A0A096NGS9_PAPAN Loading...

Ankyrin repeat domain 39

AlphaFold DB , UniProt , Accession A0A096NGS9, Species PAPAN (Papio anubis, Olive baboon), Gene ANKRD39, Length 183 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	37.8	Very low	42.8	Very low	246 Å²	246	135.6 Å²	135.6	100%	1.212	83%	0.825	S	S	*	*				0	125.4	0	-73.6	174	-179	0	0	107.8
2	A	38.3	Very low	42.3	Very low	100 Å²	100	134.3 Å²	134.3	83%	0.826	82%	0.823	S	S	*	*			trans	41.8	112	161.5	0	0	0	0	0	120.3
3	T	46.2	Very low	41.8	Very low	137 Å²	137	133.3 Å²	133.3	84%	0.84	82%	0.823	S	S	*	*			trans	-74.2	149.6	139	51	0	0	0	0	109.1
4	P	41.8	Very low	41.6	Very low	120 Å²	120	130.7 Å²	130.7	78%	0.779	81%	0.813	S	S	*	*				-145.4	143.2	102.1	33.7	-15.5	0	0	0	115.6
5	R	38.6	Very low	41.6	Very low	229 Å²	229	134.5 Å²	134.5	86%	0.864	82%	0.817	S	S	*	*			trans	-76.9	-172.6	146.8	-61	170.7	82.4	-145.5	9.2	107.8
6	P	55.9	Low	41.4	Very low	104 Å²	104	133.1 Å²	133.1	68%	0.675	81%	0.811	S	S	*	*			cis	-130.4	-175.3	-26.6	21.9	3.5	0	0	0	111
7	C	32.1	Very low	41.3	Very low	115 Å²	115	132.1 Å²	132.1	78%	0.777	81%	0.811	S	S	*	*			trans	169	111.2	131	-86.2	0	0	0	0	106.9
8	A	42.1	Very low	41.1	Very low	75 Å²	75	129.7 Å²	129.7	62%	0.62	81%	0.807	S	S	*	*				64.5	109.7	75.1	0	0	0	0	0	111
9	D	39.7	Very low	41.3	Very low	162 Å²	162	129.2 Å²	129.2	87%	0.866	80%	0.803	S	S	*	*				152.1	112.8	117.2	-75.4	-36.2	0	0	0	112.8
10	G	46.9	Very low	41.2	Very low	75 Å²	75	131.7 Å²	131.7	77%	0.773	81%	0.809	S	S	*	*			trans	104.6	144.3	136.9	0	0	0	0	0	117.9
11	P	51.4	Low	41.1	Very low	129 Å²	129	128.4 Å²	128.4	84%	0.838	80%	0.802	S	S	*	*			trans	-111.6	-179.4	-154.8	36	-19.3	0	0	0	113.4
12	C	37.3	Very low	41.1	Very low	119 Å²	119	121.8 Å²	121.8	80%	0.804	78%	0.776	S	S	*	*			trans	93.9	90.1	164.3	-139.4	0	0	0	0	115.9
13	C	35.1	Very low	41.1	Very low	122 Å²	122	124.3 Å²	124.3	82%	0.824	77%	0.77	S	S	*	*	S	Bend		-144.7	99.7	117.3	-88.4	0	0	0	0	108.7
14	S	38.9	Very low	41.2	Very low	97 Å²	97	125.2 Å²	125.2	68%	0.678	77%	0.765	S	S	*	*			trans	55.2	96.3	135.2	41.6	0	0	0	0	119.3
15	Q	41.8	Very low	41.1	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	75%	0.753	S	S	*	*			trans	91.8	110.6	134.1	-61.3	-140	-44	0	0	119.1
16	P	39.3	Very low	41.1	Very low	112 Å²	112	118.8 Å²	118.8	73%	0.727	74%	0.743	S	S	*	*			trans	-88.2	154.8	161.1	34.6	-28.5	0	0	0	111.6
17	S	39.3	Very low	41	Very low	116 Å²	116	122.7 Å²	122.7	81%	0.811	75%	0.753	S	S	*	*			trans	48.2	124.3	142.2	-57.9	0	0	0	0	118.1
18	A	37.3	Very low	41.8	Very low	89 Å²	89	125.7 Å²	125.7	74%	0.736	76%	0.755	S	S	*	*				171.2	146.8	96.9	0	0	0	0	0	111.7
19	V	44.6	Very low	42.1	Very low	120 Å²	120	128.8 Å²	128.8	73%	0.727	76%	0.759	S	S	*	*			trans	68.8	83.3	161.5	-145.5	0	0	0	0	114.3	G21	V19-G21 PolarHBondContact O-N 2.94Å
20	L	40.3	Very low	42.7	Very low	178 Å²	178	127.8 Å²	127.8	93%	0.932	75%	0.753	S	S	*	*			trans	-49.1	94.1	135.5	-92.4	96.3	0	0	0	106.7	V22	L20-V22 PolarHBondContact O-N 3.16Å
21	G	38.5	Very low	42.9	Very low	64 Å²	64	130.9 Å²	130.9	66%	0.66	75%	0.746	S	S	*	*			trans	-66.8	82.9	174.2	0	0	0	0	0	108.7	V19	V19-G21 PolarHBondContact O-N 2.94Å
22	V	37.8	Very low	42.8	Very low	107 Å²	107	131.2 Å²	131.2	65%	0.648	74%	0.736	S	S	*	*			trans	47.3	97.4	140.4	-153.4	0	0	0	0	114.3	L20	L20-V22 PolarHBondContact O-N 3.16Å
23	Q	38.4	Very low	43.9	Very low	152 Å²	152	133 Å²	133	71%	0.71	73%	0.726	S	S	*	*			trans	54.5	86.2	137.6	-64.4	-178	-19.4	0	0	115.7	T25	Q23-T25 HydrophobicContact CB-CG2 3.72Å; Q23-T25 HydrophobicContact CG-CG2 3.93Å; Q23-T25 PolarHBondContact O-N 2.97Å
24	Q	49.2	Very low	45.9	Very low	157 Å²	157	127.6 Å²	127.6	73%	0.734	69%	0.691	S	S	*	*			trans	-87.7	72.8	137.5	-144.1	133.6	38.7	0	0	106.7	L26	Q24-L26 PolarHBondContact O-N 3.32Å
25	T	37.7	Very low	48.1	Very low	85 Å²	85	123 Å²	123	52%	0.521	66%	0.659	S	S	.	*			trans	-46.5	118.3	169.1	36.4	0	0	0	0	109.4	Q23	Q23-T25 HydrophobicContact CB-CG2 3.72Å; Q23-T25 HydrophobicContact CG-CG2 3.93Å; Q23-T25 PolarHBondContact O-N 2.97Å
26	L	39.7	Very low	50.2	Low	128 Å²	128	116.3 Å²	116.3	67%	0.67	63%	0.626	S	S	*	*	S	Bend		62.3	98.1	112.7	-61.9	171.8	0	0	0	113.3	Q24 E28	Q24-L26 PolarHBondContact O-N 3.32Å; L26-E28 VanDerWaalsContact C-N 3.28Å; L26-E28 PolarHBondContact O-N 3.44Å
27	E	53.3	Low	52.4	Low	187 Å²	187	111.8 Å²	111.8	87%	0.874	60%	0.597	S	S	*	*			trans	49.9	24.1	131.8	-60.2	-177.1	114.2	0	0	120
28	E	49.4	Very low	54.8	Low	177 Å²	177	106.3 Å²	106.3	83%	0.827	56%	0.558	S	S	*	*			trans	-117.5	108.3	174.4	-66.7	-176.1	159.8	0	0	111.6	L26	L26-E28 VanDerWaalsContact C-N 3.28Å; L26-E28 PolarHBondContact O-N 3.44Å
29	M	48.6	Very low	57.3	Low	141 Å²	141	102 Å²	102	70%	0.695	52%	0.523	S	S	*	.			trans	72.5	62.6	159.2	-52.8	-178.7	71.2	0	0	118.5	F31 E32	M29-F31 PolarHBondContact O-N 2.92Å; M29-E32 PolarHBondContact O-N 2.98Å
30	D	51.8	Low	59.4	Low	141 Å²	141	98.2 Å²	98.2	75%	0.754	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-53.4	-9.3	168.4	-74.2	-54.4	0	0	0	115.6	E32	D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 3.27Å
31	F	51.1	Low	61.7	Low	140 Å²	140	95 Å²	95	61%	0.614	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-64	-31	174.4	-170.5	-99.8	0	0	0	113.2	M29 S37 L40	M29-F31 PolarHBondContact O-N 2.92Å; F31-S37 VanDerWaalsContact O-CB 3.29Å; F31-S37 WeakPolarHBondContact O-CB 3.3Å; F31-L40 HydrophobicContact CZ-CD2 4.39Å
32	E	50.2	Low	64.1	Low	135 Å²	135	93 Å²	93	63%	0.631	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-87.2	-13.8	-174.8	-72.6	-160.4	159.1	0	0	114.7	M29 D30 R46	M29-E32 PolarHBondContact O-N 2.98Å; D30-E32 VanDerWaalsContact C-N 3.31Å; D30-E32 PolarHBondContact O-N 3.27Å; E32-R46 PolarHBondContact O-NH2 3.06Å
33	R	60.4	Low	66.6	Low	156 Å²	156	91.5 Å²	91.5	59%	0.589	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	-20.6	-175.9	-97.7	179	164.3	-174.7	-3.9	115.6
34	G	76.3	Confident	69.1	Low	10 Å²	10	86.4 Å²	86.4	10%	0.103	43%	0.428	C	S	.	.	S	Bend	trans	-69.5	149.6	-177.5	0	0	0	0	0	114.1	W36 S37	G34-W36 PolarHBondContact O-N 3.49Å; G34-S37 PolarHBondContact O-N 3.44Å; G34-S37 VanDerWaalsContact O-N 3.07Å
35	I	84.4	Confident	71	Confident	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-51.5	-25.8	172.3	-169.7	165.8	0	0	0	113.8	A38 A39 V47 L50 I51 A67 L83	I35-A38 PolarHBondContact O-N 3Å; I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 2.94Å; I35-V47 HydrophobicContact CD1-CG1 4.3Å; I35-V47 HydrophobicContact CG1-CG1 4.38Å; I35-L50 HydrophobicContact CB-CD1 4.01Å; I35-L50 HydrophobicContact CG1-CD1 4.31Å; I35-I51 HydrophobicContact CD1-CD1 4.36Å; I35-I51 HydrophobicContact CD1-CG1 3.79Å; I35-A67 HydrophobicContact CG1-CB 4.15Å; I35-A67 HydrophobicContact CG2-CB 4.24Å; I35-L83 HydrophobicContact CD1-CD2 4.22Å
36	W	85.8	Confident	73.3	Confident	48 Å²	48	81.9 Å²	81.9	18%	0.182	41%	0.41	C	S	.	.	H	α-helix	trans	-64.9	-38.7	177.1	-47.2	-39.9	0	0	0	113.9	G34 A39 L40 Q59 P60 D61 Y70	G34-W36 PolarHBondContact O-N 3.49Å; W36-A39 CarbonylContact O-C 3.44Å; W36-A39 PolarHBondContact O-N 3Å; W36-L40 VanDerWaalsContact O-CB 3.3Å; W36-L40 WeakPolarHBondContact O-CB 3.49Å; W36-L40 PolarHBondContact O-N 2.82Å; W36-Q59 HydrophobicContact CZ2-CB 4.21Å; W36-Q59 HydrophobicContact CZ2-CG 3.95Å; W36-Q59 WeakPolarHBondContact CZ2-O 3.47Å; W36-Q59 PolarHBondContact NE1-O 3.36Å; W36-P60 WeakPolarHBondContact CH2-O 3.28Å; W36-P60 WeakPolarHBondContact CZ2-O 3.35Å; W36-D61 HydrophobicContact CD2-CB 3.73Å; W36-D61 HydrophobicContact CE3-CB 3.42Å; W36-D61 VanDerWaalsContact CE3-CB 3.42Å; W36-D61 HydrophobicContact CH2-CB 3.63Å; W36-D61 HydrophobicContact CZ2-CB 3.89Å; W36-D61 HydrophobicContact CZ3-CB 3.36Å; W36-Y70 HydrophobicContact CB-CD2 3.66Å; W36-Y70 HydrophobicContact CB-CE2 3.78Å; W36-Y70 HydrophobicContact CG-CD2 4.14Å; W36-Y70 HydrophobicContact CG-CE2 4.09Å
37	S	86.3	Confident	75.7	Confident	16 Å²	16	75.8 Å²	75.8	11%	0.112	38%	0.378	C	S	.	.	H	α-helix	trans	-67.8	-39.8	178.7	175.9	0	0	0	0	111	F31 G34 A39 L40 N41	F31-S37 VanDerWaalsContact O-CB 3.29Å; F31-S37 WeakPolarHBondContact O-CB 3.3Å; G34-S37 PolarHBondContact O-N 3.44Å; G34-S37 VanDerWaalsContact O-N 3.07Å; S37-A39 VanDerWaalsContact C-N 3.34Å; S37-L40 PolarHBondContact O-N 3.45Å; S37-N41 PolarHBondContact O-N 2.87Å; S37-N41 VanDerWaalsContact O-N 3.07Å; S37-N41 PolarHBondContact O-ND2 3.22Å
38	A	89.6	Confident	77.4	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.008	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-44.1	172	0	0	0	0	0	111.2	I35 N41 G42 D43 R46 V47 L50	I35-A38 PolarHBondContact O-N 3Å; A38-N41 PolarHBondContact O-N 3.33Å; A38-G42 PolarHBondContact O-N 3.4Å; A38-D43 PolarHBondContact O-N 2.76Å; A38-R46 HydrophobicContact CB-CB 3.89Å; A38-R46 HydrophobicContact CB-CG 3.78Å; A38-V47 HydrophobicContact CB-CG2 3.64Å; A38-L50 HydrophobicContact CB-CD1 4.37Å
39	A	89.9	Confident	79.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-68.5	-34.1	178.6	0	0	0	0	0	113.9	I35 W36 S37 G42 V47 A67 A71 H76 V79	I35-A39 WeakPolarHBondContact O-CB 3.38Å; I35-A39 PolarHBondContact O-N 2.94Å; W36-A39 CarbonylContact O-C 3.44Å; W36-A39 PolarHBondContact O-N 3Å; S37-A39 VanDerWaalsContact C-N 3.34Å; A39-G42 PolarHBondContact O-N 3.03Å; A39-V47 HydrophobicContact CB-CG2 4.43Å; A39-A67 HydrophobicContact CB-CB 3.77Å; A39-A67 WeakPolarHBondContact CB-O 3.46Å; A39-A71 HydrophobicContact CB-CB 4.28Å; A39-H76 PolarHBondContact O-CD2 3.32Å; A39-H76 VanDerWaalsContact O-CD2 3.22Å; A39-V79 HydrophobicContact CB-CG1 3.96Å
40	L	88.9	Confident	81.1	Confident	39 Å²	39	61.3 Å²	61.3	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-63.3	-43	173.1	-178.7	76.5	0	0	0	111	F31 W36 S37 G42 Y70 N74 H76	F31-L40 HydrophobicContact CZ-CD2 4.39Å; W36-L40 VanDerWaalsContact O-CB 3.3Å; W36-L40 WeakPolarHBondContact O-CB 3.49Å; W36-L40 PolarHBondContact O-N 2.82Å; S37-L40 PolarHBondContact O-N 3.45Å; L40-G42 VanDerWaalsContact C-N 3.31Å; L40-Y70 HydrophobicContact CB-CD1 4.48Å; L40-Y70 HydrophobicContact CD1-CD1 3.71Å; L40-Y70 HydrophobicContact CD1-CE1 4.45Å; L40-Y70 HydrophobicContact CD1-CG 4.5Å; L40-N74 WeakPolarHBondContact CD1-ND2 3.47Å; L40-N74 PolarHBondContact O-ND2 3.24Å; L40-H76 PolarHBondContact O-CD2 3.4Å; L40-H76 VanDerWaalsContact O-CD2 3.29Å; L40-H76 PolarHBondContact O-NE2 3.05Å
41	N	87.8	Confident	82.7	Confident	110 Å²	110	55.9 Å²	55.9	59%	0.588	28%	0.278	S	S	*	.	H	α-helix	trans	-81.6	-8.8	-179.5	-68.3	-44.5	0	0	0	113.6	S37 A38 D43	S37-N41 PolarHBondContact O-N 2.87Å; S37-N41 VanDerWaalsContact O-N 3.07Å; S37-N41 PolarHBondContact O-ND2 3.22Å; A38-N41 PolarHBondContact O-N 3.33Å; N41-D43 VanDerWaalsContact C-N 3.26Å; N41-D43 PolarHBondContact O-N 3.29Å
42	G	89.6	Confident	84.3	Confident	24 Å²	24	56.7 Å²	56.7	25%	0.247	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	16.9	-176.3	0	0	0	0	0	113.3	A38 A39 L40 L44 H76	A38-G42 PolarHBondContact O-N 3.4Å; A39-G42 PolarHBondContact O-N 3.03Å; L40-G42 VanDerWaalsContact C-N 3.31Å; G42-L44 VanDerWaalsContact C-N 3.34Å; G42-L44 PolarHBondContact O-N 3.5Å; G42-H76 VanDerWaalsContact CA-CD2 3.44Å; G42-H76 WeakPolarHBondContact CA-CD2 3.34Å; G42-H76 VanDerWaalsContact CA-CG 3.42Å; G42-H76 PolarHBondContact N-CD2 3.09Å; G42-H76 VanDerWaalsContact N-CD2 3.33Å; G42-H76 PolarHBondContact N-NE2 3.27Å
43	D	90.1	Very high	85.8	Confident	74 Å²	74	57 Å²	57	40%	0.396	28%	0.283	S	S	.	.			trans	-78.2	84.4	-178.3	-172.8	-12.6	0	0	0	110.5	A38 N41 G45 R46 V47	A38-D43 PolarHBondContact O-N 2.76Å; N41-D43 VanDerWaalsContact C-N 3.26Å; N41-D43 PolarHBondContact O-N 3.29Å; D43-G45 PolarHBondContact O-N 3.41Å; D43-G45 PolarHBondContact OD1-N 3.07Å; D43-G45 VanDerWaalsContact OD1-N 3.16Å; D43-R46 HydrophobicContact CB-CB 4.07Å; D43-R46 PolarHBondContact O-N 2.92Å; D43-R46 PolarHBondContact OD1-N 3.26Å; D43-R46 VanDerWaalsContact OD2-CB 3.3Å; D43-R46 WeakPolarHBondContact OD2-CB 3.33Å; D43-V47 WeakPolarHBondContact O-CG2 3.38Å; D43-V47 PolarHBondContact O-N 3.33Å
