74-T76 PolarHBondContact OD1-OG1 3.19Å; T76-G78 PolarHBondContact O-N 2.8Å; T76-G78 VanDerWaalsContact O-N 3.11Å; T76-K79 WeakPolarHBondContact O-CB 3.17Å; T76-K79 PolarHBondContact O-N 3.47Å
77	S	96.7	Very high	96.5	Very high	92 Å²	92	44.9 Å²	44.9	64%	0.643	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-62.2	-17.8	175.5	60.3	0	0	0	0	113.5	V75 Y137	V75-S77 PolarHBondContact O-N 3.11Å; S77-Y137 WeakPolarHBondContact OG-CE1 2.99Å
78	G	95.9	Very high	96.5	Very high	3 Å²	3	50 Å²	50	3%	0.031	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-103.2	32.1	173.3	0	0	0	0	0	113.7	V75 T76 E80 F81 Y82	V75-G78 CarbonylContact O-C 3.51Å; V75-G78 WeakPolarHBondContact O-CA 3.45Å; V75-G78 PolarHBondContact O-N 2.87Å; T76-G78 PolarHBondContact O-N 2.8Å; T76-G78 VanDerWaalsContact O-N 3.11Å; G78-E80 PolarHBondContact O-N 3.07Å; G78-F81 WeakPolarHBondContact O-CA 3.39Å; G78-F81 WeakPolarHBondContact O-CB 3.33Å; G78-F81 PolarHBondContact O-N 3.11Å; G78-Y82 VanDerWaalsContact O-CD2 3.24Å; G78-Y82 WeakPolarHBondContact O-CD2 3.46Å; G78-Y82 PolarHBondContact O-N 3.3Å; G78-Y82 VanDerWaalsContact O-N 3.07Å
79	K	95.9	Very high	96.5	Very high	80 Å²	80	51.2 Å²	51.2	35%	0.348	27%	0.273	S	S	.	.	H	α-helix	trans	-51	-31	-177.8	-176.3	173.7	176.4	-177	0	113.8	E60 I64 T76 F81 Y82 G83	E60-K79 PolarHBondContact O-NZ 3.24Å; E60-K79 IonicContact OE1-NZ 3.85Å; E60-K79 PolarHBondContact OE1-NZ 3.05Å; I64-K79 HydrophobicContact CD1-CB 4.18Å; I64-K79 HydrophobicContact CD1-CG 4.04Å; T76-K79 WeakPolarHBondContact O-CB 3.17Å; T76-K79 PolarHBondContact O-N 3.47Å; K79-F81 PolarHBondContact O-N 3.07Å; K79-Y82 PolarHBondContact O-N 2.58Å; K79-G83 WeakPolarHBondContact O-CA 3.26Å; K79-G83 PolarHBondContact O-N 2.89Å
80	E	96.3	Very high	96.6	Very high	145 Å²	145	49.8 Å²	49.8	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-63.3	-21.5	174.6	70.4	-163.6	96.4	0	0	114.3	G78 A86	G78-E80 PolarHBondContact O-N 3.07Å; E80-A86 WeakPolarHBondContact O-CB 3.23Å
81	F	96.9	Very high	96.9	Very high	84 Å²	84	50.2 Å²	50.2	37%	0.368	28%	0.276	S	S	.	.	H	α-helix	trans	-103	-33.9	178	-60.4	-67.6	0	0	0	112.7	G78 K79 A86 Y88 N89	G78-F81 WeakPolarHBondContact O-CA 3.39Å; G78-F81 WeakPolarHBondContact O-CB 3.33Å; G78-F81 PolarHBondContact O-N 3.11Å; K79-F81 PolarHBondContact O-N 3.07Å; F81-A86 WeakPolarHBondContact O-CB 3.48Å; F81-Y88 HydrophobicContact CB-CD2 3.94Å; F81-Y88 HydrophobicContact CD1-CD2 4.29Å; F81-Y88 HydrophobicContact CD1-CE2 4.15Å; F81-Y88 HydrophobicContact CG-CD2 4.47Å; F81-Y88 CarbonylContact O-C 3.57Å; F81-Y88 WeakPolarHBondContact O-CA 3.34Å; F81-Y88 VanDerWaalsContact O-CB 3.31Å; F81-Y88 WeakPolarHBondContact O-CB 3.5Å; F81-Y88 PolarHBondContact O-N 2.81Å; F81-N89 PolarHBondContact O-N 2.78Å
82	Y	97.6	Very high	97	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.047	28%	0.276	C	S	.	.	H	α-helix	trans	-115.8	-14.5	-168	-60	-66	0	0	0	114.8	L66 V75 G78 K79 Y88 N89 T92 Y137	L66-Y82 HydrophobicContact CD2-CE1 4.36Å; V75-Y82 HydrophobicContact CB-CD2 3.62Å; V75-Y82 HydrophobicContact CB-CE2 3.85Å; V75-Y82 HydrophobicContact CB-CG 4.14Å; V75-Y82 HydrophobicContact CG1-CD2 4.47Å; V75-Y82 HydrophobicContact CG1-CE2 4.26Å; V75-Y82 HydrophobicContact CG2-CD1 4.33Å; V75-Y82 HydrophobicContact CG2-CD2 3.78Å; V75-Y82 HydrophobicContact CG2-CE2 4.36Å; V75-Y82 HydrophobicContact CG2-CG 3.77Å; G78-Y82 VanDerWaalsContact O-CD2 3.24Å; G78-Y82 WeakPolarHBondContact O-CD2 3.46Å; G78-Y82 PolarHBondContact O-N 3.3Å; G78-Y82 VanDerWaalsContact O-N 3.07Å; K79-Y82 PolarHBondContact O-N 2.58Å; Y82-Y88 HydrophobicContact CE1-CD2 4.46Å; Y82-N89 WeakPolarHBondContact O-CA 3.49Å; Y82-N89 WeakPolarHBondContact O-CB 3.42Å; Y82-N89 PolarHBondContact O-ND2 2.9Å; Y82-T92 HydrophobicContact CD1-CG2 3.96Å; Y82-T92 HydrophobicContact CG-CG2 4.23Å; Y82-Y137 HydrophobicContact CE2-CE2 4.46Å; Y82-Y137 AromaticContact CE2-CZ 3.95Å
83	G	96.5	Very high	97.1	Very high	2 Å²	2	50.6 Å²	50.6	2%	0.021	28%	0.279	C	S	.	.	S	Bend	trans	-73.5	174.3	179.2	0	0	0	0	0	113.1	K79 G85 A86 N89	K79-G83 WeakPolarHBondContact O-CA 3.26Å; K79-G83 PolarHBondContact O-N 2.89Å; G83-G85 PolarHBondContact O-N 3.27Å; G83-A86 WeakPolarHBondContact O-CB 3.27Å; G83-A86 PolarHBondContact O-N 3.38Å; G83-N89 WeakPolarHBondContact O-CB 3.28Å
84	R	96.1	Very high	97.1	Very high	190 Å²	190	54.4 Å²	54.4	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	122.3	-179.9	-173.2	171.2	-177.9	-111.9	0.2	113	G57 E58 A86	G57-R84 PolarHBondContact O-N 3Å; E58-R84 WeakPolarHBondContact O-CD 3.39Å; E58-R84 IonicContact OE2-NE 2.88Å; R84-A86 PolarHBondContact O-N 2.92Å
85	G	95.1	Very high	97.1	Very high	80 Å²	80	53.4 Å²	53.4	83%	0.825	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	-0.2	179.9	0	0	0	0	0	115.4	G83	G83-G85 PolarHBondContact O-N 3.27Å
86	A	96.7	Very high	97.1	Very high	17 Å²	17	53.4 Å²	53.4	14%	0.14	29%	0.29	C	S	.	.			trans	-75	155.1	175.1	0	0	0	0	0	111.5	E80 F81 G83 R84 Y88 N89	E80-A86 WeakPolarHBondContact O-CB 3.23Å; F81-A86 WeakPolarHBondContact O-CB 3.48Å; G83-A86 WeakPolarHBondContact O-CB 3.27Å; G83-A86 PolarHBondContact O-N 3.38Å; R84-A86 PolarHBondContact O-N 2.92Å; A86-Y88 PolarHBondContact O-N 2.8Å; A86-Y88 VanDerWaalsContact O-N 3.11Å; A86-N89 WeakPolarHBondContact O-CB 3.26Å; A86-N89 PolarHBondContact O-N 2.84Å
87	P	97.4	Very high	97.1	Very high	82 Å²	82	51.3 Å²	51.3	53%	0.532	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.4	-168.7	23.5	-35.3	0	0	0	114.6	L105	P87-L105 VanDerWaalsContact O-CD1 3.29Å; P87-L105 WeakPolarHBondContact O-CD1 3.42Å
88	Y	97.2	Very high	97.2	Very high	107 Å²	107	49.1 Å²	49.1	42%	0.42	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	11.7	-177.1	-53.3	-40.4	0	0	0	113.2	F81 Y82 A86 A90 L91 L105	F81-Y88 HydrophobicContact CB-CD2 3.94Å; F81-Y88 HydrophobicContact CD1-CD2 4.29Å; F81-Y88 HydrophobicContact CD1-CE2 4.15Å; F81-Y88 HydrophobicContact CG-CD2 4.47Å; F81-Y88 CarbonylContact O-C 3.57Å; F81-Y88 WeakPolarHBondContact O-CA 3.34Å; F81-Y88 VanDerWaalsContact O-CB 3.31Å; F81-Y88 WeakPolarHBondContact O-CB 3.5Å; F81-Y88 PolarHBondContact O-N 2.81Å; Y82-Y88 HydrophobicContact CE1-CD2 4.46Å; A86-Y88 PolarHBondContact O-N 2.8Å; A86-Y88 VanDerWaalsContact O-N 3.11Å; Y88-A90 PolarHBondContact O-N 3.32Å; Y88-L91 WeakPolarHBondContact O-CB 3.34Å; Y88-L91 PolarHBondContact O-N 3.2Å; Y88-L91 VanDerWaalsContact O-N 3.17Å; Y88-L105 HydrophobicContact CD1-CD1 4.15Å; Y88-L105 HydrophobicContact CD1-CD2 4.41Å
89	N	97.6	Very high	97.2	Very high	26 Å²	26	49 Å²	49	14%	0.139	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-57.2	-34.6	178.9	175.5	-108.4	0	0	0	112.9	G56 F81 Y82 G83 A86 L91 T92	G56-N89 PolarHBondContact O-ND2 3.42Å; F81-N89 PolarHBondContact O-N 2.78Å; Y82-N89 WeakPolarHBondContact O-CA 3.49Å; Y82-N89 WeakPolarHBondContact O-CB 3.42Å; Y82-N89 PolarHBondContact O-ND2 2.9Å; G83-N89 WeakPolarHBondContact O-CB 3.28Å; A86-N89 WeakPolarHBondContact O-CB 3.26Å; A86-N89 PolarHBondContact O-N 2.84Å; N89-L91 PolarHBondContact O-N 2.95Å; N89-T92 WeakPolarHBondContact O-CB 3.24Å; N89-T92 PolarHBondContact O-N 3.11Å; N89-T92 PolarHBondContact O-OG1 3.3Å
