A0A087XPZ0_POEFO Loading...

Ankyrin repeat domain 49

AlphaFold DB , UniProt , Accession A0A087XPZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 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	T	31.4	Very low	33.2	Very low	154 Å²	154	104.9 Å²	104.9	95%	0.945	54%	0.542	S	S	*	.				0	17.7	0	-29.6	0	0	0	0	113.3
2	Q	29.6	Very low	33.7	Very low	68 Å²	68	102.6 Å²	102.6	32%	0.318	54%	0.536	S	S	.	.			trans	-146.1	17.1	-175.4	-68.8	-170.2	17	0	0	115.3	I4 I6 E232	Q2-I4 PolarHBondContact O-N 3.17Å; Q2-I6 WeakPolarHBondContact O-CG1 3.42Å; Q2-E232 VanDerWaalsContact CD-OE2 3.23Å; Q2-E232 PolarHBondContact NE2-OE2 2.9Å; Q2-E232 PolarHBondContact OE1-OE1 2.93Å; Q2-E232 PolarHBondContact OE1-OE2 3.3Å
3	V	31.1	Very low	33.9	Very low	106 Å²	106	109.3 Å²	109.3	64%	0.642	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-12	-168.6	-177.1	0	0	0	0	113.8	I6	V3-I6 WeakPolarHBondContact O-CB 3.17Å
4	I	34.7	Very low	33.9	Very low	61 Å²	61	111 Å²	111	31%	0.313	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.1	-29.8	-170.7	-69.2	172.7	0	0	0	113.6	Q2 I6 R7 L28 D29	Q2-I4 PolarHBondContact O-N 3.17Å; I4-I6 PolarHBondContact O-N 2.95Å; I4-I6 VanDerWaalsContact O-N 3.15Å; I4-R7 PolarHBondContact O-N 2.69Å; I4-L28 HydrophobicContact CG2-CB 4.33Å; I4-L28 HydrophobicContact CG2-CD1 4.15Å; I4-D29 WeakPolarHBondContact CD1-O 3.45Å
5	L	35.9	Very low	33.9	Very low	62 Å²	62	108 Å²	108	33%	0.325	58%	0.582	S	S	.	*	H	α-helix	trans	-59.5	-27.3	170.9	-151.5	79.5	0	0	0	111.4	R7 M233	L5-R7 PolarHBondContact O-N 2.87Å; L5-M233 HydrophobicContact CD2-CE 4.04Å; L5-M233 HydrophobicContact CD2-SD 3.96Å
6	I	35.4	Very low	33.7	Very low	71 Å²	71	111.9 Å²	111.9	36%	0.364	60%	0.598	S	S	.	*	H	α-helix	trans	-61.4	-35.8	179.6	-56.5	-179.9	0	0	0	112.8	Q2 V3 I4 Q10	Q2-I6 WeakPolarHBondContact O-CG1 3.42Å; V3-I6 WeakPolarHBondContact O-CB 3.17Å; I4-I6 PolarHBondContact O-N 2.95Å; I4-I6 VanDerWaalsContact O-N 3.15Å; I6-Q10 WeakPolarHBondContact O-CG 3.23Å; I6-Q10 PolarHBondContact O-N 3.06Å
7	R	28.6	Very low	33.6	Very low	197 Å²	197	116.5 Å²	116.5	74%	0.743	62%	0.615	S	S	*	*	H	α-helix	trans	-83.7	-30.9	-175.2	-88.5	-170.9	176.5	174.4	0.6	114.4	I4 L5	I4-R7 PolarHBondContact O-N 2.69Å; L5-R7 PolarHBondContact O-N 2.87Å
8	A	34.3	Very low	33.6	Very low	66 Å²	66	118.1 Å²	118.1	55%	0.545	62%	0.616	S	S	.	*	H	α-helix	trans	-73.3	-34.6	-179.2	0	0	0	0	0	112.2	T12	A8-T12 PolarHBondContact O-OG1 3.43Å
9	L	36.5	Very low	33.7	Very low	68 Å²	68	115.7 Å²	115.7	36%	0.356	61%	0.609	S	S	.	*	H	α-helix	trans	-78.9	-31.9	177.5	-73	166.2	0	0	0	112.9	Q11 T12 W13 M233	L9-Q11 VanDerWaalsContact C-N 3.28Å; L9-Q11 PolarHBondContact O-N 3.16Å; L9-T12 WeakPolarHBondContact CA-OG1 3.44Å; L9-T12 PolarHBondContact O-N 2.98Å; L9-T12 PolarHBondContact O-OG1 3.38Å; L9-W13 PolarHBondContact O-N 3.14Å; L9-M233 HydrophobicContact CD1-CE 3.58Å
10	Q	31.7	Very low	33.7	Very low	130 Å²	130	119.8 Å²	119.8	61%	0.607	62%	0.624	S	S	*	*	H	α-helix	trans	-62.6	-29.9	175.6	-89.7	-177.2	-21.9	0	0	113.8	I6	I6-Q10 WeakPolarHBondContact O-CG 3.23Å; I6-Q10 PolarHBondContact O-N 3.06Å
11	Q	35.9	Very low	33.7	Very low	171 Å²	171	118.4 Å²	118.4	80%	0.799	62%	0.618	S	S	*	*	H	α-helix	trans	-84.9	-19.4	178.7	-71.1	-170	-12.5	0	0	113.7	L9	L9-Q11 VanDerWaalsContact C-N 3.28Å; L9-Q11 PolarHBondContact O-N 3.16Å
12	T	38.9	Very low	34.1	Very low	77 Å²	77	114.6 Å²	114.6	47%	0.472	59%	0.588	S	S	.	*	H	α-helix	trans	-102.2	-15.3	-171.1	45.8	0	0	0	0	114.1	A8 L9 C14 G15	A8-T12 PolarHBondContact O-OG1 3.43Å; L9-T12 WeakPolarHBondContact CA-OG1 3.44Å; L9-T12 PolarHBondContact O-N 2.98Å; L9-T12 PolarHBondContact O-OG1 3.38Å; T12-C14 PolarHBondContact O-N 3Å; T12-C14 VanDerWaalsContact O-N 3.14Å; T12-G15 PolarHBondContact O-N 3.47Å
13	W	37	Very low	34.6	Very low	190 Å²	190	113.7 Å²	113.7	72%	0.72	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-11.1	174.7	-103.4	11.9	0	0	0	115.5	L9 C237	L9-W13 PolarHBondContact O-N 3.14Å; W13-C237 HydrophobicContact CH2-CB 3.95Å
14	C	33.5	Very low	35	Very low	133 Å²	133	115.8 Å²	115.8	90%	0.899	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	5.1	177	-94	0	0	0	0	115.2	T12	T12-C14 PolarHBondContact O-N 3Å; T12-C14 VanDerWaalsContact O-N 3.14Å
15	G	34.4	Very low	35.4	Very low	66 Å²	66	116.3 Å²	116.3	68%	0.68	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	176	15.4	177	0	0	0	0	0	122.2	T12	T12-G15 PolarHBondContact O-N 3.47Å
16	M	30.7	Very low	35.8	Very low	171 Å²	171	120 Å²	120	84%	0.842	61%	0.607	S	S	*	*			trans	-135.7	148.8	176.9	-83	-175.3	59	0	0	115
17	E	31.3	Very low	36.3	Very low	189 Å²	189	121.3 Å²	121.3	88%	0.883	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.7	147.8	174.9	-70.5	175.2	156.6	0	0	111.8
18	F	34.6	Very low	36.9	Very low	146 Å²	146	115.1 Å²	115.1	64%	0.64	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-64.5	137	-179.5	-134.5	-96.9	0	0	0	110	E20 F22	F18-E20 PolarHBondContact O-N 3.28Å; F18-F22 HydrophobicContact CE1-CE1 4.42Å; F18-F22 AromaticContact CE1-CE2 3.86Å; F18-F22 HydrophobicContact CE1-CE2 3.86Å; F18-F22 AromaticContact CE1-CZ 3.54Å; F18-F22 HydrophobicContact CE1-CZ 3.54Å; F18-F22 HydrophobicContact CZ-CZ 4.21Å
19	P	34.8	Very low	37.2	Very low	72 Å²	72	114.2 Å²	114.2	47%	0.468	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-62.4	130.1	172.4	-15.6	28.3	0	0	0	109.3	D21	P19-D21 PolarHBondContact O-N 3.12Å
20	E	33.9	Very low	37.1	Very low	197 Å²	197	114.3 Å²	114.3	92%	0.921	59%	0.585	S	S	*	*	S	Bend	trans	-64	-17.3	177.8	-67.1	-176.7	156.9	0	0	112.5	F18	F18-E20 PolarHBondContact O-N 3.28Å
21	D	34	Very low	37.4	Very low	91 Å²	91	115.1 Å²	115.1	49%	0.487	59%	0.588	S	S	.	*			trans	-131	115.8	-179.5	-87.3	-36.4	0	0	0	112.6	P19 N23	P19-D21 PolarHBondContact O-N 3.12Å; D21-N23 PolarHBondContact O-N 3.04Å; D21-N23 VanDerWaalsContact O-N 3.12Å
22	F	39.5	Very low	37.6	Very low	75 Å²	75	108.9 Å²	108.9	33%	0.329	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-65.3	-10.2	173.7	-85.7	-93.8	0	0	0	114	F18 Q24 L25	F18-F22 HydrophobicContact CE1-CE1 4.42Å; F18-F22 AromaticContact CE1-CE2 3.86Å; F18-F22 HydrophobicContact CE1-CE2 3.86Å; F18-F22 AromaticContact CE1-CZ 3.54Å; F18-F22 HydrophobicContact CE1-CZ 3.54Å; F18-F22 HydrophobicContact CZ-CZ 4.21Å; F22-Q24 PolarHBondContact O-N 3.43Å; F22-Q24 VanDerWaalsContact O-N 3.13Å; F22-L25 HydrophobicContact CD1-CD1 3.58Å; F22-L25 HydrophobicContact CE1-CD1 4.11Å; F22-L25 HydrophobicContact CG-CD1 4.5Å; F22-L25 PolarHBondContact O-N 3.18Å
23	N	39.3	Very low	37.8	Very low	48 Å²	48	111.2 Å²	111.2	26%	0.257	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-64.6	-17.7	179.6	-66.5	-12.1	0	0	0	113.8	D21 R37 W43	D21-N23 PolarHBondContact O-N 3.04Å; D21-N23 VanDerWaalsContact O-N 3.12Å; N23-R37 PolarHBondContact O-NH1 3.45Å; N23-R37 PolarHBondContact O-NH2 3.44Å; N23-W43 HydrophobicContact CB-CB 4.16Å; N23-W43 WeakPolarHBondContact ND2-CB 3.12Å; N23-W43 PolarHBondContact ND2-O 3.45Å; N23-W43 WeakPolarHBondContact OD1-CB 3.39Å
24	Q	40	Very low	38.1	Very low	151 Å²	151	107.5 Å²	107.5	71%	0.706	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-89.8	-0.2	-176.9	-56.4	-175.3	20.3	0	0	113.6	F22 E26	F22-Q24 PolarHBondContact O-N 3.43Å; F22-Q24 VanDerWaalsContact O-N 3.13Å; Q24-E26 PolarHBondContact O-N 3.27Å
25	L	43.2	Very low	38.7	Very low	72 Å²	72	105.3 Å²	105.3	38%	0.377	55%	0.547	S	S	.	.			trans	-84	113.8	176.1	-67.1	167.9	0	0	0	110.8	F22 R37	F22-L25 HydrophobicContact CD1-CD1 3.58Å; F22-L25 HydrophobicContact CE1-CD1 4.11Å; F22-L25 HydrophobicContact CG-CD1 4.5Å; F22-L25 PolarHBondContact O-N 3.18Å; L25-R37 PolarHBondContact O-NH2 3.28Å
26	E	45.3	Very low	38.9	Very low	140 Å²	140	107.6 Å²	107.6	65%	0.654	55%	0.551	S	S	*	*			trans	-76.7	124.4	172.8	-68.1	-177.1	168.4	0	0	110.4	Q24 L34	Q24-E26 PolarHBondContact O-N 3.27Å; E26-L34 HydrophobicContact CB-CD2 4.08Å; E26-L34 HydrophobicContact CG-CD2 4.3Å
27	L	45.8	Very low	39.6	Very low	97 Å²	97	104.5 Å²	104.5	51%	0.508	53%	0.529	S	S	.	.			trans	-87.6	118.6	177.2	-74.2	162.2	0	0	0	109.3	I35	L27-I35 HydrophobicContact CB-CB 4.44Å; L27-I35 PolarHBondContact O-N 3.32Å
28	L	41.2	Very low	39.8	Very low	67 Å²	67	97.2 Å²	97.2	35%	0.351	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-107.2	143.7	177.8	-61.4	174.4	0	0	0	111	I4 H33 L34	I4-L28 HydrophobicContact CG2-CB 4.33Å; I4-L28 HydrophobicContact CG2-CD1 4.15Å; L28-H33 WeakPolarHBondContact CA-O 3.36Å; L28-L34 HydrophobicContact CD2-CD2 3.77Å; L28-L34 HydrophobicContact CD2-CG 4.01Å
29	D	39.6	Very low	39.7	Very low	48 Å²	48	96.9 Å²	96.9	26%	0.257	52%	0.517	S	S	.	.			trans	-73.9	176.4	171.2	83.8	-6.7	0	0	0	111.6	I4 H31 G32 H33 I35	I4-D29 WeakPolarHBondContact CD1-O 3.45Å; D29-H31 PolarHBondContact O-N 3.32Å; D29-H31 VanDerWaalsContact OD1-C 3.28Å; D29-H31 VanDerWaalsContact OD1-CA 3.31Å; D29-H31 WeakPolarHBondContact OD1-CA 3.48Å; D29-H31 WeakPolarHBondContact OD1-CB 3.47Å; D29-H31 PolarHBondContact OD1-N 3.42Å; D29-H31 IonicContact OD2-ND1 4Å; D29-G32 PolarHBondContact O-N 3.23Å; D29-G32 VanDerWaalsContact O-N 3.11Å; D29-G32 PolarHBondContact OD1-N 3.15Å; D29-H33 PolarHBondContact N-O 3.23Å; D29-H33 PolarHBondContact OD1-N 2.96Å; D29-H33 IonicContact OD1-ND1 3.44Å; D29-H33 IonicContact OD2-ND1 3.98Å; D29-I35 HydrophobicContact CB-CD1 4.2Å; D29-I35 HydrophobicContact CB-CG1 3.98Å
30	T	35	Very low	39.8	Very low	69 Å²	69	99.9 Å²	99.9	42%	0.423	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.5	-179.1	54.7	0	0	0	0	114.7
31	H	38.3	Very low	40	Very low	147 Å²	147	92.3 Å²	92.3	68%	0.681	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	3.6	179.6	-58.5	91.9	0	0	0	112.2	D29	D29-H31 PolarHBondContact O-N 3.32Å; D29-H31 VanDerWaalsContact OD1-C 3.28Å; D29-H31 VanDerWaalsContact OD1-CA 3.31Å; D29-H31 WeakPolarHBondContact OD1-CA 3.48Å; D29-H31 WeakPolarHBondContact OD1-CB 3.47Å; D29-H31 PolarHBondContact OD1-N 3.42Å; D29-H31 IonicContact OD2-ND1 4Å
32	G	39.8	Very low	39.9	Very low	41 Å²	41	91.5 Å²	91.5	42%	0.423	51%	0.505	S	S	.	.	S	Bend	trans	81.8	15.7	179.6	0	0	0	0	0	114.6	D29	D29-G32 PolarHBondContact O-N 3.23Å; D29-G32 VanDerWaalsContact O-N 3.11Å; D29-G32 PolarHBondContact OD1-N 3.15Å
33	H	42.6	Very low	39.8	Very low	126 Å²	126	95 Å²	95	58%	0.583	52%	0.516	S	S	*	.			trans	-87.6	139.9	172.1	-65.9	100	0	0	0	111	L28 D29 I35	L28-H33 WeakPolarHBondContact CA-O 3.36Å; D29-H33 PolarHBondContact N-O 3.23Å; D29-H33 PolarHBondContact OD1-N 2.96Å; D29-H33 IonicContact OD1-ND1 3.44Å; D29-H33 IonicContact OD2-ND1 3.98Å; H33-I35 PolarHBondContact O-N 3.46Å
34	L	42.4	Very low	39.2	Very low	111 Å²	111	96.9 Å²	96.9	58%	0.581	53%	0.53	S	S	*	.	B	Isolated β-bridge	trans	-58.4	122.4	172.7	-73.5	161.9	0	0	0	110	E26 L28 P36	E26-L34 HydrophobicContact CB-CD2 4.08Å; E26-L34 HydrophobicContact CG-CD2 4.3Å; L28-L34 HydrophobicContact CD2-CD2 3.77Å; L28-L34 HydrophobicContact CD2-CG 4.01Å; L34-P36 VanDerWaalsContact O-CD 3.29Å; L34-P36 WeakPolarHBondContact O-CD 3.47Å
35	I	47.7	Very low	38.8	Very low	87 Å²	87	94.4 Å²	94.4	45%	0.446	54%	0.535	S	S	.	.			trans	-78.2	111.9	169.6	-58.7	175.8	0	0	0	106.2	L27 D29 H33 R37	L27-I35 HydrophobicContact CB-CB 4.44Å; L27-I35 PolarHBondContact O-N 3.32Å; D29-I35 HydrophobicContact CB-CD1 4.2Å; D29-I35 HydrophobicContact CB-CG1 3.98Å; H33-I35 PolarHBondContact O-N 3.46Å; I35-R37 PolarHBondContact O-N 2.77Å; I35-R37 VanDerWaalsContact O-N 3.15Å
36	P	38.6	Very low	38	Very low	115 Å²	115	93.7 Å²	93.7	75%	0.747	54%	0.536	S	S	*	.			trans	-64.3	123	-179.4	5	2.4	0	0	0	109	L34 G38	L34-P36 VanDerWaalsContact O-CD 3.29Å; L34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-G38 PolarHBondContact O-N 2.88Å; P36-G38 VanDerWaalsContact O-N 3.09Å
37	R	43.8	Very low	37.4	Very low	105 Å²	105	96.8 Å²	96.8	40%	0.396	55%	0.547	S	S	.	.			trans	-54.6	113.3	167.7	-85.5	-169.2	-170.7	171.3	6.6	107.9	N23 L25 I35 S41	N23-R37 PolarHBondContact O-NH1 3.45Å; N23-R37 PolarHBondContact O-NH2 3.44Å; L25-R37 PolarHBondContact O-NH2 3.28Å; I35-R37 PolarHBondContact O-N 2.77Å; I35-R37 VanDerWaalsContact O-N 3.15Å; R37-S41 WeakPolarHBondContact CA-OG 3.21Å; R37-S41 WeakPolarHBondContact CB-OG 3.34Å; R37-S41 WeakPolarHBondContact CD-O 3.4Å
38	G	35.8	Very low	36.8	Very low	36 Å²	36	98.3 Å²	98.3	37%	0.371	56%	0.556	S	S	.	*			trans	-56.9	159	175.9	0	0	0	0	0	110.7	P36 T40 S41	P36-G38 PolarHBondContact O-N 2.88Å; P36-G38 VanDerWaalsContact O-N 3.09Å; G38-T40 PolarHBondContact O-N 2.59Å; G38-S41 PolarHBondContact N-OG 3.07Å; G38-S41 VanDerWaalsContact N-OG 3.08Å; G38-S41 PolarHBondContact O-N 3.01Å; G38-S41 PolarHBondContact O-OG 3.02Å
39	P	32.9	Very low	36.7	Very low	139 Å²	139	103 Å²	103	90%	0.903	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-3.6	-170.7	23.2	-32.7	0	0	0	115.3