44	L	90.6	Very high	86.5	Confident	46 Å²	46	53.8 Å²	53.8	24%	0.241	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-34.5	178.5	-178.2	63.9	0	0	0	112.5	G42 R46 V47 K48 A78 V79 F82	G42-L44 VanDerWaalsContact C-N 3.34Å; G42-L44 PolarHBondContact O-N 3.5Å; L44-R46 VanDerWaalsContact C-N 3.35Å; L44-V47 PolarHBondContact O-N 2.99Å; L44-K48 HydrophobicContact CD1-CD 4.42Å; L44-K48 HydrophobicContact CD1-CG 4.38Å; L44-K48 HydrophobicContact CG-CD 4.06Å; L44-K48 HydrophobicContact CG-CG 4.45Å; L44-K48 WeakPolarHBondContact O-CB 3.24Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.33Å; L44-K48 PolarHBondContact O-N 3.44Å; L44-A78 HydrophobicContact CD2-CB 4.41Å; L44-V79 HydrophobicContact CB-CG2 4.28Å; L44-V79 HydrophobicContact CD1-CG2 4.45Å; L44-F82 HydrophobicContact CD1-CB 3.63Å; L44-F82 HydrophobicContact CD1-CD1 3.96Å; L44-F82 HydrophobicContact CD1-CD2 4.48Å; L44-F82 HydrophobicContact CD1-CG 3.76Å
45	G	89.1	Confident	86.5	Confident	48 Å²	48	55.8 Å²	55.8	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-63.9	-44.4	179.7	0	0	0	0	0	111	D43 K48 H49	D43-G45 PolarHBondContact O-N 3.41Å; D43-G45 PolarHBondContact OD1-N 3.07Å; D43-G45 VanDerWaalsContact OD1-N 3.16Å; G45-K48 PolarHBondContact O-N 2.78Å; G45-H49 WeakPolarHBondContact O-CB 3.48Å; G45-H49 PolarHBondContact O-N 3.28Å
46	R	87.4	Confident	86.4	Confident	99 Å²	99	60.8 Å²	60.8	37%	0.374	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-41.4	176	-169.8	170.5	-179.8	165.5	-1.6	112.5	E32 A38 D43 L44 K48 H49 L50	E32-R46 PolarHBondContact O-NH2 3.06Å; A38-R46 HydrophobicContact CB-CB 3.89Å; A38-R46 HydrophobicContact CB-CG 3.78Å; D43-R46 HydrophobicContact CB-CB 4.07Å; D43-R46 PolarHBondContact O-N 2.92Å; D43-R46 PolarHBondContact OD1-N 3.26Å; D43-R46 VanDerWaalsContact OD2-CB 3.3Å; D43-R46 WeakPolarHBondContact OD2-CB 3.33Å; L44-R46 VanDerWaalsContact C-N 3.35Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 2.95Å; R46-H49 PolarHBondContact O-N 2.99Å; R46-L50 HydrophobicContact CG-CD1 4.13Å; R46-L50 VanDerWaalsContact O-CG 3.26Å; R46-L50 WeakPolarHBondContact O-CG 3.2Å; R46-L50 PolarHBondContact O-N 3.09Å
47	V	88.3	Confident	86.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.5	-46.5	174.3	174.3	0	0	0	0	111	I35 A38 A39 D43 L44 H49 L50 I51 V79 F82 L83	I35-V47 HydrophobicContact CD1-CG1 4.3Å; I35-V47 HydrophobicContact CG1-CG1 4.38Å; A38-V47 HydrophobicContact CB-CG2 3.64Å; A39-V47 HydrophobicContact CB-CG2 4.43Å; D43-V47 WeakPolarHBondContact O-CG2 3.38Å; D43-V47 PolarHBondContact O-N 3.33Å; L44-V47 PolarHBondContact O-N 2.99Å; V47-H49 PolarHBondContact O-N 3.27Å; V47-L50 PolarHBondContact O-N 3.45Å; V47-I51 HydrophobicContact CG1-CD1 4.18Å; V47-I51 WeakPolarHBondContact O-CG1 3.26Å; V47-I51 PolarHBondContact O-N 3.44Å; V47-V79 HydrophobicContact CG2-CG1 4.02Å; V47-F82 HydrophobicContact CG1-CD1 3.88Å; V47-F82 HydrophobicContact CG1-CE1 4.14Å; V47-L83 HydrophobicContact CG1-CD2 3.9Å; V47-L83 HydrophobicContact CG1-CG 4.34Å
48	K	89.7	Confident	85.9	Confident	84 Å²	84	59.9 Å²	59.9	37%	0.365	32%	0.324	S	S	.	.	H	α-helix	trans	-56.6	-48.1	175.7	-80.3	172	176.4	-176.2	0	112.4	L44 G45 R46 L50 I51 Q52 F82	L44-K48 HydrophobicContact CD1-CD 4.42Å; L44-K48 HydrophobicContact CD1-CG 4.38Å; L44-K48 HydrophobicContact CG-CD 4.06Å; L44-K48 HydrophobicContact CG-CG 4.45Å; L44-K48 WeakPolarHBondContact O-CB 3.24Å; L44-K48 VanDerWaalsContact O-CG 3.28Å; L44-K48 WeakPolarHBondContact O-CG 3.33Å; L44-K48 PolarHBondContact O-N 3.44Å; G45-K48 PolarHBondContact O-N 2.78Å; R46-K48 VanDerWaalsContact C-N 3.34Å; R46-K48 PolarHBondContact O-N 2.95Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3Å; K48-I51 PolarHBondContact O-N 3.27Å; K48-Q52 WeakPolarHBondContact O-CB 3.44Å; K48-Q52 WeakPolarHBondContact O-CG 3.26Å; K48-Q52 PolarHBondContact O-N 2.98Å; K48-F82 HydrophobicContact CB-CE1 4.2Å; K48-F82 HydrophobicContact CB-CZ 4.17Å; K48-F82 HydrophobicContact CD-CE2 4.37Å; K48-F82 HydrophobicContact CD-CZ 4.37Å; K48-F82 HydrophobicContact CG-CD1 4.09Å; K48-F82 HydrophobicContact CG-CD2 4.32Å; K48-F82 HydrophobicContact CG-CE1 3.46Å; K48-F82 VanDerWaalsContact CG-CE1 3.46Å; K48-F82 HydrophobicContact CG-CE2 3.75Å; K48-F82 HydrophobicContact CG-CG 4.48Å; K48-F82 HydrophobicContact CG-CZ 3.32Å
49	H	88.1	Confident	85.6	Confident	98 Å²	98	63.7 Å²	63.7	45%	0.454	34%	0.341	S	S	.	.	H	α-helix	trans	-63.1	-37.8	-179.5	-170.5	67.6	0	0	0	112.6	G45 R46 V47 K53	G45-H49 WeakPolarHBondContact O-CB 3.48Å; G45-H49 PolarHBondContact O-N 3.28Å; R46-H49 PolarHBondContact O-N 2.99Å; V47-H49 PolarHBondContact O-N 3.27Å; H49-K53 WeakPolarHBondContact NE2-CE 3.41Å; H49-K53 WeakPolarHBondContact O-CG 3.49Å; H49-K53 PolarHBondContact O-N 3.04Å; H49-K53 VanDerWaalsContact O-N 3.15Å
50	L	86.9	Confident	85.4	Confident	19 Å²	19	67.3 Å²	67.3	10%	0.099	37%	0.365	C	S	.	.	H	α-helix	trans	-70.2	-44.2	178.5	-66.5	169.7	0	0	0	111.8	I35 A38 R46 V47 K48 Q52 K53 E55	I35-L50 HydrophobicContact CB-CD1 4.01Å; I35-L50 HydrophobicContact CG1-CD1 4.31Å; A38-L50 HydrophobicContact CB-CD1 4.37Å; R46-L50 HydrophobicContact CG-CD1 4.13Å; R46-L50 VanDerWaalsContact O-CG 3.26Å; R46-L50 WeakPolarHBondContact O-CG 3.2Å; R46-L50 PolarHBondContact O-N 3.09Å; V47-L50 PolarHBondContact O-N 3.45Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3Å; L50-Q52 VanDerWaalsContact C-N 3.31Å; L50-Q52 PolarHBondContact O-N 3.47Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 WeakPolarHBondContact O-CB 3.34Å; L50-K53 PolarHBondContact O-N 2.87Å; L50-E55 HydrophobicContact CB-CB 4.4Å; L50-E55 WeakPolarHBondContact CD2-OE2 3.48Å; L50-E55 VanDerWaalsContact O-CB 3.25Å; L50-E55 WeakPolarHBondContact O-CB 3.49Å; L50-E55 PolarHBondContact O-N 3.29Å
51	I	85.6	Confident	85.2	Confident	26 Å²	26	66.4 Å²	66.4	13%	0.133	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-39.7	175.1	-63	-176.9	0	0	0	111	I35 V47 K48 K53 A54 P57 F82 L83 N86	I35-I51 HydrophobicContact CD1-CD1 4.36Å; I35-I51 HydrophobicContact CD1-CG1 3.79Å; V47-I51 HydrophobicContact CG1-CD1 4.18Å; V47-I51 WeakPolarHBondContact O-CG1 3.26Å; V47-I51 PolarHBondContact O-N 3.44Å; K48-I51 PolarHBondContact O-N 3.27Å; I51-K53 PolarHBondContact O-N 3.14Å; I51-A54 WeakPolarHBondContact O-CA 3.35Å; I51-A54 PolarHBondContact O-N 3.33Å; I51-P57 HydrophobicContact CD1-CB 3.93Å; I51-P57 HydrophobicContact CG1-CB 4.39Å; I51-F82 HydrophobicContact CD1-CD1 4.12Å; I51-F82 HydrophobicContact CD1-CE1 3.58Å; I51-F82 HydrophobicContact CD1-CZ 4.42Å; I51-F82 HydrophobicContact CG1-CE1 4.46Å; I51-L83 HydrophobicContact CD1-CD2 4.13Å; I51-N86 HydrophobicContact CD1-CB 3.91Å; I51-N86 HydrophobicContact CG2-CB 4.33Å
52	Q	86.1	Confident	85.1	Confident	158 Å²	158	66.9 Å²	66.9	74%	0.738	37%	0.372	S	S	*	.	H	α-helix	trans	-61.9	-29.4	174.5	-77.3	179.7	-5.3	0	0	113.3	K48 L50 A54	K48-Q52 WeakPolarHBondContact O-CB 3.44Å; K48-Q52 WeakPolarHBondContact O-CG 3.26Å; K48-Q52 PolarHBondContact O-N 2.98Å; L50-Q52 VanDerWaalsContact C-N 3.31Å; L50-Q52 PolarHBondContact O-N 3.47Å; Q52-A54 PolarHBondContact O-N 3.15Å
53	K	81.8	Confident	84.7	Confident	142 Å²	142	67.6 Å²	67.6	62%	0.617	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	11	173.2	-77.6	-176.2	169.8	-171.5	0	113.8	H49 L50 I51 E55	H49-K53 WeakPolarHBondContact NE2-CE 3.41Å; H49-K53 WeakPolarHBondContact O-CG 3.49Å; H49-K53 PolarHBondContact O-N 3.04Å; H49-K53 VanDerWaalsContact O-N 3.15Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 WeakPolarHBondContact O-CB 3.34Å; L50-K53 PolarHBondContact O-N 2.87Å; I51-K53 PolarHBondContact O-N 3.14Å; K53-E55 VanDerWaalsContact C-N 3.33Å
54	A	74.7	Confident	84.5	Confident	88 Å²	88	64.3 Å²	64.3	73%	0.727	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	31.3	-176.2	0	0	0	0	0	113.8	I51 Q52	I51-A54 WeakPolarHBondContact O-CA 3.35Å; I51-A54 PolarHBondContact O-N 3.33Å; Q52-A54 PolarHBondContact O-N 3.15Å
55	E	76.3	Confident	84.4	Confident	51 Å²	51	64.3 Å²	64.3	24%	0.238	36%	0.356	C	S	.	.			trans	-80.5	135.1	168.8	-160.1	157.7	159.2	0	0	110.6	L50 K53 P57	L50-E55 HydrophobicContact CB-CB 4.4Å; L50-E55 WeakPolarHBondContact CD2-OE2 3.48Å; L50-E55 VanDerWaalsContact O-CB 3.25Å; L50-E55 WeakPolarHBondContact O-CB 3.49Å; L50-E55 PolarHBondContact O-N 3.29Å; K53-E55 VanDerWaalsContact C-N 3.33Å; E55-P57 WeakPolarHBondContact O-CD 3.44Å
56	D	81	Confident	84.5	Confident	106 Å²	106	62.2 Å²	62.2	57%	0.567	33%	0.334	S	S	*	.			trans	-71	120.2	-176.5	-77.2	-64.8	0	0	0	111.1	S58 Q59	D56-S58 PolarHBondContact O-N 3.45Å; D56-S58 VanDerWaalsContact O-N 3.07Å; D56-Q59 HydrophobicContact CB-CB 4.22Å; D56-Q59 WeakPolarHBondContact O-CB 3.48Å; D56-Q59 PolarHBondContact O-N 3.04Å
57	P	79.9	Confident	84.6	Confident	15 Å²	15	57.5 Å²	57.5	10%	0.097	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.4	-179.2	26.5	-33.9	0	0	0	113.6	I51 E55 L83 N86 A88	I51-P57 HydrophobicContact CD1-CB 3.93Å; I51-P57 HydrophobicContact CG1-CB 4.39Å; E55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-L83 HydrophobicContact CB-CD2 3.9Å; P57-N86 WeakPolarHBondContact CG-O 3.49Å; P57-A88 HydrophobicContact CB-CB 4.26Å
58	S	82.9	Confident	84.8	Confident	30 Å²	30	57.6 Å²	57.6	21%	0.21	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	8.9	177.7	70.8	0	0	0	0	113.9	D56 P60 T66	D56-S58 PolarHBondContact O-N 3.45Å; D56-S58 VanDerWaalsContact O-N 3.07Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å; S58-T66 WeakPolarHBondContact O-CG2 3.47Å
59	Q	84	Confident	84.9	Confident	80 Å²	80	53.6 Å²	53.6	37%	0.374	30%	0.299	S	S	.	.			trans	-57.4	126.3	176.7	-164	178.9	-14.8	0	0	109.6	W36 D56	W36-Q59 HydrophobicContact CZ2-CB 4.21Å; W36-Q59 HydrophobicContact CZ2-CG 3.95Å; W36-Q59 WeakPolarHBondContact CZ2-O 3.47Å; W36-Q59 PolarHBondContact NE1-O 3.36Å; D56-Q59 HydrophobicContact CB-CB 4.22Å; D56-Q59 WeakPolarHBondContact O-CB 3.48Å; D56-Q59 PolarHBondContact O-N 3.04Å
60	P	85.4	Confident	85.1	Confident	76 Å²	76	50.6 Å²	50.6	49%	0.494	28%	0.284	S	S	.	.			trans	-88.5	148	175.7	32.9	-32.1	0	0	0	111.6	W36 S58 Y65 T66	W36-P60 WeakPolarHBondContact CH2-O 3.28Å; W36-P60 WeakPolarHBondContact CZ2-O 3.35Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å; P60-Y65 CarbonylContact C-O 3.6Å; P60-Y65 WeakPolarHBondContact CA-O 3.29Å; P60-T66 HydrophobicContact CB-CG2 4.37Å
61	D	84.6	Confident	85.4	Confident	21 Å²	21	49.7 Å²	49.7	11%	0.112	28%	0.279	C	S	.	.			trans	-78.1	-178.6	171.3	79.4	0.7	0	0	0	112.4	W36 A63 G64 Y65 Y70	W36-D61 HydrophobicContact CD2-CB 3.73Å; W36-D61 HydrophobicContact CE3-CB 3.42Å; W36-D61 VanDerWaalsContact CE3-CB 3.42Å; W36-D61 HydrophobicContact CH2-CB 3.63Å; W36-D61 HydrophobicContact CZ2-CB 3.89Å; W36-D61 HydrophobicContact CZ3-CB 3.36Å; D61-A63 PolarHBondContact O-N 3.22Å; D61-A63 VanDerWaalsContact OD1-C 3.25Å; D61-A63 VanDerWaalsContact OD1-CA 3.29Å; D61-A63 WeakPolarHBondContact OD1-CA 3.25Å; D61-A63 PolarHBondContact OD1-N 2.98Å; D61-G64 PolarHBondContact O-N 3.29Å; D61-G64 PolarHBondContact OD1-N 2.91Å; D61-Y65 PolarHBondContact N-O 3.15Å; D61-Y65 PolarHBondContact OD1-N 3.36Å; D61-Y70 WeakPolarHBondContact OD2-CE2 3.24Å; D61-Y70 PolarHBondContact OD2-OH 3.33Å
62	S	84.9	Confident	85.8	Confident	120 Å²	120	48.4 Å²	48.4	84%	0.839	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.6	178.3	54.5	0	0	0	0	114.5	H95	S62-H95 PolarHBondContact O-NE2 3.05Å
63	A	82.1	Confident	86	Confident	39 Å²	39	46.5 Å²	46.5	32%	0.322	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	7.3	174.8	0	0	0	0	0	112.7	D61 Y65 H95	D61-A63 PolarHBondContact O-N 3.22Å; D61-A63 VanDerWaalsContact OD1-C 3.25Å; D61-A63 VanDerWaalsContact OD1-CA 3.29Å; D61-A63 WeakPolarHBondContact OD1-CA 3.25Å; D61-A63 PolarHBondContact OD1-N 2.98Å; A63-Y65 HydrophobicContact CB-CD2 3.71Å; A63-Y65 HydrophobicContact CB-CE2 3.85Å; A63-H95 WeakPolarHBondContact O-CB 3.44Å; A63-H95 PolarHBondContact O-N 3.09Å; A63-H95 PolarHBondContact O-ND1 2.91Å
64	G	85.8	Confident	86.5	Confident	4 Å²	4	43 Å²	43	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	83	7.4	-179.3	0	0	0	0	0	115.1	D61 T94 H95	D61-G64 PolarHBondContact O-N 3.29Å; D61-G64 PolarHBondContact OD1-N 2.91Å; G64-T94 WeakPolarHBondContact O-CA 3.38Å; G64-H95 WeakPolarHBondContact CA-ND1 3.45Å; G64-H95 PolarHBondContact N-ND1 3.04Å