90	A	97.9	Very high	97.3	Very high	40 Å²	40	45.7 Å²	45.7	33%	0.331	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-56.3	-27.3	179.5	0	0	0	0	0	114.2	Y88 T92 K94 L110	Y88-A90 PolarHBondContact O-N 3.32Å; A90-T92 VanDerWaalsContact C-N 3.31Å; A90-K94 PolarHBondContact O-NZ 3.17Å; A90-L110 HydrophobicContact CB-CD1 3.97Å; A90-L110 WeakPolarHBondContact O-CD1 3.48Å
91	L	97.9	Very high	97.4	Very high	12 Å²	12	38.9 Å²	38.9	6%	0.063	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-72	-25.6	178.3	-62.7	171.6	0	0	0	112.7	L66 Y88 N89 K94 S96 L105 L110	L66-L91 HydrophobicContact CD1-CB 3.8Å; L66-L91 WeakPolarHBondContact CD1-O 3.48Å; Y88-L91 WeakPolarHBondContact O-CB 3.34Å; Y88-L91 PolarHBondContact O-N 3.2Å; Y88-L91 VanDerWaalsContact O-N 3.17Å; N89-L91 PolarHBondContact O-N 2.95Å; L91-K94 WeakPolarHBondContact O-CG 3.33Å; L91-S96 WeakPolarHBondContact CA-OG 3.49Å; L91-S96 PolarHBondContact O-OG 2.98Å; L91-L105 HydrophobicContact CD1-CD2 4.01Å; L91-L105 HydrophobicContact CD2-CD2 3.84Å; L91-L105 HydrophobicContact CG-CD2 3.64Å; L91-L110 HydrophobicContact CD2-CD2 3.65Å
92	T	98.4	Very high	97.4	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.031	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	164.2	-168.8	69.8	0	0	0	0	112.7	G56 I64 Y65 V75 Y82 N89 A90 K94	G56-T92 VanDerWaalsContact C-OG1 3.24Å; G56-T92 WeakPolarHBondContact CA-OG1 3.41Å; G56-T92 PolarHBondContact O-OG1 3.02Å; I64-T92 HydrophobicContact CG2-CG2 3.58Å; Y65-T92 CarbonylContact O-C 3.59Å; Y65-T92 WeakPolarHBondContact O-CA 3.32Å; Y65-T92 WeakPolarHBondContact O-CB 3.16Å; V75-T92 HydrophobicContact CG2-CG2 4.38Å; Y82-T92 HydrophobicContact CD1-CG2 3.96Å; Y82-T92 HydrophobicContact CG-CG2 4.23Å; N89-T92 WeakPolarHBondContact O-CB 3.24Å; N89-T92 PolarHBondContact O-N 3.11Å; N89-T92 PolarHBondContact O-OG1 3.3Å; A90-T92 VanDerWaalsContact C-N 3.31Å; T92-K94 WeakPolarHBondContact O-CE 3.42Å; T92-K94 PolarHBondContact O-N 3.19Å
93	G	98	Very high	97.3	Very high	5 Å²	5	45 Å²	45	5%	0.052	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	12.4	-179	0	0	0	0	0	114.2	L52 A53 Y65	L52-G93 CarbonylContact C-O 3.49Å; L52-G93 VanDerWaalsContact C-O 3.27Å; L52-G93 VanDerWaalsContact O-CA 3.25Å; L52-G93 WeakPolarHBondContact O-CA 3.37Å; A53-G93 WeakPolarHBondContact CA-O 3.48Å; A53-G93 PolarHBondContact N-O 3.07Å; Y65-G93 PolarHBondContact O-N 2.77Å
94	K	97.7	Very high	97.3	Very high	79 Å²	79	45.7 Å²	45.7	34%	0.343	24%	0.244	S	C	.	.	S	Bend	trans	-156.1	173.9	-179	67.6	-162.2	65.7	147	0	111.2	A67 A90 L91 T92 S96 L110	A67-K94 PolarHBondContact N-O 3.42Å; A90-K94 PolarHBondContact O-NZ 3.17Å; L91-K94 WeakPolarHBondContact O-CG 3.33Å; T92-K94 WeakPolarHBondContact O-CE 3.42Å; T92-K94 PolarHBondContact O-N 3.19Å; K94-S96 WeakPolarHBondContact CG-OG 3.36Å; K94-L110 HydrophobicContact CD-CB 4.11Å
95	D	97.8	Very high	97.4	Very high	13 Å²	13	40.3 Å²	40.3	7%	0.07	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-85.3	109.1	166.7	-169.7	-26.3	0	0	0	109.6	A67 G70 T97 T111 H112 T143	A67-D95 HydrophobicContact CB-CB 3.77Å; A67-D95 WeakPolarHBondContact O-CA 3.32Å; G70-D95 VanDerWaalsContact CA-OD2 3.26Å; G70-D95 WeakPolarHBondContact CA-OD2 3.23Å; G70-D95 PolarHBondContact N-OD2 3.4Å; G70-D95 VanDerWaalsContact N-OD2 3.13Å; D95-T97 VanDerWaalsContact OD1-CB 3.32Å; D95-T97 WeakPolarHBondContact OD1-CB 3.44Å; D95-T97 PolarHBondContact OD1-N 3.33Å; D95-T97 PolarHBondContact OD1-OG1 3.13Å; D95-T111 CarbonylContact O-C 3.59Å; D95-T111 WeakPolarHBondContact O-CA 3.43Å; D95-H112 HydrophobicContact CB-CB 3.86Å; D95-H112 PolarHBondContact O-N 2.92Å; D95-H112 VanDerWaalsContact O-N 3.11Å; D95-T143 HydrophobicContact CB-CG2 4.28Å
96	S	98.1	Very high	97.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.216	C	C	.	.			trans	-107.6	30.3	-178.2	-65.2	0	0	0	0	111.7	A67 L91 K94 R98 G99 V100	A67-S96 PolarHBondContact O-N 2.89Å; L91-S96 WeakPolarHBondContact CA-OG 3.49Å; L91-S96 PolarHBondContact O-OG 2.98Å; K94-S96 WeakPolarHBondContact CG-OG 3.36Å; S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.33Å; S96-G99 PolarHBondContact O-N 2.51Å; S96-G99 VanDerWaalsContact O-N 3.12Å; S96-V100 WeakPolarHBondContact O-CG2 3.45Å; S96-V100 PolarHBondContact O-N 2.91Å
97	T	97.7	Very high	97.5	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-47.9	-48.3	180	-64.3	0	0	0	0	112.6	K69 D95 V100 A101 T111 T114 L125	K69-T97 WeakPolarHBondContact CA-OG1 3.45Å; K69-T97 HydrophobicContact CG-CG2 4.23Å; K69-T97 PolarHBondContact N-OG1 2.92Å; D95-T97 VanDerWaalsContact OD1-CB 3.32Å; D95-T97 WeakPolarHBondContact OD1-CB 3.44Å; D95-T97 PolarHBondContact OD1-N 3.33Å; D95-T97 PolarHBondContact OD1-OG1 3.13Å; T97-V100 PolarHBondContact O-N 2.88Å; T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.11Å; T97-T111 PolarHBondContact N-O 2.86Å; T97-T114 HydrophobicContact CG2-CG2 3.66Å; T97-L125 HydrophobicContact CG2-CD1 4.04Å; T97-L125 HydrophobicContact CG2-CD2 3.53Å; T97-L125 HydrophobicContact CG2-CG 4.43Å
98	R	97.7	Very high	97.5	Very high	45 Å²	45	46.1 Å²	46.1	17%	0.17	25%	0.253	C	S	.	.	H	α-helix	trans	-67	-44.3	-179.2	-176.1	-174.3	177.8	82	-1.1	111.9	S96 V100 A101 K102 D109 T111 D113 T115 L117	S96-R98 VanDerWaalsContact C-N 3.27Å; S96-R98 PolarHBondContact O-N 3.33Å; R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 2.83Å; R98-A101 WeakPolarHBondContact O-CB 3.46Å; R98-A101 PolarHBondContact O-N 2.85Å; R98-A101 VanDerWaalsContact O-N 3.17Å; R98-K102 HydrophobicContact CG-CD 4.07Å; R98-K102 HydrophobicContact CG-CG 4.48Å; R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 WeakPolarHBondContact O-CG 3.35Å; R98-K102 PolarHBondContact O-N 2.85Å; R98-D109 CarbonylContact C-O 3.57Å; R98-D109 WeakPolarHBondContact CB-O 3.24Å; R98-D109 HydrophobicContact CG-CB 4.43Å; R98-D109 IonicContact CZ-OD1 3.88Å; R98-D109 IonicContact NE-OD1 3.75Å; R98-D109 PolarHBondContact NE-OD1 2.93Å; R98-D109 IonicContact NH2-OD1 3.78Å; R98-T111 HydrophobicContact CB-CG2 4.05Å; R98-T111 VanDerWaalsContact CB-O 3.24Å; R98-T111 WeakPolarHBondContact CB-O 3.09Å; R98-T111 HydrophobicContact CG-CG2 4.49Å; R98-T111 PolarHBondContact N-O 2.65Å; R98-D113 WeakPolarHBondContact CB-O 3.48Å; R98-D113 WeakPolarHBondContact CD-O 3.5Å; R98-D113 WeakPolarHBondContact CG-O 3.14Å; R98-T115 PolarHBondContact NH1-O 2.94Å; R98-L117 HydrophobicContact CG-CD2 4.15Å