40	T	36.5	Very low	36.6	Very low	136 Å²	136	109.6 Å²	109.6	83%	0.834	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	3.5	172.3	56.4	0	0	0	0	114.2	G38	G38-T40 PolarHBondContact O-N 2.59Å
41	S	38.9	Very low	36.6	Very low	38 Å²	38	114.5 Å²	114.5	27%	0.266	62%	0.624	S	S	.	*			trans	-107.8	40.3	179.2	56.4	0	0	0	0	112.2	R37 G38 W43	R37-S41 WeakPolarHBondContact CA-OG 3.21Å; R37-S41 WeakPolarHBondContact CB-OG 3.34Å; R37-S41 WeakPolarHBondContact CD-O 3.4Å; G38-S41 PolarHBondContact N-OG 3.07Å; G38-S41 VanDerWaalsContact N-OG 3.08Å; G38-S41 PolarHBondContact O-N 3.01Å; G38-S41 PolarHBondContact O-OG 3.02Å; S41-W43 PolarHBondContact O-N 3.08Å
42	S	32.7	Very low	36.9	Very low	74 Å²	74	115.2 Å²	115.2	52%	0.517	63%	0.627	S	S	.	*			trans	-73.5	99.8	150.2	55	0	0	0	0	106.9	T44	S42-T44 PolarHBondContact O-N 2.87Å; S42-T44 PolarHBondContact O-OG1 3.49Å; S42-T44 PolarHBondContact OG-OG1 3.5Å
43	W	36.7	Very low	37	Very low	148 Å²	148	118 Å²	118	56%	0.561	64%	0.635	S	S	*	*			trans	-69.6	47.2	154.4	-68.7	80.5	0	0	0	110.4	N23 S41 A45	N23-W43 HydrophobicContact CB-CB 4.16Å; N23-W43 WeakPolarHBondContact ND2-CB 3.12Å; N23-W43 PolarHBondContact ND2-O 3.45Å; N23-W43 WeakPolarHBondContact OD1-CB 3.39Å; S41-W43 PolarHBondContact O-N 3.08Å; W43-A45 PolarHBondContact O-N 3.21Å
44	T	26.8	Very low	36.7	Very low	88 Å²	88	119.3 Å²	119.3	54%	0.54	65%	0.647	S	S	.	*			trans	-64.2	126.3	146.9	43.4	0	0	0	0	103.5	S42 S46	S42-T44 PolarHBondContact O-N 2.87Å; S42-T44 PolarHBondContact O-OG1 3.49Å; S42-T44 PolarHBondContact OG-OG1 3.5Å; T44-S46 PolarHBondContact O-N 3.24Å
45	A	30.4	Very low	37.1	Very low	98 Å²	98	120.7 Å²	120.7	81%	0.81	65%	0.65	S	S	*	*			trans	-50.3	87.3	146.6	0	0	0	0	0	105.1	W43 K47	W43-A45 PolarHBondContact O-N 3.21Å; A45-K47 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 3.17Å
46	S	27.3	Very low	37.2	Very low	58 Å²	58	124.1 Å²	124.1	41%	0.406	67%	0.665	S	S	.	*			trans	-55	118.1	154.3	-57.7	0	0	0	0	101.4	T44 D48	T44-S46 PolarHBondContact O-N 3.24Å; S46-D48 VanDerWaalsContact CB-N 3.35Å; S46-D48 WeakPolarHBondContact CB-OD1 3.49Å; S46-D48 WeakPolarHBondContact CB-OD2 3.31Å; S46-D48 PolarHBondContact O-N 3.1Å; S46-D48 PolarHBondContact OG-OD2 2.83Å
47	K	33.3	Very low	38	Very low	205 Å²	205	124 Å²	124	89%	0.891	66%	0.662	S	S	*	*			trans	-57.9	64.1	137.6	-75.4	177.5	168.6	-177.5	0	106.1	A45 E49	A45-K47 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 3.17Å; K47-E49 PolarHBondContact O-N 2.93Å
48	D	32.1	Very low	39.6	Very low	129 Å²	129	122.4 Å²	122.4	69%	0.69	66%	0.659	S	S	*	*			trans	-65.9	96.5	154	-72.9	-27.1	0	0	0	99.2	S46 E50	S46-D48 VanDerWaalsContact CB-N 3.35Å; S46-D48 WeakPolarHBondContact CB-OD1 3.49Å; S46-D48 WeakPolarHBondContact CB-OD2 3.31Å; S46-D48 PolarHBondContact O-N 3.1Å; S46-D48 PolarHBondContact OG-OD2 2.83Å; D48-E50 PolarHBondContact O-N 3.4Å
49	E	38.9	Very low	41.7	Very low	166 Å²	166	123.9 Å²	123.9	78%	0.776	66%	0.663	S	S	*	*			trans	14.9	108.9	147.2	-62	177.8	172.1	0	0	109.3	K47 E51	K47-E49 PolarHBondContact O-N 2.93Å; E49-E51 PolarHBondContact O-N 3.11Å
50	E	37.5	Very low	44.1	Very low	186 Å²	186	122.5 Å²	122.5	87%	0.869	65%	0.645	S	S	*	*			trans	-49.1	84.3	157.6	-68.8	169.5	170.3	0	0	105.5	D48 E52	D48-E50 PolarHBondContact O-N 3.4Å; E50-E52 PolarHBondContact O-N 2.83Å
51	E	36.4	Very low	46.3	Very low	172 Å²	172	123 Å²	123	80%	0.804	64%	0.638	S	S	*	*			trans	-66.1	86.5	160	-90	-169	159.5	0	0	100.9	E49 V53	E49-E51 PolarHBondContact O-N 3.11Å; E51-V53 PolarHBondContact O-N 3.09Å
52	E	43.7	Very low	48.7	Very low	161 Å²	161	124.7 Å²	124.7	75%	0.752	64%	0.638	S	S	*	*			trans	-43.7	95.7	149.9	-66.6	-148	165	0	0	104.5	E50 D54	E50-E52 PolarHBondContact O-N 2.83Å; E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.03Å
53	V	41.3	Very low	51.1	Low	99 Å²	99	122.8 Å²	122.8	60%	0.6	62%	0.62	S	S	*	*			trans	-48.5	112.1	157.2	172.6	0	0	0	0	102.1	E51 E55	E51-V53 PolarHBondContact O-N 3.09Å; V53-E55 PolarHBondContact O-N 2.76Å
54	D	37.3	Very low	53.4	Low	154 Å²	154	120.3 Å²	120.3	82%	0.824	62%	0.617	S	S	*	*			trans	-50.1	88.4	179	-67.3	-52.3	0	0	0	107.2	E52 E56	E52-D54 VanDerWaalsContact C-N 3.28Å; E52-D54 PolarHBondContact O-N 3.03Å; D54-E56 VanDerWaalsContact C-N 3.28Å; D54-E56 PolarHBondContact O-N 2.79Å
55	E	50.6	Low	56.4	Low	140 Å²	140	122.5 Å²	122.5	65%	0.654	62%	0.621	S	S	*	*			trans	-58.4	110.2	158.9	-86.1	-173	170.6	0	0	100.6	V53 T57	V53-E55 PolarHBondContact O-N 2.76Å; E55-T57 HydrophobicContact CB-CG2 4.1Å; E55-T57 WeakPolarHBondContact O-CA 3.32Å; E55-T57 WeakPolarHBondContact O-CB 3.43Å; E55-T57 WeakPolarHBondContact O-CG2 3.47Å; E55-T57 PolarHBondContact O-N 3.07Å; E55-T57 PolarHBondContact O-OG1 2.9Å
56	E	50.3	Low	59.1	Low	160 Å²	160	122.1 Å²	122.1	75%	0.748	60%	0.601	S	S	*	*			trans	-60.1	84.9	175.7	-151.5	171.7	-158.7	0	0	105.2	D54 H58	D54-E56 VanDerWaalsContact C-N 3.28Å; D54-E56 PolarHBondContact O-N 2.79Å; E56-H58 PolarHBondContact O-N 3.21Å
57	T	55.4	Low	62	Low	111 Å²	111	120.5 Å²	120.5	68%	0.681	59%	0.588	S	S	*	*			trans	-81.5	86.6	-164.2	21.4	0	0	0	0	103.9	E55	E55-T57 HydrophobicContact CB-CG2 4.1Å; E55-T57 WeakPolarHBondContact O-CA 3.32Å; E55-T57 WeakPolarHBondContact O-CB 3.43Å; E55-T57 WeakPolarHBondContact O-CG2 3.47Å; E55-T57 PolarHBondContact O-N 3.07Å; E55-T57 PolarHBondContact O-OG1 2.9Å
58	H	75.9	Confident	64.7	Low	72 Å²	72	115.3 Å²	115.3	33%	0.333	57%	0.569	S	S	.	*			trans	-52.7	144.6	173.3	-66.6	-47.1	0	0	0	109.1	E56 W62 Y63	E56-H58 PolarHBondContact O-N 3.21Å; H58-W62 HydrophobicContact CB-CB 3.93Å; H58-W62 HydrophobicContact CB-CD2 3.72Å; H58-W62 HydrophobicContact CB-CE3 3.64Å; H58-W62 HydrophobicContact CB-CG 3.85Å; H58-W62 HydrophobicContact CB-CZ3 4.39Å; H58-W62 AromaticContact CD2-CD2 3.82Å; H58-W62 AromaticContact CD2-CE2 3.88Å; H58-W62 AromaticContact CD2-CE3 3.66Å; H58-W62 AromaticContact CD2-CH2 3.68Å; H58-W62 AromaticContact CD2-CZ2 3.83Å; H58-W62 AromaticContact CD2-CZ3 3.59Å; H58-W62 AromaticContact CG-CD2 3.73Å; H58-W62 AromaticContact CG-CE3 3.82Å; H58-W62 AromaticContact NE2-CZ2 3.91Å; H58-Y63 HydrophobicContact CB-CD2 4.36Å; H58-Y63 HydrophobicContact CB-CE2 3.86Å; H58-Y63 VanDerWaalsContact O-CE2 3.29Å; H58-Y63 WeakPolarHBondContact O-CE2 3.37Å
59	S	80.9	Confident	67.5	Low	68 Å²	68	112.8 Å²	112.8	48%	0.476	57%	0.566	S	S	.	*			trans	-57.2	150.3	176.5	56.8	0	0	0	0	110.3	E61 W62 Y63	S59-E61 PolarHBondContact O-N 3.22Å; S59-E61 VanDerWaalsContact O-N 3.1Å; S59-W62 VanDerWaalsContact O-CB 3.3Å; S59-W62 WeakPolarHBondContact O-CB 3.32Å; S59-W62 PolarHBondContact O-N 2.91Å; S59-W62 PolarHBondContact OG-N 2.7Å; S59-Y63 WeakPolarHBondContact O-CD2 3.29Å; S59-Y63 PolarHBondContact O-N 3.3Å
60	E	82.3	Confident	69.9	Low	109 Å²	109	106.1 Å²	106.1	51%	0.509	54%	0.536	S	S	.	.	H	α-helix	trans	-54.7	-30.4	172.9	-82.8	-68.9	151.3	0	0	111.9	W62 Y63 L64 R86	E60-W62 VanDerWaalsContact C-N 3.35Å; E60-W62 PolarHBondContact O-N 3.38Å; E60-Y63 PolarHBondContact O-N 3.22Å; E60-L64 WeakPolarHBondContact O-CG 3.46Å; E60-L64 PolarHBondContact O-N 2.9Å; E60-R86 IonicContact OE1-CZ 3.64Å; E60-R86 IonicContact OE1-NH1 3.98Å; E60-R86 PolarHBondContact OE1-NH1 2.63Å; E60-R86 IonicContact OE1-NH2 3.69Å; E60-R86 IonicContact OE2-CZ 2.74Å; E60-R86 IonicContact OE2-NH1 2.87Å; E60-R86 PolarHBondContact OE2-NH1 3.43Å; E60-R86 VanDerWaalsContact OE2-NH1 3.13Å; E60-R86 IonicContact OE2-NH2 3.68Å; E60-R86 PolarHBondContact OE2-NH2 2.86Å
61	E	84.3	Confident	72.2	Confident	146 Å²	146	102.5 Å²	102.5	68%	0.682	52%	0.518	S	S	*	.	H	α-helix	trans	-59.6	-43.2	172.8	-66	-179	166.4	0	0	112.1	S59 Y63 L64 E65	S59-E61 PolarHBondContact O-N 3.22Å; S59-E61 VanDerWaalsContact O-N 3.1Å; E61-Y63 PolarHBondContact O-N 3.24Å; E61-L64 PolarHBondContact O-N 2.9Å; E61-E65 WeakPolarHBondContact O-CG 3.35Å; E61-E65 PolarHBondContact O-N 2.75Å
62	W	88.2	Confident	74.7	Confident	75 Å²	75	101.2 Å²	101.2	28%	0.284	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-41.3	177.4	-176	97.6	0	0	0	112.1	H58 S59 E60 E65 K66 W80	H58-W62 HydrophobicContact CB-CB 3.93Å; H58-W62 HydrophobicContact CB-CD2 3.72Å; H58-W62 HydrophobicContact CB-CE3 3.64Å; H58-W62 HydrophobicContact CB-CG 3.85Å; H58-W62 HydrophobicContact CB-CZ3 4.39Å; H58-W62 AromaticContact CD2-CD2 3.82Å; H58-W62 AromaticContact CD2-CE2 3.88Å; H58-W62 AromaticContact CD2-CE3 3.66Å; H58-W62 AromaticContact CD2-CH2 3.68Å; H58-W62 AromaticContact CD2-CZ2 3.83Å; H58-W62 AromaticContact CD2-CZ3 3.59Å; H58-W62 AromaticContact CG-CD2 3.73Å; H58-W62 AromaticContact CG-CE3 3.82Å; H58-W62 AromaticContact NE2-CZ2 3.91Å; S59-W62 VanDerWaalsContact O-CB 3.3Å; S59-W62 WeakPolarHBondContact O-CB 3.32Å; S59-W62 PolarHBondContact O-N 2.91Å; S59-W62 PolarHBondContact OG-N 2.7Å; E60-W62 VanDerWaalsContact C-N 3.35Å; E60-W62 PolarHBondContact O-N 3.38Å; W62-E65 PolarHBondContact O-N 3.17Å; W62-K66 HydrophobicContact CD2-CG 4.14Å; W62-K66 HydrophobicContact CE3-CG 4.01Å; W62-K66 HydrophobicContact CH2-CD 4.37Å; W62-K66 HydrophobicContact CH2-CG 3.79Å; W62-K66 HydrophobicContact CZ2-CD 4.32Å; W62-K66 VanDerWaalsContact CZ2-CE 3.48Å; W62-K66 HydrophobicContact CZ2-CG 3.91Å; W62-K66 HydrophobicContact CZ3-CG 3.85Å; W62-K66 WeakPolarHBondContact O-CG 3.46Å; W62-K66 PolarHBondContact O-N 3.39Å; W62-W80 AromaticContact CZ3-CZ2 3.91Å; W62-W80 HydrophobicContact CZ3-CZ2 3.91Å
63	Y	83.1	Confident	77	Confident	33 Å²	33	96.6 Å²	96.6	13%	0.129	50%	0.497	C	S	.	.	H	α-helix	trans	-64.1	-42	176.4	-74.1	-73.2	0	0	0	111.4	H58 S59 E60 E61 K66 E67 W80 N84	H58-Y63 HydrophobicContact CB-CD2 4.36Å; H58-Y63 HydrophobicContact CB-CE2 3.86Å; H58-Y63 VanDerWaalsContact O-CE2 3.29Å; H58-Y63 WeakPolarHBondContact O-CE2 3.37Å; S59-Y63 WeakPolarHBondContact O-CD2 3.29Å; S59-Y63 PolarHBondContact O-N 3.3Å; E60-Y63 PolarHBondContact O-N 3.22Å; E61-Y63 PolarHBondContact O-N 3.24Å; Y63-K66 PolarHBondContact O-N 3.46Å; Y63-E67 WeakPolarHBondContact O-CG 3.49Å; Y63-E67 PolarHBondContact O-N 3.18Å; Y63-W80 AromaticContact CD1-CH2 3.56Å; Y63-W80 HydrophobicContact CD1-CH2 3.56Å; Y63-W80 AromaticContact CD1-CZ2 3.48Å; Y63-W80 HydrophobicContact CD1-CZ2 3.48Å; Y63-W80 VanDerWaalsContact CD1-CZ2 3.48Å; Y63-W80 HydrophobicContact CE1-CH2 4.47Å; Y63-W80 HydrophobicContact CE1-CZ2 4.08Å; Y63-W80 HydrophobicContact CG-CH2 4.38Å; Y63-N84 HydrophobicContact CD1-CB 4.49Å; Y63-N84 HydrophobicContact CE1-CB 3.85Å
64	L	86.3	Confident	79.3	Confident	97 Å²	97	94.4 Å²	94.4	51%	0.508	48%	0.484	S	S	.	.	H	α-helix	trans	-65.7	-40.9	177.2	-70.5	170.7	0	0	0	112.5	E60 E61 K66 E67 D68	E60-L64 WeakPolarHBondContact O-CG 3.46Å; E60-L64 PolarHBondContact O-N 2.9Å; E61-L64 PolarHBondContact O-N 2.9Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.19Å; L64-E67 PolarHBondContact O-N 3.36Å; L64-D68 PolarHBondContact O-N 3.22Å
65	E	89.3	Confident	81.9	Confident	133 Å²	133	93.1 Å²	93.1	62%	0.621	47%	0.471	S	S	*	.	H	α-helix	trans	-60.8	-42.1	174.4	-75.1	178.8	-178.3	0	0	111.5	E61 W62 D68 A69	E61-E65 WeakPolarHBondContact O-CG 3.35Å; E61-E65 PolarHBondContact O-N 2.75Å; W62-E65 PolarHBondContact O-N 3.17Å; E65-D68 PolarHBondContact O-N 2.79Å; E65-A69 WeakPolarHBondContact O-CB 3.13Å; E65-A69 PolarHBondContact O-N 3.14Å
66	K	87.4	Confident	83.9	Confident	90 Å²	90	91.2 Å²	91.2	39%	0.391	46%	0.463	S	S	.	.	H	α-helix	trans	-65.3	-42.4	174.7	-78.4	-68.2	-170.3	177	0	112.7	W62 Y63 L64 D68 A69 L70 W80	W62-K66 HydrophobicContact CD2-CG 4.14Å; W62-K66 HydrophobicContact CE3-CG 4.01Å; W62-K66 HydrophobicContact CH2-CD 4.37Å; W62-K66 HydrophobicContact CH2-CG 3.79Å; W62-K66 HydrophobicContact CZ2-CD 4.32Å; W62-K66 VanDerWaalsContact CZ2-CE 3.48Å; W62-K66 HydrophobicContact CZ2-CG 3.91Å; W62-K66 HydrophobicContact CZ3-CG 3.85Å; W62-K66 WeakPolarHBondContact O-CG 3.46Å; W62-K66 PolarHBondContact O-N 3.39Å; Y63-K66 PolarHBondContact O-N 3.46Å; L64-K66 VanDerWaalsContact C-N 3.31Å; L64-K66 PolarHBondContact O-N 3.19Å; K66-D68 VanDerWaalsContact C-N 3.33Å; K66-D68 PolarHBondContact O-N 3.39Å; K66-A69 PolarHBondContact O-N 3.28Å; K66-L70 PolarHBondContact O-N 3.04Å; K66-W80 HydrophobicContact CB-CH2 4.03Å; K66-W80 HydrophobicContact CB-CZ2 3.66Å; K66-W80 HydrophobicContact CG-CZ2 4.28Å
67	E	88.3	Confident	85.9	Confident	25 Å²	25	83.8 Å²	83.8	12%	0.117	43%	0.428	C	S	.	.	H	α-helix	trans	-61.7	-40.7	175.3	-74	-170.7	-179.6	0	0	111.8	Y63 L64 L70 K71 L77 W80 R86 T89	Y63-E67 WeakPolarHBondContact O-CG 3.49Å; Y63-E67 PolarHBondContact O-N 3.18Å; L64-E67 PolarHBondContact O-N 3.36Å; E67-L70 PolarHBondContact O-N 3.12Å; E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å; E67-L77 HydrophobicContact CB-CD1 4.36Å; E67-L77 HydrophobicContact CG-CD1 4.12Å; E67-W80 HydrophobicContact CG-CH2 3.9Å; E67-W80 HydrophobicContact CG-CZ3 3.52Å; E67-R86 IonicContact OE1-NE 2.76Å; E67-T89 PolarHBondContact OE1-OG1 3.14Å