65	Y	88.1	Confident	87.3	Confident	46 Å²	46	40.1 Å²	40.1	18%	0.18	23%	0.225	C	C	.	.			trans	-80.4	131.2	178.8	-68.3	-109.8	0	0	0	110.7	P60 D61 A63 H69 Y70 T94 R103	P60-Y65 CarbonylContact C-O 3.6Å; P60-Y65 WeakPolarHBondContact CA-O 3.29Å; D61-Y65 PolarHBondContact N-O 3.15Å; D61-Y65 PolarHBondContact OD1-N 3.36Å; A63-Y65 HydrophobicContact CB-CD2 3.71Å; A63-Y65 HydrophobicContact CB-CE2 3.85Å; Y65-H69 HydrophobicContact CD1-CB 3.76Å; Y65-H69 HydrophobicContact CG-CB 4.45Å; Y65-Y70 HydrophobicContact CG-CE2 4.22Å; Y65-T94 HydrophobicContact CD1-CG2 3.76Å; Y65-T94 HydrophobicContact CD2-CG2 3.8Å; Y65-T94 HydrophobicContact CE1-CG2 3.84Å; Y65-T94 HydrophobicContact CE2-CG2 3.86Å; Y65-T94 HydrophobicContact CG-CG2 3.72Å; Y65-R103 PolarHBondContact OH-NH2 3.42Å
66	T	90.6	Very high	88.1	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.031	23%	0.226	C	C	.	.			trans	-95.6	169.3	172.1	67.9	0	0	0	0	110.9	S58 P60 L68 H69 Y70 A92	S58-T66 WeakPolarHBondContact O-CG2 3.47Å; P60-T66 HydrophobicContact CB-CG2 4.37Å; T66-L68 PolarHBondContact O-N 2.94Å; T66-L68 VanDerWaalsContact O-N 3.15Å; T66-H69 PolarHBondContact N-ND1 2.77Å; T66-H69 VanDerWaalsContact N-ND1 3.17Å; T66-H69 WeakPolarHBondContact O-CB 3.49Å; T66-H69 PolarHBondContact O-N 3.44Å; T66-H69 PolarHBondContact OG1-ND1 3.1Å; T66-Y70 WeakPolarHBondContact O-CD2 3.38Å; T66-Y70 PolarHBondContact O-N 3.2Å; T66-A92 HydrophobicContact CG2-CB 3.86Å
67	A	90.6	Very high	88.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-55.5	-36.3	176.9	0	0	0	0	0	111.6	I35 A39 H69 Y70 A71 L83	I35-A67 HydrophobicContact CG1-CB 4.15Å; I35-A67 HydrophobicContact CG2-CB 4.24Å; A39-A67 HydrophobicContact CB-CB 3.77Å; A39-A67 WeakPolarHBondContact CB-O 3.46Å; A67-H69 VanDerWaalsContact C-N 3.33Å; A67-H69 PolarHBondContact O-N 3.39Å; A67-Y70 PolarHBondContact O-N 3.18Å; A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 3.28Å; A67-L83 HydrophobicContact CB-CD1 3.66Å; A67-L83 HydrophobicContact CB-CD2 3.99Å
68	L	92.4	Very high	89.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-35.3	177.8	-169.8	66.3	0	0	0	112.4	T66 S72 C80 L83 L84 C90 A100 L116	T66-L68 PolarHBondContact O-N 2.94Å; T66-L68 VanDerWaalsContact O-N 3.15Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.07Å; L68-S72 PolarHBondContact O-OG 3.01Å; L68-C80 HydrophobicContact CD1-CB 3.98Å; L68-L83 HydrophobicContact CB-CD1 4.37Å; L68-L83 HydrophobicContact CD1-CB 4.36Å; L68-L83 HydrophobicContact CD1-CD1 4.47Å; L68-L84 HydrophobicContact CD1-CD2 4.28Å; L68-L84 HydrophobicContact CD1-CG 4.13Å; L68-L84 HydrophobicContact CD2-CD2 3.74Å; L68-L84 HydrophobicContact CD2-CG 4.49Å; L68-C90 HydrophobicContact CD2-CB 4.48Å; L68-A100 HydrophobicContact CD2-CB 3.92Å; L68-A100 HydrophobicContact CG-CB 3.81Å; L68-L116 HydrophobicContact CD1-CD2 4.26Å; L68-L116 HydrophobicContact CD2-CD2 3.82Å; L68-L116 HydrophobicContact CG-CD2 4.22Å
69	H	91.9	Very high	89.9	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-43.7	175.7	-70	89.2	0	0	0	111.7	Y65 T66 A67 S72 R73 A92 A98 T99 A100	Y65-H69 HydrophobicContact CD1-CB 3.76Å; Y65-H69 HydrophobicContact CG-CB 4.45Å; T66-H69 PolarHBondContact N-ND1 2.77Å; T66-H69 VanDerWaalsContact N-ND1 3.17Å; T66-H69 WeakPolarHBondContact O-CB 3.49Å; T66-H69 PolarHBondContact O-N 3.44Å; T66-H69 PolarHBondContact OG1-ND1 3.1Å; A67-H69 VanDerWaalsContact C-N 3.33Å; A67-H69 PolarHBondContact O-N 3.39Å; H69-S72 PolarHBondContact O-N 3.21Å; H69-R73 WeakPolarHBondContact O-CB 3.14Å; H69-R73 PolarHBondContact O-N 3.34Å; H69-A92 PolarHBondContact CE1-O 3.34Å; H69-A92 PolarHBondContact NE2-O 3.23Å; H69-A98 PolarHBondContact NE2-O 3Å; H69-T99 VanDerWaalsContact CD2-C 3.44Å; H69-T99 VanDerWaalsContact NE2-C 3.29Å; H69-T99 WeakPolarHBondContact NE2-CA 3.48Å; H69-A100 PolarHBondContact CD2-N 3.19Å; H69-A100 PolarHBondContact NE2-N 3.31Å
70	Y	91.4	Very high	90.3	Very high	34 Å²	34	36.7 Å²	36.7	13%	0.133	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-46.1	179.4	-74.3	-71.1	0	0	0	112	W36 L40 D61 Y65 T66 A67 S72 R73 N74	W36-Y70 HydrophobicContact CB-CD2 3.66Å; W36-Y70 HydrophobicContact CB-CE2 3.78Å; W36-Y70 HydrophobicContact CG-CD2 4.14Å; W36-Y70 HydrophobicContact CG-CE2 4.09Å; L40-Y70 HydrophobicContact CB-CD1 4.48Å; L40-Y70 HydrophobicContact CD1-CD1 3.71Å; L40-Y70 HydrophobicContact CD1-CE1 4.45Å; L40-Y70 HydrophobicContact CD1-CG 4.5Å; D61-Y70 WeakPolarHBondContact OD2-CE2 3.24Å; D61-Y70 PolarHBondContact OD2-OH 3.33Å; Y65-Y70 HydrophobicContact CG-CE2 4.22Å; T66-Y70 WeakPolarHBondContact O-CD2 3.38Å; T66-Y70 PolarHBondContact O-N 3.2Å; A67-Y70 PolarHBondContact O-N 3.18Å; Y70-S72 VanDerWaalsContact C-N 3.33Å; Y70-S72 PolarHBondContact O-N 3.42Å; Y70-R73 PolarHBondContact O-N 2.69Å; Y70-N74 PolarHBondContact O-N 3.3Å; Y70-N74 VanDerWaalsContact O-N 3.1Å
71	A	92.9	Very high	90.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.9	0	0	0	0	0	111.7	A39 A67 R73 N74 G75 H76 V79 C80	A39-A71 HydrophobicContact CB-CB 4.28Å; A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 3.28Å; A71-R73 PolarHBondContact O-N 3.1Å; A71-N74 PolarHBondContact O-N 3.45Å; A71-G75 PolarHBondContact O-N 2.78Å; A71-H76 HydrophobicContact CB-CB 4.23Å; A71-H76 PolarHBondContact O-N 3.07Å; A71-V79 HydrophobicContact CB-CB 4.09Å; A71-V79 HydrophobicContact CB-CG1 3.79Å; A71-C80 VanDerWaalsContact C-SG 3.56Å; A71-C80 WeakPolarHBondContact CB-SG 3.49Å
72	S	93.4	Very high	91.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.2	-32.5	178.6	-61.1	0	0	0	0	113.2	L68 H69 Y70 C80 H109	L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.07Å; L68-S72 PolarHBondContact O-OG 3.01Å; H69-S72 PolarHBondContact O-N 3.21Å; Y70-S72 VanDerWaalsContact C-N 3.33Å; Y70-S72 PolarHBondContact O-N 3.42Å; S72-C80 PolarHBondContact N-SG 3.15Å; S72-H109 PolarHBondContact O-CD2 3.36Å
73	R	91.8	Very high	91.3	Very high	118 Å²	118	31.1 Å²	31.1	45%	0.445	16%	0.159	S	C	.	.	H	α-helix	trans	-68.5	-41.3	174.8	-178.7	-177.8	176.9	-173.5	-2.7	111.6	H69 Y70 A71 R103 C107 H109	H69-R73 WeakPolarHBondContact O-CB 3.14Å; H69-R73 PolarHBondContact O-N 3.34Å; Y70-R73 PolarHBondContact O-N 2.69Å; A71-R73 PolarHBondContact O-N 3.1Å; R73-R103 HydrophobicContact CB-CB 4.29Å; R73-C107 PolarHBondContact O-SG 3.25Å; R73-H109 PolarHBondContact O-NE2 2.84Å; R73-H109 VanDerWaalsContact O-NE2 3.07Å
74	N	91.1	Very high	91.7	Very high	69 Å²	69	30 Å²	30	37%	0.369	15%	0.148	S	C	.	.	H	α-helix	trans	-90.6	-5	-174.8	-79.7	6.7	0	0	0	114.5	L40 Y70 A71	L40-N74 WeakPolarHBondContact CD1-ND2 3.47Å; L40-N74 PolarHBondContact O-ND2 3.24Å; Y70-N74 PolarHBondContact O-N 3.3Å; Y70-N74 VanDerWaalsContact O-N 3.1Å; A71-N74 PolarHBondContact O-N 3.45Å
75	G	92	Very high	92	Very high	26 Å²	26	35.4 Å²	35.4	27%	0.268	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	18.2	176.8	0	0	0	0	0	113.9	A71 Y77 H109 I112	A71-G75 PolarHBondContact O-N 2.78Å; G75-Y77 VanDerWaalsContact C-N 3.34Å; G75-Y77 PolarHBondContact O-N 3.42Å; G75-H109 WeakPolarHBondContact CA-NE2 3.37Å; G75-H109 PolarHBondContact N-NE2 3.17Å; G75-I112 VanDerWaalsContact C-CD1 3.42Å; G75-I112 VanDerWaalsContact CA-CD1 3.42Å
76	H	94.4	Very high	92	Very high	54 Å²	54	36.4 Å²	36.4	25%	0.25	18%	0.18	C	C	.	.			trans	-82.8	74.8	-176.3	-63.9	-50.3	0	0	0	112.3	A39 L40 G42 A71 A78 V79 C80	A39-H76 PolarHBondContact O-CD2 3.32Å; A39-H76 VanDerWaalsContact O-CD2 3.22Å; L40-H76 PolarHBondContact O-CD2 3.4Å; L40-H76 VanDerWaalsContact O-CD2 3.29Å; L40-H76 PolarHBondContact O-NE2 3.05Å; G42-H76 VanDerWaalsContact CA-CD2 3.44Å; G42-H76 WeakPolarHBondContact CA-CD2 3.34Å; G42-H76 VanDerWaalsContact CA-CG 3.42Å; G42-H76 PolarHBondContact N-CD2 3.09Å; G42-H76 VanDerWaalsContact N-CD2 3.33Å; G42-H76 PolarHBondContact N-NE2 3.27Å; A71-H76 HydrophobicContact CB-CB 4.23Å; A71-H76 PolarHBondContact O-N 3.07Å; H76-A78 VanDerWaalsContact C-N 3.35Å; H76-A78 PolarHBondContact O-N 3.47Å; H76-V79 HydrophobicContact CB-CB 4.08Å; H76-V79 HydrophobicContact CB-CG2 4.2Å; H76-V79 PolarHBondContact O-N 2.94Å; H76-V79 VanDerWaalsContact O-N 3.09Å; H76-C80 PolarHBondContact O-N 3.03Å
77	Y	93.1	Very high	91.6	Very high	104 Å²	104	38.8 Å²	38.8	41%	0.408	21%	0.206	S	C	.	.	H	α-helix	trans	-49.4	-50.4	-177.9	176.9	-90.2	0	0	0	113.3	G75 V79 C80 Q81 E111 L115	G75-Y77 VanDerWaalsContact C-N 3.34Å; G75-Y77 PolarHBondContact O-N 3.42Å; Y77-V79 VanDerWaalsContact C-N 3.26Å; Y77-V79 PolarHBondContact O-N 2.69Å; Y77-C80 WeakPolarHBondContact O-CB 3.45Å; Y77-C80 PolarHBondContact O-N 3.05Å; Y77-C80 VanDerWaalsContact O-N 3.14Å; Y77-Q81 HydrophobicContact CE1-CB 4.47Å; Y77-Q81 WeakPolarHBondContact O-CB 3.27Å; Y77-Q81 PolarHBondContact O-N 3.49Å; Y77-E111 HydrophobicContact CD2-CB 4.12Å; Y77-E111 HydrophobicContact CE2-CB 4.48Å; Y77-L115 HydrophobicContact CD2-CD1 4.23Å; Y77-L115 HydrophobicContact CE1-CD1 4.47Å; Y77-L115 HydrophobicContact CE2-CB 4.1Å; Y77-L115 HydrophobicContact CE2-CD1 3.48Å; Y77-L115 VanDerWaalsContact CE2-CD1 3.48Å; Y77-L115 HydrophobicContact CE2-CG 4.36Å
78	A	93.8	Very high	91.4	Very high	51 Å²	51	39.3 Å²	39.3	42%	0.421	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-34.3	-177.1	0	0	0	0	0	112.7	L44 H76 F82	L44-A78 HydrophobicContact CD2-CB 4.41Å; H76-A78 VanDerWaalsContact C-N 3.35Å; H76-A78 PolarHBondContact O-N 3.47Å; A78-F82 WeakPolarHBondContact O-CB 3.47Å; A78-F82 PolarHBondContact O-N 3.41Å; A78-F82 VanDerWaalsContact O-N 3.15Å
79	V	92.9	Very high	91.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.012	24%	0.239	C	C	.	.	H	α-helix	trans	-73.3	-44.5	175.2	176.2	0	0	0	0	110.6	A39 L44 V47 A71 H76 Y77 Q81 F82 L83	A39-V79 HydrophobicContact CB-CG1 3.96Å; L44-V79 HydrophobicContact CB-CG2 4.28Å; L44-V79 HydrophobicContact CD1-CG2 4.45Å; V47-V79 HydrophobicContact CG2-CG1 4.02Å; A71-V79 HydrophobicContact CB-CB 4.09Å; A71-V79 HydrophobicContact CB-CG1 3.79Å; H76-V79 HydrophobicContact CB-CB 4.08Å; H76-V79 HydrophobicContact CB-CG2 4.2Å; H76-V79 PolarHBondContact O-N 2.94Å; H76-V79 VanDerWaalsContact O-N 3.09Å; Y77-V79 VanDerWaalsContact C-N 3.26Å; Y77-V79 PolarHBondContact O-N 2.69Å; V79-Q81 VanDerWaalsContact C-N 3.34Å; V79-Q81 PolarHBondContact O-N 3.28Å; V79-F82 PolarHBondContact O-N 3.47Å; V79-L83 HydrophobicContact CG1-CD1 3.73Å; V79-L83 HydrophobicContact CG1-CG 4.19Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 VanDerWaalsContact O-CG 3.26Å; V79-L83 WeakPolarHBondContact O-CG 3.48Å; V79-L83 PolarHBondContact O-N 3.49Å
80	C	92.9	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57	-48.2	176	-70.7	0	0	0	0	111.7	L68 A71 S72 H76 Y77 L83 L84 I112 L115	L68-C80 HydrophobicContact CD1-CB 3.98Å; A71-C80 VanDerWaalsContact C-SG 3.56Å; A71-C80 WeakPolarHBondContact CB-SG 3.49Å; S72-C80 PolarHBondContact N-SG 3.15Å; H76-C80 PolarHBondContact O-N 3.03Å; Y77-C80 WeakPolarHBondContact O-CB 3.45Å; Y77-C80 PolarHBondContact O-N 3.05Å; Y77-C80 VanDerWaalsContact O-N 3.14Å; C80-L83 PolarHBondContact O-N 2.9Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 2.95Å; C80-I112 HydrophobicContact CB-CG2 4.43Å; C80-L115 HydrophobicContact CB-CD2 3.76Å
81	Q	93.6	Very high	90.5	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.304	26%	0.256	S	S	.	.	H	α-helix	trans	-57.7	-51.9	177.8	-176.9	178.6	6.7	0	0	110.9	Y77 V79 L83 L84 E85 L115	Y77-Q81 HydrophobicContact CE1-CB 4.47Å; Y77-Q81 WeakPolarHBondContact O-CB 3.27Å; Y77-Q81 PolarHBondContact O-N 3.49Å; V79-Q81 VanDerWaalsContact C-N 3.34Å; V79-Q81 PolarHBondContact O-N 3.28Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 2.97Å; Q81-L84 PolarHBondContact O-N 3.42Å; Q81-E85 HydrophobicContact CG-CG 4.44Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.25Å; Q81-E85 PolarHBondContact NE2-OE1 3.01Å; Q81-E85 WeakPolarHBondContact O-CG 3.47Å; Q81-E85 PolarHBondContact O-N 3.25Å; Q81-L115 HydrophobicContact CB-CD1 3.72Å; Q81-L115 HydrophobicContact CG-CD1 4.02Å