99	G	97.9	Very high	97.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-43.3	176.3	0	0	0	0	0	111.5	S96 K102 M103 S104 D109	S96-G99 PolarHBondContact O-N 2.51Å; S96-G99 VanDerWaalsContact O-N 3.12Å; G99-K102 PolarHBondContact O-N 3.02Å; G99-M103 CarbonylContact O-C 3.51Å; G99-M103 WeakPolarHBondContact O-CA 2.98Å; G99-M103 PolarHBondContact O-N 2.94Å; G99-S104 WeakPolarHBondContact CA-O 3.38Å; G99-S104 PolarHBondContact O-N 2.84Å; G99-D109 WeakPolarHBondContact CA-O 3.42Å; G99-D109 PolarHBondContact N-O 2.82Å
100	V	97.7	Very high	97.4	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-64.4	-46.2	175	174.2	0	0	0	0	111.6	V68 S96 T97 R98 K102 M103 L125 V128 Y133	V68-V100 HydrophobicContact CG1-CB 4.28Å; V68-V100 HydrophobicContact CG1-CG1 4.21Å; V68-V100 HydrophobicContact CG1-CG2 4.29Å; V68-V100 HydrophobicContact CG2-CG2 3.98Å; S96-V100 WeakPolarHBondContact O-CG2 3.45Å; S96-V100 PolarHBondContact O-N 2.91Å; T97-V100 PolarHBondContact O-N 2.88Å; R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 2.83Å; V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 2.74Å; V100-M103 PolarHBondContact O-N 3.4Å; V100-L125 HydrophobicContact CB-CD1 4.17Å; V100-L125 HydrophobicContact CG1-CD1 3.89Å; V100-V128 HydrophobicContact CG1-CB 4.11Å; V100-V128 HydrophobicContact CG1-CG1 3.66Å; V100-Y133 HydrophobicContact CG1-CE2 4.04Å; V100-Y133 HydrophobicContact CG2-CE2 4.12Å
101	A	96.7	Very high	97.3	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-59	-39.7	179.3	0	0	0	0	0	112.6	T97 R98 L117 E121 L125	T97-A101 WeakPolarHBondContact O-CB 3.49Å; T97-A101 PolarHBondContact O-N 3.11Å; R98-A101 WeakPolarHBondContact O-CB 3.46Å; R98-A101 PolarHBondContact O-N 2.85Å; R98-A101 VanDerWaalsContact O-N 3.17Å; A101-L117 HydrophobicContact CB-CD1 3.62Å; A101-L117 HydrophobicContact CB-CD2 4.35Å; A101-E121 HydrophobicContact CB-CB 4.43Å; A101-L125 HydrophobicContact CB-CB 3.77Å; A101-L125 HydrophobicContact CB-CD1 4.36Å; A101-L125 HydrophobicContact CB-CD2 4.23Å; A101-L125 HydrophobicContact CB-CG 4.34Å
102	K	97.3	Very high	97.1	Very high	71 Å²	71	43.6 Å²	43.6	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-88.8	-5.8	-178.8	-65.5	-172.8	66.6	-165.5	0	114	R98 G99 V100 S104 D109 L117	R98-K102 HydrophobicContact CG-CD 4.07Å; R98-K102 HydrophobicContact CG-CG 4.48Å; R98-K102 WeakPolarHBondContact O-CB 3.45Å; R98-K102 WeakPolarHBondContact O-CG 3.35Å; R98-K102 PolarHBondContact O-N 2.85Å; G99-K102 PolarHBondContact O-N 3.02Å; V100-K102 VanDerWaalsContact C-N 3.27Å; V100-K102 PolarHBondContact O-N 2.74Å; K102-S104 PolarHBondContact O-N 3.07Å; K102-D109 WeakPolarHBondContact CD-OD1 3.43Å; K102-D109 WeakPolarHBondContact CE-OD2 3.29Å; K102-D109 IonicContact NZ-OD1 2.61Å; K102-D109 PolarHBondContact NZ-OD1 3.22Å; K102-D109 IonicContact NZ-OD2 2.85Å; K102-D109 PolarHBondContact NZ-OD2 3Å; K102-L117 HydrophobicContact CD-CD2 3.9Å; K102-L117 HydrophobicContact CG-CD2 3.64Å
103	M	95.9	Very high	96.9	Very high	153 Å²	153	46.5 Å²	46.5	75%	0.754	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	43.1	-167.6	-55.3	-179	178.1	0	0	112	G99 V100	G99-M103 CarbonylContact O-C 3.51Å; G99-M103 WeakPolarHBondContact O-CA 2.98Å; G99-M103 PolarHBondContact O-N 2.94Å; V100-M103 PolarHBondContact O-N 3.4Å
104	S	97.3	Very high	96.6	Very high	16 Å²	16	49.3 Å²	49.3	11%	0.112	27%	0.272	C	S	.	.			trans	-117.4	141.5	-171.2	-179.1	0	0	0	0	111.3	G99 K102 D106 D109	G99-S104 WeakPolarHBondContact CA-O 3.38Å; G99-S104 PolarHBondContact O-N 2.84Å; K102-S104 PolarHBondContact O-N 3.07Å; S104-D106 WeakPolarHBondContact OG-CB 3.31Å; S104-D106 PolarHBondContact OG-N 3.49Å; S104-D106 VanDerWaalsContact OG-N 3.14Å; S104-D109 WeakPolarHBondContact CB-OD2 3.44Å; S104-D109 PolarHBondContact OG-OD2 3.18Å
105	L	97.3	Very high	96.3	Very high	77 Å²	77	50.4 Å²	50.4	40%	0.403	29%	0.286	S	S	.	.			trans	-109.8	7.6	169.4	-61.3	176.3	0	0	0	111.7	P87 Y88 L91	P87-L105 VanDerWaalsContact O-CD1 3.29Å; P87-L105 WeakPolarHBondContact O-CD1 3.42Å; Y88-L105 HydrophobicContact CD1-CD1 4.15Å; Y88-L105 HydrophobicContact CD1-CD2 4.41Å; L91-L105 HydrophobicContact CD1-CD2 4.01Å; L91-L105 HydrophobicContact CD2-CD2 3.84Å; L91-L105 HydrophobicContact CG-CD2 3.64Å
106	D	97.7	Very high	96.1	Very high	104 Å²	104	53.1 Å²	53.1	56%	0.556	32%	0.317	S	S	*	.			trans	-63.4	130.8	176.6	-76.7	-43.3	0	0	0	109.6	S104 A108 D109 L110	S104-D106 WeakPolarHBondContact OG-CB 3.31Å; S104-D106 PolarHBondContact OG-N 3.49Å; S104-D106 VanDerWaalsContact OG-N 3.14Å; D106-A108 PolarHBondContact O-N 3.23Å; D106-D109 PolarHBondContact O-N 2.86Å; D106-L110 WeakPolarHBondContact O-CG 3.32Å; D106-L110 PolarHBondContact O-N 2.98Å
107	P	96.6	Very high	95.8	Very high	110 Å²	110	54 Å²	54	71%	0.714	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31.6	-176.7	-29.7	35.4	0	0	0	114.7	D109 L110	P107-D109 VanDerWaalsContact C-N 3.27Å; P107-D109 PolarHBondContact O-N 3.14Å; P107-L110 PolarHBondContact O-N 2.88Å
108	A	96.2	Very high	95.8	Very high	88 Å²	88	57.5 Å²	57.5	73%	0.727	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-68.9	-22.6	177.4	0	0	0	0	0	113.7	D106	D106-A108 PolarHBondContact O-N 3.23Å
109	D	96.7	Very high	95.7	Very high	11 Å²	11	59.3 Å²	59.3	6%	0.059	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-94.8	-7.4	176.8	-70.3	-37.9	0	0	0	112.6	R98 G99 K102 S104 D106 P107 T111	R98-D109 CarbonylContact C-O 3.57Å; R98-D109 WeakPolarHBondContact CB-O 3.24Å; R98-D109 HydrophobicContact CG-CB 4.43Å; R98-D109 IonicContact CZ-OD1 3.88Å; R98-D109 IonicContact NE-OD1 3.75Å; R98-D109 PolarHBondContact NE-OD1 2.93Å; R98-D109 IonicContact NH2-OD1 3.78Å; G99-D109 WeakPolarHBondContact CA-O 3.42Å; G99-D109 PolarHBondContact N-O 2.82Å; K102-D109 WeakPolarHBondContact CD-OD1 3.43Å; K102-D109 WeakPolarHBondContact CE-OD2 3.29Å; K102-D109 IonicContact NZ-OD1 2.61Å; K102-D109 PolarHBondContact NZ-OD1 3.22Å; K102-D109 IonicContact NZ-OD2 2.85Å; K102-D109 PolarHBondContact NZ-OD2 3Å; S104-D109 WeakPolarHBondContact CB-OD2 3.44Å; S104-D109 PolarHBondContact OG-OD2 3.18Å; D106-D109 PolarHBondContact O-N 2.86Å; P107-D109 VanDerWaalsContact C-N 3.27Å; P107-D109 PolarHBondContact O-N 3.14Å; D109-T111 PolarHBondContact O-N 3.46Å
110	L	97.4	Very high	95.6	Very high	27 Å²	27	67.4 Å²	67.4	14%	0.141	40%	0.402	C	S	.	.			trans	-79.8	61.1	-179.8	-59.9	-177.2	0	0	0	111.9	A90 L91 K94 D106 P107	A90-L110 HydrophobicContact CB-CD1 3.97Å; A90-L110 WeakPolarHBondContact O-CD1 3.48Å; L91-L110 HydrophobicContact CD2-CD2 3.65Å; K94-L110 HydrophobicContact CD-CB 4.11Å; D106-L110 WeakPolarHBondContact O-CG 3.32Å; D106-L110 PolarHBondContact O-N 2.98Å; P107-L110 PolarHBondContact O-N 2.88Å