68	D	89.6	Confident	87.7	Confident	95 Å²	95	78.5 Å²	78.5	51%	0.508	40%	0.395	S	S	.	.	H	α-helix	trans	-68.6	-36.9	176.4	-169	65.3	0	0	0	112.1	L64 E65 K66 L70 K71	L64-D68 PolarHBondContact O-N 3.22Å; E65-D68 PolarHBondContact O-N 2.79Å; K66-D68 VanDerWaalsContact C-N 3.33Å; K66-D68 PolarHBondContact O-N 3.39Å; D68-L70 VanDerWaalsContact C-N 3.32Å; D68-L70 PolarHBondContact O-N 3.04Å; D68-K71 WeakPolarHBondContact O-CD 3.48Å; D68-K71 VanDerWaalsContact O-CE 3.32Å; D68-K71 WeakPolarHBondContact O-CE 3.25Å; D68-K71 WeakPolarHBondContact O-CG 3.34Å; D68-K71 PolarHBondContact O-N 3.29Å; D68-K71 WeakPolarHBondContact OD1-CD 3.43Å; D68-K71 IonicContact OD1-NZ 3.61Å; D68-K71 PolarHBondContact OD1-NZ 2.72Å; D68-K71 IonicContact OD2-NZ 3.83Å; D68-K71 PolarHBondContact OD2-NZ 2.97Å
69	A	91.3	Very high	88.5	Confident	76 Å²	76	75.8 Å²	75.8	63%	0.628	38%	0.383	S	S	*	.	H	α-helix	trans	-65.8	-34.7	176.4	0	0	0	0	0	112.8	E65 K66	E65-A69 WeakPolarHBondContact O-CB 3.13Å; E65-A69 PolarHBondContact O-N 3.14Å; K66-A69 PolarHBondContact O-N 3.28Å
70	L	88.7	Confident	89	Confident	26 Å²	26	74.2 Å²	74.2	14%	0.136	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	4.7	-178	-66.6	175.2	0	0	0	113.6	K66 E67 D68 D72 N73 E76 L77 W80	K66-L70 PolarHBondContact O-N 3.04Å; E67-L70 PolarHBondContact O-N 3.12Å; D68-L70 VanDerWaalsContact C-N 3.32Å; D68-L70 PolarHBondContact O-N 3.04Å; L70-D72 PolarHBondContact O-N 2.8Å; L70-D72 VanDerWaalsContact O-N 3.14Å; L70-N73 CarbonylContact O-C 3.38Å; L70-N73 PolarHBondContact O-N 3.16Å; L70-E76 HydrophobicContact CD1-CG 4.49Å; L70-E76 HydrophobicContact CD2-CB 4.4Å; L70-E76 HydrophobicContact CD2-CG 3.93Å; L70-L77 HydrophobicContact CB-CB 4.02Å; L70-L77 HydrophobicContact CB-CD1 3.9Å; L70-L77 HydrophobicContact CB-CG 4.45Å; L70-L77 HydrophobicContact CD1-CD1 4.44Å; L70-W80 HydrophobicContact CD1-CB 4.28Å; L70-W80 HydrophobicContact CD1-CG 4.29Å
71	K	86.1	Confident	89.5	Confident	111 Å²	111	69 Å²	69	48%	0.483	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.7	-176.5	72.9	-169.7	159.7	-159	0	114.1	E67 D68 N73	E67-K71 PolarHBondContact O-N 3.25Å; E67-K71 VanDerWaalsContact O-N 3.1Å; D68-K71 WeakPolarHBondContact O-CD 3.48Å; D68-K71 VanDerWaalsContact O-CE 3.32Å; D68-K71 WeakPolarHBondContact O-CE 3.25Å; D68-K71 WeakPolarHBondContact O-CG 3.34Å; D68-K71 PolarHBondContact O-N 3.29Å; D68-K71 WeakPolarHBondContact OD1-CD 3.43Å; D68-K71 IonicContact OD1-NZ 3.61Å; D68-K71 PolarHBondContact OD1-NZ 2.72Å; D68-K71 IonicContact OD2-NZ 3.83Å; D68-K71 PolarHBondContact OD2-NZ 2.97Å; K71-N73 VanDerWaalsContact C-N 3.34Å
72	D	88.8	Confident	89.9	Confident	145 Å²	145	62.1 Å²	62.1	78%	0.775	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-12.1	-179.4	-63.9	-36.6	0	0	0	112.4	L70 P74	L70-D72 PolarHBondContact O-N 2.8Å; L70-D72 VanDerWaalsContact O-N 3.14Å; D72-P74 WeakPolarHBondContact O-CD 3.49Å
73	N	91.7	Very high	90	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.342	31%	0.309	S	S	.	.			trans	-118.9	81	176.7	-167.9	-2.8	0	0	0	111.3	L70 K71 K75 E76 L77	L70-N73 CarbonylContact O-C 3.38Å; L70-N73 PolarHBondContact O-N 3.16Å; K71-N73 VanDerWaalsContact C-N 3.34Å; N73-K75 PolarHBondContact O-N 3.44Å; N73-E76 HydrophobicContact CB-CB 4.24Å; N73-E76 WeakPolarHBondContact ND2-CB 3.48Å; N73-E76 PolarHBondContact ND2-OE2 3.24Å; N73-E76 PolarHBondContact O-N 3.42Å; N73-L77 WeakPolarHBondContact O-CB 3.48Å; N73-L77 PolarHBondContact O-N 2.95Å
74	P	89.9	Confident	90.3	Very high	53 Å²	53	61.5 Å²	61.5	34%	0.344	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-24.5	-174.1	26.1	-35.2	0	0	0	113.5	D72 V78 L100	D72-P74 WeakPolarHBondContact O-CD 3.49Å; P74-V78 WeakPolarHBondContact O-CG1 3.32Å; P74-V78 PolarHBondContact O-N 3.2Å; P74-L100 HydrophobicContact CB-CD1 4.05Å; P74-L100 HydrophobicContact CB-CD2 4.16Å; P74-L100 HydrophobicContact CG-CD2 4.49Å
75	K	92.4	Very high	90.5	Very high	126 Å²	126	60.9 Å²	60.9	55%	0.548	31%	0.311	S	S	.	.	H	α-helix	trans	-68.8	-48	176.8	-67.4	-177.5	179.8	-179.7	0	111.5	N73 V78 L79 L100 C103	N73-K75 PolarHBondContact O-N 3.44Å; K75-V78 WeakPolarHBondContact O-CG1 3.47Å; K75-L79 WeakPolarHBondContact O-CD1 3.23Å; K75-L79 VanDerWaalsContact O-CG 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.29Å; K75-L79 PolarHBondContact O-N 3.36Å; K75-L100 HydrophobicContact CG-CD2 4.04Å; K75-C103 HydrophobicContact CB-CB 4.36Å; K75-C103 HydrophobicContact CD-CB 4.47Å; K75-C103 HydrophobicContact CG-CB 4.1Å
76	E	91.2	Very high	90.6	Very high	101 Å²	101	57 Å²	57	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-69.5	-39	177.9	-170.8	173.4	-178.5	0	0	110.9	L70 N73 V78 L79 W80	L70-E76 HydrophobicContact CD1-CG 4.49Å; L70-E76 HydrophobicContact CD2-CB 4.4Å; L70-E76 HydrophobicContact CD2-CG 3.93Å; N73-E76 HydrophobicContact CB-CB 4.24Å; N73-E76 WeakPolarHBondContact ND2-CB 3.48Å; N73-E76 PolarHBondContact ND2-OE2 3.24Å; N73-E76 PolarHBondContact O-N 3.42Å; E76-V78 PolarHBondContact O-N 3.33Å; E76-L79 PolarHBondContact O-N 3.11Å; E76-W80 WeakPolarHBondContact O-CB 3.44Å; E76-W80 PolarHBondContact O-N 3.09Å
77	L	92.7	Very high	90.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-42.5	176.8	-176.6	61.8	0	0	0	112.7	E67 L70 N73 W80 A81 T89 L93	E67-L77 HydrophobicContact CB-CD1 4.36Å; E67-L77 HydrophobicContact CG-CD1 4.12Å; L70-L77 HydrophobicContact CB-CB 4.02Å; L70-L77 HydrophobicContact CB-CD1 3.9Å; L70-L77 HydrophobicContact CB-CG 4.45Å; L70-L77 HydrophobicContact CD1-CD1 4.44Å; N73-L77 WeakPolarHBondContact O-CB 3.48Å; N73-L77 PolarHBondContact O-N 2.95Å; L77-W80 HydrophobicContact CD1-CE3 4.12Å; L77-W80 HydrophobicContact CD1-CZ3 4.42Å; L77-A81 WeakPolarHBondContact O-CB 3.34Å; L77-A81 PolarHBondContact O-N 2.94Å; L77-T89 HydrophobicContact CG-CG2 4.47Å; L77-L93 HydrophobicContact CB-CD1 4.28Å; L77-L93 HydrophobicContact CD2-CD1 3.88Å; L77-L93 HydrophobicContact CD2-CD2 4.05Å; L77-L93 HydrophobicContact CD2-CG 4.49Å; L77-L93 HydrophobicContact CG-CD1 3.77Å
78	V	93.3	Very high	90.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69	-35.2	178.7	69.4	0	0	0	0	112.2	P74 K75 E76 A82 L93 L100 C103 P111	P74-V78 WeakPolarHBondContact O-CG1 3.32Å; P74-V78 PolarHBondContact O-N 3.2Å; K75-V78 WeakPolarHBondContact O-CG1 3.47Å; E76-V78 PolarHBondContact O-N 3.33Å; V78-A82 VanDerWaalsContact O-CB 3.29Å; V78-A82 WeakPolarHBondContact O-CB 3.47Å; V78-A82 PolarHBondContact O-N 3.49Å; V78-L93 HydrophobicContact CB-CD1 3.96Å; V78-L93 HydrophobicContact CG2-CD1 4.49Å; V78-L100 HydrophobicContact CG1-CB 4.22Å; V78-C103 WeakPolarHBondContact CG1-SG 3.33Å; V78-P111 HydrophobicContact CG1-CG 3.97Å; V78-P111 HydrophobicContact CG2-CB 4.42Å; V78-P111 HydrophobicContact CG2-CG 4.15Å
79	L	92.6	Very high	91	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-49	175.7	-71.1	166.5	0	0	0	110.7	K75 E76 A82 E83 D105 Y109 T110 P111 R114	K75-L79 WeakPolarHBondContact O-CD1 3.23Å; K75-L79 VanDerWaalsContact O-CG 3.31Å; K75-L79 WeakPolarHBondContact O-CG 3.29Å; K75-L79 PolarHBondContact O-N 3.36Å; E76-L79 PolarHBondContact O-N 3.11Å; L79-A82 PolarHBondContact O-N 3.19Å; L79-E83 PolarHBondContact O-N 3.16Å; L79-E83 VanDerWaalsContact O-N 3.13Å; L79-D105 HydrophobicContact CD1-CB 4.04Å; L79-Y109 WeakPolarHBondContact CD2-O 3.34Å; L79-T110 VanDerWaalsContact CD2-C 3.47Å; L79-P111 HydrophobicContact CD2-CB 4.49Å; L79-P111 HydrophobicContact CD2-CG 3.88Å; L79-P111 HydrophobicContact CG-CG 4.45Å; L79-R114 HydrophobicContact CB-CG 4.48Å; L79-R114 HydrophobicContact CD2-CG 4.1Å
80	W	92	Very high	91	Very high	36 Å²	36	51.8 Å²	51.8	14%	0.136	26%	0.261	C	S	.	.	H	α-helix	trans	-63.9	-43.3	177.2	174.9	87.5	0	0	0	112.3	W62 Y63 K66 E67 L70 E76 L77 A82 E83 N84 R86	W62-W80 AromaticContact CZ3-CZ2 3.91Å; W62-W80 HydrophobicContact CZ3-CZ2 3.91Å; Y63-W80 AromaticContact CD1-CH2 3.56Å; Y63-W80 HydrophobicContact CD1-CH2 3.56Å; Y63-W80 AromaticContact CD1-CZ2 3.48Å; Y63-W80 HydrophobicContact CD1-CZ2 3.48Å; Y63-W80 VanDerWaalsContact CD1-CZ2 3.48Å; Y63-W80 HydrophobicContact CE1-CH2 4.47Å; Y63-W80 HydrophobicContact CE1-CZ2 4.08Å; Y63-W80 HydrophobicContact CG-CH2 4.38Å; K66-W80 HydrophobicContact CB-CH2 4.03Å; K66-W80 HydrophobicContact CB-CZ2 3.66Å; K66-W80 HydrophobicContact CG-CZ2 4.28Å; E67-W80 HydrophobicContact CG-CH2 3.9Å; E67-W80 HydrophobicContact CG-CZ3 3.52Å; L70-W80 HydrophobicContact CD1-CB 4.28Å; L70-W80 HydrophobicContact CD1-CG 4.29Å; E76-W80 WeakPolarHBondContact O-CB 3.44Å; E76-W80 PolarHBondContact O-N 3.09Å; L77-W80 HydrophobicContact CD1-CE3 4.12Å; L77-W80 HydrophobicContact CD1-CZ3 4.42Å; W80-A82 VanDerWaalsContact C-N 3.27Å; W80-A82 PolarHBondContact O-N 3.36Å; W80-E83 WeakPolarHBondContact O-CB 3.42Å; W80-E83 PolarHBondContact O-N 3.01Å; W80-E83 VanDerWaalsContact O-N 3.11Å; W80-N84 VanDerWaalsContact CD1-ND2 3.34Å; W80-N84 PolarHBondContact NE1-ND2 3.04Å; W80-N84 PolarHBondContact O-N 3.48Å; W80-N84 PolarHBondContact O-ND2 3.33Å; W80-R86 HydrophobicContact CH2-CG 4.36Å; W80-R86 HydrophobicContact CZ3-CG 4.02Å
81	A	92.6	Very high	91.2	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.8	-36.4	178.6	0	0	0	0	0	111.7	L77 E83 R86 T89 V90	L77-A81 WeakPolarHBondContact O-CB 3.34Å; L77-A81 PolarHBondContact O-N 2.94Å; A81-E83 VanDerWaalsContact C-N 3.34Å; A81-R86 HydrophobicContact CB-CB 3.99Å; A81-R86 PolarHBondContact O-N 3.33Å; A81-T89 HydrophobicContact CB-CG2 4.16Å; A81-V90 HydrophobicContact CB-CG2 3.71Å
82	A	92.7	Very high	91.5	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-69.3	-31.9	175.4	0	0	0	0	0	112.9	V78 L79 W80 V90 P111 R114 A115 V123 L127	V78-A82 VanDerWaalsContact O-CB 3.29Å; V78-A82 WeakPolarHBondContact O-CB 3.47Å; V78-A82 PolarHBondContact O-N 3.49Å; L79-A82 PolarHBondContact O-N 3.19Å; W80-A82 VanDerWaalsContact C-N 3.27Å; W80-A82 PolarHBondContact O-N 3.36Å; A82-V90 HydrophobicContact CB-CG2 4.49Å; A82-P111 HydrophobicContact CB-CB 3.97Å; A82-P111 WeakPolarHBondContact CB-O 3.39Å; A82-R114 HydrophobicContact CB-CB 4.39Å; A82-A115 HydrophobicContact CB-CB 4.32Å; A82-A115 WeakPolarHBondContact O-CA 3.36Å; A82-V123 HydrophobicContact CB-CG1 4.07Å; A82-L127 HydrophobicContact CB-CD1 4.32Å
83	E	90.6	Very high	91.7	Very high	54 Å²	54	50.1 Å²	50.1	25%	0.252	25%	0.246	S	C	.	.	H	α-helix	trans	-74.8	-29.8	176.6	-162.9	171.9	154.1	0	0	113.2	L79 W80 A81 R114 S118 H120	L79-E83 PolarHBondContact O-N 3.16Å; L79-E83 VanDerWaalsContact O-N 3.13Å; W80-E83 WeakPolarHBondContact O-CB 3.42Å; W80-E83 PolarHBondContact O-N 3.01Å; W80-E83 VanDerWaalsContact O-N 3.11Å; A81-E83 VanDerWaalsContact C-N 3.34Å; E83-R114 HydrophobicContact CB-CB 4.13Å; E83-R114 IonicContact OE1-NH1 2.72Å; E83-R114 WeakPolarHBondContact OE2-CD 3.19Å; E83-R114 IonicContact OE2-CZ 3.45Å; E83-R114 IonicContact OE2-NE 2.87Å; E83-R114 IonicContact OE2-NH1 3.29Å; E83-R114 PolarHBondContact OE2-NH1 2.98Å; E83-S118 WeakPolarHBondContact CG-OG 3.49Å; E83-S118 VanDerWaalsContact O-CB 3.22Å; E83-S118 WeakPolarHBondContact O-CB 3.4Å; E83-S118 PolarHBondContact O-OG 3.12Å; E83-H120 PolarHBondContact O-CD2 3.36Å; E83-H120 PolarHBondContact O-NE2 3.17Å
84	N	89.1	Confident	91.6	Very high	41 Å²	41	47.9 Å²	47.9	22%	0.219	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	26.5	-172.2	-67.3	-90.5	0	0	0	113.7	Y63 W80 R86	Y63-N84 HydrophobicContact CD1-CB 4.49Å; Y63-N84 HydrophobicContact CE1-CB 3.85Å; W80-N84 VanDerWaalsContact CD1-ND2 3.34Å; W80-N84 PolarHBondContact NE1-ND2 3.04Å; W80-N84 PolarHBondContact O-N 3.48Å; W80-N84 PolarHBondContact O-ND2 3.33Å; N84-R86 HydrophobicContact CB-CG 4.28Å; N84-R86 PolarHBondContact O-N 3.33Å
85	N	90.6	Very high	91.7	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	27.5	179.7	-157	18.4	0	0	0	115.8	L87 H120	N85-L87 PolarHBondContact O-N 3.31Å; N85-H120 PolarHBondContact N-CD2 3Å; N85-H120 VanDerWaalsContact N-CD2 3.25Å; N85-H120 PolarHBondContact N-NE2 2.75Å
86	R	91.1	Very high	91.7	Very high	51 Å²	51	47.6 Å²	47.6	19%	0.192	26%	0.26	C	S	.	.			trans	-84	64.8	-179.5	-55.8	-55.3	-68.9	-173.4	-8	111	E60 E67 W80 A81 N84 T88 T89 V90	E60-R86 IonicContact OE1-CZ 3.64Å; E60-R86 IonicContact OE1-NH1 3.98Å; E60-R86 PolarHBondContact OE1-NH1 2.63Å; E60-R86 IonicContact OE1-NH2 3.69Å; E60-R86 IonicContact OE2-CZ 2.74Å; E60-R86 IonicContact OE2-NH1 2.87Å; E60-R86 PolarHBondContact OE2-NH1 3.43Å; E60-R86 VanDerWaalsContact OE2-NH1 3.13Å; E60-R86 IonicContact OE2-NH2 3.68Å; E60-R86 PolarHBondContact OE2-NH2 2.86Å; E67-R86 IonicContact OE1-NE 2.76Å; W80-R86 HydrophobicContact CH2-CG 4.36Å; W80-R86 HydrophobicContact CZ3-CG 4.02Å; A81-R86 HydrophobicContact CB-CB 3.99Å; A81-R86 PolarHBondContact O-N 3.33Å; N84-R86 HydrophobicContact CB-CG 4.28Å; N84-R86 PolarHBondContact O-N 3.33Å; R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.46Å; R86-T89 PolarHBondContact O-N 2.99Å; R86-V90 WeakPolarHBondContact O-CG2 3.42Å; R86-V90 PolarHBondContact O-N 3.33Å