82	F	92.6	Very high	90.2	Very high	35 Å²	35	49.2 Å²	49.2	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-40.6	-178.7	-176.9	-104	0	0	0	112.4	L44 V47 K48 I51 A78 V79 E85 N86	L44-F82 HydrophobicContact CD1-CB 3.63Å; L44-F82 HydrophobicContact CD1-CD1 3.96Å; L44-F82 HydrophobicContact CD1-CD2 4.48Å; L44-F82 HydrophobicContact CD1-CG 3.76Å; V47-F82 HydrophobicContact CG1-CD1 3.88Å; V47-F82 HydrophobicContact CG1-CE1 4.14Å; K48-F82 HydrophobicContact CB-CE1 4.2Å; K48-F82 HydrophobicContact CB-CZ 4.17Å; K48-F82 HydrophobicContact CD-CE2 4.37Å; K48-F82 HydrophobicContact CD-CZ 4.37Å; K48-F82 HydrophobicContact CG-CD1 4.09Å; K48-F82 HydrophobicContact CG-CD2 4.32Å; K48-F82 HydrophobicContact CG-CE1 3.46Å; K48-F82 VanDerWaalsContact CG-CE1 3.46Å; K48-F82 HydrophobicContact CG-CE2 3.75Å; K48-F82 HydrophobicContact CG-CG 4.48Å; K48-F82 HydrophobicContact CG-CZ 3.32Å; I51-F82 HydrophobicContact CD1-CD1 4.12Å; I51-F82 HydrophobicContact CD1-CE1 3.58Å; I51-F82 HydrophobicContact CD1-CZ 4.42Å; I51-F82 HydrophobicContact CG1-CE1 4.46Å; A78-F82 WeakPolarHBondContact O-CB 3.47Å; A78-F82 PolarHBondContact O-N 3.41Å; A78-F82 VanDerWaalsContact O-N 3.15Å; V79-F82 PolarHBondContact O-N 3.47Å; F82-E85 PolarHBondContact O-N 2.9Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.43Å; F82-N86 WeakPolarHBondContact CZ-ND2 3.36Å; F82-N86 PolarHBondContact O-N 3.41Å; F82-N86 VanDerWaalsContact O-N 3.1Å; F82-N86 PolarHBondContact O-ND2 3.28Å
83	L	90.8	Very high	90.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.9	-44.6	176.2	-73.5	169.3	0	0	0	111.6	I35 V47 I51 P57 A67 L68 V79 C80 Q81 N86 G87 A88	I35-L83 HydrophobicContact CD1-CD2 4.22Å; V47-L83 HydrophobicContact CG1-CD2 3.9Å; V47-L83 HydrophobicContact CG1-CG 4.34Å; I51-L83 HydrophobicContact CD1-CD2 4.13Å; P57-L83 HydrophobicContact CB-CD2 3.9Å; A67-L83 HydrophobicContact CB-CD1 3.66Å; A67-L83 HydrophobicContact CB-CD2 3.99Å; L68-L83 HydrophobicContact CB-CD1 4.37Å; L68-L83 HydrophobicContact CD1-CB 4.36Å; L68-L83 HydrophobicContact CD1-CD1 4.47Å; V79-L83 HydrophobicContact CG1-CD1 3.73Å; V79-L83 HydrophobicContact CG1-CG 4.19Å; V79-L83 WeakPolarHBondContact O-CB 3.49Å; V79-L83 VanDerWaalsContact O-CG 3.26Å; V79-L83 WeakPolarHBondContact O-CG 3.48Å; V79-L83 PolarHBondContact O-N 3.49Å; C80-L83 PolarHBondContact O-N 2.9Å; Q81-L83 VanDerWaalsContact C-N 3.32Å; Q81-L83 PolarHBondContact O-N 2.97Å; L83-N86 CarbonylContact O-C 3.58Å; L83-N86 PolarHBondContact O-N 3.49Å; L83-G87 PolarHBondContact O-N 3.35Å; L83-A88 VanDerWaalsContact C-CB 3.48Å; L83-A88 HydrophobicContact CB-CB 3.87Å; L83-A88 WeakPolarHBondContact O-CB 3.06Å; L83-A88 PolarHBondContact O-N 3.02Å
84	L	90.6	Very high	90	Very high	14 Å²	14	49.1 Å²	49.1	7%	0.073	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-40.5	178.6	-68.7	175.5	0	0	0	112.4	L68 C80 Q81 N86 G87 C90 L115 L116 H119	L68-L84 HydrophobicContact CD1-CD2 4.28Å; L68-L84 HydrophobicContact CD1-CG 4.13Å; L68-L84 HydrophobicContact CD2-CD2 3.74Å; L68-L84 HydrophobicContact CD2-CG 4.49Å; C80-L84 WeakPolarHBondContact O-CG 3.3Å; C80-L84 PolarHBondContact O-N 2.95Å; Q81-L84 PolarHBondContact O-N 3.42Å; L84-N86 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 3.23Å; L84-G87 VanDerWaalsContact O-N 3.09Å; L84-C90 HydrophobicContact CD2-CB 3.88Å; L84-L115 HydrophobicContact CD1-CD2 3.32Å; L84-L115 HydrophobicContact CD1-CG 4Å; L84-L115 HydrophobicContact CG-CD2 4.48Å; L84-L116 HydrophobicContact CD1-CD2 4.12Å; L84-L116 HydrophobicContact CD2-CD2 4.48Å; L84-H119 HydrophobicContact CD1-CB 3.9Å; L84-H119 HydrophobicContact CD2-CB 4.44Å
85	E	90.5	Very high	89.9	Confident	118 Å²	118	52.3 Å²	52.3	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-62.1	-29	174.6	-72.9	173	-178.5	0	0	112.4	Q81 F82 G87	Q81-E85 HydrophobicContact CG-CG 4.44Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.25Å; Q81-E85 PolarHBondContact NE2-OE1 3.01Å; Q81-E85 WeakPolarHBondContact O-CG 3.47Å; Q81-E85 PolarHBondContact O-N 3.25Å; F82-E85 PolarHBondContact O-N 2.9Å; E85-G87 VanDerWaalsContact C-N 3.33Å
86	N	88.1	Confident	89.6	Confident	67 Å²	67	52.6 Å²	52.6	36%	0.358	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	17.3	176.5	-72.5	-93.3	0	0	0	113.2	I51 P57 F82 L83 L84	I51-N86 HydrophobicContact CD1-CB 3.91Å; I51-N86 HydrophobicContact CG2-CB 4.33Å; P57-N86 WeakPolarHBondContact CG-O 3.49Å; F82-N86 WeakPolarHBondContact CE2-ND2 3.43Å; F82-N86 WeakPolarHBondContact CZ-ND2 3.36Å; F82-N86 PolarHBondContact O-N 3.41Å; F82-N86 VanDerWaalsContact O-N 3.1Å; F82-N86 PolarHBondContact O-ND2 3.28Å; L83-N86 CarbonylContact O-C 3.58Å; L83-N86 PolarHBondContact O-N 3.49Å; L84-N86 PolarHBondContact O-N 2.88Å
87	G	83.3	Confident	89.3	Confident	56 Å²	56	50.4 Å²	50.4	58%	0.577	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	20.6	172.3	0	0	0	0	0	115.2	L83 L84 E85 K89	L83-G87 PolarHBondContact O-N 3.35Å; L84-G87 PolarHBondContact O-N 3.23Å; L84-G87 VanDerWaalsContact O-N 3.09Å; E85-G87 VanDerWaalsContact C-N 3.33Å; G87-K89 PolarHBondContact O-N 3.46Å
88	A	86.6	Confident	89.2	Confident	10 Å²	10	45.8 Å²	45.8	8%	0.083	26%	0.258	C	S	.	.			trans	-60.7	134.9	169.5	0	0	0	0	0	111	P57 L83 C90	P57-A88 HydrophobicContact CB-CB 4.26Å; L83-A88 VanDerWaalsContact C-CB 3.48Å; L83-A88 HydrophobicContact CB-CB 3.87Å; L83-A88 WeakPolarHBondContact O-CB 3.06Å; L83-A88 PolarHBondContact O-N 3.02Å; A88-C90 PolarHBondContact O-N 2.78Å
89	K	86.1	Confident	89.1	Confident	139 Å²	139	43.4 Å²	43.4	60%	0.604	24%	0.239	S	C	*	.			trans	-71.5	112.4	176.6	-66.7	177.6	-179	173.2	0	110.1	G87 D91 A92	G87-K89 PolarHBondContact O-N 3.46Å; K89-D91 VanDerWaalsContact C-N 3.34Å; K89-A92 HydrophobicContact CB-CB 4.16Å; K89-A92 WeakPolarHBondContact O-CB 3.43Å; K89-A92 PolarHBondContact O-N 3.49Å
90	C	85.7	Confident	89.1	Confident	19 Å²	19	43.3 Å²	43.3	13%	0.128	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-33	176.2	55.2	0	0	0	0	113	L68 L84 A88 A92 L116	L68-C90 HydrophobicContact CD2-CB 4.48Å; L84-C90 HydrophobicContact CD2-CB 3.88Å; A88-C90 PolarHBondContact O-N 2.78Å; C90-A92 VanDerWaalsContact C-N 3.32Å; C90-A92 PolarHBondContact O-N 3.42Å; C90-L116 HydrophobicContact CB-CD2 4.39Å
91	D	84.4	Confident	89.1	Confident	68 Å²	68	43.3 Å²	43.3	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	16.3	178.6	-66.4	-25.8	0	0	0	113.5	K89 Q93 S121 N122	K89-D91 VanDerWaalsContact C-N 3.34Å; D91-Q93 PolarHBondContact O-N 3.05Å; D91-S121 VanDerWaalsContact OD1-CA 3.31Å; D91-S121 WeakPolarHBondContact OD1-CA 3.29Å; D91-S121 PolarHBondContact OD1-OG 2.94Å; D91-N122 PolarHBondContact OD1-N 3.41Å
92	A	87.4	Confident	89.1	Confident	18 Å²	18	40.4 Å²	40.4	15%	0.149	23%	0.225	C	C	.	.			trans	-58.2	132.8	170.6	0	0	0	0	0	109.7	T66 H69 K89 C90	T66-A92 HydrophobicContact CG2-CB 3.86Å; H69-A92 PolarHBondContact CE1-O 3.34Å; H69-A92 PolarHBondContact NE2-O 3.23Å; K89-A92 HydrophobicContact CB-CB 4.16Å; K89-A92 WeakPolarHBondContact O-CB 3.43Å; K89-A92 PolarHBondContact O-N 3.49Å; C90-A92 VanDerWaalsContact C-N 3.32Å; C90-A92 PolarHBondContact O-N 3.42Å
93	Q	89.7	Confident	89.1	Confident	107 Å²	107	41.4 Å²	41.4	50%	0.5	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-107.4	137	177.5	-68.2	-176.6	-61.3	0	0	110	D91 G97 A98 T99 V125	D91-Q93 PolarHBondContact O-N 3.05Å; Q93-G97 PolarHBondContact NE2-O 2.86Å; Q93-G97 VanDerWaalsContact NE2-O 3.12Å; Q93-A98 WeakPolarHBondContact CA-O 3.41Å; Q93-T99 HydrophobicContact CG-CG2 3.9Å; Q93-V125 HydrophobicContact CG-CG1 4.39Å
94	T	90.5	Very high	89.2	Confident	9 Å²	9	41.4 Å²	41.4	6%	0.055	23%	0.227	C	C	.	.			trans	-69.6	172.1	166.7	63.1	0	0	0	0	111.2	G64 Y65 G96 G97 A98	G64-T94 WeakPolarHBondContact O-CA 3.38Å; Y65-T94 HydrophobicContact CD1-CG2 3.76Å; Y65-T94 HydrophobicContact CD2-CG2 3.8Å; Y65-T94 HydrophobicContact CE1-CG2 3.84Å; Y65-T94 HydrophobicContact CE2-CG2 3.86Å; Y65-T94 HydrophobicContact CG-CG2 3.72Å; T94-G96 PolarHBondContact O-N 3.37Å; T94-G96 VanDerWaalsContact O-N 3.09Å; T94-G96 PolarHBondContact OG1-N 3.41Å; T94-G97 PolarHBondContact O-N 2.84Å; T94-A98 WeakPolarHBondContact CG2-O 3.37Å; T94-A98 PolarHBondContact N-O 3.04Å; T94-A98 PolarHBondContact OG1-N 3.23Å; T94-A98 PolarHBondContact OG1-O 2.99Å
95	H	88.4	Confident	89.3	Confident	137 Å²	137	40.8 Å²	40.8	63%	0.634	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.1	174	-69.7	15.4	0	0	0	113.3	S62 A63 G64 G97	S62-H95 PolarHBondContact O-NE2 3.05Å; A63-H95 WeakPolarHBondContact O-CB 3.44Å; A63-H95 PolarHBondContact O-N 3.09Å; A63-H95 PolarHBondContact O-ND1 2.91Å; G64-H95 WeakPolarHBondContact CA-ND1 3.45Å; G64-H95 PolarHBondContact N-ND1 3.04Å; H95-G97 VanDerWaalsContact C-N 3.34Å
96	G	85.8	Confident	89.3	Confident	31 Å²	31	39 Å²	39	32%	0.32	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	14.7	174	0	0	0	0	0	114.7	T94 A98 D128	T94-G96 PolarHBondContact O-N 3.37Å; T94-G96 VanDerWaalsContact O-N 3.09Å; T94-G96 PolarHBondContact OG1-N 3.41Å; G96-A98 PolarHBondContact O-N 2.92Å; G96-D128 VanDerWaalsContact C-OD1 3.29Å; G96-D128 WeakPolarHBondContact CA-OD2 3.33Å; G96-D128 PolarHBondContact O-N 3.41Å
97	G	88.8	Confident	89.5	Confident	8 Å²	8	37.8 Å²	37.8	8%	0.082	21%	0.209	C	C	.	.	S	Bend	trans	72.5	-7.9	-178.9	0	0	0	0	0	115.5	Q93 T94 H95	Q93-G97 PolarHBondContact NE2-O 2.86Å; Q93-G97 VanDerWaalsContact NE2-O 3.12Å; T94-G97 PolarHBondContact O-N 2.84Å; H95-G97 VanDerWaalsContact C-N 3.34Å
98	A	90.6	Very high	89.8	Confident	7 Å²	7	36.2 Å²	36.2	6%	0.058	19%	0.193	C	C	.	.			trans	-70.8	140	-179.3	0	0	0	0	0	111.6	H69 Q93 T94 G96 H102 D127	H69-A98 PolarHBondContact NE2-O 3Å; Q93-A98 WeakPolarHBondContact CA-O 3.41Å; T94-A98 WeakPolarHBondContact CG2-O 3.37Å; T94-A98 PolarHBondContact N-O 3.04Å; T94-A98 PolarHBondContact OG1-N 3.23Å; T94-A98 PolarHBondContact OG1-O 2.99Å; G96-A98 PolarHBondContact O-N 2.92Å; A98-H102 HydrophobicContact CB-CB 4.18Å; A98-D127 HydrophobicContact CB-CB 4.38Å
99	T	92.6	Very high	90.2	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-101.9	172	174.9	65.3	0	0	0	0	112	H69 Q93 L101 H102 R103 V125	H69-T99 VanDerWaalsContact CD2-C 3.44Å; H69-T99 VanDerWaalsContact NE2-C 3.29Å; H69-T99 WeakPolarHBondContact NE2-CA 3.48Å; Q93-T99 HydrophobicContact CG-CG2 3.9Å; T99-L101 PolarHBondContact O-N 3.35Å; T99-L101 PolarHBondContact OG1-N 3.44Å; T99-H102 PolarHBondContact N-ND1 2.98Å; T99-H102 VanDerWaalsContact N-ND1 3.17Å; T99-H102 WeakPolarHBondContact O-CB 3.33Å; T99-H102 PolarHBondContact O-N 3.08Å; T99-H102 VanDerWaalsContact O-N 3.07Å; T99-H102 PolarHBondContact OG1-ND1 3.49Å; T99-R103 PolarHBondContact O-N 3.31Å; T99-V125 HydrophobicContact CG2-CB 4.12Å; T99-V125 HydrophobicContact CG2-CG1 3.64Å; T99-V125 HydrophobicContact CG2-CG2 4.5Å
100	A	92.3	Very high	90.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-54.8	-37.6	172.4	0	0	0	0	0	112.2	L68 H69 H102 R103 A104 L116	L68-A100 HydrophobicContact CD2-CB 3.92Å; L68-A100 HydrophobicContact CG-CB 3.81Å; H69-A100 PolarHBondContact CD2-N 3.19Å; H69-A100 PolarHBondContact NE2-N 3.31Å; A100-H102 PolarHBondContact O-N 3.26Å; A100-R103 PolarHBondContact O-N 3.02Å; A100-R103 VanDerWaalsContact O-N 3.15Å; A100-A104 PolarHBondContact O-N 3.42Å; A100-L116 HydrophobicContact CB-CD1 3.99Å; A100-L116 HydrophobicContact CB-CD2 4.09Å
101	L	93.4	Very high	90.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-35.8	177.8	-172.2	65.5	0	0	0	112.4	T99 R103 A104 S105 A113 L116 L117 P123 L149	T99-L101 PolarHBondContact O-N 3.35Å; T99-L101 PolarHBondContact OG1-N 3.44Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.57Å; L101-A104 PolarHBondContact O-N 3.4Å; L101-S105 WeakPolarHBondContact O-CB 3.49Å; L101-S105 PolarHBondContact O-N 3.03Å; L101-S105 PolarHBondContact O-OG 3.49Å; L101-A113 HydrophobicContact CD1-CB 3.82Å; L101-L116 HydrophobicContact CB-CD1 4.13Å; L101-L116 HydrophobicContact CD1-CB 4.2Å; L101-L116 HydrophobicContact CD1-CD1 4.15Å; L101-L117 HydrophobicContact CD1-CG 4.44Å; L101-L117 HydrophobicContact CD2-CD2 4.03Å; L101-P123 HydrophobicContact CD2-CB 3.72Å; L101-L149 HydrophobicContact CD2-CD2 4.05Å