111	T	95.8	Very high	95.5	Very high	40 Å²	40	69.1 Å²	69.1	25%	0.245	41%	0.409	C	S	.	.	S	Bend	trans	-142.3	164	-176.7	179.6	0	0	0	0	110.9	D95 T97 R98 D109 D113	D95-T111 CarbonylContact O-C 3.59Å; D95-T111 WeakPolarHBondContact O-CA 3.43Å; T97-T111 PolarHBondContact N-O 2.86Å; R98-T111 HydrophobicContact CB-CG2 4.05Å; R98-T111 VanDerWaalsContact CB-O 3.24Å; R98-T111 WeakPolarHBondContact CB-O 3.09Å; R98-T111 HydrophobicContact CG-CG2 4.49Å; R98-T111 PolarHBondContact N-O 2.65Å; D109-T111 PolarHBondContact O-N 3.46Å; T111-D113 VanDerWaalsContact C-N 3.27Å; T111-D113 HydrophobicContact CG2-CB 4.11Å; T111-D113 PolarHBondContact OG1-N 3.27Å
112	H	94	Very high	95.4	Very high	53 Å²	53	72.1 Å²	72.1	25%	0.245	43%	0.425	C	S	.	.	S	Bend	trans	-73.1	-18.7	172.5	60.3	-106.6	0	0	0	113.3	E49 D95 T114 R145	E49-H112 IonicContact OE1-ND1 2.79Å; D95-H112 HydrophobicContact CB-CB 3.86Å; D95-H112 PolarHBondContact O-N 2.92Å; D95-H112 VanDerWaalsContact O-N 3.11Å; H112-T114 PolarHBondContact O-N 3.25Å; H112-R145 PolarHBondContact CD2-NH1 2.87Å; H112-R145 PolarHBondContact CD2-NH2 3.34Å; H112-R145 PolarHBondContact CE1-NE 2.9Å; H112-R145 VanDerWaalsContact CE1-NE 3.32Å; H112-R145 PolarHBondContact CE1-NH2 3.19Å; H112-R145 VanDerWaalsContact ND1-CZ 3.31Å; H112-R145 PolarHBondContact ND1-NE 3.47Å; H112-R145 VanDerWaalsContact ND1-NE 3.2Å; H112-R145 PolarHBondContact NE2-NH2 3.45Å
113	D	93.1	Very high	95.2	Very high	66 Å²	66	74.7 Å²	74.7	35%	0.353	44%	0.438	S	S	.	.			trans	-71.7	114.6	-165.9	-178.5	22	0	0	0	112.3	R98 T111 T115	R98-D113 WeakPolarHBondContact CB-O 3.48Å; R98-D113 WeakPolarHBondContact CD-O 3.5Å; R98-D113 WeakPolarHBondContact CG-O 3.14Å; T111-D113 VanDerWaalsContact C-N 3.27Å; T111-D113 HydrophobicContact CG2-CB 4.11Å; T111-D113 PolarHBondContact OG1-N 3.27Å; D113-T115 VanDerWaalsContact C-N 3.33Å; D113-T115 WeakPolarHBondContact OD1-CB 3.43Å; D113-T115 PolarHBondContact OD1-N 3.27Å; D113-T115 PolarHBondContact OD1-OG1 2.88Å
114	T	92.3	Very high	95.1	Very high	65 Å²	65	68.5 Å²	68.5	40%	0.399	41%	0.411	S	S	.	.			trans	-90.5	1.7	178.5	56.2	0	0	0	0	113	T97 H112 G116 L117	T97-T114 HydrophobicContact CG2-CG2 3.66Å; H112-T114 PolarHBondContact O-N 3.25Å; T114-G116 PolarHBondContact O-N 3.23Å; T114-L117 HydrophobicContact CG2-CD1 3.98Å; T114-L117 WeakPolarHBondContact O-CB 3.35Å; T114-L117 WeakPolarHBondContact O-CG 3.35Å; T114-L117 PolarHBondContact O-N 2.76Å; T114-L117 VanDerWaalsContact O-N 3.16Å
115	T	92.3	Very high	95.1	Very high	101 Å²	101	68 Å²	68	62%	0.62	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	132.9	179	-54.8	0	0	0	0	110.9	R98 D113 L117	R98-T115 PolarHBondContact NH1-O 2.94Å; D113-T115 VanDerWaalsContact C-N 3.33Å; D113-T115 WeakPolarHBondContact OD1-CB 3.43Å; D113-T115 PolarHBondContact OD1-N 3.27Å; D113-T115 PolarHBondContact OD1-OG1 2.88Å; T115-L117 PolarHBondContact O-N 3.19Å
116	G	92.4	Very high	94.9	Very high	70 Å²	70	67.8 Å²	67.8	72%	0.722	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	6.9	179	0	0	0	0	0	115.3	T114	T114-G116 PolarHBondContact O-N 3.23Å
117	L	92.9	Very high	94.8	Very high	20 Å²	20	67.1 Å²	67.1	11%	0.105	40%	0.4	C	S	.	.			trans	-68.5	140.3	167.6	-67.7	-179.7	0	0	0	110.7	R98 A101 K102 T114 T115 E121 L122	R98-L117 HydrophobicContact CG-CD2 4.15Å; A101-L117 HydrophobicContact CB-CD1 3.62Å; A101-L117 HydrophobicContact CB-CD2 4.35Å; K102-L117 HydrophobicContact CD-CD2 3.9Å; K102-L117 HydrophobicContact CG-CD2 3.64Å; T114-L117 HydrophobicContact CG2-CD1 3.98Å; T114-L117 WeakPolarHBondContact O-CB 3.35Å; T114-L117 WeakPolarHBondContact O-CG 3.35Å; T114-L117 PolarHBondContact O-N 2.76Å; T114-L117 VanDerWaalsContact O-N 3.16Å; T115-L117 PolarHBondContact O-N 3.19Å; L117-E121 HydrophobicContact CB-CB 4.33Å; L117-E121 HydrophobicContact CD2-CB 4.19Å; L117-L122 HydrophobicContact CB-CD2 4.07Å; L117-L122 HydrophobicContact CB-CG 4.11Å; L117-L122 HydrophobicContact CD1-CD2 3.94Å
118	T	97.1	Very high	94.8	Very high	76 Å²	76	63.4 Å²	63.4	47%	0.466	38%	0.375	S	S	.	.			trans	-73.7	159.2	173.6	64.7	0	0	0	0	111	K120 E121 L122	T118-K120 PolarHBondContact O-N 2.98Å; T118-E121 WeakPolarHBondContact CB-OE2 3.47Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.49Å; T118-E121 PolarHBondContact N-OE2 2.85Å; T118-E121 PolarHBondContact O-N 2.97Å; T118-E121 VanDerWaalsContact O-N 3.09Å; T118-E121 VanDerWaalsContact OG1-CD 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.44Å; T118-E121 PolarHBondContact OG1-N 2.73Å; T118-E121 PolarHBondContact OG1-OE2 3.38Å; T118-L122 WeakPolarHBondContact O-CG 3.39Å; T118-L122 PolarHBondContact O-N 3.42Å
119	A	94.9	Very high	94.7	Very high	83 Å²	83	60 Å²	60	69%	0.686	34%	0.344	S	S	*	.	H	α-helix	trans	-55.5	-35.8	175.5	0	0	0	0	0	112.6	L122 E123	A119-L122 PolarHBondContact O-N 2.92Å; A119-E123 WeakPolarHBondContact O-CB 3.35Å; A119-E123 PolarHBondContact O-N 2.82Å
120	K	95.7	Very high	94.5	Very high	171 Å²	171	63 Å²	63	74%	0.743	36%	0.363	S	S	*	.	H	α-helix	trans	-68.5	-39.5	178	-172.6	-179.5	177.7	-174.3	0	112.5	T118 L122 E123 A124	T118-K120 PolarHBondContact O-N 2.98Å; K120-L122 VanDerWaalsContact C-N 3.34Å; K120-E123 PolarHBondContact O-N 2.93Å; K120-A124 WeakPolarHBondContact O-CB 3.33Å; K120-A124 PolarHBondContact O-N 3.12Å
121	E	96	Very high	94.4	Very high	46 Å²	46	68.1 Å²	68.1	22%	0.215	38%	0.384	C	S	.	.	H	α-helix	trans	-67.8	-36.8	176	-71.9	161.3	141.5	0	0	111.2	A101 L117 T118 A124 L125	A101-E121 HydrophobicContact CB-CB 4.43Å; L117-E121 HydrophobicContact CB-CB 4.33Å; L117-E121 HydrophobicContact CD2-CB 4.19Å; T118-E121 WeakPolarHBondContact CB-OE2 3.47Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.49Å; T118-E121 PolarHBondContact N-OE2 2.85Å; T118-E121 PolarHBondContact O-N 2.97Å; T118-E121 VanDerWaalsContact O-N 3.09Å; T118-E121 VanDerWaalsContact OG1-CD 3.31Å; T118-E121 WeakPolarHBondContact OG1-CG 3.44Å; T118-E121 PolarHBondContact OG1-N 2.73Å; T118-E121 PolarHBondContact OG1-OE2 3.38Å; E121-A124 PolarHBondContact O-N 2.79Å; E121-L125 WeakPolarHBondContact O-CB 3.43Å; E121-L125 PolarHBondContact O-N 2.94Å
122	L	94.6	Very high	94.3	Very high	67 Å²	67	68.4 Å²	68.4	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-66.6	-41.7	174	-66.6	172.1	0	0	0	112	L117 T118 A119 K120 L125 D126	L117-L122 HydrophobicContact CB-CD2 4.07Å; L117-L122 HydrophobicContact CB-CG 4.11Å; L117-L122 HydrophobicContact CD1-CD2 3.94Å; T118-L122 WeakPolarHBondContact O-CG 3.39Å; T118-L122 PolarHBondContact O-N 3.42Å; A119-L122 PolarHBondContact O-N 2.92Å; K120-L122 VanDerWaalsContact C-N 3.34Å; L122-L125 WeakPolarHBondContact O-CB 3.39Å; L122-L125 PolarHBondContact O-N 3.45Å; L122-D126 PolarHBondContact O-N 2.95Å
123	E	93.9	Very high	94.3	Very high	125 Å²	125	66.6 Å²	66.6	58%	0.584	38%	0.377	S	S	*	.	H	α-helix	trans	-61.7	-46.7	173.9	-173	-176.2	143.4	0	0	111.1	A119 K120 L125 D126 E127	A119-E123 WeakPolarHBondContact O-CB 3.35Å; A119-E123 PolarHBondContact O-N 2.82Å; K120-E123 PolarHBondContact O-N 2.93Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.17Å; E123-D126 PolarHBondContact O-N 2.82Å; E123-D126 VanDerWaalsContact O-N 3.15Å; E123-E127 WeakPolarHBondContact O-CG 3.47Å; E123-E127 PolarHBondContact O-N 3.36Å