87	L	91	Very high	91.8	Very high	52 Å²	52	45.8 Å²	45.8	27%	0.272	25%	0.253	S	S	.	.	H	α-helix	trans	-53.6	-43.8	-175.9	-177.5	63.9	0	0	0	112.8	N85 T89 V90 L91 E122 V123 T126	N85-L87 PolarHBondContact O-N 3.31Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.86Å; L87-V90 PolarHBondContact O-N 3.18Å; L87-L91 HydrophobicContact CD1-CD1 4.47Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.24Å; L87-L91 PolarHBondContact O-N 2.92Å; L87-E122 HydrophobicContact CD2-CB 4.44Å; L87-V123 HydrophobicContact CB-CG2 4.41Å; L87-V123 HydrophobicContact CD1-CG2 4.21Å; L87-T126 HydrophobicContact CD1-CG2 3.74Å; L87-T126 WeakPolarHBondContact CD1-OG1 3.34Å
88	T	91.4	Very high	91.6	Very high	117 Å²	117	49.8 Å²	49.8	72%	0.718	28%	0.28	S	S	*	.	H	α-helix	trans	-59.8	-42.1	178.7	-49.9	0	0	0	0	111.7	R86 R92	R86-T88 VanDerWaalsContact C-N 3.29Å; R86-T88 PolarHBondContact O-N 3.46Å; T88-R92 WeakPolarHBondContact O-CB 3.49Å; T88-R92 PolarHBondContact O-N 3.28Å
89	T	90.5	Very high	91.5	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-69.4	-43.3	179.2	-53.6	0	0	0	0	110.7	E67 L77 A81 R86 L87 L91 R92 L93	E67-T89 PolarHBondContact OE1-OG1 3.14Å; L77-T89 HydrophobicContact CG-CG2 4.47Å; A81-T89 HydrophobicContact CB-CG2 4.16Å; R86-T89 PolarHBondContact O-N 2.99Å; L87-T89 VanDerWaalsContact C-N 3.3Å; L87-T89 PolarHBondContact O-N 2.86Å; T89-L91 PolarHBondContact O-N 2.92Å; T89-R92 PolarHBondContact O-N 3.14Å; T89-L93 HydrophobicContact CG2-CD1 4.06Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 VanDerWaalsContact O-CG 3.27Å; T89-L93 WeakPolarHBondContact O-CG 3.45Å; T89-L93 PolarHBondContact O-N 2.86Å
90	V	91.6	Very high	91.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.7	-49.4	173.9	174.8	0	0	0	0	111	A81 A82 R86 L87 R92 L93 L94 V123 L127	A81-V90 HydrophobicContact CB-CG2 3.71Å; A82-V90 HydrophobicContact CB-CG2 4.49Å; R86-V90 WeakPolarHBondContact O-CG2 3.42Å; R86-V90 PolarHBondContact O-N 3.33Å; L87-V90 PolarHBondContact O-N 3.18Å; V90-R92 PolarHBondContact O-N 2.92Å; V90-L93 PolarHBondContact O-N 3.47Å; V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.23Å; V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å; V90-L94 PolarHBondContact O-N 3.46Å; V90-V123 HydrophobicContact CG2-CG1 4.44Å; V90-L127 HydrophobicContact CG1-CD2 4.08Å
91	L	93.4	Very high	91.4	Very high	88 Å²	88	53.7 Å²	53.7	46%	0.461	30%	0.302	S	S	.	.	H	α-helix	trans	-61.7	-42.9	178.8	-72.6	174.7	0	0	0	112.3	L87 T89 L93 L94 A95 T126	L87-L91 HydrophobicContact CD1-CD1 4.47Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 4.2Å; L87-L91 WeakPolarHBondContact O-CG 3.24Å; L87-L91 PolarHBondContact O-N 2.92Å; T89-L91 PolarHBondContact O-N 2.92Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.78Å; L91-L94 PolarHBondContact O-N 2.97Å; L91-A95 VanDerWaalsContact O-CB 3.26Å; L91-A95 WeakPolarHBondContact O-CB 3.32Å; L91-A95 PolarHBondContact O-N 2.86Å; L91-T126 HydrophobicContact CD2-CG2 4.18Å
92	R	92.6	Very high	91.3	Very high	146 Å²	146	58.3 Å²	58.3	55%	0.551	32%	0.324	S	S	*	.	H	α-helix	trans	-60.6	-43.4	176.8	-177.4	177.9	66.8	93	-4.5	111.6	T88 T89 V90 A96	T88-R92 WeakPolarHBondContact O-CB 3.49Å; T88-R92 PolarHBondContact O-N 3.28Å; T89-R92 PolarHBondContact O-N 3.14Å; V90-R92 PolarHBondContact O-N 2.92Å; R92-A96 PolarHBondContact O-N 3.49Å; R92-A96 VanDerWaalsContact O-N 3.13Å
93	L	91.9	Very high	91.2	Very high	13 Å²	13	58.9 Å²	58.9	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-45	179.9	-70.3	171.1	0	0	0	112	L77 V78 T89 V90 L91 A95 A96 D97 L100	L77-L93 HydrophobicContact CB-CD1 4.28Å; L77-L93 HydrophobicContact CD2-CD1 3.88Å; L77-L93 HydrophobicContact CD2-CD2 4.05Å; L77-L93 HydrophobicContact CD2-CG 4.49Å; L77-L93 HydrophobicContact CG-CD1 3.77Å; V78-L93 HydrophobicContact CB-CD1 3.96Å; V78-L93 HydrophobicContact CG2-CD1 4.49Å; T89-L93 HydrophobicContact CG2-CD1 4.06Å; T89-L93 WeakPolarHBondContact O-CB 3.39Å; T89-L93 VanDerWaalsContact O-CG 3.27Å; T89-L93 WeakPolarHBondContact O-CG 3.45Å; T89-L93 PolarHBondContact O-N 2.86Å; V90-L93 PolarHBondContact O-N 3.47Å; L91-L93 VanDerWaalsContact C-N 3.34Å; L91-L93 PolarHBondContact O-N 2.78Å; L93-A95 VanDerWaalsContact C-N 3.27Å; L93-A95 PolarHBondContact O-N 3.02Å; L93-A96 PolarHBondContact O-N 2.85Å; L93-A96 VanDerWaalsContact O-N 3.1Å; L93-D97 PolarHBondContact O-N 3.3Å; L93-L100 HydrophobicContact CB-CD1 3.99Å
94	L	90.9	Very high	91.3	Very high	17 Å²	17	59.2 Å²	59.2	9%	0.089	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-30.3	177.4	-66	176.4	0	0	0	112.6	V90 L91 D97 P98 L100 V101 L127 A130	V90-L94 HydrophobicContact CG1-CD1 3.7Å; V90-L94 HydrophobicContact CG1-CG 4.23Å; V90-L94 WeakPolarHBondContact O-CB 3.45Å; V90-L94 VanDerWaalsContact O-CG 3.26Å; V90-L94 WeakPolarHBondContact O-CG 3.41Å; V90-L94 PolarHBondContact O-N 3.46Å; L91-L94 PolarHBondContact O-N 2.97Å; L94-D97 CarbonylContact O-C 3.45Å; L94-P98 WeakPolarHBondContact O-CA 3.39Å; L94-L100 HydrophobicContact CD2-CB 4.24Å; L94-V101 HydrophobicContact CD2-CB 3.83Å; L94-V101 HydrophobicContact CD2-CG2 4.41Å; L94-L127 HydrophobicContact CD1-CD2 4.06Å; L94-A130 HydrophobicContact CD1-CB 3.94Å
95	A	91.9	Very high	91.3	Very high	86 Å²	86	59 Å²	59	71%	0.711	33%	0.334	S	S	*	.	H	α-helix	trans	-70.3	-32.8	172.5	0	0	0	0	0	112.5	L91 L93	L91-A95 VanDerWaalsContact O-CB 3.26Å; L91-A95 WeakPolarHBondContact O-CB 3.32Å; L91-A95 PolarHBondContact O-N 2.86Å; L93-A95 VanDerWaalsContact C-N 3.27Å; L93-A95 PolarHBondContact O-N 3.02Å
96	A	91.9	Very high	91.3	Very high	86 Å²	86	64 Å²	64	71%	0.711	36%	0.355	S	S	*	.	H	α-helix	trans	-77.9	-44.5	177	0	0	0	0	0	112.1	R92 L93	R92-A96 PolarHBondContact O-N 3.49Å; R92-A96 VanDerWaalsContact O-N 3.13Å; L93-A96 PolarHBondContact O-N 2.85Å; L93-A96 VanDerWaalsContact O-N 3.1Å
97	D	92.4	Very high	91.2	Very high	64 Å²	64	66.1 Å²	66.1	34%	0.342	37%	0.37	S	S	.	.			trans	-140.8	102.7	176.6	-177.1	2.9	0	0	0	110.7	L93 L94 L99 L100	L93-D97 PolarHBondContact O-N 3.3Å; L94-D97 CarbonylContact O-C 3.45Å; D97-L99 PolarHBondContact O-N 3.17Å; D97-L99 VanDerWaalsContact OD1-CB 3.28Å; D97-L99 WeakPolarHBondContact OD1-CB 3.29Å; D97-L99 PolarHBondContact OD1-N 3.08Å; D97-L100 HydrophobicContact CB-CD1 3.93Å; D97-L100 HydrophobicContact CB-CG 3.93Å; D97-L100 WeakPolarHBondContact O-CB 3.27Å; D97-L100 WeakPolarHBondContact O-CG 3.44Å; D97-L100 PolarHBondContact O-N 3.21Å
98	P	90.1	Very high	91.2	Very high	87 Å²	87	64 Å²	64	57%	0.565	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-62	-22.5	177.2	-24.4	34.6	0	0	0	113.9	L94 L100 V101	L94-P98 WeakPolarHBondContact O-CA 3.39Å; P98-L100 PolarHBondContact O-N 3.35Å; P98-V101 VanDerWaalsContact O-CG1 3.27Å; P98-V101 WeakPolarHBondContact O-CG1 3.45Å; P98-V101 PolarHBondContact O-N 2.63Å
99	L	90.6	Very high	91.2	Very high	125 Å²	125	60.8 Å²	60.8	65%	0.654	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-71.7	-16.2	-178.2	-59.1	177.6	0	0	0	112.5	D97 V101 H102	D97-L99 PolarHBondContact O-N 3.17Å; D97-L99 VanDerWaalsContact OD1-CB 3.28Å; D97-L99 WeakPolarHBondContact OD1-CB 3.29Å; D97-L99 PolarHBondContact OD1-N 3.08Å; L99-V101 PolarHBondContact O-N 3.13Å; L99-H102 PolarHBondContact O-N 2.8Å
100	L	91.1	Very high	91.4	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.037	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-61	-23.2	175.2	-68.6	175.4	0	0	0	112.7	P74 K75 V78 L93 L94 D97 P98 H102 C103	P74-L100 HydrophobicContact CB-CD1 4.05Å; P74-L100 HydrophobicContact CB-CD2 4.16Å; P74-L100 HydrophobicContact CG-CD2 4.49Å; K75-L100 HydrophobicContact CG-CD2 4.04Å; V78-L100 HydrophobicContact CG1-CB 4.22Å; L93-L100 HydrophobicContact CB-CD1 3.99Å; L94-L100 HydrophobicContact CD2-CB 4.24Å; D97-L100 HydrophobicContact CB-CD1 3.93Å; D97-L100 HydrophobicContact CB-CG 3.93Å; D97-L100 WeakPolarHBondContact O-CB 3.27Å; D97-L100 WeakPolarHBondContact O-CG 3.44Å; D97-L100 PolarHBondContact O-N 3.21Å; P98-L100 PolarHBondContact O-N 3.35Å; L100-H102 PolarHBondContact O-N 3.12Å; L100-H102 VanDerWaalsContact O-N 3.14Å; L100-C103 PolarHBondContact O-N 3.42Å; L100-C103 VanDerWaalsContact O-N 3.13Å; L100-C103 PolarHBondContact O-SG 3.42Å
101	V	91.3	Very high	91.5	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62	-22	175.4	80.4	0	0	0	0	113.1	L94 P98 L99 L127 A130	L94-V101 HydrophobicContact CD2-CB 3.83Å; L94-V101 HydrophobicContact CD2-CG2 4.41Å; P98-V101 VanDerWaalsContact O-CG1 3.27Å; P98-V101 WeakPolarHBondContact O-CG1 3.45Å; P98-V101 PolarHBondContact O-N 2.63Å; L99-V101 PolarHBondContact O-N 3.13Å; V101-L127 HydrophobicContact CG2-CD2 4.16Å; V101-A130 HydrophobicContact CG2-CB 3.95Å
102	H	90.4	Very high	91.6	Very high	96 Å²	96	56.4 Å²	56.4	44%	0.444	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-105.9	3.3	-179.5	-58.9	-56.8	0	0	0	113.4	L99 L100 G131	L99-H102 PolarHBondContact O-N 2.8Å; L100-H102 PolarHBondContact O-N 3.12Å; L100-H102 VanDerWaalsContact O-N 3.14Å; H102-G131 PolarHBondContact CE1-O 3.27Å
103	C	90.9	Very high	91.6	Very high	13 Å²	13	49.5 Å²	49.5	9%	0.088	29%	0.287	C	S	.	.			trans	-67.7	158.8	175.6	77.5	0	0	0	0	111	K75 V78 L100 T110 P111	K75-C103 HydrophobicContact CB-CB 4.36Å; K75-C103 HydrophobicContact CD-CB 4.47Å; K75-C103 HydrophobicContact CG-CB 4.1Å; V78-C103 WeakPolarHBondContact CG1-SG 3.33Å; L100-C103 PolarHBondContact O-N 3.42Å; L100-C103 VanDerWaalsContact O-N 3.13Å; L100-C103 PolarHBondContact O-SG 3.42Å; C103-T110 WeakPolarHBondContact O-CA 3.48Å; C103-P111 WeakPolarHBondContact O-CD 3.44Å
104	C	91.5	Very high	91.7	Very high	61 Å²	61	52 Å²	52	41%	0.412	30%	0.295	S	S	.	.			trans	-145.4	158.1	174.4	63.8	0	0	0	0	110.4	Y109 T110	C104-Y109 CarbonylContact C-O 3.54Å; C104-Y109 WeakPolarHBondContact CA-O 3.46Å; C104-T110 HydrophobicContact CB-CG2 4.19Å
105	D	90.9	Very high	91.8	Very high	35 Å²	35	51.1 Å²	51.1	19%	0.187	29%	0.291	C	S	.	.			trans	-76.8	-177	167.9	63.2	15.7	0	0	0	111.9	L79 D107 G108 Y109 R114	L79-D105 HydrophobicContact CD1-CB 4.04Å; D105-D107 PolarHBondContact O-N 3.24Å; D105-D107 PolarHBondContact OD1-N 2.96Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D105-G108 PolarHBondContact O-N 3.1Å; D105-G108 PolarHBondContact OD1-N 3.47Å; D105-Y109 PolarHBondContact N-O 3.45Å; D105-Y109 WeakPolarHBondContact OD1-CB 3.46Å; D105-Y109 PolarHBondContact OD1-N 3.49Å; D105-Y109 WeakPolarHBondContact OD2-CB 3.46Å; D105-R114 IonicContact OD2-CZ 2.82Å; D105-R114 IonicContact OD2-NE 3.02Å; D105-R114 IonicContact OD2-NH2 3.13Å; D105-R114 PolarHBondContact OD2-NH2 3.16Å
106	E	90.1	Very high	91.7	Very high	192 Å²	192	47 Å²	47	90%	0.897	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.5	-179.7	-60.1	-169.8	159.5	0	0	112.8	G108	E106-G108 VanDerWaalsContact C-N 3.34Å
107	D	88.9	Confident	91.6	Very high	94 Å²	94	47.4 Å²	47.4	50%	0.503	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.6	177.8	-64.1	-42.9	0	0	0	112.5	D105 Y109 T138 V139	D105-D107 PolarHBondContact O-N 3.24Å; D105-D107 PolarHBondContact OD1-N 2.96Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D107-Y109 HydrophobicContact CB-CD2 3.63Å; D107-Y109 HydrophobicContact CB-CE2 3.65Å; D107-T138 WeakPolarHBondContact O-CB 3.44Å; D107-V139 WeakPolarHBondContact O-CB 3.5Å; D107-V139 WeakPolarHBondContact O-CG2 3.48Å; D107-V139 PolarHBondContact O-N 3.4Å
108	G	91	Very high	91.3	Very high	9 Å²	9	45.8 Å²	45.8	9%	0.093	23%	0.234	C	C	.	.			trans	83.9	14.4	178.4	0	0	0	0	0	114.8	D105 E106 T110	D105-G108 PolarHBondContact O-N 3.1Å; D105-G108 PolarHBondContact OD1-N 3.47Å; E106-G108 VanDerWaalsContact C-N 3.34Å; G108-T110 PolarHBondContact O-N 3.45Å
109	Y	92	Very high	91.2	Very high	49 Å²	49	42.4 Å²	42.4	19%	0.192	22%	0.215	C	C	.	.			trans	-75.2	124	172.3	-65.3	-89.3	0	0	0	110.6	L79 C104 D105 D107 H113 T138	L79-Y109 WeakPolarHBondContact CD2-O 3.34Å; C104-Y109 CarbonylContact C-O 3.54Å; C104-Y109 WeakPolarHBondContact CA-O 3.46Å; D105-Y109 PolarHBondContact N-O 3.45Å; D105-Y109 WeakPolarHBondContact OD1-CB 3.46Å; D105-Y109 PolarHBondContact OD1-N 3.49Å; D105-Y109 WeakPolarHBondContact OD2-CB 3.46Å; D107-Y109 HydrophobicContact CB-CD2 3.63Å; D107-Y109 HydrophobicContact CB-CE2 3.65Å; Y109-H113 HydrophobicContact CD1-CB 3.72Å; Y109-H113 HydrophobicContact CG-CB 4.44Å; Y109-T138 HydrophobicContact CD1-CG2 3.73Å; Y109-T138 HydrophobicContact CD2-CG2 4.4Å; Y109-T138 HydrophobicContact CE1-CG2 3.84Å; Y109-T138 HydrophobicContact CE2-CG2 4.47Å; Y109-T138 HydrophobicContact CG-CG2 4.02Å