102	H	92.8	Very high	91.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-40.8	172.4	-70.8	86.1	0	0	0	111.2	A98 T99 A100 S105 Y106 V125 M131 S133	A98-H102 HydrophobicContact CB-CB 4.18Å; T99-H102 PolarHBondContact N-ND1 2.98Å; T99-H102 VanDerWaalsContact N-ND1 3.17Å; T99-H102 WeakPolarHBondContact O-CB 3.33Å; T99-H102 PolarHBondContact O-N 3.08Å; T99-H102 VanDerWaalsContact O-N 3.07Å; T99-H102 PolarHBondContact OG1-ND1 3.49Å; A100-H102 PolarHBondContact O-N 3.26Å; H102-S105 PolarHBondContact O-N 3.43Å; H102-Y106 VanDerWaalsContact O-CB 3.27Å; H102-Y106 WeakPolarHBondContact O-CB 3.2Å; H102-Y106 PolarHBondContact O-N 3.37Å; H102-V125 PolarHBondContact CE1-O 3.04Å; H102-V125 PolarHBondContact NE2-O 2.84Å; H102-M131 PolarHBondContact NE2-O 2.94Å; H102-M131 VanDerWaalsContact NE2-O 3.1Å; H102-S133 PolarHBondContact CD2-N 3.43Å; H102-S133 PolarHBondContact NE2-N 2.88Å
103	R	92.4	Very high	91.6	Very high	57 Å²	57	33.5 Å²	33.5	22%	0.215	18%	0.175	C	C	.	.	H	α-helix	trans	-69	-46	179	-66.4	-67	173.8	-162.7	-5.4	112.2	Y65 R73 T99 A100 L101 S105 Y106 C107	Y65-R103 PolarHBondContact OH-NH2 3.42Å; R73-R103 HydrophobicContact CB-CB 4.29Å; T99-R103 PolarHBondContact O-N 3.31Å; A100-R103 PolarHBondContact O-N 3.02Å; A100-R103 VanDerWaalsContact O-N 3.15Å; L101-R103 VanDerWaalsContact C-N 3.29Å; L101-R103 PolarHBondContact O-N 2.57Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 3.11Å; R103-Y106 PolarHBondContact O-N 2.93Å; R103-C107 WeakPolarHBondContact O-CB 3.39Å; R103-C107 PolarHBondContact O-N 3.49Å; R103-C107 PolarHBondContact O-SG 2.94Å
104	A	93.5	Very high	91.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-44.6	173.8	0	0	0	0	0	111.3	A100 L101 Y106 C107 G108 H109 I112 L116	A100-A104 PolarHBondContact O-N 3.42Å; L101-A104 PolarHBondContact O-N 3.4Å; A104-Y106 PolarHBondContact O-N 3.43Å; A104-C107 PolarHBondContact O-N 2.89Å; A104-G108 PolarHBondContact O-N 3.5Å; A104-H109 PolarHBondContact O-N 3.15Å; A104-I112 HydrophobicContact CB-CB 4.26Å; A104-I112 HydrophobicContact CB-CG2 3.99Å; A104-L116 HydrophobicContact CB-CD1 4.31Å
105	S	92.7	Very high	91.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.3	-37.6	-179.2	-59.1	0	0	0	0	113.1	L101 H102 R103 S133 A137 H142	L101-S105 WeakPolarHBondContact O-CB 3.49Å; L101-S105 PolarHBondContact O-N 3.03Å; L101-S105 PolarHBondContact O-OG 3.49Å; H102-S105 PolarHBondContact O-N 3.43Å; R103-S105 VanDerWaalsContact C-N 3.3Å; R103-S105 PolarHBondContact O-N 3.11Å; S105-S133 VanDerWaalsContact CB-O 3.29Å; S105-S133 WeakPolarHBondContact CB-O 3.4Å; S105-A137 WeakPolarHBondContact O-CA 3.46Å; S105-H142 PolarHBondContact O-CD2 3.23Å; S105-H142 VanDerWaalsContact O-CD2 3.26Å
106	Y	91.1	Very high	92	Very high	80 Å²	80	26.6 Å²	26.6	31%	0.314	14%	0.143	S	C	.	.	H	α-helix	trans	-69.8	-38.5	175.9	-179.4	-89.1	0	0	0	112.1	H102 R103 A104 K136 R140 H142	H102-Y106 VanDerWaalsContact O-CB 3.27Å; H102-Y106 WeakPolarHBondContact O-CB 3.2Å; H102-Y106 PolarHBondContact O-N 3.37Å; R103-Y106 PolarHBondContact O-N 2.93Å; A104-Y106 PolarHBondContact O-N 3.43Å; Y106-K136 HydrophobicContact CD2-CB 4.48Å; Y106-K136 HydrophobicContact CD2-CD 4.39Å; Y106-R140 HydrophobicContact CD2-CG 4.04Å; Y106-R140 HydrophobicContact CE2-CG 4.32Å; Y106-R140 VanDerWaalsContact CE2-CZ 3.4Å; Y106-R140 HydrophobicContact CG-CG 4.38Å; Y106-R140 VanDerWaalsContact CZ-NH2 3.31Å; Y106-R140 WeakPolarHBondContact O-CG 3.29Å; Y106-R140 PolarHBondContact OH-NH2 2.9Å; Y106-H142 PolarHBondContact O-CD2 2.83Å; Y106-H142 PolarHBondContact O-NE2 3.33Å; Y106-H142 VanDerWaalsContact O-NE2 3.08Å
107	C	91	Very high	92.2	Very high	43 Å²	43	25.9 Å²	25.9	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-83.7	-15.9	-176.6	-71.5	0	0	0	0	114.1	R73 R103 A104 H109	R73-C107 PolarHBondContact O-SG 3.25Å; R103-C107 WeakPolarHBondContact O-CB 3.39Å; R103-C107 PolarHBondContact O-N 3.49Å; R103-C107 PolarHBondContact O-SG 2.94Å; A104-C107 PolarHBondContact O-N 2.89Å; C107-H109 WeakPolarHBondContact CB-CD2 3.12Å; C107-H109 WeakPolarHBondContact CB-NE2 3.3Å
108	G	91.1	Very high	92.3	Very high	22 Å²	22	30 Å²	30	23%	0.227	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.4	12.2	178.4	0	0	0	0	0	114.5	A104 T110 H142	A104-G108 PolarHBondContact O-N 3.5Å; G108-T110 PolarHBondContact O-N 2.96Å; G108-T110 VanDerWaalsContact O-N 3.09Å; G108-H142 VanDerWaalsContact CA-CD2 3.46Å; G108-H142 WeakPolarHBondContact CA-CD2 3.45Å; G108-H142 WeakPolarHBondContact CA-NE2 3.48Å; G108-H142 PolarHBondContact N-CD2 3.17Å; G108-H142 PolarHBondContact N-NE2 3.15Å
109	H	93.9	Very high	92.2	Very high	48 Å²	48	33.8 Å²	33.8	22%	0.222	18%	0.175	C	C	.	.			trans	-86.2	81.8	-173.1	-60.6	-52.9	0	0	0	111.8	S72 R73 G75 A104 C107 E111 I112 A113	S72-H109 PolarHBondContact O-CD2 3.36Å; R73-H109 PolarHBondContact O-NE2 2.84Å; R73-H109 VanDerWaalsContact O-NE2 3.07Å; G75-H109 WeakPolarHBondContact CA-NE2 3.37Å; G75-H109 PolarHBondContact N-NE2 3.17Å; A104-H109 PolarHBondContact O-N 3.15Å; C107-H109 WeakPolarHBondContact CB-CD2 3.12Å; C107-H109 WeakPolarHBondContact CB-NE2 3.3Å; H109-E111 PolarHBondContact O-N 3.26Å; H109-I112 HydrophobicContact CB-CB 4.13Å; H109-I112 HydrophobicContact CB-CD1 4.06Å; H109-I112 HydrophobicContact CB-CG1 4.19Å; H109-I112 PolarHBondContact O-N 3.44Å; H109-A113 PolarHBondContact O-N 3.48Å
110	T	93.1	Very high	91.8	Very high	26 Å²	26	36.2 Å²	36.2	16%	0.16	20%	0.201	C	C	.	.	H	α-helix	trans	-58.5	-43	-175.8	-52.1	0	0	0	0	112.9	G108 I112 A113 Q114 D144 I145 L148	G108-T110 PolarHBondContact O-N 2.96Å; G108-T110 VanDerWaalsContact O-N 3.09Å; T110-I112 VanDerWaalsContact C-N 3.32Å; T110-I112 PolarHBondContact O-N 2.89Å; T110-A113 WeakPolarHBondContact O-CB 3.41Å; T110-A113 PolarHBondContact O-N 2.93Å; T110-Q114 WeakPolarHBondContact O-CG 3.5Å; T110-Q114 PolarHBondContact O-N 2.98Å; T110-D144 HydrophobicContact CG2-CB 4.25Å; T110-I145 HydrophobicContact CG2-CG1 4.43Å; T110-L148 HydrophobicContact CG2-CD1 3.52Å
111	E	93.6	Very high	91.5	Very high	121 Å²	121	36.5 Å²	36.5	57%	0.565	20%	0.203	S	C	*	.	H	α-helix	trans	-65	-37	-179.1	-60.6	84.1	175.2	0	0	111.9	Y77 H109 Q114 L115	Y77-E111 HydrophobicContact CD2-CB 4.12Å; Y77-E111 HydrophobicContact CE2-CB 4.48Å; H109-E111 PolarHBondContact O-N 3.26Å; E111-Q114 PolarHBondContact O-N 2.79Å; E111-L115 WeakPolarHBondContact O-CB 3.2Å; E111-L115 PolarHBondContact O-N 2.73Å
112	I	93.5	Very high	91.2	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-71.4	-39.2	176.7	-61.1	-176.9	0	0	0	110.4	G75 C80 A104 H109 T110 Q114 L115 L116	G75-I112 VanDerWaalsContact C-CD1 3.42Å; G75-I112 VanDerWaalsContact CA-CD1 3.42Å; C80-I112 HydrophobicContact CB-CG2 4.43Å; A104-I112 HydrophobicContact CB-CB 4.26Å; A104-I112 HydrophobicContact CB-CG2 3.99Å; H109-I112 HydrophobicContact CB-CB 4.13Å; H109-I112 HydrophobicContact CB-CD1 4.06Å; H109-I112 HydrophobicContact CB-CG1 4.19Å; H109-I112 PolarHBondContact O-N 3.44Å; T110-I112 VanDerWaalsContact C-N 3.32Å; T110-I112 PolarHBondContact O-N 2.89Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.38Å; I112-L115 PolarHBondContact O-N 3.34Å; I112-L116 HydrophobicContact CG2-CD1 3.92Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.45Å; I112-L116 VanDerWaalsContact O-CG 3.3Å; I112-L116 WeakPolarHBondContact O-CG 3.31Å; I112-L116 PolarHBondContact O-N 3.25Å
113	A	92.8	Very high	90.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-43.8	174.5	0	0	0	0	0	111.3	L101 H109 T110 L115 L116 L117	L101-A113 HydrophobicContact CD1-CB 3.82Å; H109-A113 PolarHBondContact O-N 3.48Å; T110-A113 WeakPolarHBondContact O-CB 3.41Å; T110-A113 PolarHBondContact O-N 2.93Å; A113-L115 PolarHBondContact O-N 2.86Å; A113-L116 PolarHBondContact O-N 3.47Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 WeakPolarHBondContact O-CD1 3.38Å; A113-L117 VanDerWaalsContact O-CG 3.25Å; A113-L117 WeakPolarHBondContact O-CG 3.34Å; A113-L117 PolarHBondContact O-N 3.06Å
114	Q	92.9	Very high	90.6	Very high	95 Å²	95	44.5 Å²	44.5	44%	0.444	24%	0.24	S	C	.	.	H	α-helix	trans	-58.5	-47	173.4	-71.6	-176.4	26	0	0	112.4	T110 E111 I112 L117 S118 L148	T110-Q114 WeakPolarHBondContact O-CG 3.5Å; T110-Q114 PolarHBondContact O-N 2.98Å; E111-Q114 PolarHBondContact O-N 2.79Å; I112-Q114 VanDerWaalsContact C-N 3.33Å; I112-Q114 PolarHBondContact O-N 3.38Å; Q114-L117 PolarHBondContact O-N 3.07Å; Q114-S118 WeakPolarHBondContact O-CB 3.35Å; Q114-S118 PolarHBondContact O-N 3.37Å; Q114-S118 PolarHBondContact O-OG 3.31Å; Q114-L148 HydrophobicContact CB-CD1 4.47Å; Q114-L148 HydrophobicContact CG-CD1 3.13Å; Q114-L148 HydrophobicContact CG-CD2 4.04Å; Q114-L148 HydrophobicContact CG-CG 4.05Å; Q114-L148 VanDerWaalsContact NE2-CD1 3.34Å
115	L	93	Very high	90.3	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-61.1	-46.6	-179.5	178	122.7	0	0	0	111	Y77 C80 Q81 L84 E111 I112 A113 L117 S118 H119	Y77-L115 HydrophobicContact CD2-CD1 4.23Å; Y77-L115 HydrophobicContact CE1-CD1 4.47Å; Y77-L115 HydrophobicContact CE2-CB 4.1Å; Y77-L115 HydrophobicContact CE2-CD1 3.48Å; Y77-L115 VanDerWaalsContact CE2-CD1 3.48Å; Y77-L115 HydrophobicContact CE2-CG 4.36Å; C80-L115 HydrophobicContact CB-CD2 3.76Å; Q81-L115 HydrophobicContact CB-CD1 3.72Å; Q81-L115 HydrophobicContact CG-CD1 4.02Å; L84-L115 HydrophobicContact CD1-CD2 3.32Å; L84-L115 HydrophobicContact CD1-CG 4Å; L84-L115 HydrophobicContact CG-CD2 4.48Å; E111-L115 WeakPolarHBondContact O-CB 3.2Å; E111-L115 PolarHBondContact O-N 2.73Å; I112-L115 PolarHBondContact O-N 3.34Å; A113-L115 PolarHBondContact O-N 2.86Å; L115-L117 PolarHBondContact O-N 2.88Å; L115-S118 PolarHBondContact O-N 3.4Å; L115-H119 PolarHBondContact O-CD2 2.77Å; L115-H119 PolarHBondContact O-N 2.69Å
116	L	91.6	Very high	90.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-43.3	177.4	-70.9	169.5	0	0	0	112.1	L68 L84 C90 A100 L101 A104 I112 A113 H119 G120 S121	L68-L116 HydrophobicContact CD1-CD2 4.26Å; L68-L116 HydrophobicContact CD2-CD2 3.82Å; L68-L116 HydrophobicContact CG-CD2 4.22Å; L84-L116 HydrophobicContact CD1-CD2 4.12Å; L84-L116 HydrophobicContact CD2-CD2 4.48Å; C90-L116 HydrophobicContact CB-CD2 4.39Å; A100-L116 HydrophobicContact CB-CD1 3.99Å; A100-L116 HydrophobicContact CB-CD2 4.09Å; L101-L116 HydrophobicContact CB-CD1 4.13Å; L101-L116 HydrophobicContact CD1-CB 4.2Å; L101-L116 HydrophobicContact CD1-CD1 4.15Å; A104-L116 HydrophobicContact CB-CD1 4.31Å; I112-L116 HydrophobicContact CG2-CD1 3.92Å; I112-L116 HydrophobicContact CG2-CG 4.23Å; I112-L116 WeakPolarHBondContact O-CB 3.45Å; I112-L116 VanDerWaalsContact O-CG 3.3Å; I112-L116 WeakPolarHBondContact O-CG 3.31Å; I112-L116 PolarHBondContact O-N 3.25Å; A113-L116 PolarHBondContact O-N 3.47Å; L116-H119 CarbonylContact O-C 3.54Å; L116-H119 PolarHBondContact O-N 3.47Å; L116-G120 PolarHBondContact O-N 3.5Å; L116-S121 WeakPolarHBondContact O-CB 3.35Å; L116-S121 PolarHBondContact O-N 3.16Å
117	L	90.4	Very high	90.1	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.089	25%	0.253	C	S	.	.	H	α-helix	trans	-65.6	-38.3	177	-69.8	166.3	0	0	0	112.1	L101 A113 Q114 L115 H119 G120 P123 L148 L149 H152	L101-L117 HydrophobicContact CD1-CG 4.44Å; L101-L117 HydrophobicContact CD2-CD2 4.03Å; A113-L117 WeakPolarHBondContact O-CB 3.44Å; A113-L117 WeakPolarHBondContact O-CD1 3.38Å; A113-L117 VanDerWaalsContact O-CG 3.25Å; A113-L117 WeakPolarHBondContact O-CG 3.34Å; A113-L117 PolarHBondContact O-N 3.06Å; Q114-L117 PolarHBondContact O-N 3.07Å; L115-L117 PolarHBondContact O-N 2.88Å; L117-H119 VanDerWaalsContact C-N 3.27Å; L117-H119 PolarHBondContact O-N 3.01Å; L117-G120 PolarHBondContact O-N 3.26Å; L117-P123 HydrophobicContact CD2-CB 4.04Å; L117-P123 HydrophobicContact CD2-CG 4.03Å; L117-L148 HydrophobicContact CD1-CD2 3.26Å; L117-L149 HydrophobicContact CD1-CD2 4.09Å; L117-L149 HydrophobicContact CD2-CD2 4.4Å; L117-H152 HydrophobicContact CD1-CB 4.34Å
118	S	90.5	Very high	90.1	Very high	93 Å²	93	47.8 Å²	47.8	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-65.6	-31.8	177.1	-59	0	0	0	0	112.2	Q114 L115 G120	Q114-S118 WeakPolarHBondContact O-CB 3.35Å; Q114-S118 PolarHBondContact O-N 3.37Å; Q114-S118 PolarHBondContact O-OG 3.31Å; L115-S118 PolarHBondContact O-N 3.4Å; S118-G120 PolarHBondContact O-N 3.43Å