124	A	93.8	Very high	94.3	Very high	23 Å²	23	67.6 Å²	67.6	19%	0.19	38%	0.378	C	S	.	.	H	α-helix	trans	-59.3	-41.5	176	0	0	0	0	0	111.9	K120 E121 E127 V128	K120-A124 WeakPolarHBondContact O-CB 3.33Å; K120-A124 PolarHBondContact O-N 3.12Å; E121-A124 PolarHBondContact O-N 2.79Å; A124-E127 PolarHBondContact O-N 3.49Å; A124-V128 WeakPolarHBondContact O-CB 3.37Å; A124-V128 VanDerWaalsContact O-CG2 3.28Å; A124-V128 WeakPolarHBondContact O-CG2 3.47Å; A124-V128 PolarHBondContact O-N 2.93Å
125	L	96.1	Very high	94.4	Very high	5 Å²	5	68.1 Å²	68.1	3%	0.026	39%	0.389	C	S	.	.	H	α-helix	trans	-57.8	-48.2	173.8	174.2	62.6	0	0	0	111.5	V68 K69 T97 V100 A101 E121 L122 E123 V128 F129	V68-L125 HydrophobicContact CG1-CD1 3.73Å; K69-L125 HydrophobicContact CD-CD2 4.33Å; K69-L125 HydrophobicContact CD-CG 4.21Å; K69-L125 HydrophobicContact CG-CD1 4.23Å; K69-L125 HydrophobicContact CG-CD2 4.04Å; K69-L125 HydrophobicContact CG-CG 4.17Å; T97-L125 HydrophobicContact CG2-CD1 4.04Å; T97-L125 HydrophobicContact CG2-CD2 3.53Å; T97-L125 HydrophobicContact CG2-CG 4.43Å; V100-L125 HydrophobicContact CB-CD1 4.17Å; V100-L125 HydrophobicContact CG1-CD1 3.89Å; A101-L125 HydrophobicContact CB-CB 3.77Å; A101-L125 HydrophobicContact CB-CD1 4.36Å; A101-L125 HydrophobicContact CB-CD2 4.23Å; A101-L125 HydrophobicContact CB-CG 4.34Å; E121-L125 WeakPolarHBondContact O-CB 3.43Å; E121-L125 PolarHBondContact O-N 2.94Å; L122-L125 WeakPolarHBondContact O-CB 3.39Å; L122-L125 PolarHBondContact O-N 3.45Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.17Å; L125-V128 PolarHBondContact O-N 3.24Å; L125-F129 WeakPolarHBondContact O-CB 3.43Å; L125-F129 PolarHBondContact O-N 3.28Å
126	D	94.2	Very high	94.5	Very high	72 Å²	72	70 Å²	70	39%	0.385	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-41.1	-179.9	-82.1	-41.6	0	0	0	112.7	K69 L122 E123 T130	K69-D126 IonicContact NZ-OD1 3.77Å; K69-D126 PolarHBondContact NZ-OD1 2.91Å; L122-D126 PolarHBondContact O-N 2.95Å; E123-D126 PolarHBondContact O-N 2.82Å; E123-D126 VanDerWaalsContact O-N 3.15Å; D126-T130 WeakPolarHBondContact O-CB 3.22Å; D126-T130 PolarHBondContact O-N 3.43Å; D126-T130 PolarHBondContact O-OG1 3.17Å
127	E	95.1	Very high	94.6	Very high	90 Å²	90	67.8 Å²	67.8	42%	0.421	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-50.5	175.6	-69	-150.2	122.4	0	0	111.8	E123 A124 T130 K131	E123-E127 WeakPolarHBondContact O-CG 3.47Å; E123-E127 PolarHBondContact O-N 3.36Å; A124-E127 PolarHBondContact O-N 3.49Å; E127-T130 PolarHBondContact O-N 3.42Å; E127-K131 VanDerWaalsContact O-CB 3.24Å; E127-K131 WeakPolarHBondContact O-CB 3.41Å; E127-K131 WeakPolarHBondContact O-CG 3.45Å; E127-K131 PolarHBondContact O-N 3.38Å; E127-K131 IonicContact OE1-NZ 2.69Å; E127-K131 PolarHBondContact OE1-NZ 2.99Å
128	V	95.8	Very high	94.7	Very high	33 Å²	33	70.5 Å²	70.5	20%	0.2	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-44.7	-179.8	173.6	0	0	0	0	110.5	V100 A124 L125 T130 V132 Y133	V100-V128 HydrophobicContact CG1-CB 4.11Å; V100-V128 HydrophobicContact CG1-CG1 3.66Å; A124-V128 WeakPolarHBondContact O-CB 3.37Å; A124-V128 VanDerWaalsContact O-CG2 3.28Å; A124-V128 WeakPolarHBondContact O-CG2 3.47Å; A124-V128 PolarHBondContact O-N 2.93Å; L125-V128 PolarHBondContact O-N 3.24Å; V128-T130 VanDerWaalsContact C-N 3.3Å; V128-T130 PolarHBondContact O-N 2.98Å; V128-V132 HydrophobicContact CG1-CB 4.24Å; V128-V132 HydrophobicContact CG1-CG2 4.2Å; V128-V132 WeakPolarHBondContact O-CA 3.45Å; V128-V132 WeakPolarHBondContact O-CB 3.47Å; V128-V132 PolarHBondContact O-N 3.09Å; V128-Y133 HydrophobicContact CG1-CD2 3.89Å; V128-Y133 HydrophobicContact CG1-CE2 3.58Å; V128-Y133 PolarHBondContact O-N 2.96Å
129	F	95.8	Very high	94.6	Very high	16 Å²	16	68.6 Å²	68.6	7%	0.07	36%	0.364	C	S	.	.	I	π-helix	trans	-55	-46.6	176.7	179.2	-97.5	0	0	0	111.8	V68 K69 V71 F73 L125 Y133 K134	V68-F129 HydrophobicContact CB-CD2 4.12Å; V68-F129 HydrophobicContact CG1-CD2 3.93Å; V68-F129 WeakPolarHBondContact O-CE2 3.4Å; K69-F129 HydrophobicContact CB-CD2 4.24Å; K69-F129 HydrophobicContact CB-CE2 4.04Å; K69-F129 HydrophobicContact CD-CB 4.2Å; K69-F129 HydrophobicContact CD-CD1 4.14Å; K69-F129 HydrophobicContact CD-CD2 3.93Å; K69-F129 HydrophobicContact CD-CE1 4.5Å; K69-F129 HydrophobicContact CD-CE2 4.32Å; K69-F129 HydrophobicContact CD-CG 3.83Å; K69-F129 HydrophobicContact CG-CD2 4.1Å; K69-F129 HydrophobicContact CG-CE2 4.4Å; K69-F129 HydrophobicContact CG-CG 4.47Å; V71-F129 HydrophobicContact CB-CE2 4Å; V71-F129 HydrophobicContact CB-CZ 4.2Å; V71-F129 HydrophobicContact CG2-CE2 3.89Å; V71-F129 HydrophobicContact CG2-CZ 3.71Å; F73-F129 HydrophobicContact CE2-CD2 4.1Å; F73-F129 AromaticContact CE2-CE2 3.68Å; F73-F129 HydrophobicContact CE2-CE2 3.68Å; F73-F129 HydrophobicContact CZ-CD2 4.1Å; F73-F129 AromaticContact CZ-CE2 3.56Å; F73-F129 HydrophobicContact CZ-CE2 3.56Å; F73-F129 HydrophobicContact CZ-CZ 4.07Å; L125-F129 WeakPolarHBondContact O-CB 3.43Å; L125-F129 PolarHBondContact O-N 3.28Å; F129-Y133 PolarHBondContact O-N 3.07Å; F129-K134 HydrophobicContact CD1-CD 3.98Å; F129-K134 HydrophobicContact CD1-CG 4.29Å; F129-K134 HydrophobicContact CE1-CD 3.45Å; F129-K134 VanDerWaalsContact CE1-CD 3.45Å; F129-K134 HydrophobicContact CE1-CG 3.9Å; F129-K134 HydrophobicContact CZ-CD 4.07Å; F129-K134 HydrophobicContact CZ-CG 4.15Å; F129-K134 PolarHBondContact O-N 3.19Å
130	T	92	Very high	94.6	Very high	74 Å²	74	66.7 Å²	66.7	45%	0.454	34%	0.344	S	S	.	.	I	π-helix	trans	-80.2	-49.2	-175.3	-55	0	0	0	0	112.7	D126 E127 V128	D126-T130 WeakPolarHBondContact O-CB 3.22Å; D126-T130 PolarHBondContact O-N 3.43Å; D126-T130 PolarHBondContact O-OG1 3.17Å; E127-T130 PolarHBondContact O-N 3.42Å; V128-T130 VanDerWaalsContact C-N 3.3Å; V128-T130 PolarHBondContact O-N 2.98Å
131	K	94.4	Very high	94.4	Very high	134 Å²	134	58.6 Å²	58.6	58%	0.583	31%	0.309	S	S	*	.	I	π-helix	trans	-83.8	-22.2	-171.1	-62.4	175.2	179	168.6	0	113	E127 A135	E127-K131 VanDerWaalsContact O-CB 3.24Å; E127-K131 WeakPolarHBondContact O-CB 3.41Å; E127-K131 WeakPolarHBondContact O-CG 3.45Å; E127-K131 PolarHBondContact O-N 3.38Å; E127-K131 IonicContact OE1-NZ 2.69Å; E127-K131 PolarHBondContact OE1-NZ 2.99Å; K131-A135 WeakPolarHBondContact O-CB 3.42Å
132	V	93.6	Very high	94.3	Very high	47 Å²	47	56.4 Å²	56.4	29%	0.285	30%	0.299	S	S	.	.	I	π-helix	trans	-108.3	-66.4	179.9	-172.1	0	0	0	0	110	V128 K136	V128-V132 HydrophobicContact CG1-CB 4.24Å; V128-V132 HydrophobicContact CG1-CG2 4.2Å; V128-V132 WeakPolarHBondContact O-CA 3.45Å; V128-V132 WeakPolarHBondContact O-CB 3.47Å; V128-V132 PolarHBondContact O-N 3.09Å; V132-K136 HydrophobicContact CG1-CD 4.19Å; V132-K136 VanDerWaalsContact O-CB 3.22Å; V132-K136 WeakPolarHBondContact O-CB 3.43Å; V132-K136 VanDerWaalsContact O-CG 3.3Å; V132-K136 WeakPolarHBondContact O-CG 3.29Å; V132-K136 PolarHBondContact O-N 3.11Å