110	T	93.9	Very high	91.2	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.025	19%	0.19	C	C	.	.			trans	-88.5	167.1	174.3	66.6	0	0	0	0	111.2	L79 C103 C104 G108 L112 H113 R114 H136	L79-T110 VanDerWaalsContact CD2-C 3.47Å; C103-T110 WeakPolarHBondContact O-CA 3.48Å; C104-T110 HydrophobicContact CB-CG2 4.19Å; G108-T110 PolarHBondContact O-N 3.45Å; T110-L112 PolarHBondContact O-N 3.3Å; T110-L112 VanDerWaalsContact O-N 3.09Å; T110-H113 PolarHBondContact N-ND1 3.5Å; T110-H113 WeakPolarHBondContact O-CA 3.44Å; T110-H113 WeakPolarHBondContact O-CB 3.42Å; T110-H113 PolarHBondContact O-N 3.4Å; T110-H113 PolarHBondContact OG1-ND1 3.15Å; T110-R114 PolarHBondContact O-N 3.09Å; T110-R114 VanDerWaalsContact O-N 3.15Å; T110-H136 HydrophobicContact CG2-CB 4.25Å; T110-H136 WeakPolarHBondContact CG2-CD2 3.47Å
111	P	93.5	Very high	91.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.8	-33.2	174	-28.5	35.6	0	0	0	112.6	V78 L79 A82 C103 H113 R114 A115 L127	V78-P111 HydrophobicContact CG1-CG 3.97Å; V78-P111 HydrophobicContact CG2-CB 4.42Å; V78-P111 HydrophobicContact CG2-CG 4.15Å; L79-P111 HydrophobicContact CD2-CB 4.49Å; L79-P111 HydrophobicContact CD2-CG 3.88Å; L79-P111 HydrophobicContact CG-CG 4.45Å; A82-P111 HydrophobicContact CB-CB 3.97Å; A82-P111 WeakPolarHBondContact CB-O 3.39Å; C103-P111 WeakPolarHBondContact O-CD 3.44Å; P111-H113 PolarHBondContact O-N 3.4Å; P111-R114 PolarHBondContact O-N 3Å; P111-A115 WeakPolarHBondContact O-CB 3.48Å; P111-A115 PolarHBondContact O-N 3.37Å; P111-L127 HydrophobicContact CB-CD1 3.9Å; P111-L127 HydrophobicContact CB-CD2 3.91Å
112	L	94.8	Very high	91.1	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.6	-35.6	176.5	-174.4	63.5	0	0	0	112.3	T110 A116 V124 L127 L128 P144 L160	T110-L112 PolarHBondContact O-N 3.3Å; T110-L112 VanDerWaalsContact O-N 3.09Å; L112-A116 WeakPolarHBondContact O-CB 3.23Å; L112-A116 PolarHBondContact O-N 2.93Å; L112-V124 HydrophobicContact CD1-CB 4.38Å; L112-V124 HydrophobicContact CD1-CG1 3.93Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å; L112-L127 HydrophobicContact CB-CD1 4.48Å; L112-L127 HydrophobicContact CD1-CB 4.25Å; L112-L128 HydrophobicContact CD1-CD2 4.18Å; L112-L128 HydrophobicContact CD1-CG 4.09Å; L112-L128 HydrophobicContact CD2-CD2 3.86Å; L112-P144 HydrophobicContact CB-CG 4.43Å; L112-P144 HydrophobicContact CD2-CB 4.2Å; L112-P144 HydrophobicContact CD2-CG 3.8Å; L112-P144 HydrophobicContact CG-CB 3.97Å; L112-P144 HydrophobicContact CG-CG 3.9Å; L112-L160 HydrophobicContact CD1-CD2 4.17Å; L112-L160 HydrophobicContact CD2-CD2 4.21Å; L112-L160 HydrophobicContact CG-CD2 4.36Å
113	H	93.4	Very high	91.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-68.1	-41.7	174	-69.6	85.6	0	0	0	111.9	Y109 T110 P111 A116 Y117 H136 W142 P144	Y109-H113 HydrophobicContact CD1-CB 3.72Å; Y109-H113 HydrophobicContact CG-CB 4.44Å; T110-H113 PolarHBondContact N-ND1 3.5Å; T110-H113 WeakPolarHBondContact O-CA 3.44Å; T110-H113 WeakPolarHBondContact O-CB 3.42Å; T110-H113 PolarHBondContact O-N 3.4Å; T110-H113 PolarHBondContact OG1-ND1 3.15Å; P111-H113 PolarHBondContact O-N 3.4Å; H113-A116 PolarHBondContact O-N 3.36Å; H113-Y117 WeakPolarHBondContact O-CB 3.25Å; H113-Y117 PolarHBondContact O-N 3.46Å; H113-H136 PolarHBondContact CE1-O 3.15Å; H113-H136 PolarHBondContact NE2-O 3.07Å; H113-W142 PolarHBondContact NE2-O 3.18Å; H113-P144 VanDerWaalsContact NE2-CD 3.32Å; H113-P144 WeakPolarHBondContact NE2-CD 3.33Å
114	R	92.9	Very high	91.4	Very high	64 Å²	64	37.8 Å²	37.8	24%	0.242	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-46.5	178.4	-65.2	-62.5	-176	161.9	-10.9	111.4	L79 A82 E83 D105 T110 P111 A116 Y117 S118	L79-R114 HydrophobicContact CB-CG 4.48Å; L79-R114 HydrophobicContact CD2-CG 4.1Å; A82-R114 HydrophobicContact CB-CB 4.39Å; E83-R114 HydrophobicContact CB-CB 4.13Å; E83-R114 IonicContact OE1-NH1 2.72Å; E83-R114 WeakPolarHBondContact OE2-CD 3.19Å; E83-R114 IonicContact OE2-CZ 3.45Å; E83-R114 IonicContact OE2-NE 2.87Å; E83-R114 IonicContact OE2-NH1 3.29Å; E83-R114 PolarHBondContact OE2-NH1 2.98Å; D105-R114 IonicContact OD2-CZ 2.82Å; D105-R114 IonicContact OD2-NE 3.02Å; D105-R114 IonicContact OD2-NH2 3.13Å; D105-R114 PolarHBondContact OD2-NH2 3.16Å; T110-R114 PolarHBondContact O-N 3.09Å; T110-R114 VanDerWaalsContact O-N 3.15Å; P111-R114 PolarHBondContact O-N 3Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.94Å; R114-Y117 WeakPolarHBondContact O-CB 3.44Å; R114-Y117 PolarHBondContact O-N 3.31Å; R114-S118 PolarHBondContact O-N 2.91Å; R114-S118 VanDerWaalsContact O-N 3.09Å; R114-S118 PolarHBondContact O-OG 3.21Å
115	A	93.3	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-36.8	173.5	0	0	0	0	0	112.5	A82 P111 G119 H120 V123 V124 L127	A82-A115 HydrophobicContact CB-CB 4.32Å; A82-A115 WeakPolarHBondContact O-CA 3.36Å; P111-A115 WeakPolarHBondContact O-CB 3.48Å; P111-A115 PolarHBondContact O-N 3.37Å; A115-G119 PolarHBondContact O-N 3.1Å; A115-H120 PolarHBondContact O-N 3.35Å; A115-H120 VanDerWaalsContact O-N 3.15Å; A115-V123 HydrophobicContact CB-CB 4.16Å; A115-V123 HydrophobicContact CB-CG1 3.72Å; A115-V124 HydrophobicContact CB-CG2 3.67Å; A115-L127 HydrophobicContact CB-CD1 4.04Å
116	A	91.5	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-73.5	-27.8	177.2	0	0	0	0	0	114	L112 H113 R114 P144 A148 H153 V156 L160	L112-A116 WeakPolarHBondContact O-CB 3.23Å; L112-A116 PolarHBondContact O-N 2.93Å; H113-A116 PolarHBondContact O-N 3.36Å; R114-A116 VanDerWaalsContact C-N 3.29Å; R114-A116 PolarHBondContact O-N 2.94Å; A116-P144 HydrophobicContact CB-CB 4.23Å; A116-P144 WeakPolarHBondContact CB-O 3.46Å; A116-A148 HydrophobicContact CB-CB 4.38Å; A116-H153 PolarHBondContact O-CD2 3.42Å; A116-V156 HydrophobicContact CB-CG1 3.9Å; A116-L160 HydrophobicContact CB-CD1 4.37Å
117	Y	89.3	Confident	91.7	Very high	94 Å²	94	30.4 Å²	30.4	37%	0.369	15%	0.15	S	C	.	.	H	α-helix	trans	-67.3	-47.6	172	169.7	-87.8	0	0	0	111.1	H113 R114 W151 H153	H113-Y117 WeakPolarHBondContact O-CB 3.25Å; H113-Y117 PolarHBondContact O-N 3.46Å; R114-Y117 WeakPolarHBondContact O-CB 3.44Å; R114-Y117 PolarHBondContact O-N 3.31Å; Y117-W151 AromaticContact CD2-CD1 3.51Å; Y117-W151 HydrophobicContact CD2-CD2 4.5Å; Y117-W151 AromaticContact CD2-CE2 3.71Å; Y117-W151 HydrophobicContact CD2-CG 4.41Å; Y117-W151 HydrophobicContact CD2-CZ2 4.25Å; Y117-W151 AromaticContact CD2-NE1 3.03Å; Y117-W151 AromaticContact CE2-CD1 3.95Å; Y117-W151 HydrophobicContact CE2-CD2 4.21Å; Y117-W151 AromaticContact CE2-CE2 3.27Å; Y117-W151 HydrophobicContact CE2-CH2 4.36Å; Y117-W151 AromaticContact CE2-CZ2 3.38Å; Y117-W151 HydrophobicContact CE2-CZ2 3.38Å; Y117-W151 AromaticContact CE2-NE1 3.13Å; Y117-H153 PolarHBondContact O-CD2 2.95Å; Y117-H153 VanDerWaalsContact O-CD2 3.28Å; Y117-H153 PolarHBondContact O-NE2 3.47Å
118	S	85.8	Confident	91.8	Very high	29 Å²	29	26.6 Å²	26.6	20%	0.203	13%	0.129	C	C	.	.	H	α-helix	trans	-80.3	-17.2	-179.3	-52.3	0	0	0	0	114	E83 R114 H120	E83-S118 WeakPolarHBondContact CG-OG 3.49Å; E83-S118 VanDerWaalsContact O-CB 3.22Å; E83-S118 WeakPolarHBondContact O-CB 3.4Å; E83-S118 PolarHBondContact O-OG 3.12Å; R114-S118 PolarHBondContact O-N 2.91Å; R114-S118 VanDerWaalsContact O-N 3.09Å; R114-S118 PolarHBondContact O-OG 3.21Å; S118-H120 VanDerWaalsContact CB-CD2 3.46Å; S118-H120 WeakPolarHBondContact CB-CD2 3.38Å; S118-H120 VanDerWaalsContact CB-NE2 3.25Å; S118-H120 WeakPolarHBondContact CB-NE2 3.13Å
119	G	87	Confident	91.9	Very high	16 Å²	16	30.4 Å²	30.4	17%	0.165	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	13.4	176.2	0	0	0	0	0	114.9	A115 V121 H153 V156	A115-G119 PolarHBondContact O-N 3.1Å; G119-V121 PolarHBondContact O-N 3.18Å; G119-H153 VanDerWaalsContact CA-CD2 3.44Å; G119-H153 WeakPolarHBondContact CA-CD2 3.48Å; G119-H153 VanDerWaalsContact CA-CG 3.43Å; G119-H153 PolarHBondContact N-NE2 3.1Å; G119-V156 WeakPolarHBondContact O-CG2 2.9Å
120	H	90.6	Very high	91.8	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.125	17%	0.17	C	C	.	.			trans	-78.5	92.1	-175.8	-56.3	-39.5	0	0	0	111.9	E83 N85 A115 S118 E122 V123 V124	E83-H120 PolarHBondContact O-CD2 3.36Å; E83-H120 PolarHBondContact O-NE2 3.17Å; N85-H120 PolarHBondContact N-CD2 3Å; N85-H120 VanDerWaalsContact N-CD2 3.25Å; N85-H120 PolarHBondContact N-NE2 2.75Å; A115-H120 PolarHBondContact O-N 3.35Å; A115-H120 VanDerWaalsContact O-N 3.15Å; S118-H120 VanDerWaalsContact CB-CD2 3.46Å; S118-H120 WeakPolarHBondContact CB-CD2 3.38Å; S118-H120 VanDerWaalsContact CB-NE2 3.25Å; S118-H120 WeakPolarHBondContact CB-NE2 3.13Å; H120-E122 VanDerWaalsContact C-N 3.34Å; H120-E122 PolarHBondContact O-N 3.32Å; H120-V123 HydrophobicContact CB-CB 4.02Å; H120-V123 HydrophobicContact CB-CG2 3.95Å; H120-V123 PolarHBondContact O-N 3.09Å; H120-V124 WeakPolarHBondContact O-CG2 3.35Å; H120-V124 PolarHBondContact O-N 3.15Å
121	V	90.3	Very high	91.5	Very high	23 Å²	23	32.3 Å²	32.3	14%	0.139	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-41.8	-174	-178.5	0	0	0	0	112.4	G119 V124 K125 A155 V156	G119-V121 PolarHBondContact O-N 3.18Å; V121-V124 WeakPolarHBondContact O-CB 3.42Å; V121-V124 PolarHBondContact O-N 3.42Å; V121-K125 HydrophobicContact CG1-CD 4.23Å; V121-K125 HydrophobicContact CG1-CG 4.5Å; V121-K125 WeakPolarHBondContact O-CG 3.15Å; V121-K125 PolarHBondContact O-N 2.8Å; V121-A155 HydrophobicContact CG2-CB 3.52Å; V121-V156 HydrophobicContact CG2-CG2 3.76Å
122	E	91.9	Very high	91.4	Very high	96 Å²	96	32.8 Å²	32.8	45%	0.449	19%	0.193	S	C	.	.	H	α-helix	trans	-67.6	-39	-178.1	-78.4	50.8	-120.5	0	0	111.6	L87 H120 K125 T126	L87-E122 HydrophobicContact CD2-CB 4.44Å; H120-E122 VanDerWaalsContact C-N 3.34Å; H120-E122 PolarHBondContact O-N 3.32Å; E122-K125 PolarHBondContact O-N 3.3Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; E122-T126 WeakPolarHBondContact O-CG2 3.29Å; E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 2.87Å
123	V	92.7	Very high	91.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66	-42.7	172.9	180	0	0	0	0	110.5	A82 L87 V90 A115 H120 K125 T126 L127	A82-V123 HydrophobicContact CB-CG1 4.07Å; L87-V123 HydrophobicContact CB-CG2 4.41Å; L87-V123 HydrophobicContact CD1-CG2 4.21Å; V90-V123 HydrophobicContact CG2-CG1 4.44Å; A115-V123 HydrophobicContact CB-CB 4.16Å; A115-V123 HydrophobicContact CB-CG1 3.72Å; H120-V123 HydrophobicContact CB-CB 4.02Å; H120-V123 HydrophobicContact CB-CG2 3.95Å; H120-V123 PolarHBondContact O-N 3.09Å; V123-K125 PolarHBondContact O-N 3.48Å; V123-T126 WeakPolarHBondContact CA-OG1 3.47Å; V123-T126 PolarHBondContact O-N 3.48Å; V123-T126 PolarHBondContact O-OG1 3.45Å; V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.32Å; V123-L127 WeakPolarHBondContact O-CB 3.28Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.36Å; V123-L127 PolarHBondContact O-N 3.23Å
124	V	93.8	Very high	91.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.8	-47.8	175.4	167.9	0	0	0	0	111.1	L112 A115 H120 V121 T126 L127 L128 V156 L160	L112-V124 HydrophobicContact CD1-CB 4.38Å; L112-V124 HydrophobicContact CD1-CG1 3.93Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å; A115-V124 HydrophobicContact CB-CG2 3.67Å; H120-V124 WeakPolarHBondContact O-CG2 3.35Å; H120-V124 PolarHBondContact O-N 3.15Å; V121-V124 WeakPolarHBondContact O-CB 3.42Å; V121-V124 PolarHBondContact O-N 3.42Å; V124-T126 VanDerWaalsContact C-N 3.34Å; V124-T126 PolarHBondContact O-N 3.46Å; V124-L127 PolarHBondContact O-N 3.21Å; V124-L128 HydrophobicContact CG1-CD1 3.64Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 WeakPolarHBondContact O-CG 3.39Å; V124-L128 PolarHBondContact O-N 3.4Å; V124-V156 HydrophobicContact CG1-CG1 4.36Å; V124-V156 HydrophobicContact CG2-CG1 3.95Å; V124-V156 HydrophobicContact CG2-CG2 4.26Å; V124-L160 HydrophobicContact CG1-CD2 4.24Å; V124-L160 HydrophobicContact CG1-CG 4.5Å
125	K	92.9	Very high	91.1	Very high	99 Å²	99	36.2 Å²	36.2	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-58.6	-44.1	177.6	-73.5	168	-175.2	158.7	0	112	V121 E122 V123 L128 A129	V121-K125 HydrophobicContact CG1-CD 4.23Å; V121-K125 HydrophobicContact CG1-CG 4.5Å; V121-K125 WeakPolarHBondContact O-CG 3.15Å; V121-K125 PolarHBondContact O-N 2.8Å; E122-K125 PolarHBondContact O-N 3.3Å; E122-K125 IonicContact OE1-NZ 3.99Å; E122-K125 PolarHBondContact OE1-NZ 2.98Å; V123-K125 PolarHBondContact O-N 3.48Å; K125-L128 PolarHBondContact O-N 3.03Å; K125-A129 WeakPolarHBondContact O-CB 3.27Å; K125-A129 PolarHBondContact O-N 3.49Å