119	H	88.1	Confident	89.8	Confident	87 Å²	87	51.1 Å²	51.1	40%	0.403	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	13.4	173	-82	-89.7	0	0	0	113.7	L84 L115 L116 L117	L84-H119 HydrophobicContact CD1-CB 3.9Å; L84-H119 HydrophobicContact CD2-CB 4.44Å; L115-H119 PolarHBondContact O-CD2 2.77Å; L115-H119 PolarHBondContact O-N 2.69Å; L116-H119 CarbonylContact O-C 3.54Å; L116-H119 PolarHBondContact O-N 3.47Å; L117-H119 VanDerWaalsContact C-N 3.27Å; L117-H119 PolarHBondContact O-N 3.01Å
120	G	83.8	Confident	89.5	Confident	53 Å²	53	49.6 Å²	49.6	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	18.6	172.4	0	0	0	0	0	115.1	L116 L117 S118 N122	L116-G120 PolarHBondContact O-N 3.5Å; L117-G120 PolarHBondContact O-N 3.26Å; S118-G120 PolarHBondContact O-N 3.43Å; G120-N122 PolarHBondContact O-N 3.32Å
121	S	87	Confident	89.4	Confident	6 Å²	6	49 Å²	49	4%	0.042	27%	0.268	C	S	.	.			trans	-61	136.2	173.5	-171.8	0	0	0	0	110.9	D91 L116 P123	D91-S121 VanDerWaalsContact OD1-CA 3.31Å; D91-S121 WeakPolarHBondContact OD1-CA 3.29Å; D91-S121 PolarHBondContact OD1-OG 2.94Å; L116-S121 WeakPolarHBondContact O-CB 3.35Å; L116-S121 PolarHBondContact O-N 3.16Å; S121-P123 VanDerWaalsContact O-CD 3.25Å; S121-P123 WeakPolarHBondContact O-CD 3.36Å
122	N	86.4	Confident	89.3	Confident	71 Å²	71	43.2 Å²	43.2	38%	0.38	24%	0.241	S	C	.	.			trans	-86.4	110.6	-179.1	-174.7	-5.8	0	0	0	111.3	D91 G120 R124 V125	D91-N122 PolarHBondContact OD1-N 3.41Å; G120-N122 PolarHBondContact O-N 3.32Å; N122-R124 PolarHBondContact O-N 3.41Å; N122-R124 WeakPolarHBondContact OD1-CB 3.11Å; N122-R124 PolarHBondContact OD1-N 3.44Å; N122-V125 HydrophobicContact CB-CG2 3.97Å; N122-V125 WeakPolarHBondContact O-CG2 3.25Å; N122-V125 PolarHBondContact O-N 3.23Å
123	P	85.9	Confident	89.2	Confident	10 Å²	10	43.1 Å²	43.1	7%	0.065	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.1	-178.1	34.1	-37.6	0	0	0	113.6	L101 L117 S121 V125 S133 L149 S153 L156	L101-P123 HydrophobicContact CD2-CB 3.72Å; L117-P123 HydrophobicContact CD2-CB 4.04Å; L117-P123 HydrophobicContact CD2-CG 4.03Å; S121-P123 VanDerWaalsContact O-CD 3.25Å; S121-P123 WeakPolarHBondContact O-CD 3.36Å; P123-V125 VanDerWaalsContact C-N 3.27Å; P123-S133 PolarHBondContact O-OG 3Å; P123-L149 HydrophobicContact CB-CD2 3.97Å; P123-S153 WeakPolarHBondContact CG-OG 3.39Å; P123-L156 HydrophobicContact CB-CD1 3.74Å; P123-L156 HydrophobicContact CB-CD2 4.36Å; P123-L156 HydrophobicContact CG-CD1 3.99Å; P123-L156 VanDerWaalsContact O-CD2 3.31Å; P123-L156 WeakPolarHBondContact O-CD2 3.31Å
124	R	86	Confident	89.1	Confident	148 Å²	148	43.1 Å²	43.1	56%	0.558	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.4	179	-52.4	-174.6	84.4	169.9	6	113	N122 V126 L156	N122-R124 PolarHBondContact O-N 3.41Å; N122-R124 WeakPolarHBondContact OD1-CB 3.11Å; N122-R124 PolarHBondContact OD1-N 3.44Å; R124-V126 PolarHBondContact O-N 3.21Å; R124-L156 HydrophobicContact CB-CD2 4.3Å; R124-L156 HydrophobicContact CG-CD2 3.87Å
125	V	88.2	Confident	89	Confident	25 Å²	25	38.6 Å²	38.6	15%	0.152	22%	0.219	C	C	.	.			trans	-59.9	138.4	173.7	179	0	0	0	0	108.7	Q93 T99 H102 N122 P123	Q93-V125 HydrophobicContact CG-CG1 4.39Å; T99-V125 HydrophobicContact CG2-CB 4.12Å; T99-V125 HydrophobicContact CG2-CG1 3.64Å; T99-V125 HydrophobicContact CG2-CG2 4.5Å; H102-V125 PolarHBondContact CE1-O 3.04Å; H102-V125 PolarHBondContact NE2-O 2.84Å; N122-V125 HydrophobicContact CB-CG2 3.97Å; N122-V125 WeakPolarHBondContact O-CG2 3.25Å; N122-V125 PolarHBondContact O-N 3.23Å; P123-V125 VanDerWaalsContact C-N 3.27Å
126	V	89.6	Confident	88.9	Confident	63 Å²	63	39.4 Å²	39.4	38%	0.382	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-109.3	146.1	176.8	-66.5	0	0	0	0	109.7	R124 M131 T132	R124-V126 PolarHBondContact O-N 3.21Å; V126-M131 WeakPolarHBondContact CA-O 3.3Å; V126-T132 HydrophobicContact CG1-CG2 3.72Å
127	D	90.3	Very high	88.9	Confident	13 Å²	13	39.4 Å²	39.4	7%	0.07	22%	0.222	C	C	.	.			trans	-80	-178.6	166.9	72.7	4.7	0	0	0	111.7	A98 D129 G130 M131 K136	A98-D127 HydrophobicContact CB-CB 4.38Å; D127-D129 PolarHBondContact O-N 3.24Å; D127-D129 WeakPolarHBondContact OD1-CA 3.23Å; D127-D129 WeakPolarHBondContact OD1-CB 3.36Å; D127-D129 PolarHBondContact OD1-N 2.88Å; D127-G130 WeakPolarHBondContact O-CA 3.27Å; D127-G130 PolarHBondContact O-N 2.81Å; D127-G130 PolarHBondContact OD1-N 3Å; D127-M131 PolarHBondContact N-O 2.89Å; D127-M131 WeakPolarHBondContact OD1-CA 3.29Å; D127-M131 WeakPolarHBondContact OD1-CB 3.11Å; D127-M131 PolarHBondContact OD1-N 2.88Å; D127-K136 WeakPolarHBondContact OD2-CE 3.35Å; D127-K136 IonicContact OD2-NZ 2.76Å; D127-K136 PolarHBondContact OD2-NZ 3.41Å
128	D	89.4	Confident	88.8	Confident	91 Å²	91	38.6 Å²	38.6	49%	0.487	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.5	179.5	-77.3	2.9	0	0	0	113.8	G96 G130 R162	G96-D128 VanDerWaalsContact C-OD1 3.29Å; G96-D128 WeakPolarHBondContact CA-OD2 3.33Å; G96-D128 PolarHBondContact O-N 3.41Å; D128-G130 PolarHBondContact O-N 3.07Å; D128-R162 PolarHBondContact O-NE 3.13Å; D128-R162 VanDerWaalsContact O-NE 3.15Å; D128-R162 PolarHBondContact O-NH2 3.34Å
129	D	85.8	Confident	88.6	Confident	91 Å²	91	37.9 Å²	37.9	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	0.3	173.7	-66	-55.4	0	0	0	112.3	D127 M131 K136 R162	D127-D129 PolarHBondContact O-N 3.24Å; D127-D129 WeakPolarHBondContact OD1-CA 3.23Å; D127-D129 WeakPolarHBondContact OD1-CB 3.36Å; D127-D129 PolarHBondContact OD1-N 2.88Å; D129-M131 HydrophobicContact CB-CG 3.98Å; D129-M131 HydrophobicContact CB-SD 4.41Å; D129-M131 PolarHBondContact O-N 2.75Å; D129-K136 IonicContact OD2-NZ 3.9Å; D129-R162 WeakPolarHBondContact O-CB 3.4Å; D129-R162 PolarHBondContact O-N 2.69Å
130	G	88.5	Confident	88.6	Confident	16 Å²	16	39.3 Å²	39.3	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	71.6	10.6	-173.1	0	0	0	0	0	112.8	D127 D128 D161	D127-G130 WeakPolarHBondContact O-CA 3.27Å; D127-G130 PolarHBondContact O-N 2.81Å; D127-G130 PolarHBondContact OD1-N 3Å; D128-G130 PolarHBondContact O-N 3.07Å; G130-D161 WeakPolarHBondContact O-CA 3.38Å
131	M	89.8	Confident	88.7	Confident	13 Å²	13	38.6 Å²	38.6	6%	0.064	20%	0.199	C	C	.	.			trans	-84.2	135.6	-178.7	-65.9	-172.2	179.4	0	0	110.1	H102 V126 D127 D129 H135 K136 D161	H102-M131 PolarHBondContact NE2-O 2.94Å; H102-M131 VanDerWaalsContact NE2-O 3.1Å; V126-M131 WeakPolarHBondContact CA-O 3.3Å; D127-M131 PolarHBondContact N-O 2.89Å; D127-M131 WeakPolarHBondContact OD1-CA 3.29Å; D127-M131 WeakPolarHBondContact OD1-CB 3.11Å; D127-M131 PolarHBondContact OD1-N 2.88Å; D129-M131 HydrophobicContact CB-CG 3.98Å; D129-M131 HydrophobicContact CB-SD 4.41Å; D129-M131 PolarHBondContact O-N 2.75Å; M131-H135 HydrophobicContact CB-CB 3.82Å; M131-H135 HydrophobicContact CG-CB 4.13Å; M131-K136 HydrophobicContact CB-CD 4.48Å; M131-K136 HydrophobicContact SD-CD 4.05Å; M131-K136 PolarHBondContact SD-NZ 3.07Å; M131-D161 HydrophobicContact CG-CB 4.04Å
132	T	92.4	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-86.2	170.6	169	62.1	0	0	0	0	111.4	V126 L134 H135 K136 V159	V126-T132 HydrophobicContact CG1-CG2 3.72Å; T132-L134 PolarHBondContact O-N 3.4Å; T132-H135 PolarHBondContact N-ND1 3.43Å; T132-H135 WeakPolarHBondContact O-CB 3.48Å; T132-H135 PolarHBondContact O-N 3.38Å; T132-H135 PolarHBondContact OG1-ND1 2.9Å; T132-K136 PolarHBondContact O-N 3.45Å; T132-V159 HydrophobicContact CG2-CB 4.23Å; T132-V159 HydrophobicContact CG2-CG1 3.67Å
133	S	91.1	Very high	88.8	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-47.1	-41.2	168.4	50.7	0	0	0	0	113.1	H102 S105 P123 K136 A137	H102-S133 PolarHBondContact CD2-N 3.43Å; H102-S133 PolarHBondContact NE2-N 2.88Å; S105-S133 VanDerWaalsContact CB-O 3.29Å; S105-S133 WeakPolarHBondContact CB-O 3.4Å; P123-S133 PolarHBondContact O-OG 3Å; S133-K136 PolarHBondContact O-N 3.31Å; S133-A137 PolarHBondContact O-N 3.25Å
134	L	91.4	Very high	88.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-40.8	177	-174.8	66.4	0	0	0	112.8	T132 K136 A137 A138 C146 L149 L150 L156 A167 L181	T132-L134 PolarHBondContact O-N 3.4Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.21Å; L134-A137 PolarHBondContact O-N 3.26Å; L134-A138 WeakPolarHBondContact O-CB 3.32Å; L134-A138 PolarHBondContact O-N 3.17Å; L134-C146 HydrophobicContact CD1-CB 3.93Å; L134-L149 HydrophobicContact CB-CD1 4.17Å; L134-L149 HydrophobicContact CD1-CB 4.23Å; L134-L149 HydrophobicContact CD1-CD1 4.25Å; L134-L150 HydrophobicContact CD1-CG 4.45Å; L134-L150 HydrophobicContact CD2-CD2 3.99Å; L134-L156 HydrophobicContact CB-CB 4.29Å; L134-L156 HydrophobicContact CD2-CB 3.69Å; L134-A167 HydrophobicContact CD2-CB 4.03Å; L134-A167 HydrophobicContact CG-CB 3.92Å; L134-L181 HydrophobicContact CD1-CD2 4.19Å; L134-L181 HydrophobicContact CD2-CD2 3.94Å; L134-L181 HydrophobicContact CG-CD2 4.37Å
135	H	90.7	Very high	89.1	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.5	-40.5	176.9	-70.7	89.4	0	0	0	111.3	M131 T132 A138 E139 V159 R165 A167 L170	M131-H135 HydrophobicContact CB-CB 3.82Å; M131-H135 HydrophobicContact CG-CB 4.13Å; T132-H135 PolarHBondContact N-ND1 3.43Å; T132-H135 WeakPolarHBondContact O-CB 3.48Å; T132-H135 PolarHBondContact O-N 3.38Å; T132-H135 PolarHBondContact OG1-ND1 2.9Å; H135-A138 PolarHBondContact O-N 2.88Å; H135-E139 WeakPolarHBondContact O-CB 3.39Å; H135-E139 PolarHBondContact O-N 3.24Å; H135-V159 PolarHBondContact CE1-O 3.35Å; H135-V159 PolarHBondContact NE2-O 3.04Å; H135-R165 PolarHBondContact NE2-O 2.9Å; H135-A167 PolarHBondContact NE2-N 3.12Å; H135-L170 HydrophobicContact CB-CD1 3.72Å; H135-L170 WeakPolarHBondContact O-CD1 3.5Å
136	K	90.3	Very high	89.2	Confident	29 Å²	29	35.4 Å²	35.4	13%	0.126	19%	0.193	C	C	.	.	H	α-helix	trans	-68.2	-39.3	177.1	-62.6	-58.6	-173	-165.6	0	112.5	Y106 D127 D129 M131 T132 S133 L134 R140	Y106-K136 HydrophobicContact CD2-CB 4.48Å; Y106-K136 HydrophobicContact CD2-CD 4.39Å; D127-K136 WeakPolarHBondContact OD2-CE 3.35Å; D127-K136 IonicContact OD2-NZ 2.76Å; D127-K136 PolarHBondContact OD2-NZ 3.41Å; D129-K136 IonicContact OD2-NZ 3.9Å; M131-K136 HydrophobicContact CB-CD 4.48Å; M131-K136 HydrophobicContact SD-CD 4.05Å; M131-K136 PolarHBondContact SD-NZ 3.07Å; T132-K136 PolarHBondContact O-N 3.45Å; S133-K136 PolarHBondContact O-N 3.31Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 3.21Å; K136-R140 WeakPolarHBondContact O-CG 3.49Å; K136-R140 PolarHBondContact O-N 3.36Å
137	A	90.3	Very high	89.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.7	-44	173.8	0	0	0	0	0	111.4	S105 S133 L134 R140 G141 H142 I145	S105-A137 WeakPolarHBondContact O-CA 3.46Å; S133-A137 PolarHBondContact O-N 3.25Å; L134-A137 PolarHBondContact O-N 3.26Å; A137-R140 CarbonylContact O-C 3.59Å; A137-R140 PolarHBondContact O-N 3.48Å; A137-G141 PolarHBondContact O-N 3.02Å; A137-H142 HydrophobicContact CB-CB 4.38Å; A137-H142 PolarHBondContact O-N 3.39Å; A137-I145 HydrophobicContact CB-CB 4.16Å; A137-I145 HydrophobicContact CB-CG2 3.73Å
138	A	88.6	Confident	89.1	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-43.8	177.9	0	0	0	0	0	112.4	L134 H135 R140 G141 A167 L171 L181	L134-A138 WeakPolarHBondContact O-CB 3.32Å; L134-A138 PolarHBondContact O-N 3.17Å; H135-A138 PolarHBondContact O-N 2.88Å; A138-R140 PolarHBondContact O-N 3.18Å; A138-R140 VanDerWaalsContact O-N 3.13Å; A138-G141 PolarHBondContact O-N 3.33Å; A138-A167 HydrophobicContact CB-CB 4.13Å; A138-A167 WeakPolarHBondContact CB-O 3.5Å; A138-L171 HydrophobicContact CB-CD2 4.18Å; A138-L171 HydrophobicContact CB-CG 4.24Å; A138-L171 VanDerWaalsContact O-CD2 3.23Å; A138-L171 WeakPolarHBondContact O-CD2 3.43Å; A138-L181 HydrophobicContact CB-CD1 4.28Å
139	E	86.9	Confident	89.1	Confident	78 Å²	78	30.3 Å²	30.3	36%	0.364	17%	0.168	S	C	.	.	H	α-helix	trans	-54.7	-33.5	175	-175.9	-171.1	-120.2	0	0	112.1	H135	H135-E139 WeakPolarHBondContact O-CB 3.39Å; H135-E139 PolarHBondContact O-N 3.24Å