133	Y	95.2	Very high	94.2	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.055	28%	0.284	C	S	.	.	I	π-helix	trans	-71.2	-55.3	-167.3	-69	-68.1	0	0	0	112.8	L66 V68 F73 V100 V128 F129 A135 K136 Y137	L66-Y133 HydrophobicContact CD2-CD1 4.25Å; L66-Y133 HydrophobicContact CD2-CE1 3.42Å; L66-Y133 VanDerWaalsContact CD2-CE1 3.42Å; V68-Y133 HydrophobicContact CG2-CD2 4.1Å; V68-Y133 HydrophobicContact CG2-CE2 3.99Å; F73-Y133 HydrophobicContact CD2-CG 4.47Å; F73-Y133 HydrophobicContact CE2-CG 4.48Å; V100-Y133 HydrophobicContact CG1-CE2 4.04Å; V100-Y133 HydrophobicContact CG2-CE2 4.12Å; V128-Y133 HydrophobicContact CG1-CD2 3.89Å; V128-Y133 HydrophobicContact CG1-CE2 3.58Å; V128-Y133 PolarHBondContact O-N 2.96Å; F129-Y133 PolarHBondContact O-N 3.07Å; Y133-A135 PolarHBondContact O-N 3.16Å; Y133-K136 PolarHBondContact O-N 2.61Å; Y133-Y137 AromaticContact CD1-CD2 3.81Å; Y133-Y137 HydrophobicContact CD1-CD2 3.81Å; Y133-Y137 HydrophobicContact CD1-CE2 4.08Å; Y133-Y137 HydrophobicContact CE1-CE2 4.38Å; Y133-Y137 PolarHBondContact O-N 3.07Å
134	K	93.4	Very high	93.9	Very high	88 Å²	88	48.5 Å²	48.5	38%	0.383	26%	0.264	S	S	.	.	H	α-helix	trans	-60	-31.8	176.7	-78.6	-172	62.2	-177.8	0	113.6	F73 F129 P164	F73-K134 HydrophobicContact CE1-CG 4.11Å; F73-K134 HydrophobicContact CZ-CG 4.1Å; F129-K134 HydrophobicContact CD1-CD 3.98Å; F129-K134 HydrophobicContact CD1-CG 4.29Å; F129-K134 HydrophobicContact CE1-CD 3.45Å; F129-K134 VanDerWaalsContact CE1-CD 3.45Å; F129-K134 HydrophobicContact CE1-CG 3.9Å; F129-K134 HydrophobicContact CZ-CD 4.07Å; F129-K134 HydrophobicContact CZ-CG 4.15Å; F129-K134 PolarHBondContact O-N 3.19Å; K134-P164 HydrophobicContact CD-CB 4.09Å; K134-P164 VanDerWaalsContact CE-CB 3.46Å
135	A	93	Very high	93.3	Very high	76 Å²	76	52 Å²	52	63%	0.628	27%	0.272	S	S	*	.	H	α-helix	trans	-79	-30.7	-177.8	0	0	0	0	0	113	K131 Y133	K131-A135 WeakPolarHBondContact O-CB 3.42Å; Y133-A135 PolarHBondContact O-N 3.16Å
136	K	94.3	Very high	92.3	Very high	140 Å²	140	54.3 Å²	54.3	61%	0.609	28%	0.281	S	S	*	.	H	α-helix	trans	-107	-29.4	-170.7	-67.1	-177.3	171.5	-172.1	0	114.7	V132 Y133	V132-K136 HydrophobicContact CG1-CD 4.19Å; V132-K136 VanDerWaalsContact O-CB 3.22Å; V132-K136 WeakPolarHBondContact O-CB 3.43Å; V132-K136 VanDerWaalsContact O-CG 3.3Å; V132-K136 WeakPolarHBondContact O-CG 3.29Å; V132-K136 PolarHBondContact O-N 3.11Å; Y133-K136 PolarHBondContact O-N 2.61Å
137	Y	95.6	Very high	91.2	Very high	23 Å²	23	52.8 Å²	52.8	9%	0.09	27%	0.272	C	S	.	.	S	Bend	trans	-122.7	138.6	-168.7	-58.6	-69.3	0	0	0	111.2	D74 V75 S77 Y82 Y133	D74-Y137 WeakPolarHBondContact O-CB 3.38Å; D74-Y137 WeakPolarHBondContact O-CD1 3.33Å; V75-Y137 HydrophobicContact CB-CD1 4.21Å; V75-Y137 HydrophobicContact CB-CE1 4.21Å; V75-Y137 HydrophobicContact CG1-CD1 4.07Å; V75-Y137 HydrophobicContact CG1-CD2 4.05Å; V75-Y137 HydrophobicContact CG1-CE1 4.32Å; V75-Y137 HydrophobicContact CG1-CE2 4.31Å; V75-Y137 HydrophobicContact CG1-CG 3.93Å; S77-Y137 WeakPolarHBondContact OG-CE1 2.99Å; Y82-Y137 HydrophobicContact CE2-CE2 4.46Å; Y82-Y137 AromaticContact CE2-CZ 3.95Å; Y133-Y137 AromaticContact CD1-CD2 3.81Å; Y133-Y137 HydrophobicContact CD1-CD2 3.81Å; Y133-Y137 HydrophobicContact CD1-CE2 4.08Å; Y133-Y137 HydrophobicContact CE1-CE2 4.38Å; Y133-Y137 PolarHBondContact O-N 3.07Å
138	P	95.2	Very high	90.2	Very high	77 Å²	77	51.4 Å²	51.4	50%	0.5	27%	0.267	S	S	.	.			trans	-70.1	145.4	176	27.7	-29.9	0	0	0	110.6	F73 D74	F73-P138 WeakPolarHBondContact CA-O 3.09Å; D74-P138 HydrophobicContact CB-CG 4.09Å; D74-P138 PolarHBondContact N-O 3.17Å
139	I	94.2	Very high	89.1	Confident	37 Å²	37	53.1 Å²	53.1	19%	0.19	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	123.5	173.6	-62.5	168.7	0	0	0	107.8	V71 V72 F73 P164 F166	V71-I139 HydrophobicContact CG1-CB 4.3Å; V71-I139 HydrophobicContact CG1-CD1 3.92Å; V71-I139 HydrophobicContact CG1-CG1 3.81Å; V71-I139 HydrophobicContact CG1-CG2 3.57Å; V72-I139 WeakPolarHBondContact O-CA 3.27Å; F73-I139 HydrophobicContact CD1-CG1 3.93Å; F73-I139 HydrophobicContact CE1-CD1 4.25Å; F73-I139 HydrophobicContact CE1-CG1 3.6Å; F73-I139 HydrophobicContact CZ-CG1 4.41Å; I139-P164 HydrophobicContact CD1-CB 4.15Å; I139-P164 HydrophobicContact CD1-CG 3.55Å; I139-F166 HydrophobicContact CB-CE1 3.8Å; I139-F166 HydrophobicContact CB-CZ 4.5Å; I139-F166 HydrophobicContact CG2-CE1 3.64Å; I139-F166 HydrophobicContact CG2-CZ 3.86Å
140	V	94.3	Very high	87.9	Confident	42 Å²	42	62.5 Å²	62.5	26%	0.255	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	-2.3	-178.2	-65	0	0	0	0	113.4	F47 Y65 V72 D74	F47-V140 HydrophobicContact CE2-CG2 4.39Å; F47-V140 HydrophobicContact CZ-CG2 4.23Å; Y65-V140 HydrophobicContact CD1-CG2 4.28Å; Y65-V140 HydrophobicContact CE1-CG2 4.18Å; Y65-V140 HydrophobicContact CE2-CG2 4.48Å; V72-V140 HydrophobicContact CB-CG2 4.25Å; V72-V140 HydrophobicContact CG1-CG2 3.73Å; V72-V140 PolarHBondContact O-N 3.04Å; D74-V140 HydrophobicContact CB-CG1 3.72Å; D74-V140 HydrophobicContact CB-CG2 4.41Å
141	G	93.3	Very high	86.9	Confident	2 Å²	2	65 Å²	65	2%	0.021	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-158.5	173.8	0	0	0	0	0	112.7	R45 V72	R45-G141 CarbonylContact O-C 3.59Å; R45-G141 WeakPolarHBondContact O-CA 3.4Å; V72-G141 PolarHBondContact N-O 2.98Å
142	Y	92.7	Very high	85.6	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.7	179.1	-59	-91.5	0	0	0	110.6	V44 R45 L46 F47 G70 V71 F166	V44-Y142 HydrophobicContact CG1-CD2 3.22Å; V44-Y142 HydrophobicContact CG1-CE2 3.47Å; V44-Y142 VanDerWaalsContact CG1-CE2 3.47Å; V44-Y142 HydrophobicContact CG1-CG 4.48Å; R45-Y142 PolarHBondContact O-N 2.77Å; L46-Y142 CarbonylContact C-O 3.52Å; L46-Y142 WeakPolarHBondContact CA-O 3.36Å; F47-Y142 PolarHBondContact N-O 3.06Å; G70-Y142 CarbonylContact O-C 3.56Å; G70-Y142 VanDerWaalsContact O-CA 3.32Å; G70-Y142 WeakPolarHBondContact O-CA 3.5Å; G70-Y142 WeakPolarHBondContact O-CB 3.36Å; V71-Y142 HydrophobicContact CB-CD1 4.23Å; V71-Y142 HydrophobicContact CB-CE1 4.26Å; V71-Y142 HydrophobicContact CG1-CD1 4.31Å; V71-Y142 HydrophobicContact CG1-CE1 4.03Å; V71-Y142 HydrophobicContact CG2-CD1 3.87Å; V71-Y142 HydrophobicContact CG2-CE1 3.7Å; Y142-F166 HydrophobicContact CE2-CE2 4.11Å; Y142-F166 AromaticContact CE2-CZ 3.85Å; Y142-F166 HydrophobicContact CE2-CZ 3.85Å; Y142-F166 AromaticContact CZ-CZ 3.99Å; Y142-F166 WeakPolarHBondContact OH-CE2 3.37Å; Y142-F166 WeakPolarHBondContact OH-CZ 3.42Å