126	T	92.9	Very high	91.1	Very high	34 Å²	34	39.2 Å²	39.2	21%	0.209	23%	0.234	C	C	.	.	H	α-helix	trans	-68.7	-40.4	-179.7	52.7	0	0	0	0	112.4	L87 L91 E122 V123 V124 A129 A130	L87-T126 HydrophobicContact CD1-CG2 3.74Å; L87-T126 WeakPolarHBondContact CD1-OG1 3.34Å; L91-T126 HydrophobicContact CD2-CG2 4.18Å; E122-T126 WeakPolarHBondContact O-CG2 3.29Å; E122-T126 PolarHBondContact O-N 3.32Å; E122-T126 PolarHBondContact O-OG1 2.87Å; V123-T126 WeakPolarHBondContact CA-OG1 3.47Å; V123-T126 PolarHBondContact O-N 3.48Å; V123-T126 PolarHBondContact O-OG1 3.45Å; V124-T126 VanDerWaalsContact C-N 3.34Å; V124-T126 PolarHBondContact O-N 3.46Å; T126-A129 PolarHBondContact O-N 2.93Å; T126-A130 WeakPolarHBondContact O-CB 3.47Å; T126-A130 PolarHBondContact O-N 3.33Å
127	L	92.4	Very high	91.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-41.2	174.6	-70.5	170.6	0	0	0	112.2	A82 V90 L94 V101 P111 L112 A115 V123 V124 A130 G131 S132	A82-L127 HydrophobicContact CB-CD1 4.32Å; V90-L127 HydrophobicContact CG1-CD2 4.08Å; L94-L127 HydrophobicContact CD1-CD2 4.06Å; V101-L127 HydrophobicContact CG2-CD2 4.16Å; P111-L127 HydrophobicContact CB-CD1 3.9Å; P111-L127 HydrophobicContact CB-CD2 3.91Å; L112-L127 HydrophobicContact CB-CD1 4.48Å; L112-L127 HydrophobicContact CD1-CB 4.25Å; A115-L127 HydrophobicContact CB-CD1 4.04Å; V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.32Å; V123-L127 WeakPolarHBondContact O-CB 3.28Å; V123-L127 VanDerWaalsContact O-CG 3.3Å; V123-L127 WeakPolarHBondContact O-CG 3.36Å; V123-L127 PolarHBondContact O-N 3.23Å; V124-L127 PolarHBondContact O-N 3.21Å; L127-A130 PolarHBondContact O-N 3.44Å; L127-G131 PolarHBondContact O-N 3.2Å; L127-S132 WeakPolarHBondContact O-CB 3.4Å; L127-S132 PolarHBondContact O-N 3.12Å
128	L	92.8	Very high	91.3	Very high	14 Å²	14	40.3 Å²	40.3	7%	0.073	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-43.1	175	-69.6	169.5	0	0	0	111.5	L112 V124 K125 A130 G131 V134 L160 H163	L112-L128 HydrophobicContact CD1-CD2 4.18Å; L112-L128 HydrophobicContact CD1-CG 4.09Å; L112-L128 HydrophobicContact CD2-CD2 3.86Å; V124-L128 HydrophobicContact CG1-CD1 3.64Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 WeakPolarHBondContact O-CB 3.35Å; V124-L128 WeakPolarHBondContact O-CG 3.39Å; V124-L128 PolarHBondContact O-N 3.4Å; K125-L128 PolarHBondContact O-N 3.03Å; L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 2.84Å; L128-G131 PolarHBondContact O-N 2.95Å; L128-G131 VanDerWaalsContact O-N 3.09Å; L128-V134 HydrophobicContact CD2-CB 4.26Å; L128-V134 HydrophobicContact CD2-CG1 4.16Å; L128-V134 HydrophobicContact CD2-CG2 3.5Å; L128-L160 HydrophobicContact CD1-CD2 4.35Å; L128-L160 HydrophobicContact CD2-CD2 4.42Å; L128-H163 HydrophobicContact CD1-CB 4.21Å; L128-H163 HydrophobicContact CD2-CB 4.26Å
129	A	91.9	Very high	91.6	Very high	89 Å²	89	43.6 Å²	43.6	74%	0.736	26%	0.257	S	S	*	.	H	α-helix	trans	-64.9	-31.9	175.8	0	0	0	0	0	112.7	K125 T126 G131	K125-A129 WeakPolarHBondContact O-CB 3.27Å; K125-A129 PolarHBondContact O-N 3.49Å; T126-A129 PolarHBondContact O-N 2.93Å; A129-G131 PolarHBondContact O-N 3.4Å
130	A	89.9	Confident	91.6	Very high	49 Å²	49	47 Å²	47	41%	0.405	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-0.9	174.5	0	0	0	0	0	113.7	L94 V101 T126 L127 L128	L94-A130 HydrophobicContact CD1-CB 3.94Å; V101-A130 HydrophobicContact CG2-CB 3.95Å; T126-A130 WeakPolarHBondContact O-CB 3.47Å; T126-A130 PolarHBondContact O-N 3.33Å; L127-A130 PolarHBondContact O-N 3.44Å; L128-A130 VanDerWaalsContact C-N 3.28Å; L128-A130 PolarHBondContact O-N 2.84Å
131	G	89.1	Confident	91.7	Very high	43 Å²	43	45.8 Å²	45.8	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.1	20	176.1	0	0	0	0	0	114.7	H102 L127 L128 A129	H102-G131 PolarHBondContact CE1-O 3.27Å; L127-G131 PolarHBondContact O-N 3.2Å; L128-G131 PolarHBondContact O-N 2.95Å; L128-G131 VanDerWaalsContact O-N 3.09Å; A129-G131 PolarHBondContact O-N 3.4Å
132	S	90.1	Very high	91.8	Very high	10 Å²	10	46.9 Å²	46.9	7%	0.07	27%	0.268	C	S	.	.			trans	-57.9	145.3	176	-162.4	0	0	0	0	112.5	L127 V134	L127-S132 WeakPolarHBondContact O-CB 3.4Å; L127-S132 PolarHBondContact O-N 3.12Å; S132-V134 PolarHBondContact O-N 3.13Å; S132-V134 VanDerWaalsContact O-N 3.15Å
133	V	91.7	Very high	91.8	Very high	70 Å²	70	42.4 Å²	42.4	42%	0.424	25%	0.247	S	C	.	.			trans	-79.7	101.2	179.1	-178	0	0	0	0	109.3	N135 H136	V133-N135 PolarHBondContact O-N 3.27Å; V133-N135 VanDerWaalsContact O-N 3.13Å; V133-H136 HydrophobicContact CB-CB 4.16Å; V133-H136 HydrophobicContact CG1-CB 4.15Å; V133-H136 WeakPolarHBondContact O-CB 3.14Å; V133-H136 PolarHBondContact O-N 2.91Å; V133-H136 VanDerWaalsContact O-N 3.08Å
134	V	92.3	Very high	91.9	Very high	22 Å²	22	42.4 Å²	42.4	13%	0.133	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	-175	-164.7	0	0	0	0	113.6	L128 S132 P144 L160 H163 A165	L128-V134 HydrophobicContact CD2-CB 4.26Å; L128-V134 HydrophobicContact CD2-CG1 4.16Å; L128-V134 HydrophobicContact CD2-CG2 3.5Å; S132-V134 PolarHBondContact O-N 3.13Å; S132-V134 VanDerWaalsContact O-N 3.15Å; V134-P144 VanDerWaalsContact O-CD 3.27Å; V134-P144 WeakPolarHBondContact O-CD 3.36Å; V134-P144 WeakPolarHBondContact O-CG 3.34Å; V134-L160 HydrophobicContact CG1-CD2 4.01Å; V134-H163 HydrophobicContact CG1-CB 4.48Å; V134-H163 HydrophobicContact CG2-CB 4.19Å; V134-A165 HydrophobicContact CG1-CB 3.81Å
135	N	91.5	Very high	91.8	Very high	45 Å²	45	42.4 Å²	42.4	24%	0.241	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	23.5	-176.8	-66	-58.2	0	0	0	112.7	V133 G164 A165 Q166	V133-N135 PolarHBondContact O-N 3.27Å; V133-N135 VanDerWaalsContact O-N 3.13Å; N135-G164 PolarHBondContact ND2-O 3.44Å; N135-A165 WeakPolarHBondContact OD1-CA 3.17Å; N135-Q166 PolarHBondContact OD1-N 3.45Å
136	H	92.4	Very high	91.7	Very high	64 Å²	64	37.7 Å²	37.7	30%	0.296	23%	0.226	S	C	.	.			trans	-58.1	142	176	-166.6	81.1	0	0	0	110	T110 H113 V133 T143	T110-H136 HydrophobicContact CG2-CB 4.25Å; T110-H136 WeakPolarHBondContact CG2-CD2 3.47Å; H113-H136 PolarHBondContact CE1-O 3.15Å; H113-H136 PolarHBondContact NE2-O 3.07Å; V133-H136 HydrophobicContact CB-CB 4.16Å; V133-H136 HydrophobicContact CG1-CB 4.15Å; V133-H136 WeakPolarHBondContact O-CB 3.14Å; V133-H136 PolarHBondContact O-N 2.91Å; V133-H136 VanDerWaalsContact O-N 3.08Å; H136-T143 WeakPolarHBondContact O-CA 3.32Å
137	R	92.8	Very high	91.5	Very high	108 Å²	108	36.2 Å²	36.2	41%	0.408	22%	0.217	S	C	.	.			trans	-111.4	126.6	-177.2	-68.6	178.5	68.7	98.3	1.3	109.5	W142 T143 Q170	R137-W142 CarbonylContact C-O 3.58Å; R137-W142 VanDerWaalsContact CA-O 3.24Å; R137-W142 WeakPolarHBondContact CA-O 3.17Å; R137-T143 HydrophobicContact CG-CG2 4.17Å; R137-Q170 PolarHBondContact NH1-O 3.09Å; R137-Q170 PolarHBondContact NH2-O 2.95Å
138	T	93.2	Very high	91.4	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	22%	0.217	C	C	.	.			trans	-67.7	176.4	170.2	70.5	0	0	0	0	111.1	D107 Y109 D140 G141 W142	D107-T138 WeakPolarHBondContact O-CB 3.44Å; Y109-T138 HydrophobicContact CD1-CG2 3.73Å; Y109-T138 HydrophobicContact CD2-CG2 4.4Å; Y109-T138 HydrophobicContact CE1-CG2 3.84Å; Y109-T138 HydrophobicContact CE2-CG2 4.47Å; Y109-T138 HydrophobicContact CG-CG2 4.02Å; T138-D140 PolarHBondContact O-N 3.36Å; T138-D140 PolarHBondContact OG1-N 3.48Å; T138-G141 WeakPolarHBondContact O-CA 3.39Å; T138-G141 PolarHBondContact O-N 2.92Å; T138-G141 PolarHBondContact OG1-N 2.92Å; T138-W142 HydrophobicContact CG2-CB 4Å; T138-W142 PolarHBondContact N-O 2.92Å; T138-W142 WeakPolarHBondContact OG1-CB 3.28Å; T138-W142 PolarHBondContact OG1-N 3.2Å
139	V	91.5	Very high	91.1	Very high	97 Å²	97	35.6 Å²	35.6	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-37.9	174.7	173.9	0	0	0	0	111.4	D107 G141 N172	D107-V139 WeakPolarHBondContact O-CB 3.5Å; D107-V139 WeakPolarHBondContact O-CG2 3.48Å; D107-V139 PolarHBondContact O-N 3.4Å; V139-G141 PolarHBondContact O-N 3.26Å; V139-N172 PolarHBondContact O-ND2 3.04Å
140	D	88.1	Confident	90.7	Very high	88 Å²	88	34.4 Å²	34.4	47%	0.471	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	0.6	175.7	-69.5	-36.3	0	0	0	114.1	T138 W142 N172	T138-D140 PolarHBondContact O-N 3.36Å; T138-D140 PolarHBondContact OG1-N 3.48Å; D140-W142 VanDerWaalsContact C-N 3.34Å; D140-N172 VanDerWaalsContact C-CG 3.43Å; D140-N172 VanDerWaalsContact C-ND2 3.35Å; D140-N172 WeakPolarHBondContact O-CB 3.47Å; D140-N172 VanDerWaalsContact O-CG 3.26Å; D140-N172 PolarHBondContact O-N 3.16Å
141	G	90.8	Very high	90.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.01	19%	0.187	C	C	.	.			trans	77.6	17.4	-178.5	0	0	0	0	0	114.1	T138 V139 T171	T138-G141 WeakPolarHBondContact O-CA 3.39Å; T138-G141 PolarHBondContact O-N 2.92Å; T138-G141 PolarHBondContact OG1-N 2.92Å; V139-G141 PolarHBondContact O-N 3.26Å; G141-T171 WeakPolarHBondContact O-CA 3.49Å
142	W	92.3	Very high	90	Very high	47 Å²	47	34.8 Å²	34.8	18%	0.178	17%	0.17	C	C	.	.			trans	-71.4	145.4	174.9	-72.9	54.9	0	0	0	110.2	H113 R137 T138 D140 H146 R150 T171 L180	H113-W142 PolarHBondContact NE2-O 3.18Å; R137-W142 CarbonylContact C-O 3.58Å; R137-W142 VanDerWaalsContact CA-O 3.24Å; R137-W142 WeakPolarHBondContact CA-O 3.17Å; T138-W142 HydrophobicContact CG2-CB 4Å; T138-W142 PolarHBondContact N-O 2.92Å; T138-W142 WeakPolarHBondContact OG1-CB 3.28Å; T138-W142 PolarHBondContact OG1-N 3.2Å; D140-W142 VanDerWaalsContact C-N 3.34Å; W142-H146 HydrophobicContact CB-CB 4.43Å; W142-H146 HydrophobicContact CD2-CB 4.22Å; W142-H146 HydrophobicContact CE3-CB 3.74Å; W142-H146 HydrophobicContact CZ3-CB 4.37Å; W142-R150 HydrophobicContact CH2-CB 4.4Å; W142-R150 HydrophobicContact CH2-CG 4.14Å; W142-R150 HydrophobicContact CZ3-CB 4.08Å; W142-R150 HydrophobicContact CZ3-CG 4.22Å; W142-T171 HydrophobicContact CG-CG2 4.23Å; W142-L180 HydrophobicContact CE3-CD1 4.14Å; W142-L180 HydrophobicContact CH2-CD1 3.75Å; W142-L180 HydrophobicContact CH2-CD2 4.17Å; W142-L180 HydrophobicContact CZ2-CD1 4.19Å; W142-L180 HydrophobicContact CZ2-CD2 4.27Å; W142-L180 HydrophobicContact CZ3-CD1 3.72Å
143	T	93.8	Very high	89.8	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	18%	0.178	C	C	.	.			trans	-111.6	163.7	170.4	68.5	0	0	0	0	109.2	H136 R137 L145 H146 S147 A169	H136-T143 WeakPolarHBondContact O-CA 3.32Å; R137-T143 HydrophobicContact CG-CG2 4.17Å; T143-L145 PolarHBondContact O-N 3.35Å; T143-L145 VanDerWaalsContact O-N 3.1Å; T143-H146 PolarHBondContact N-ND1 3.06Å; T143-H146 VanDerWaalsContact N-ND1 3.12Å; T143-H146 WeakPolarHBondContact O-CA 3.2Å; T143-H146 VanDerWaalsContact O-CB 3.29Å; T143-H146 WeakPolarHBondContact O-CB 3.48Å; T143-H146 PolarHBondContact O-N 3.29Å; T143-H146 PolarHBondContact OG1-ND1 2.85Å; T143-S147 PolarHBondContact O-N 3.14Å; T143-A169 HydrophobicContact CG2-CB 4.03Å
144	P	92.9	Very high	89.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-55.5	-32.4	176.6	-26.5	35.3	0	0	0	112.9	L112 H113 A116 V134 S147 A148 L160	L112-P144 HydrophobicContact CB-CG 4.43Å; L112-P144 HydrophobicContact CD2-CB 4.2Å; L112-P144 HydrophobicContact CD2-CG 3.8Å; L112-P144 HydrophobicContact CG-CB 3.97Å; L112-P144 HydrophobicContact CG-CG 3.9Å; H113-P144 VanDerWaalsContact NE2-CD 3.32Å; H113-P144 WeakPolarHBondContact NE2-CD 3.33Å; A116-P144 HydrophobicContact CB-CB 4.23Å; A116-P144 WeakPolarHBondContact CB-O 3.46Å; V134-P144 VanDerWaalsContact O-CD 3.27Å; V134-P144 WeakPolarHBondContact O-CD 3.36Å; V134-P144 WeakPolarHBondContact O-CG 3.34Å; P144-S147 PolarHBondContact O-N 3.1Å; P144-A148 PolarHBondContact O-N 3.3Å; P144-L160 HydrophobicContact CB-CD1 3.99Å; P144-L160 HydrophobicContact CB-CD2 4.1Å
145	L	92.6	Very high	89	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-66.4	-36.3	175.2	-174.7	64.1	0	0	0	112.2	T143 S147 A148 C149 A157 L160 L161 A165 P177	T143-L145 PolarHBondContact O-N 3.35Å; T143-L145 VanDerWaalsContact O-N 3.1Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 2.88Å; L145-A148 PolarHBondContact O-N 3.29Å; L145-C149 WeakPolarHBondContact O-CB 3.48Å; L145-C149 PolarHBondContact O-N 3.02Å; L145-C149 PolarHBondContact O-SG 2.73Å; L145-A157 HydrophobicContact CD1-CB 3.88Å; L145-L160 HydrophobicContact CB-CD1 4.37Å; L145-L160 HydrophobicContact CD1-CB 4.43Å; L145-L160 HydrophobicContact CD1-CD1 4.47Å; L145-L161 HydrophobicContact CD1-CG 4.36Å; L145-L161 HydrophobicContact CD2-CD2 3.8Å; L145-L161 HydrophobicContact CD2-CG 4.49Å; L145-A165 HydrophobicContact CB-CB 4.35Å; L145-A165 HydrophobicContact CD2-CB 4.21Å; L145-P177 HydrophobicContact CD2-CB 4.4Å; L145-P177 HydrophobicContact CD2-CG 3.97Å; L145-P177 HydrophobicContact CG-CB 4.22Å; L145-P177 HydrophobicContact CG-CG 4.09Å