140	R	87.9	Confident	89.2	Confident	118 Å²	118	27.1 Å²	27.1	45%	0.445	15%	0.15	S	C	.	.	H	α-helix	trans	-94	-8.9	-178.3	-63.5	-75.3	157.7	-160.8	-14	113.8	Y106 K136 A137 A138 H142	Y106-R140 HydrophobicContact CD2-CG 4.04Å; Y106-R140 HydrophobicContact CE2-CG 4.32Å; Y106-R140 VanDerWaalsContact CE2-CZ 3.4Å; Y106-R140 HydrophobicContact CG-CG 4.38Å; Y106-R140 VanDerWaalsContact CZ-NH2 3.31Å; Y106-R140 WeakPolarHBondContact O-CG 3.29Å; Y106-R140 PolarHBondContact OH-NH2 2.9Å; K136-R140 WeakPolarHBondContact O-CG 3.49Å; K136-R140 PolarHBondContact O-N 3.36Å; A137-R140 CarbonylContact O-C 3.59Å; A137-R140 PolarHBondContact O-N 3.48Å; A138-R140 PolarHBondContact O-N 3.18Å; A138-R140 VanDerWaalsContact O-N 3.13Å; R140-H142 WeakPolarHBondContact CB-CD2 3.49Å; R140-H142 WeakPolarHBondContact CB-NE2 3.43Å
141	G	86.4	Confident	89.3	Confident	37 Å²	37	34.2 Å²	34.2	38%	0.381	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	22.7	-176.7	0	0	0	0	0	114.3	A137 A138 G143	A137-G141 PolarHBondContact O-N 3.02Å; A138-G141 PolarHBondContact O-N 3.33Å; G141-G143 PolarHBondContact O-N 3.26Å
142	H	88.6	Confident	89.1	Confident	56 Å²	56	38.3 Å²	38.3	26%	0.259	20%	0.198	S	C	.	.			trans	-80.8	82.2	-178	-66.5	-41.8	0	0	0	111.5	S105 Y106 G108 A137 R140 D144 I145 C146	S105-H142 PolarHBondContact O-CD2 3.23Å; S105-H142 VanDerWaalsContact O-CD2 3.26Å; Y106-H142 PolarHBondContact O-CD2 2.83Å; Y106-H142 PolarHBondContact O-NE2 3.33Å; Y106-H142 VanDerWaalsContact O-NE2 3.08Å; G108-H142 VanDerWaalsContact CA-CD2 3.46Å; G108-H142 WeakPolarHBondContact CA-CD2 3.45Å; G108-H142 WeakPolarHBondContact CA-NE2 3.48Å; G108-H142 PolarHBondContact N-CD2 3.17Å; G108-H142 PolarHBondContact N-NE2 3.15Å; A137-H142 HydrophobicContact CB-CB 4.38Å; A137-H142 PolarHBondContact O-N 3.39Å; R140-H142 WeakPolarHBondContact CB-CD2 3.49Å; R140-H142 WeakPolarHBondContact CB-NE2 3.43Å; H142-D144 PolarHBondContact O-N 2.67Å; H142-I145 HydrophobicContact CB-CB 4.41Å; H142-I145 HydrophobicContact CB-CD1 3.96Å; H142-I145 PolarHBondContact O-N 3.02Å; H142-C146 PolarHBondContact O-N 3.02Å; H142-C146 VanDerWaalsContact O-N 3.11Å; H142-C146 PolarHBondContact O-SG 3.18Å
143	G	86.3	Confident	88.8	Confident	17 Å²	17	39.7 Å²	39.7	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-67	-32.8	-169.4	0	0	0	0	0	116.2	G141 C146 S147	G141-G143 PolarHBondContact O-N 3.26Å; G143-C146 PolarHBondContact O-N 3.45Å; G143-S147 WeakPolarHBondContact O-CB 3.32Å; G143-S147 PolarHBondContact O-N 3.5Å; G143-S147 PolarHBondContact O-OG 3.22Å
144	D	89	Confident	88.5	Confident	120 Å²	120	43.7 Å²	43.7	64%	0.642	23%	0.234	S	C	*	.	H	α-helix	trans	-63.3	-44.3	177	-58.7	-41.4	0	0	0	110.7	T110 H142 S147 L148	T110-D144 HydrophobicContact CG2-CB 4.25Å; H142-D144 PolarHBondContact O-N 2.67Å; D144-S147 PolarHBondContact O-N 3.11Å; D144-L148 VanDerWaalsContact O-CB 3.27Å; D144-L148 WeakPolarHBondContact O-CB 3.45Å; D144-L148 PolarHBondContact O-N 3.1Å
145	I	90.1	Very high	88.2	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-41.6	175.9	-69.7	156.6	0	0	0	111.2	T110 A137 H142 S147 L148 L149	T110-I145 HydrophobicContact CG2-CG1 4.43Å; A137-I145 HydrophobicContact CB-CB 4.16Å; A137-I145 HydrophobicContact CB-CG2 3.73Å; H142-I145 HydrophobicContact CB-CB 4.41Å; H142-I145 HydrophobicContact CB-CD1 3.96Å; H142-I145 PolarHBondContact O-N 3.02Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.27Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 2.76Å; I145-L149 HydrophobicContact CG2-CD1 3.63Å; I145-L149 HydrophobicContact CG2-CG 4.04Å; I145-L149 WeakPolarHBondContact O-CB 3.5Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.28Å
146	C	89	Confident	87.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-49.9	175.8	-71.2	0	0	0	0	111	L134 H142 G143 L148 L149 L150 L177	L134-C146 HydrophobicContact CD1-CB 3.93Å; H142-C146 PolarHBondContact O-N 3.02Å; H142-C146 VanDerWaalsContact O-N 3.11Å; H142-C146 PolarHBondContact O-SG 3.18Å; G143-C146 PolarHBondContact O-N 3.45Å; C146-L148 VanDerWaalsContact C-N 3.27Å; C146-L148 PolarHBondContact O-N 3.48Å; C146-L149 PolarHBondContact O-N 2.87Å; C146-L150 WeakPolarHBondContact O-CB 3.47Å; C146-L150 WeakPolarHBondContact O-CG 3.43Å; C146-L150 PolarHBondContact O-N 3.45Å; C146-L177 HydrophobicContact CB-CD2 4.04Å
147	S	88.7	Confident	87.5	Confident	48 Å²	48	48.5 Å²	48.5	34%	0.336	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-42.8	178.1	-56.4	0	0	0	0	111.5	G143 D144 I145 L150 Q151 L180	G143-S147 WeakPolarHBondContact O-CB 3.32Å; G143-S147 PolarHBondContact O-N 3.5Å; G143-S147 PolarHBondContact O-OG 3.22Å; D144-S147 PolarHBondContact O-N 3.11Å; I145-S147 VanDerWaalsContact C-N 3.34Å; I145-S147 PolarHBondContact O-N 3.27Å; S147-L150 PolarHBondContact O-N 3.01Å; S147-Q151 WeakPolarHBondContact O-CB 3.43Å; S147-Q151 PolarHBondContact O-N 3Å; S147-L180 VanDerWaalsContact OG-CD2 3.3Å; S147-L180 WeakPolarHBondContact OG-CD2 3.44Å
148	L	90.4	Very high	87.3	Confident	13 Å²	13	52 Å²	52	7%	0.068	29%	0.292	C	S	.	.	H	α-helix	trans	-66.6	-47.3	-179.3	-162.6	155.7	0	0	0	113.1	T110 Q114 L117 D144 I145 C146 L150 Q151 H152	T110-L148 HydrophobicContact CG2-CD1 3.52Å; Q114-L148 HydrophobicContact CB-CD1 4.47Å; Q114-L148 HydrophobicContact CG-CD1 3.13Å; Q114-L148 HydrophobicContact CG-CD2 4.04Å; Q114-L148 HydrophobicContact CG-CG 4.05Å; Q114-L148 VanDerWaalsContact NE2-CD1 3.34Å; L117-L148 HydrophobicContact CD1-CD2 3.26Å; D144-L148 VanDerWaalsContact O-CB 3.27Å; D144-L148 WeakPolarHBondContact O-CB 3.45Å; D144-L148 PolarHBondContact O-N 3.1Å; I145-L148 WeakPolarHBondContact O-CB 3.44Å; I145-L148 PolarHBondContact O-N 2.76Å; C146-L148 VanDerWaalsContact C-N 3.27Å; C146-L148 PolarHBondContact O-N 3.48Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 3.22Å; L148-Q151 PolarHBondContact O-N 3.19Å; L148-H152 PolarHBondContact O-CD2 3.2Å; L148-H152 PolarHBondContact O-N 2.79Å
149	L	89.8	Confident	87.2	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.3	-38.6	176.3	-72.8	171.8	0	0	0	111.2	L101 L117 P123 L134 I145 C146 S153 L156	L101-L149 HydrophobicContact CD2-CD2 4.05Å; L117-L149 HydrophobicContact CD1-CD2 4.09Å; L117-L149 HydrophobicContact CD2-CD2 4.4Å; P123-L149 HydrophobicContact CB-CD2 3.97Å; L134-L149 HydrophobicContact CB-CD1 4.17Å; L134-L149 HydrophobicContact CD1-CB 4.23Å; L134-L149 HydrophobicContact CD1-CD1 4.25Å; I145-L149 HydrophobicContact CG2-CD1 3.63Å; I145-L149 HydrophobicContact CG2-CG 4.04Å; I145-L149 WeakPolarHBondContact O-CB 3.5Å; I145-L149 VanDerWaalsContact O-CG 3.31Å; I145-L149 WeakPolarHBondContact O-CG 3.35Å; I145-L149 PolarHBondContact O-N 3.28Å; C146-L149 PolarHBondContact O-N 2.87Å; L149-S153 CarbonylContact O-C 3.58Å; L149-S153 WeakPolarHBondContact O-CA 3.31Å; L149-S153 PolarHBondContact O-N 3.39Å; L149-L156 HydrophobicContact CB-CD1 4.02Å; L149-L156 HydrophobicContact CD2-CD1 4.48Å
150	L	88.1	Confident	87.2	Confident	24 Å²	24	57.4 Å²	57.4	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-38.2	175.7	-68.6	171.5	0	0	0	112.4	L134 C146 S147 L148 H152 S153 P154 K157 L180 L181	L134-L150 HydrophobicContact CD1-CG 4.45Å; L134-L150 HydrophobicContact CD2-CD2 3.99Å; C146-L150 WeakPolarHBondContact O-CB 3.47Å; C146-L150 WeakPolarHBondContact O-CG 3.43Å; C146-L150 PolarHBondContact O-N 3.45Å; S147-L150 PolarHBondContact O-N 3.01Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 3.22Å; L150-H152 VanDerWaalsContact C-N 3.33Å; L150-S153 CarbonylContact O-C 3.51Å; L150-S153 PolarHBondContact O-N 3.35Å; L150-P154 WeakPolarHBondContact O-CA 3.34Å; L150-P154 VanDerWaalsContact O-CD 3.29Å; L150-P154 WeakPolarHBondContact O-CD 3.43Å; L150-K157 HydrophobicContact CD2-CB 3.84Å; L150-L180 HydrophobicContact CD1-CD2 4.1Å; L150-L180 HydrophobicContact CD1-CG 4.24Å; L150-L181 HydrophobicContact CD1-CD2 3.7Å; L150-L181 HydrophobicContact CD2-CD2 4.16Å; L150-L181 HydrophobicContact CG-CD2 4.29Å
151	Q	89.1	Confident	87.2	Confident	165 Å²	165	52.3 Å²	52.3	77%	0.771	29%	0.294	S	S	*	.	H	α-helix	trans	-63.6	-40.5	176.3	-175	177.4	-7.4	0	0	111.4	S147 L148	S147-Q151 WeakPolarHBondContact O-CB 3.43Å; S147-Q151 PolarHBondContact O-N 3Å; L148-Q151 PolarHBondContact O-N 3.19Å
152	H	87.1	Confident	87.3	Confident	99 Å²	99	59.8 Å²	59.8	46%	0.458	31%	0.311	S	S	.	.	H	α-helix	trans	-77.3	-33.5	174.7	-86.9	-88.9	0	0	0	113.3	L117 L148 L150	L117-H152 HydrophobicContact CD1-CB 4.34Å; L148-H152 PolarHBondContact O-CD2 3.2Å; L148-H152 PolarHBondContact O-N 2.79Å; L150-H152 VanDerWaalsContact C-N 3.33Å
153	S	85.9	Confident	87.2	Confident	29 Å²	29	64.7 Å²	64.7	20%	0.203	33%	0.331	C	S	.	.			trans	-152	80.7	-170.1	-75.9	0	0	0	0	111.1	P123 L149 L150 A155 L156	P123-S153 WeakPolarHBondContact CG-OG 3.39Å; L149-S153 CarbonylContact O-C 3.58Å; L149-S153 WeakPolarHBondContact O-CA 3.31Å; L149-S153 PolarHBondContact O-N 3.39Å; L150-S153 CarbonylContact O-C 3.51Å; L150-S153 PolarHBondContact O-N 3.35Å; S153-A155 PolarHBondContact O-N 2.99Å; S153-A155 VanDerWaalsContact O-N 3.1Å; S153-L156 WeakPolarHBondContact O-CB 2.8Å; S153-L156 WeakPolarHBondContact O-CG 3.34Å; S153-L156 PolarHBondContact O-N 3Å; S153-L156 VanDerWaalsContact O-N 3.11Å
154	P	83.6	Confident	87.2	Confident	85 Å²	85	66.8 Å²	66.8	55%	0.552	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-65.1	-19.9	-178.5	25.6	-34.5	0	0	0	112.5	L150 L156 K157	L150-P154 WeakPolarHBondContact O-CA 3.34Å; L150-P154 VanDerWaalsContact O-CD 3.29Å; L150-P154 WeakPolarHBondContact O-CD 3.43Å; P154-L156 PolarHBondContact O-N 3.32Å; P154-K157 WeakPolarHBondContact O-CG 3.34Å; P154-K157 PolarHBondContact O-N 2.93Å
155	A	84.8	Confident	87.1	Confident	47 Å²	47	64.7 Å²	64.7	39%	0.388	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-63.1	-18.6	176.2	0	0	0	0	0	113.7	S153 K157 A158	S153-A155 PolarHBondContact O-N 2.99Å; S153-A155 VanDerWaalsContact O-N 3.1Å; A155-K157 VanDerWaalsContact C-N 3.25Å; A155-K157 PolarHBondContact O-N 3.46Å; A155-A158 PolarHBondContact O-N 3.09Å
156	L	84.1	Confident	87	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-65.2	-28.1	180	-65.3	169.6	0	0	0	112.7	P123 R124 L134 L149 S153 P154 A158 V159	P123-L156 HydrophobicContact CB-CD1 3.74Å; P123-L156 HydrophobicContact CB-CD2 4.36Å; P123-L156 HydrophobicContact CG-CD1 3.99Å; P123-L156 VanDerWaalsContact O-CD2 3.31Å; P123-L156 WeakPolarHBondContact O-CD2 3.31Å; R124-L156 HydrophobicContact CB-CD2 4.3Å; R124-L156 HydrophobicContact CG-CD2 3.87Å; L134-L156 HydrophobicContact CB-CB 4.29Å; L134-L156 HydrophobicContact CD2-CB 3.69Å; L149-L156 HydrophobicContact CB-CD1 4.02Å; L149-L156 HydrophobicContact CD2-CD1 4.48Å; S153-L156 WeakPolarHBondContact O-CB 2.8Å; S153-L156 WeakPolarHBondContact O-CG 3.34Å; S153-L156 PolarHBondContact O-N 3Å; S153-L156 VanDerWaalsContact O-N 3.11Å; P154-L156 PolarHBondContact O-N 3.32Å; L156-A158 PolarHBondContact O-N 3.06Å; L156-V159 PolarHBondContact O-N 3Å; L156-V159 VanDerWaalsContact O-N 3.16Å
157	K	83.2	Confident	86.7	Confident	83 Å²	83	66.9 Å²	66.9	36%	0.361	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-62.8	-27.6	-179.1	77.5	-176.5	177.9	164.6	0	113.6	L150 P154 A155 L166 S183	L150-K157 HydrophobicContact CD2-CB 3.84Å; P154-K157 WeakPolarHBondContact O-CG 3.34Å; P154-K157 PolarHBondContact O-N 2.93Å; A155-K157 VanDerWaalsContact C-N 3.25Å; A155-K157 PolarHBondContact O-N 3.46Å; K157-L166 WeakPolarHBondContact O-CD2 3.45Å; K157-S183 VanDerWaalsContact NZ-C 3.33Å; K157-S183 PolarHBondContact NZ-O 2.88Å; K157-S183 PolarHBondContact NZ-OXT 3.11Å
158	A	85.1	Confident	86.4	Confident	73 Å²	73	65.5 Å²	65.5	60%	0.603	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-92.8	-5.5	-178.7	0	0	0	0	0	113.4	A155 L156	A155-A158 PolarHBondContact O-N 3.09Å; L156-A158 PolarHBondContact O-N 3.06Å
159	V	86.8	Confident	86.2	Confident	31 Å²	31	68.9 Å²	68.9	19%	0.188	35%	0.35	C	S	.	.			trans	-72.2	136.9	178.2	-178.2	0	0	0	0	108.8	T132 H135 L156	T132-V159 HydrophobicContact CG2-CB 4.23Å; T132-V159 HydrophobicContact CG2-CG1 3.67Å; H135-V159 PolarHBondContact CE1-O 3.35Å; H135-V159 PolarHBondContact NE2-O 3.04Å; L156-V159 PolarHBondContact O-N 3Å; L156-V159 VanDerWaalsContact O-N 3.16Å