143	T	92.5	Very high	84.5	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	139.7	170.8	63.8	0	0	0	0	109.7	F47 L52 A67 G70 V72 D95 R145 R146	F47-T143 CarbonylContact O-C 2.97Å; F47-T143 WeakPolarHBondContact O-CA 3.35Å; L52-T143 HydrophobicContact CD2-CG2 4.36Å; A67-T143 HydrophobicContact CB-CG2 3.58Å; G70-T143 WeakPolarHBondContact CA-OG1 3.38Å; G70-T143 PolarHBondContact O-N 2.73Å; G70-T143 PolarHBondContact O-OG1 3.01Å; V72-T143 HydrophobicContact CG2-CG2 4.16Å; D95-T143 HydrophobicContact CB-CG2 4.28Å; T143-R145 PolarHBondContact O-N 2.97Å; T143-R145 WeakPolarHBondContact OG1-CG 3.37Å; T143-R146 VanDerWaalsContact O-CB 3.28Å; T143-R146 WeakPolarHBondContact O-CB 3.38Å; T143-R146 PolarHBondContact O-N 2.84Å
144	A	87.9	Confident	83.3	Confident	20 Å²	20	64.1 Å²	64.1	17%	0.165	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-57.9	-40.3	-179.5	0	0	0	0	0	111.1	F47 T48 R146 I147 L148	F47-A144 PolarHBondContact O-N 2.89Å; T48-A144 HydrophobicContact CG2-CB 4.49Å; A144-R146 PolarHBondContact O-N 3.34Å; A144-R146 VanDerWaalsContact O-N 3.11Å; A144-I147 PolarHBondContact O-N 3.03Å; A144-L148 WeakPolarHBondContact O-CB 3.2Å; A144-L148 PolarHBondContact O-N 3.43Å
145	R	81.4	Confident	82.1	Confident	95 Å²	95	61.7 Å²	61.7	36%	0.358	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59.1	-19.1	175.5	65.3	-174.8	-54.8	-67.3	-17.6	115.3	E49 H112 T143 I147 L148	E49-R145 IonicContact OE1-NE 2.86Å; H112-R145 PolarHBondContact CD2-NH1 2.87Å; H112-R145 PolarHBondContact CD2-NH2 3.34Å; H112-R145 PolarHBondContact CE1-NE 2.9Å; H112-R145 VanDerWaalsContact CE1-NE 3.32Å; H112-R145 PolarHBondContact CE1-NH2 3.19Å; H112-R145 VanDerWaalsContact ND1-CZ 3.31Å; H112-R145 PolarHBondContact ND1-NE 3.47Å; H112-R145 VanDerWaalsContact ND1-NE 3.2Å; H112-R145 PolarHBondContact NE2-NH2 3.45Å; T143-R145 PolarHBondContact O-N 2.97Å; T143-R145 WeakPolarHBondContact OG1-CG 3.37Å; R145-I147 VanDerWaalsContact C-N 3.29Å; R145-L148 CarbonylContact C-O 3.54Å; R145-L148 WeakPolarHBondContact CA-O 3.4Å
146	R	74.8	Confident	80.6	Confident	55 Å²	55	65.8 Å²	65.8	21%	0.208	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-72.8	-25.8	173.7	-175.3	175.3	170.2	76.1	12.1	112	K69 G70 T143 A144 F158	K69-R146 PolarHBondContact O-NH1 3.36Å; G70-R146 WeakPolarHBondContact O-CD 3.09Å; T143-R146 VanDerWaalsContact O-CB 3.28Å; T143-R146 WeakPolarHBondContact O-CB 3.38Å; T143-R146 PolarHBondContact O-N 2.84Å; A144-R146 PolarHBondContact O-N 3.34Å; A144-R146 VanDerWaalsContact O-N 3.11Å; R146-F158 HydrophobicContact CG-CD2 4.4Å; R146-F158 WeakPolarHBondContact O-CD2 3.42Å
147	I	71.4	Confident	79	Confident	39 Å²	39	65.9 Å²	65.9	20%	0.2	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-21.8	-173.7	-47.5	-166.3	0	0	0	111.6	L46 A144 R145 P154 N155 F158	L46-I147 HydrophobicContact CD2-CD1 3.47Å; L46-I147 VanDerWaalsContact CD2-CD1 3.47Å; L46-I147 HydrophobicContact CD2-CG1 4.22Å; A144-I147 PolarHBondContact O-N 3.03Å; R145-I147 VanDerWaalsContact C-N 3.29Å; I147-P154 CarbonylContact O-C 3.56Å; I147-P154 WeakPolarHBondContact O-CA 3.33Å; I147-N155 WeakPolarHBondContact O-CB 3.44Å; I147-N155 PolarHBondContact O-N 2.92Å; I147-F158 HydrophobicContact CD1-CE2 4.05Å; I147-F158 HydrophobicContact CD1-CZ 4.09Å; I147-F158 HydrophobicContact CG1-CD2 4.12Å; I147-F158 HydrophobicContact CG1-CE2 3.84Å; I147-F158 HydrophobicContact CG1-CZ 4.3Å
148	L	74.6	Confident	77.3	Confident	62 Å²	62	67 Å²	67	33%	0.325	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-123.9	140.3	-177.8	-56.1	174	0	0	0	109.7	A144 R145 S153	A144-L148 WeakPolarHBondContact O-CB 3.2Å; A144-L148 PolarHBondContact O-N 3.43Å; R145-L148 CarbonylContact C-O 3.54Å; R145-L148 WeakPolarHBondContact CA-O 3.4Å; L148-S153 CarbonylContact C-O 3.27Å; L148-S153 VanDerWaalsContact CA-O 3.27Å; L148-S153 WeakPolarHBondContact CA-O 3.49Å
149	N	72.2	Confident	75.6	Confident	68 Å²	68	68.5 Å²	68.5	36%	0.364	36%	0.363	S	S	.	.			trans	-71.9	169.5	164.7	-61.1	-46.4	0	0	0	109.8	D151 G152 S153 P154	N149-D151 VanDerWaalsContact CB-OD1 3.26Å; N149-D151 WeakPolarHBondContact CB-OD1 3.3Å; N149-D151 PolarHBondContact O-N 3.19Å; N149-G152 PolarHBondContact O-N 3.18Å; N149-S153 PolarHBondContact N-O 3.09Å; N149-S153 PolarHBondContact ND2-OG 2.94Å; N149-P154 PolarHBondContact ND2-O 2.95Å
150	E	69.2	Low	73.6	Confident	213 Å²	213	70.4 Å²	70.4	100%	0.995	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-26.2	178.6	-67.9	-179.6	99	0	0	113.4	G152	E150-G152 PolarHBondContact O-N 3.29Å
151	D	72.1	Confident	71.5	Confident	128 Å²	128	75.3 Å²	75.3	68%	0.684	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	1.6	175.8	72.1	-13.6	0	0	0	113.6	N149 S153	N149-D151 VanDerWaalsContact CB-OD1 3.26Å; N149-D151 WeakPolarHBondContact CB-OD1 3.3Å; N149-D151 PolarHBondContact O-N 3.19Å; D151-S153 VanDerWaalsContact C-N 3.26Å; D151-S153 VanDerWaalsContact CG-OG 3.32Å; D151-S153 PolarHBondContact O-N 3.03Å; D151-S153 VanDerWaalsContact OD1-CB 3.23Å; D151-S153 WeakPolarHBondContact OD1-CB 3.46Å; D151-S153 PolarHBondContact OD1-N 3.1Å; D151-S153 PolarHBondContact OD1-OG 3.44Å; D151-S153 PolarHBondContact OD2-OG 3.42Å
152	G	66.7	Low	69.8	Low	49 Å²	49	80 Å²	80	51%	0.505	42%	0.423	S	S	.	.	S	Bend	trans	78.2	2.8	-177.5	0	0	0	0	0	114.5	N149 E150	N149-G152 PolarHBondContact O-N 3.18Å; E150-G152 PolarHBondContact O-N 3.29Å
153	S	70.9	Confident	68	Low	39 Å²	39	82.3 Å²	82.3	27%	0.273	43%	0.434	S	S	.	.			trans	-72.6	153	171.7	68.1	0	0	0	0	111.1	L148 N149 D151 N155	L148-S153 CarbonylContact C-O 3.27Å; L148-S153 VanDerWaalsContact CA-O 3.27Å; L148-S153 WeakPolarHBondContact CA-O 3.49Å; N149-S153 PolarHBondContact N-O 3.09Å; N149-S153 PolarHBondContact ND2-OG 2.94Å; D151-S153 VanDerWaalsContact C-N 3.26Å; D151-S153 VanDerWaalsContact CG-OG 3.32Å; D151-S153 PolarHBondContact O-N 3.03Å; D151-S153 VanDerWaalsContact OD1-CB 3.23Å; D151-S153 WeakPolarHBondContact OD1-CB 3.46Å; D151-S153 PolarHBondContact OD1-N 3.1Å; D151-S153 PolarHBondContact OD1-OG 3.44Å; D151-S153 PolarHBondContact OD2-OG 3.42Å; S153-N155 PolarHBondContact O-N 3.03Å
154	P	69	Low	66.1	Low	88 Å²	88	82.7 Å²	82.7	57%	0.571	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-59.3	131.8	174.6	-23.2	33.8	0	0	0	112	I147 N149 L156	I147-P154 CarbonylContact O-C 3.56Å; I147-P154 WeakPolarHBondContact O-CA 3.33Å; N149-P154 PolarHBondContact ND2-O 2.95Å; P154-L156 PolarHBondContact O-N 2.9Å
155	N	69.4	Low	64.2	Low	37 Å²	37	90 Å²	90	20%	0.198	47%	0.466	C	S	.	.			trans	-68.8	110.8	170.9	-177.8	-13.8	0	0	0	108.8	I147 S153 D157 F158	I147-N155 WeakPolarHBondContact O-CB 3.44Å; I147-N155 PolarHBondContact O-N 2.92Å; S153-N155 PolarHBondContact O-N 3.03Å; N155-D157 VanDerWaalsContact C-N 3.29Å; N155-D157 PolarHBondContact O-N 3Å; N155-D157 WeakPolarHBondContact OD1-CB 3.49Å; N155-D157 PolarHBondContact OD1-N 3.31Å; N155-F158 HydrophobicContact CB-CB 4.47Å; N155-F158 WeakPolarHBondContact O-CB 3.49Å; N155-F158 PolarHBondContact O-N 3.15Å
156	L	60.1	Low	62.6	Low	162 Å²	162	89.7 Å²	89.7	85%	0.848	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-17.1	-176.6	-62.5	177	0	0	0	113.3	P154 F158	P154-L156 PolarHBondContact O-N 2.9Å; L156-F158 PolarHBondContact O-N 2.94Å