146	H	90.9	Very high	88.9	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.4	-44.8	173.5	-71.9	97.9	0	0	0	111.1	W142 T143 C149 R150 A169 L175 P177 L180	W142-H146 HydrophobicContact CB-CB 4.43Å; W142-H146 HydrophobicContact CD2-CB 4.22Å; W142-H146 HydrophobicContact CE3-CB 3.74Å; W142-H146 HydrophobicContact CZ3-CB 4.37Å; T143-H146 PolarHBondContact N-ND1 3.06Å; T143-H146 VanDerWaalsContact N-ND1 3.12Å; T143-H146 WeakPolarHBondContact O-CA 3.2Å; T143-H146 VanDerWaalsContact O-CB 3.29Å; T143-H146 WeakPolarHBondContact O-CB 3.48Å; T143-H146 PolarHBondContact O-N 3.29Å; T143-H146 PolarHBondContact OG1-ND1 2.85Å; H146-C149 PolarHBondContact O-N 3.35Å; H146-R150 VanDerWaalsContact O-CB 3.28Å; H146-R150 WeakPolarHBondContact O-CB 3.46Å; H146-R150 PolarHBondContact O-N 3.32Å; H146-A169 PolarHBondContact CE1-O 3.08Å; H146-A169 PolarHBondContact NE2-O 2.73Å; H146-A169 VanDerWaalsContact NE2-O 3.17Å; H146-L175 PolarHBondContact NE2-O 3.49Å; H146-P177 WeakPolarHBondContact NE2-CD 3.32Å; H146-L180 HydrophobicContact CB-CD1 3.55Å
147	S	89.8	Confident	88.7	Confident	3 Å²	3	32.1 Å²	32.1	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-49.3	176	-56.8	0	0	0	0	111.6	T143 P144 L145 C149 R150 W151	T143-S147 PolarHBondContact O-N 3.14Å; P144-S147 PolarHBondContact O-N 3.1Å; L145-S147 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 2.88Å; S147-C149 VanDerWaalsContact C-N 3.32Å; S147-C149 PolarHBondContact O-N 3.43Å; S147-R150 PolarHBondContact O-N 2.99Å; S147-W151 PolarHBondContact O-N 3Å; S147-W151 VanDerWaalsContact O-N 3.16Å
148	A	89.4	Confident	88.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-40.6	179.2	0	0	0	0	0	112.5	A116 P144 L145 S152 H153 V156 A157 L160	A116-A148 HydrophobicContact CB-CB 4.38Å; P144-A148 PolarHBondContact O-N 3.3Å; L145-A148 PolarHBondContact O-N 3.29Å; A148-S152 PolarHBondContact O-N 3.31Å; A148-S152 VanDerWaalsContact O-N 3.12Å; A148-H153 HydrophobicContact CB-CB 4.49Å; A148-H153 PolarHBondContact O-N 3.36Å; A148-V156 HydrophobicContact CB-CB 4.22Å; A148-V156 HydrophobicContact CB-CG1 3.76Å; A148-A157 HydrophobicContact CB-CB 4.26Å; A148-L160 HydrophobicContact CB-CD1 4.13Å
149	C	86.4	Confident	88.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-73.9	-34	179.4	-67.9	0	0	0	0	113.1	L145 H146 S147 W151 P177 A181 V195 L199	L145-C149 WeakPolarHBondContact O-CB 3.48Å; L145-C149 PolarHBondContact O-N 3.02Å; L145-C149 PolarHBondContact O-SG 2.73Å; H146-C149 PolarHBondContact O-N 3.35Å; S147-C149 VanDerWaalsContact C-N 3.32Å; S147-C149 PolarHBondContact O-N 3.43Å; C149-W151 VanDerWaalsContact C-N 3.31Å; C149-P177 HydrophobicContact CB-CB 4.02Å; C149-A181 HydrophobicContact CB-CB 4.39Å; C149-V195 HydrophobicContact CB-CG2 4.49Å; C149-L199 HydrophobicContact CB-CD1 4.39Å
150	R	84.2	Confident	88.2	Confident	64 Å²	64	23.9 Å²	23.9	24%	0.242	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-40.4	174.9	178.8	64.3	172.3	-177.2	-4.9	111.5	W142 H146 S147 L180 S183 H184	W142-R150 HydrophobicContact CH2-CB 4.4Å; W142-R150 HydrophobicContact CH2-CG 4.14Å; W142-R150 HydrophobicContact CZ3-CB 4.08Å; W142-R150 HydrophobicContact CZ3-CG 4.22Å; H146-R150 VanDerWaalsContact O-CB 3.28Å; H146-R150 WeakPolarHBondContact O-CB 3.46Å; H146-R150 PolarHBondContact O-N 3.32Å; S147-R150 PolarHBondContact O-N 2.99Å; R150-L180 HydrophobicContact CB-CB 4.36Å; R150-S183 PolarHBondContact NH1-OG 3.41Å; R150-H184 PolarHBondContact NE-CD2 3.27Å; R150-H184 PolarHBondContact NE-CE1 3.23Å; R150-H184 VanDerWaalsContact NE-CE1 3.25Å; R150-H184 PolarHBondContact NE-ND1 2.9Å; R150-H184 PolarHBondContact NE-NE2 3.44Å; R150-H184 PolarHBondContact NH1-ND1 2.76Å; R150-H184 PolarHBondContact NH2-CE1 3.48Å; R150-H184 PolarHBondContact NH2-ND1 3.24Å; R150-H184 WeakPolarHBondContact O-CB 3.44Å; R150-H184 PolarHBondContact O-CD2 3.16Å
151	W	82.6	Confident	88.2	Confident	90 Å²	90	21.5 Å²	21.5	34%	0.341	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.1	-175.9	-61.3	107.3	0	0	0	114.2	Y117 S147 C149 H153	Y117-W151 AromaticContact CD2-CD1 3.51Å; Y117-W151 HydrophobicContact CD2-CD2 4.5Å; Y117-W151 AromaticContact CD2-CE2 3.71Å; Y117-W151 HydrophobicContact CD2-CG 4.41Å; Y117-W151 HydrophobicContact CD2-CZ2 4.25Å; Y117-W151 AromaticContact CD2-NE1 3.03Å; Y117-W151 AromaticContact CE2-CD1 3.95Å; Y117-W151 HydrophobicContact CE2-CD2 4.21Å; Y117-W151 AromaticContact CE2-CE2 3.27Å; Y117-W151 HydrophobicContact CE2-CH2 4.36Å; Y117-W151 AromaticContact CE2-CZ2 3.38Å; Y117-W151 HydrophobicContact CE2-CZ2 3.38Å; Y117-W151 AromaticContact CE2-NE1 3.13Å; S147-W151 PolarHBondContact O-N 3Å; S147-W151 VanDerWaalsContact O-N 3.16Å; C149-W151 VanDerWaalsContact C-N 3.31Å; W151-H153 VanDerWaalsContact C-N 3.33Å; W151-H153 PolarHBondContact O-N 3.1Å
152	S	81.8	Confident	88.1	Confident	11 Å²	11	28.6 Å²	28.6	8%	0.077	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	29.7	173.3	-51.9	0	0	0	0	115.5	A148 V154 T192	A148-S152 PolarHBondContact O-N 3.31Å; A148-S152 VanDerWaalsContact O-N 3.12Å; S152-V154 PolarHBondContact O-N 2.89Å; S152-V154 VanDerWaalsContact O-N 3.15Å; S152-T192 WeakPolarHBondContact OG-CA 3.35Å; S152-T192 WeakPolarHBondContact OG-CB 3.26Å; S152-T192 VanDerWaalsContact OG-CG2 3.32Å; S152-T192 WeakPolarHBondContact OG-CG2 3.39Å; S152-T192 PolarHBondContact OG-OG1 2.74Å
153	H	85	Confident	87.9	Confident	53 Å²	53	30.7 Å²	30.7	25%	0.245	16%	0.157	C	C	.	.			trans	-86.7	80.9	179.7	-63.6	-52.7	0	0	0	111.9	A116 Y117 G119 A148 W151 A155 V156 A157	A116-H153 PolarHBondContact O-CD2 3.42Å; Y117-H153 PolarHBondContact O-CD2 2.95Å; Y117-H153 VanDerWaalsContact O-CD2 3.28Å; Y117-H153 PolarHBondContact O-NE2 3.47Å; G119-H153 VanDerWaalsContact CA-CD2 3.44Å; G119-H153 WeakPolarHBondContact CA-CD2 3.48Å; G119-H153 VanDerWaalsContact CA-CG 3.43Å; G119-H153 PolarHBondContact N-NE2 3.1Å; A148-H153 HydrophobicContact CB-CB 4.49Å; A148-H153 PolarHBondContact O-N 3.36Å; W151-H153 VanDerWaalsContact C-N 3.33Å; W151-H153 PolarHBondContact O-N 3.1Å; H153-A155 PolarHBondContact O-N 2.68Å; H153-V156 HydrophobicContact CB-CB 4Å; H153-V156 HydrophobicContact CB-CG2 4.15Å; H153-V156 PolarHBondContact O-N 2.72Å; H153-A157 WeakPolarHBondContact O-CB 3.38Å; H153-A157 PolarHBondContact O-N 2.92Å
154	V	82.5	Confident	87.6	Confident	42 Å²	42	32.9 Å²	32.9	26%	0.255	18%	0.179	S	C	.	.	H	α-helix	trans	-58.8	-44.6	-175.6	-173.6	0	0	0	0	112.7	S152 V156 A157 S158 H194 V195 F198	S152-V154 PolarHBondContact O-N 2.89Å; S152-V154 VanDerWaalsContact O-N 3.15Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.33Å; V154-A157 PolarHBondContact O-N 2.95Å; V154-S158 WeakPolarHBondContact O-CB 3.48Å; V154-S158 PolarHBondContact O-N 3.35Å; V154-H194 HydrophobicContact CG2-CB 3.77Å; V154-V195 HydrophobicContact CG2-CB 3.91Å; V154-V195 HydrophobicContact CG2-CG2 4.44Å; V154-F198 HydrophobicContact CG1-CB 3.92Å; V154-F198 HydrophobicContact CG1-CD1 4.37Å; V154-F198 HydrophobicContact CG1-CD2 4.01Å; V154-F198 HydrophobicContact CG1-CG 3.84Å
155	A	85.4	Confident	87.4	Confident	59 Å²	59	33.3 Å²	33.3	49%	0.488	18%	0.183	S	C	.	.	H	α-helix	trans	-63.4	-40.3	-178.6	0	0	0	0	0	111.8	V121 H153 C159	V121-A155 HydrophobicContact CG2-CB 3.52Å; H153-A155 PolarHBondContact O-N 2.68Å; A155-C159 WeakPolarHBondContact O-CB 3.01Å; A155-C159 PolarHBondContact O-N 3.28Å
156	V	88.8	Confident	87.2	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-48.2	173.4	173.6	0	0	0	0	111	A116 G119 V121 V124 A148 H153 V154 S158 C159 L160	A116-V156 HydrophobicContact CB-CG1 3.9Å; G119-V156 WeakPolarHBondContact O-CG2 2.9Å; V121-V156 HydrophobicContact CG2-CG2 3.76Å; V124-V156 HydrophobicContact CG1-CG1 4.36Å; V124-V156 HydrophobicContact CG2-CG1 3.95Å; V124-V156 HydrophobicContact CG2-CG2 4.26Å; A148-V156 HydrophobicContact CB-CB 4.22Å; A148-V156 HydrophobicContact CB-CG1 3.76Å; H153-V156 HydrophobicContact CB-CB 4Å; H153-V156 HydrophobicContact CB-CG2 4.15Å; H153-V156 PolarHBondContact O-N 2.72Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.33Å; V156-S158 PolarHBondContact O-N 2.92Å; V156-C159 WeakPolarHBondContact O-CB 3.46Å; V156-C159 PolarHBondContact O-N 3.46Å; V156-C159 VanDerWaalsContact O-N 3.11Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CG 3.12Å; V156-L160 PolarHBondContact O-N 2.88Å
157	A	88.4	Confident	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-57.6	-40.6	178.7	0	0	0	0	0	111.6	L145 A148 H153 V154 L160 L161 F198	L145-A157 HydrophobicContact CD1-CB 3.88Å; A148-A157 HydrophobicContact CB-CB 4.26Å; H153-A157 WeakPolarHBondContact O-CB 3.38Å; H153-A157 PolarHBondContact O-N 2.92Å; V154-A157 PolarHBondContact O-N 2.95Å; A157-L160 PolarHBondContact O-N 3.45Å; A157-L161 VanDerWaalsContact O-CG 3.32Å; A157-L161 WeakPolarHBondContact O-CG 3.21Å; A157-L161 PolarHBondContact O-N 2.91Å; A157-F198 HydrophobicContact CB-CE1 4.24Å
158	S	86.8	Confident	86.4	Confident	33 Å²	33	41.3 Å²	41.3	23%	0.231	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-47	174.4	-170.3	0	0	0	0	112.4	V154 V156 L160 L161 Q162 F198	V154-S158 WeakPolarHBondContact O-CB 3.48Å; V154-S158 PolarHBondContact O-N 3.35Å; V156-S158 PolarHBondContact O-N 2.92Å; S158-L160 PolarHBondContact O-N 3.46Å; S158-L161 PolarHBondContact O-N 3.11Å; S158-Q162 WeakPolarHBondContact O-CG 3.38Å; S158-Q162 PolarHBondContact O-N 3.3Å; S158-F198 VanDerWaalsContact CA-CZ 3.48Å
159	C	88.7	Confident	86.3	Confident	7 Å²	7	41.5 Å²	41.5	5%	0.047	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-45.9	176.6	-171.2	0	0	0	0	111.7	A155 V156 L161 Q162 H163	A155-C159 WeakPolarHBondContact O-CB 3.01Å; A155-C159 PolarHBondContact O-N 3.28Å; V156-C159 WeakPolarHBondContact O-CB 3.46Å; V156-C159 PolarHBondContact O-N 3.46Å; V156-C159 VanDerWaalsContact O-N 3.11Å; C159-L161 PolarHBondContact O-N 3.06Å; C159-Q162 PolarHBondContact O-N 3.41Å; C159-H163 PolarHBondContact O-N 3.4Å; C159-H163 PolarHBondContact O-ND1 3.39Å
160	L	91	Very high	86.4	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-44.5	178	-70.5	172.4	0	0	0	111.8	L112 A116 V124 L128 V134 P144 L145 A148 V156 A157 S158 Q162 H163 G164 A165	L112-L160 HydrophobicContact CD1-CD2 4.17Å; L112-L160 HydrophobicContact CD2-CD2 4.21Å; L112-L160 HydrophobicContact CG-CD2 4.36Å; A116-L160 HydrophobicContact CB-CD1 4.37Å; V124-L160 HydrophobicContact CG1-CD2 4.24Å; V124-L160 HydrophobicContact CG1-CG 4.5Å; L128-L160 HydrophobicContact CD1-CD2 4.35Å; L128-L160 HydrophobicContact CD2-CD2 4.42Å; V134-L160 HydrophobicContact CG1-CD2 4.01Å; P144-L160 HydrophobicContact CB-CD1 3.99Å; P144-L160 HydrophobicContact CB-CD2 4.1Å; L145-L160 HydrophobicContact CB-CD1 4.37Å; L145-L160 HydrophobicContact CD1-CB 4.43Å; L145-L160 HydrophobicContact CD1-CD1 4.47Å; A148-L160 HydrophobicContact CB-CD1 4.13Å; V156-L160 HydrophobicContact CG1-CD1 3.78Å; V156-L160 HydrophobicContact CG1-CG 4.15Å; V156-L160 WeakPolarHBondContact O-CG 3.12Å; V156-L160 PolarHBondContact O-N 2.88Å; A157-L160 PolarHBondContact O-N 3.45Å; S158-L160 PolarHBondContact O-N 3.46Å; L160-Q162 PolarHBondContact O-N 3.27Å; L160-H163 CarbonylContact O-C 3.55Å; L160-H163 PolarHBondContact O-N 3.29Å; L160-H163 VanDerWaalsContact O-N 3.16Å; L160-G164 PolarHBondContact O-N 3.12Å; L160-A165 VanDerWaalsContact C-CB 3.43Å; L160-A165 HydrophobicContact CB-CB 3.88Å; L160-A165 WeakPolarHBondContact O-CB 3.34Å; L160-A165 PolarHBondContact O-N 3.15Å
161	L	87.7	Confident	86.8	Confident	38 Å²	38	42.4 Å²	42.4	20%	0.199	23%	0.231	C	C	.	.	H	α-helix	trans	-64.4	-38.2	177.5	-72.5	177.6	0	0	0	112.7	L145 A157 S158 C159 H163 G164 A165 L167 F198 K202	L145-L161 HydrophobicContact CD1-CG 4.36Å; L145-L161 HydrophobicContact CD2-CD2 3.8Å; L145-L161 HydrophobicContact CD2-CG 4.49Å; A157-L161 VanDerWaalsContact O-CG 3.32Å; A157-L161 WeakPolarHBondContact O-CG 3.21Å; A157-L161 PolarHBondContact O-N 2.91Å; S158-L161 PolarHBondContact O-N 3.11Å; C159-L161 PolarHBondContact O-N 3.06Å; L161-H163 PolarHBondContact O-N 2.9Å; L161-G164 PolarHBondContact O-N 3.12Å; L161-G164 VanDerWaalsContact O-N 3.11Å; L161-A165 HydrophobicContact CD2-CB 4.3Å; L161-L167 HydrophobicContact CD1-CD1 3.96Å; L161-L167 HydrophobicContact CD2-CB 4.01Å; L161-L167 HydrophobicContact CD2-CD1 3.81Å; L161-F198 HydrophobicContact CD1-CE1 3.57Å; L161-F198 HydrophobicContact CD1-CZ 3.96Å; L161-K202 HydrophobicContact CD1-CD 4.42Å; L161-K202 HydrophobicContact CD1-CG 4.16Å
162	Q	88.6	Confident	87	Confident	150 Å²	150	43 Å²	43	70%	0.701	24%	0.241	S	C	*	.	H	α-helix	trans	-61.3	-31.7	174.3	-73.6	174.1	-8.2	0	0	112.2	S158 C159 L160 G164	S158-Q162 WeakPolarHBondContact O-CG 3.38Å; S158-Q162 PolarHBondContact O-N 3.3Å; C159-Q162 PolarHBondContact O-N 3.41Å; L160-Q162 PolarHBondContact O-N 3.27Å; Q162-G164 VanDerWaalsContact C-N 3.3Å; Q162-G164 PolarHBondContact O-N 3.42Å