160	R	87.2	Confident	85.8	Confident	161 Å²	161	70.1 Å²	70.1	61%	0.608	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-108.4	142.1	177.7	-66	-178.3	174.9	-177.5	-3.3	110.5	R165 L166	R160-R165 CarbonylContact C-O 3.4Å; R160-R165 VanDerWaalsContact CA-O 3.3Å; R160-R165 WeakPolarHBondContact CA-O 3.33Å; R160-L166 HydrophobicContact CG-CD2 3.98Å; R160-L166 HydrophobicContact CG-CG 4.43Å
161	D	89.1	Confident	85.4	Confident	10 Å²	10	69.6 Å²	69.6	5%	0.053	35%	0.353	C	S	.	.			trans	-71.1	177.9	171.9	82.3	-11.5	0	0	0	112.2	G130 M131 K163 A164 R165	G130-D161 WeakPolarHBondContact O-CA 3.38Å; M131-D161 HydrophobicContact CG-CB 4.04Å; D161-K163 PolarHBondContact O-N 2.83Å; D161-K163 VanDerWaalsContact O-N 3.11Å; D161-K163 WeakPolarHBondContact OD1-CA 3.33Å; D161-K163 WeakPolarHBondContact OD1-CB 3.47Å; D161-K163 PolarHBondContact OD1-N 3.45Å; D161-A164 WeakPolarHBondContact O-CA 3.4Å; D161-A164 PolarHBondContact O-N 3.24Å; D161-A164 PolarHBondContact OD1-N 3.31Å; D161-R165 PolarHBondContact N-O 3.49Å; D161-R165 WeakPolarHBondContact OD1-CB 3.36Å; D161-R165 PolarHBondContact OD1-N 3.21Å; D161-R165 IonicContact OD1-NE 3.86Å; D161-R165 IonicContact OD2-CZ 3.35Å; D161-R165 IonicContact OD2-NE 3.09Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 VanDerWaalsContact OD2-NE 3.09Å; D161-R165 IonicContact OD2-NH2 2.77Å; D161-R165 PolarHBondContact OD2-NH2 3.16Å
162	R	87.7	Confident	84.6	Confident	195 Å²	195	65.9 Å²	65.9	74%	0.736	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	175.8	-177	-173.2	-75.8	-117.5	5.2	113	D128 D129 A164	D128-R162 PolarHBondContact O-NE 3.13Å; D128-R162 VanDerWaalsContact O-NE 3.15Å; D128-R162 PolarHBondContact O-NH2 3.34Å; D129-R162 WeakPolarHBondContact O-CB 3.4Å; D129-R162 PolarHBondContact O-N 2.69Å; R162-A164 VanDerWaalsContact C-N 3.27Å
163	K	86.7	Confident	83.1	Confident	159 Å²	159	66 Å²	66	69%	0.691	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	12.8	176.6	-61.8	-178.3	-179.7	174.7	0	112.6	D161 R165	D161-K163 PolarHBondContact O-N 2.83Å; D161-K163 VanDerWaalsContact O-N 3.11Å; D161-K163 WeakPolarHBondContact OD1-CA 3.33Å; D161-K163 WeakPolarHBondContact OD1-CB 3.47Å; D161-K163 PolarHBondContact OD1-N 3.45Å; K163-R165 HydrophobicContact CB-CG 4.21Å; K163-R165 PolarHBondContact O-N 3.1Å
164	A	86.4	Confident	81.8	Confident	60 Å²	60	72.4 Å²	72.4	50%	0.496	39%	0.386	S	S	.	.	S	Bend	trans	60.5	20.3	-177.7	0	0	0	0	0	114.8	D161 R162	D161-A164 WeakPolarHBondContact O-CA 3.4Å; D161-A164 PolarHBondContact O-N 3.24Å; D161-A164 PolarHBondContact OD1-N 3.31Å; R162-A164 VanDerWaalsContact C-N 3.27Å
165	R	86.1	Confident	81.1	Confident	76 Å²	76	69.5 Å²	69.5	29%	0.287	37%	0.368	S	S	.	.			trans	-88.3	144.7	178.2	-62.5	179.9	-62.6	162.5	5.9	110.5	H135 R160 D161 K163 D169	H135-R165 PolarHBondContact NE2-O 2.9Å; R160-R165 CarbonylContact C-O 3.4Å; R160-R165 VanDerWaalsContact CA-O 3.3Å; R160-R165 WeakPolarHBondContact CA-O 3.33Å; D161-R165 PolarHBondContact N-O 3.49Å; D161-R165 WeakPolarHBondContact OD1-CB 3.36Å; D161-R165 PolarHBondContact OD1-N 3.21Å; D161-R165 IonicContact OD1-NE 3.86Å; D161-R165 IonicContact OD2-CZ 3.35Å; D161-R165 IonicContact OD2-NE 3.09Å; D161-R165 PolarHBondContact OD2-NE 3.25Å; D161-R165 VanDerWaalsContact OD2-NE 3.09Å; D161-R165 IonicContact OD2-NH2 2.77Å; D161-R165 PolarHBondContact OD2-NH2 3.16Å; K163-R165 HydrophobicContact CB-CG 4.21Å; K163-R165 PolarHBondContact O-N 3.1Å; R165-D169 HydrophobicContact CB-CB 4.14Å
166	L	87.8	Confident	80.6	Confident	46 Å²	46	74.2 Å²	74.2	24%	0.241	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-83.8	163	170.6	-65.1	159.2	0	0	0	109.9	K157 R160 C168 D169	K157-L166 WeakPolarHBondContact O-CD2 3.45Å; R160-L166 HydrophobicContact CG-CD2 3.98Å; R160-L166 HydrophobicContact CG-CG 4.43Å; L166-C168 VanDerWaalsContact CB-SG 3.57Å; L166-C168 PolarHBondContact O-N 3.22Å; L166-D169 PolarHBondContact N-OD2 3.36Å; L166-D169 WeakPolarHBondContact O-CB 3.3Å; L166-D169 PolarHBondContact O-N 3.24Å
167	A	83.8	Confident	80.1	Confident	1 Å²	1	75.3 Å²	75.3	1%	0.008	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-57.1	-34.2	174.2	0	0	0	0	0	112.4	L134 H135 A138 D169 L170 L181	L134-A167 HydrophobicContact CD2-CB 4.03Å; L134-A167 HydrophobicContact CG-CB 3.92Å; H135-A167 PolarHBondContact NE2-N 3.12Å; A138-A167 HydrophobicContact CB-CB 4.13Å; A138-A167 WeakPolarHBondContact CB-O 3.5Å; A167-D169 VanDerWaalsContact C-N 3.29Å; A167-D169 PolarHBondContact O-N 3.42Å; A167-L170 PolarHBondContact O-N 3.37Å; A167-L181 HydrophobicContact CB-CD1 4.17Å
168	C	82.3	Confident	79.7	Confident	18 Å²	18	76.9 Å²	76.9	12%	0.122	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-68.5	-23.2	176.8	58.4	0	0	0	0	114.2	L166 L170 L171 L181	L166-C168 VanDerWaalsContact CB-SG 3.57Å; L166-C168 PolarHBondContact O-N 3.22Å; C168-L170 VanDerWaalsContact C-N 3.28Å; C168-L171 PolarHBondContact O-N 3.16Å; C168-L181 HydrophobicContact CB-CB 3.74Å; C168-L181 HydrophobicContact CB-CD1 4.26Å
169	D	85.4	Confident	79.3	Confident	84 Å²	84	79.1 Å²	79.1	45%	0.449	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-78	-16.1	177.3	-60.5	-39.8	0	0	0	112.3	R165 L166 A167 L171	R165-D169 HydrophobicContact CB-CB 4.14Å; L166-D169 PolarHBondContact N-OD2 3.36Å; L166-D169 WeakPolarHBondContact O-CB 3.3Å; L166-D169 PolarHBondContact O-N 3.24Å; A167-D169 VanDerWaalsContact C-N 3.29Å; A167-D169 PolarHBondContact O-N 3.42Å; D169-L171 VanDerWaalsContact C-N 3.34Å
170	L	82.6	Confident	78.7	Confident	26 Å²	26	80.7 Å²	80.7	14%	0.136	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-84.2	-13.5	176.6	-59.4	-178.2	0	0	0	112.9	H135 A167 C168	H135-L170 HydrophobicContact CB-CD1 3.72Å; H135-L170 WeakPolarHBondContact O-CD1 3.5Å; A167-L170 PolarHBondContact O-N 3.37Å; C168-L170 VanDerWaalsContact C-N 3.28Å
171	L	78.5	Confident	78	Confident	13 Å²	13	73.5 Å²	73.5	7%	0.068	38%	0.379	C	S	.	.	S	Bend	trans	-76.6	144	-177.2	-76.1	172.5	0	0	0	111.7	A138 C168 D169 S175 L177 R178 L181	A138-L171 HydrophobicContact CB-CD2 4.18Å; A138-L171 HydrophobicContact CB-CG 4.24Å; A138-L171 VanDerWaalsContact O-CD2 3.23Å; A138-L171 WeakPolarHBondContact O-CD2 3.43Å; C168-L171 PolarHBondContact O-N 3.16Å; D169-L171 VanDerWaalsContact C-N 3.34Å; L171-S175 WeakPolarHBondContact CB-OG 3.22Å; L171-L177 VanDerWaalsContact CD1-C 3.47Å; L171-L177 HydrophobicContact CD1-CB 3.65Å; L171-L177 HydrophobicContact CD2-CB 3.92Å; L171-L177 HydrophobicContact CD2-CD1 4.13Å; L171-L177 HydrophobicContact CG-CB 4.5Å; L171-R178 HydrophobicContact CD1-CB 4Å; L171-L181 HydrophobicContact CD1-CD1 3.72Å; L171-L181 HydrophobicContact CG-CD1 4.5Å
172	P	71.8	Confident	77.2	Confident	87 Å²	87	77.4 Å²	77.4	57%	0.565	41%	0.407	S	S	*	.			trans	-59	142.5	165.7	9.1	-6.2	0	0	0	109.9	N174 S175	P172-N174 PolarHBondContact O-N 3.18Å; P172-S175 PolarHBondContact O-N 3.09Å; P172-S175 PolarHBondContact O-OG 2.87Å
173	C	57	Low	76	Confident	101 Å²	101	73.4 Å²	73.4	68%	0.682	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-14	-167.6	-59	0	0	0	0	115.9
174	N	57.8	Low	75.5	Confident	164 Å²	164	69.1 Å²	69.1	88%	0.877	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	39.2	-178	-67.1	-18.6	0	0	0	112.7	P172	P172-N174 PolarHBondContact O-N 3.18Å
175	S	69.3	Low	74.9	Confident	24 Å²	24	69.6 Å²	69.6	17%	0.168	39%	0.389	C	S	.	.			trans	-104.5	130.8	176.9	55.9	0	0	0	0	110.8	L171 P172 L177 R178	L171-S175 WeakPolarHBondContact CB-OG 3.22Å; P172-S175 PolarHBondContact O-N 3.09Å; P172-S175 PolarHBondContact O-OG 2.87Å; S175-L177 PolarHBondContact O-N 2.85Å; S175-R178 VanDerWaalsContact O-CB 3.3Å; S175-R178 WeakPolarHBondContact O-CB 3.09Å; S175-R178 PolarHBondContact O-N 2.77Å
176	D	73.1	Confident	74.3	Confident	147 Å²	147	69.2 Å²	69.2	79%	0.786	40%	0.395	S	S	*	.	H	α-helix	trans	-56.4	-21.1	172.6	-54.6	-52.9	0	0	0	111.9	R178 D179 L180	D176-R178 VanDerWaalsContact C-N 3.26Å; D176-R178 PolarHBondContact O-N 2.92Å; D176-D179 PolarHBondContact O-N 3.4Å; D176-L180 PolarHBondContact O-N 3.06Å
177	L	73.9	Confident	73.5	Confident	23 Å²	23	70.6 Å²	70.6	12%	0.12	40%	0.404	C	S	.	.	H	α-helix	trans	-66.7	-24	173.4	-75.5	168.1	0	0	0	114.6	C146 L171 S175 D179 L180 L181	C146-L177 HydrophobicContact CB-CD2 4.04Å; L171-L177 VanDerWaalsContact CD1-C 3.47Å; L171-L177 HydrophobicContact CD1-CB 3.65Å; L171-L177 HydrophobicContact CD2-CB 3.92Å; L171-L177 HydrophobicContact CD2-CD1 4.13Å; L171-L177 HydrophobicContact CG-CB 4.5Å; S175-L177 PolarHBondContact O-N 2.85Å; L177-D179 VanDerWaalsContact C-N 3.31Å; L177-L180 HydrophobicContact CD2-CD2 3.84Å; L177-L180 WeakPolarHBondContact O-CB 3.4Å; L177-L180 PolarHBondContact O-N 2.83Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.38Å
178	R	76.3	Confident	72.9	Confident	115 Å²	115	74.9 Å²	74.9	43%	0.434	43%	0.429	S	S	.	.	H	α-helix	trans	-67.5	-39.7	178.7	-168.3	177	-174.2	-157.9	-0.5	110.2	L171 S175 D176 L181 S182	L171-R178 HydrophobicContact CD1-CB 4Å; S175-R178 VanDerWaalsContact O-CB 3.3Å; S175-R178 WeakPolarHBondContact O-CB 3.09Å; S175-R178 PolarHBondContact O-N 2.77Å; D176-R178 VanDerWaalsContact C-N 3.26Å; D176-R178 PolarHBondContact O-N 2.92Å; R178-L181 PolarHBondContact O-N 3.37Å; R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 2.86Å
179	D	76.8	Confident	72.2	Confident	120 Å²	120	78.7 Å²	78.7	64%	0.642	45%	0.449	S	S	*	.	H	α-helix	trans	-66.6	-41.4	175.7	-65.2	-29.4	0	0	0	110.9	D176 L177 L181 S182 S183	D176-D179 PolarHBondContact O-N 3.4Å; L177-D179 VanDerWaalsContact C-N 3.31Å; D179-L181 VanDerWaalsContact C-N 3.33Å; D179-L181 PolarHBondContact O-N 3.06Å; D179-S182 PolarHBondContact O-N 3.21Å; D179-S183 PolarHBondContact O-N 3.24Å; D179-S183 PolarHBondContact O-OG 2.81Å
180	L	74.1	Confident	71.3	Confident	64 Å²	64	78.4 Å²	78.4	34%	0.335	45%	0.449	S	S	.	.	H	α-helix	trans	-59.1	-41.1	175.3	-170.8	81.2	0	0	0	112.8	S147 L150 D176 L177 S183	S147-L180 VanDerWaalsContact OG-CD2 3.3Å; S147-L180 WeakPolarHBondContact OG-CD2 3.44Å; L150-L180 HydrophobicContact CD1-CD2 4.1Å; L150-L180 HydrophobicContact CD1-CG 4.24Å; D176-L180 PolarHBondContact O-N 3.06Å; L177-L180 HydrophobicContact CD2-CD2 3.84Å; L177-L180 WeakPolarHBondContact O-CB 3.4Å; L177-L180 PolarHBondContact O-N 2.83Å; L180-S183 PolarHBondContact O-OG 3.15Å
181	L	72.3	Confident	70.4	Confident	10 Å²	10	82.4 Å²	82.4	5%	0.052	47%	0.473	C	S	.	.	H	α-helix	trans	-83.3	-22.2	-179.8	-71.1	171.6	0	0	0	113.2	L134 A138 L150 A167 C168 L171 L177 R178 D179	L134-L181 HydrophobicContact CD1-CD2 4.19Å; L134-L181 HydrophobicContact CD2-CD2 3.94Å; L134-L181 HydrophobicContact CG-CD2 4.37Å; A138-L181 HydrophobicContact CB-CD1 4.28Å; L150-L181 HydrophobicContact CD1-CD2 3.7Å; L150-L181 HydrophobicContact CD2-CD2 4.16Å; L150-L181 HydrophobicContact CG-CD2 4.29Å; A167-L181 HydrophobicContact CB-CD1 4.17Å; C168-L181 HydrophobicContact CB-CB 3.74Å; C168-L181 HydrophobicContact CB-CD1 4.26Å; L171-L181 HydrophobicContact CD1-CD1 3.72Å; L171-L181 HydrophobicContact CG-CD1 4.5Å; L177-L181 WeakPolarHBondContact O-CG 3.4Å; L177-L181 PolarHBondContact O-N 3.38Å; R178-L181 PolarHBondContact O-N 3.37Å; D179-L181 VanDerWaalsContact C-N 3.33Å; D179-L181 PolarHBondContact O-N 3.06Å
182	S	71.1	Confident	69.7	Low	93 Å²	93	88.2 Å²	88.2	65%	0.65	51%	0.507	S	S	*	.	H	α-helix	trans	-87.9	-16.8	179.8	-168.3	0	0	0	0	113.5	R178 D179	R178-S182 WeakPolarHBondContact O-CB 3.36Å; R178-S182 PolarHBondContact O-N 2.86Å; D179-S182 PolarHBondContact O-N 3.21Å
183	S	63.6	Low	69.6	Low	110 Å²	110	88.3 Å²	88.3	77%	0.769	50%	0.501	S	S	*	.			trans	-76.7	0	170.8	62.9	0	0	0	0	112.4	K157 D179 L180	K157-S183 VanDerWaalsContact NZ-C 3.33Å; K157-S183 PolarHBondContact NZ-O 2.88Å; K157-S183 PolarHBondContact NZ-OXT 3.11Å; D179-S183 PolarHBondContact O-N 3.24Å; D179-S183 PolarHBondContact O-OG 2.81Å; L180-S183 PolarHBondContact O-OG 3.15Å

Retrieved 183 of 183 residues in 473 ms (Link to these results)

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