157	D	61.3	Low	61	Low	142 Å²	142	94.1 Å²	94.1	76%	0.759	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.3	171.2	-62.7	-57.8	0	0	0	111.9	N155 K159	N155-D157 VanDerWaalsContact C-N 3.29Å; N155-D157 PolarHBondContact O-N 3Å; N155-D157 WeakPolarHBondContact OD1-CB 3.49Å; N155-D157 PolarHBondContact OD1-N 3.31Å; D157-K159 PolarHBondContact O-N 3.42Å; D157-K159 VanDerWaalsContact O-N 3.09Å
158	F	60	Low	59.7	Low	45 Å²	45	97.1 Å²	97.1	20%	0.197	51%	0.511	C	S	.	.			trans	-65.3	108.9	169.4	179.4	-102.6	0	0	0	109.9	R146 I147 N155 L156 P160 Q163	R146-F158 HydrophobicContact CG-CD2 4.4Å; R146-F158 WeakPolarHBondContact O-CD2 3.42Å; I147-F158 HydrophobicContact CD1-CE2 4.05Å; I147-F158 HydrophobicContact CD1-CZ 4.09Å; I147-F158 HydrophobicContact CG1-CD2 4.12Å; I147-F158 HydrophobicContact CG1-CE2 3.84Å; I147-F158 HydrophobicContact CG1-CZ 4.3Å; N155-F158 HydrophobicContact CB-CB 4.47Å; N155-F158 WeakPolarHBondContact O-CB 3.49Å; N155-F158 PolarHBondContact O-N 3.15Å; L156-F158 PolarHBondContact O-N 2.94Å; F158-P160 HydrophobicContact CD1-CG 4.13Å; F158-P160 HydrophobicContact CE1-CB 4.28Å; F158-P160 HydrophobicContact CE1-CG 3.89Å; F158-P160 WeakPolarHBondContact O-CD 3.4Å; F158-Q163 HydrophobicContact CE2-CG 4.38Å; F158-Q163 HydrophobicContact CZ-CG 4.16Å
159	K	58.8	Low	58.2	Low	110 Å²	110	102.4 Å²	102.4	48%	0.478	53%	0.532	S	S	.	.			trans	-96.2	112.8	170	-61.6	-174.8	-173.9	177.2	0	109.2	D157 E161 D162	D157-K159 PolarHBondContact O-N 3.42Å; D157-K159 VanDerWaalsContact O-N 3.09Å; K159-E161 HydrophobicContact CB-CG 3.98Å; K159-E161 PolarHBondContact O-N 2.96Å; K159-D162 HydrophobicContact CB-CB 4.25Å; K159-D162 WeakPolarHBondContact CB-OD2 3.28Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.38Å
160	P	52.3	Low	56.6	Low	76 Å²	76	106.2 Å²	106.2	49%	0.494	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-57.1	-29.1	176	-22.7	32.7	0	0	0	112.4	F158 D162 Q163	F158-P160 HydrophobicContact CD1-CG 4.13Å; F158-P160 HydrophobicContact CE1-CB 4.28Å; F158-P160 HydrophobicContact CE1-CG 3.89Å; F158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-D162 VanDerWaalsContact C-N 3.29Å; P160-D162 PolarHBondContact O-N 2.93Å; P160-Q163 VanDerWaalsContact O-CB 3.29Å; P160-Q163 WeakPolarHBondContact O-CB 3.44Å; P160-Q163 WeakPolarHBondContact O-CG 3.24Å; P160-Q163 PolarHBondContact O-N 2.81Å
161	E	51.9	Low	55.1	Low	146 Å²	146	104.3 Å²	104.3	68%	0.682	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-66.6	-22.4	174.7	61.1	-105	-141	0	0	114.9	K159 Q163	K159-E161 HydrophobicContact CB-CG 3.98Å; K159-E161 PolarHBondContact O-N 2.96Å; E161-Q163 PolarHBondContact O-N 3.39Å
162	D	56.7	Low	53.8	Low	101 Å²	101	111.4 Å²	111.4	54%	0.54	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-82.1	-1.4	175.5	-68.7	-21	0	0	0	111.9	K159 P160	K159-D162 HydrophobicContact CB-CB 4.25Å; K159-D162 WeakPolarHBondContact CB-OD2 3.28Å; K159-D162 WeakPolarHBondContact O-CB 3.35Å; K159-D162 PolarHBondContact O-N 3.38Å; P160-D162 VanDerWaalsContact C-N 3.29Å; P160-D162 PolarHBondContact O-N 2.93Å
163	Q	54.1	Low	53.2	Low	48 Å²	48	114.5 Å²	114.5	22%	0.224	57%	0.571	C	S	.	*	S	Bend	trans	-70.5	133.2	170.9	-67.9	-177.4	61.6	0	0	109.3	F158 P160 E161 H165	F158-Q163 HydrophobicContact CE2-CG 4.38Å; F158-Q163 HydrophobicContact CZ-CG 4.16Å; P160-Q163 VanDerWaalsContact O-CB 3.29Å; P160-Q163 WeakPolarHBondContact O-CB 3.44Å; P160-Q163 WeakPolarHBondContact O-CG 3.24Å; P160-Q163 PolarHBondContact O-N 2.81Å; E161-Q163 PolarHBondContact O-N 3.39Å; Q163-H165 PolarHBondContact O-N 2.69Å; Q163-H165 VanDerWaalsContact O-N 3.07Å
164	P	52.3	Low	52.2	Low	13 Å²	13	118.5 Å²	118.5	8%	0.084	59%	0.587	C	S	.	*	P	Polyproline II helix	trans	-55.7	122.4	165.6	26.5	-32.9	0	0	0	107.9	K134 I139 F166	K134-P164 HydrophobicContact CD-CB 4.09Å; K134-P164 VanDerWaalsContact CE-CB 3.46Å; I139-P164 HydrophobicContact CD1-CB 4.15Å; I139-P164 HydrophobicContact CD1-CG 3.55Å; P164-F166 PolarHBondContact O-N 2.96Å; P164-F166 VanDerWaalsContact O-N 3.11Å
165	H	49.8	Very low	51.3	Low	174 Å²	174	120.2 Å²	120.2	81%	0.806	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.8	123.1	168.5	-112.4	62.8	0	0	0	107.2	Q163 D167	Q163-H165 PolarHBondContact O-N 2.69Å; Q163-H165 VanDerWaalsContact O-N 3.07Å; H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 PolarHBondContact O-N 2.74Å
166	F	46.3	Very low	50.2	Low	88 Å²	88	125.1 Å²	125.1	39%	0.386	61%	0.611	S	S	.	*			trans	-70.5	97.9	170.8	-69.6	-89.7	0	0	0	106.7	I139 Y142 P164 I168	I139-F166 HydrophobicContact CB-CE1 3.8Å; I139-F166 HydrophobicContact CB-CZ 4.5Å; I139-F166 HydrophobicContact CG2-CE1 3.64Å; I139-F166 HydrophobicContact CG2-CZ 3.86Å; Y142-F166 HydrophobicContact CE2-CE2 4.11Å; Y142-F166 AromaticContact CE2-CZ 3.85Å; Y142-F166 HydrophobicContact CE2-CZ 3.85Å; Y142-F166 AromaticContact CZ-CZ 3.99Å; Y142-F166 WeakPolarHBondContact OH-CE2 3.37Å; Y142-F166 WeakPolarHBondContact OH-CZ 3.42Å; P164-F166 PolarHBondContact O-N 2.96Å; P164-F166 VanDerWaalsContact O-N 3.11Å; F166-I168 HydrophobicContact CB-CG1 3.94Å; F166-I168 PolarHBondContact O-N 2.74Å
167	D	42.7	Very low	49.6	Very low	148 Å²	148	122.8 Å²	122.8	79%	0.791	60%	0.596	S	S	*	*			trans	-72.1	82.9	152.5	-70.3	-65.1	0	0	0	105.7	H165 K169	H165-D167 VanDerWaalsContact C-N 3.34Å; H165-D167 PolarHBondContact O-N 2.74Å; D167-K169 VanDerWaalsContact C-N 3.25Å; D167-K169 PolarHBondContact O-N 3.16Å
168	I	44.2	Very low	48.8	Very low	103 Å²	103	121.5 Å²	121.5	53%	0.528	59%	0.585	S	S	.	*			trans	-62.2	100.8	165	-56.1	175.2	0	0	0	103.8	P42 F166 D170	P42-I168 HydrophobicContact CG-CD1 4.17Å; F166-I168 HydrophobicContact CB-CG1 3.94Å; F166-I168 PolarHBondContact O-N 2.74Å; I168-D170 VanDerWaalsContact C-N 3.33Å; I168-D170 PolarHBondContact O-N 3.49Å
169	K	42	Very low	48	Very low	173 Å²	173	126.9 Å²	126.9	75%	0.752	61%	0.613	S	S	*	*			trans	-63.5	106.2	164.6	-75.7	-178.7	175.2	-179.7	0	105.3	D167 E171	D167-K169 VanDerWaalsContact C-N 3.25Å; D167-K169 PolarHBondContact O-N 3.16Å; K169-E171 PolarHBondContact O-N 3.46Å
170	D	38	Very low	47.2	Very low	147 Å²	147	128.2 Å²	128.2	79%	0.786	62%	0.623	S	S	*	*			trans	-61.1	85.4	167.4	-70.2	-53.2	0	0	0	108.2	I168	I168-D170 VanDerWaalsContact C-N 3.33Å; I168-D170 PolarHBondContact O-N 3.49Å
171	E	37.8	Very low	46.8	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.813	63%	0.634	S	S	*	*			trans	-116.6	87.8	166.1	-77.1	-174.7	150.9	0	0	107.7	K169	K169-E171 PolarHBondContact O-N 3.46Å
172	F	45.7	Very low	46.3	Very low	276 Å²	276	131.4 Å²	131.4	100%	1.211	63%	0.629	S	S	*	*			trans	-97.4	0	152.2	-80.9	-82.1	0	0	0	108.8

Retrieved 172 of 172 residues in 188 ms (Link to these results)

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