163	H	88.9	Confident	87.2	Confident	92 Å²	92	44 Å²	44	43%	0.426	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	15.7	177.5	-66.5	77.4	0	0	0	113.3	L128 V134 C159 L160 L161	L128-H163 HydrophobicContact CD1-CB 4.21Å; L128-H163 HydrophobicContact CD2-CB 4.26Å; V134-H163 HydrophobicContact CG1-CB 4.48Å; V134-H163 HydrophobicContact CG2-CB 4.19Å; C159-H163 PolarHBondContact O-N 3.4Å; C159-H163 PolarHBondContact O-ND1 3.39Å; L160-H163 CarbonylContact O-C 3.55Å; L160-H163 PolarHBondContact O-N 3.29Å; L160-H163 VanDerWaalsContact O-N 3.16Å; L161-H163 PolarHBondContact O-N 2.9Å
164	G	86.4	Confident	87.2	Confident	47 Å²	47	41.9 Å²	41.9	49%	0.485	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	25.6	173.6	0	0	0	0	0	114.9	N135 L160 L161 Q162	N135-G164 PolarHBondContact ND2-O 3.44Å; L160-G164 PolarHBondContact O-N 3.12Å; L161-G164 PolarHBondContact O-N 3.12Å; L161-G164 VanDerWaalsContact O-N 3.11Å; Q162-G164 VanDerWaalsContact C-N 3.3Å; Q162-G164 PolarHBondContact O-N 3.42Å
165	A	90.3	Very high	87.3	Confident	10 Å²	10	42.5 Å²	42.5	8%	0.083	25%	0.247	C	C	.	.			trans	-60.7	139.5	169.9	0	0	0	0	0	111.7	V134 N135 L145 L160 L161 L167	V134-A165 HydrophobicContact CG1-CB 3.81Å; N135-A165 WeakPolarHBondContact OD1-CA 3.17Å; L145-A165 HydrophobicContact CB-CB 4.35Å; L145-A165 HydrophobicContact CD2-CB 4.21Å; L160-A165 VanDerWaalsContact C-CB 3.43Å; L160-A165 HydrophobicContact CB-CB 3.88Å; L160-A165 WeakPolarHBondContact O-CB 3.34Å; L160-A165 PolarHBondContact O-N 3.15Å; L161-A165 HydrophobicContact CD2-CB 4.3Å; A165-L167 PolarHBondContact O-N 3.25Å; A165-L167 VanDerWaalsContact O-N 3.16Å
166	Q	87.8	Confident	87.4	Confident	111 Å²	111	39.7 Å²	39.7	52%	0.519	22%	0.224	S	C	.	.			trans	-76.7	103.2	178.3	-70.4	178.8	22	0	0	110.4	N135 N168 A169	N135-Q166 PolarHBondContact OD1-N 3.45Å; Q166-N168 PolarHBondContact O-N 3.46Å; Q166-A169 HydrophobicContact CB-CB 3.93Å; Q166-A169 WeakPolarHBondContact O-CB 3.46Å; Q166-A169 PolarHBondContact O-N 3.25Å
167	L	81.6	Confident	87.3	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.099	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.6	179.7	-174.9	70.4	0	0	0	113.8	L161 A165 P177 L199 K202 L205	L161-L167 HydrophobicContact CD1-CD1 3.96Å; L161-L167 HydrophobicContact CD2-CB 4.01Å; L161-L167 HydrophobicContact CD2-CD1 3.81Å; A165-L167 PolarHBondContact O-N 3.25Å; A165-L167 VanDerWaalsContact O-N 3.16Å; L167-P177 WeakPolarHBondContact O-CD 3.48Å; L167-P177 WeakPolarHBondContact O-CG 3.43Å; L167-L199 HydrophobicContact CD1-CD2 3.49Å; L167-L199 VanDerWaalsContact CD1-CD2 3.49Å; L167-K202 HydrophobicContact CD1-CB 4.42Å; L167-K202 HydrophobicContact CD1-CG 4.28Å; L167-K202 HydrophobicContact CD2-CB 3.62Å; L167-K202 HydrophobicContact CD2-CG 4.33Å; L167-L205 HydrophobicContact CD1-CD1 4.26Å; L167-L205 HydrophobicContact CD2-CB 3.92Å; L167-L205 HydrophobicContact CD2-CD1 3.89Å; L167-L205 HydrophobicContact CG-CD1 3.84Å
168	N	82	Confident	87	Confident	40 Å²	40	39.7 Å²	39.7	21%	0.214	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	23.5	-176.7	-57.2	-51.6	0	0	0	112.6	Q166 N204 K206 L209	Q166-N168 PolarHBondContact O-N 3.46Å; N168-N204 PolarHBondContact ND2-O 2.87Å; N168-K206 PolarHBondContact OD1-N 3.45Å; N168-L209 HydrophobicContact CB-CD1 3.85Å
169	A	88.3	Confident	86.8	Confident	5 Å²	5	38.2 Å²	38.2	4%	0.041	21%	0.214	C	C	.	.			trans	-56.7	143.1	174.3	0	0	0	0	0	109.9	T143 H146 Q166 T176 P177	T143-A169 HydrophobicContact CG2-CB 4.03Å; H146-A169 PolarHBondContact CE1-O 3.08Å; H146-A169 PolarHBondContact NE2-O 2.73Å; H146-A169 VanDerWaalsContact NE2-O 3.17Å; Q166-A169 HydrophobicContact CB-CB 3.93Å; Q166-A169 WeakPolarHBondContact O-CB 3.46Å; Q166-A169 PolarHBondContact O-N 3.25Å; A169-T176 WeakPolarHBondContact O-CA 3.48Å; A169-P177 VanDerWaalsContact O-CD 3.29Å; A169-P177 WeakPolarHBondContact O-CD 3.41Å
170	Q	88.6	Confident	86.5	Confident	73 Å²	73	38.1 Å²	38.1	34%	0.341	21%	0.213	S	C	.	.			trans	-111.5	134.7	176.6	-69.3	-175.7	-79.9	0	0	110.1	R137 G174 L175 T176 R210	R137-Q170 PolarHBondContact NH1-O 3.09Å; R137-Q170 PolarHBondContact NH2-O 2.95Å; Q170-G174 PolarHBondContact NE2-O 2.74Å; Q170-G174 VanDerWaalsContact NE2-O 3.07Å; Q170-L175 CarbonylContact C-O 3.51Å; Q170-L175 WeakPolarHBondContact CA-O 3.33Å; Q170-T176 HydrophobicContact CG-CG2 3.88Å; Q170-R210 PolarHBondContact NE2-O 3.41Å
171	T	90.9	Very high	86	Confident	9 Å²	9	38.1 Å²	38.1	6%	0.055	21%	0.213	C	C	.	.			trans	-68.9	175.8	167.7	69.7	0	0	0	0	110.9	G141 W142 G173 G174 L175	G141-T171 WeakPolarHBondContact O-CA 3.49Å; W142-T171 HydrophobicContact CG-CG2 4.23Å; T171-G173 PolarHBondContact O-N 3.28Å; T171-G173 PolarHBondContact OG1-N 2.75Å; T171-G174 PolarHBondContact O-N 2.98Å; T171-L175 HydrophobicContact CG2-CB 4.4Å; T171-L175 PolarHBondContact N-O 3.04Å; T171-L175 WeakPolarHBondContact OG1-CB 3.26Å; T171-L175 PolarHBondContact OG1-N 3.26Å
172	N	88.6	Confident	85.5	Confident	102 Å²	102	36.3 Å²	36.3	55%	0.545	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-24.4	175.9	-63.8	-5.6	0	0	0	112.3	V139 D140 G174	V139-N172 PolarHBondContact O-ND2 3.04Å; D140-N172 VanDerWaalsContact C-CG 3.43Å; D140-N172 VanDerWaalsContact C-ND2 3.35Å; D140-N172 WeakPolarHBondContact O-CB 3.47Å; D140-N172 VanDerWaalsContact O-CG 3.26Å; D140-N172 PolarHBondContact O-N 3.16Å; N172-G174 VanDerWaalsContact C-N 3.25Å; N172-G174 PolarHBondContact O-N 3.13Å
173	G	84.8	Confident	84.9	Confident	33 Å²	33	30.9 Å²	30.9	34%	0.34	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	9.1	171.4	0	0	0	0	0	114.5	T171 L175 S212	T171-G173 PolarHBondContact O-N 3.28Å; T171-G173 PolarHBondContact OG1-N 2.75Å; G173-L175 PolarHBondContact O-N 2.84Å; G173-S212 WeakPolarHBondContact O-CB 3.48Å; G173-S212 PolarHBondContact O-N 3.48Å; G173-S212 PolarHBondContact O-OG 3.02Å; G173-S212 VanDerWaalsContact O-OG 3.09Å
174	G	84.6	Confident	83.8	Confident	9 Å²	9	28.4 Å²	28.4	9%	0.093	17%	0.171	C	C	.	.			trans	72.1	4.8	-178.3	0	0	0	0	0	114.4	Q170 T171 N172	Q170-G174 PolarHBondContact NE2-O 2.74Å; Q170-G174 VanDerWaalsContact NE2-O 3.07Å; T171-G174 PolarHBondContact O-N 2.98Å; N172-G174 VanDerWaalsContact C-N 3.25Å; N172-G174 PolarHBondContact O-N 3.13Å
175	L	86.1	Confident	82.4	Confident	54 Å²	54	26.6 Å²	26.6	28%	0.283	15%	0.15	S	C	.	.			trans	-74.7	135.5	-177.8	-56.5	174.2	0	0	0	109.8	H146 Q170 T171 G173 H179 L180	H146-L175 PolarHBondContact NE2-O 3.49Å; Q170-L175 CarbonylContact C-O 3.51Å; Q170-L175 WeakPolarHBondContact CA-O 3.33Å; T171-L175 HydrophobicContact CG2-CB 4.4Å; T171-L175 PolarHBondContact N-O 3.04Å; T171-L175 WeakPolarHBondContact OG1-CB 3.26Å; T171-L175 PolarHBondContact OG1-N 3.26Å; G173-L175 PolarHBondContact O-N 2.84Å; L175-H179 HydrophobicContact CB-CB 4.22Å; L175-H179 HydrophobicContact CD2-CB 4.07Å; L175-L180 HydrophobicContact CB-CD2 4.38Å; L175-L180 HydrophobicContact CD1-CD2 3.94Å
176	T	87.3	Confident	80.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	17%	0.169	C	C	.	.			trans	-96.4	167	172.4	69.4	0	0	0	0	110.8	A169 Q170 L178 H179 L180 L209	A169-T176 WeakPolarHBondContact O-CA 3.48Å; Q170-T176 HydrophobicContact CG-CG2 3.88Å; T176-L178 PolarHBondContact O-N 3.09Å; T176-L178 VanDerWaalsContact O-N 3.1Å; T176-L178 PolarHBondContact OG1-N 3.24Å; T176-H179 PolarHBondContact N-ND1 3.07Å; T176-H179 VanDerWaalsContact N-ND1 3.18Å; T176-H179 WeakPolarHBondContact O-CB 3.3Å; T176-H179 PolarHBondContact O-N 2.88Å; T176-H179 PolarHBondContact OG1-N 3.25Å; T176-H179 PolarHBondContact OG1-ND1 2.92Å; T176-L180 PolarHBondContact O-N 3.15Å; T176-L180 VanDerWaalsContact O-N 3.16Å; T176-L209 HydrophobicContact CG2-CB 3.93Å; T176-L209 HydrophobicContact CG2-CD1 3.69Å; T176-L209 HydrophobicContact CG2-CG 4.47Å
177	P	86.2	Confident	78.8	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-53.8	-32.8	173.1	-26.9	35.6	0	0	0	112.4	L145 H146 C149 L167 A169 L180 A181	L145-P177 HydrophobicContact CD2-CB 4.4Å; L145-P177 HydrophobicContact CD2-CG 3.97Å; L145-P177 HydrophobicContact CG-CB 4.22Å; L145-P177 HydrophobicContact CG-CG 4.09Å; H146-P177 WeakPolarHBondContact NE2-CD 3.32Å; C149-P177 HydrophobicContact CB-CB 4.02Å; L167-P177 WeakPolarHBondContact O-CD 3.48Å; L167-P177 WeakPolarHBondContact O-CG 3.43Å; A169-P177 VanDerWaalsContact O-CD 3.29Å; A169-P177 WeakPolarHBondContact O-CD 3.41Å; P177-L180 PolarHBondContact O-N 3.42Å; P177-A181 WeakPolarHBondContact O-CB 3.43Å; P177-A181 PolarHBondContact O-N 3.5Å
178	L	82.3	Confident	77.3	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-66.3	-41.1	175.3	-171.2	68.3	0	0	0	112.9	T176 L180 A181 A182 L196 L199 L200 L205 P207 A217 F231	T176-L178 PolarHBondContact O-N 3.09Å; T176-L178 VanDerWaalsContact O-N 3.1Å; T176-L178 PolarHBondContact OG1-N 3.24Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.32Å; L178-A181 PolarHBondContact O-N 2.94Å; L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.09Å; L178-L196 HydrophobicContact CD1-CD2 4.17Å; L178-L199 HydrophobicContact CD1-CB 4.24Å; L178-L199 HydrophobicContact CD1-CD1 4.26Å; L178-L200 HydrophobicContact CD1-CD2 4.09Å; L178-L205 HydrophobicContact CB-CD1 4.42Å; L178-L205 HydrophobicContact CD1-CD2 4.12Å; L178-L205 HydrophobicContact CD2-CD1 4.34Å; L178-L205 HydrophobicContact CD2-CD2 3.87Å; L178-L205 HydrophobicContact CD2-CG 4.27Å; L178-P207 HydrophobicContact CD2-CB 4.04Å; L178-A217 HydrophobicContact CB-CB 4.25Å; L178-A217 HydrophobicContact CD2-CB 3.74Å; L178-A217 HydrophobicContact CG-CB 3.71Å; L178-F231 HydrophobicContact CD1-CE1 3.96Å; L178-F231 HydrophobicContact CD1-CZ 4.48Å; L178-F231 HydrophobicContact CD2-CE1 4.31Å; L178-F231 HydrophobicContact CG-CE1 3.92Å
179	H	81.7	Confident	75.9	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-40.3	174.6	-69.3	82.2	0	0	0	111.3	L175 T176 A182 S183 L209 E215 T216 A217	L175-H179 HydrophobicContact CB-CB 4.22Å; L175-H179 HydrophobicContact CD2-CB 4.07Å; T176-H179 PolarHBondContact N-ND1 3.07Å; T176-H179 VanDerWaalsContact N-ND1 3.18Å; T176-H179 WeakPolarHBondContact O-CB 3.3Å; T176-H179 PolarHBondContact O-N 2.88Å; T176-H179 PolarHBondContact OG1-N 3.25Å; T176-H179 PolarHBondContact OG1-ND1 2.92Å; H179-A182 WeakPolarHBondContact O-CB 3.36Å; H179-A182 PolarHBondContact O-N 3.2Å; H179-S183 WeakPolarHBondContact O-CB 3.39Å; H179-S183 PolarHBondContact O-N 3.34Å; H179-S183 PolarHBondContact O-OG 3.38Å; H179-L209 PolarHBondContact CE1-O 2.87Å; H179-L209 PolarHBondContact NE2-O 3.1Å; H179-E215 PolarHBondContact NE2-O 3.49Å; H179-T216 VanDerWaalsContact NE2-C 3.31Å; H179-A217 PolarHBondContact CD2-N 2.93Å; H179-A217 PolarHBondContact NE2-N 2.91Å; H179-A217 VanDerWaalsContact NE2-N 3.14Å
180	L	83.6	Confident	74.2	Confident	5 Å²	5	39.8 Å²	39.8	3%	0.026	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-44.9	180	-64.7	-176.1	0	0	0	111.7	W142 H146 R150 L175 T176 P177 L178 A182 S183 H184	W142-L180 HydrophobicContact CE3-CD1 4.14Å; W142-L180 HydrophobicContact CH2-CD1 3.75Å; W142-L180 HydrophobicContact CH2-CD2 4.17Å; W142-L180 HydrophobicContact CZ2-CD1 4.19Å; W142-L180 HydrophobicContact CZ2-CD2 4.27Å; W142-L180 HydrophobicContact CZ3-CD1 3.72Å; H146-L180 HydrophobicContact CB-CD1 3.55Å; R150-L180 HydrophobicContact CB-CB 4.36Å; L175-L180 HydrophobicContact CB-CD2 4.38Å; L175-L180 HydrophobicContact CD1-CD2 3.94Å; T176-L180 PolarHBondContact O-N 3.15Å; T176-L180 VanDerWaalsContact O-N 3.16Å; P177-L180 PolarHBondContact O-N 3.42Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3.32Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.84Å; L180-S183 WeakPolarHBondContact CA-OG 3.43Å; L180-S183 PolarHBondContact O-N 3.27Å; L180-S183 PolarHBondContact O-OG 2.89Å; L180-H184 PolarHBondContact O-N 3.28Å
181	A	80.5	Confident	72.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-40.5	173.8	0	0	0	0	0	111.5	C149 P177 L178 S183 H184 V195 L196 L199	C149-A181 HydrophobicContact CB-CB 4.39Å; P177-A181 WeakPolarHBondContact O-CB 3.43Å; P177-A181 PolarHBondContact O-N 3.5Å; L178-A181 PolarHBondContact O-N 2.94Å; A181-S183 PolarHBondContact O-N 3.42Å; A181-H184 PolarHBondContact O-N 3.05Å; A181-V195 HydrophobicContact CB-CG1 4Å; A181-L196 HydrophobicContact CB-CD2 3.35Å; A181-L196 HydrophobicContact CB-CG 3.98Å; A181-L199 HydrophobicContact CB-CD1 4.12Å
182	A	76.6	Confident	71	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-42	176.1	0	0	0	0	0	112.6	L178 H179 L180 H184 S185 A217 V220 A221 S224 F231	L178-A182 WeakPolarHBondContact O-CB 3.4Å; L178-A182 PolarHBondContact O-N 3.09Å; H179-A182 WeakPolarHBondContact O-CB 3.36Å; H179-A182 PolarHBondContact O-N 3.2Å; L180-A182 VanDerWaalsContact C-N 3.29Å; L180-A182 PolarHBondContact O-N 2.84Å; A182-H184 VanDerWaalsContact C-N 3.31Å; A182-H184 PolarHBondContact O-N 2.92Å; A182-S185 PolarHBondContact O-OG 3.36Å; A182-S185 VanDerWaalsContact O-OG 3.1Å; A182-A217 WeakPolarHBondContact CB-O 3.43Å; A182-V220 HydrophobicContact CB-CB 4.49Å; A182-V220 HydrophobicContact CB-CG1 4.24Å; A182-A221 HydrophobicContact CB-CB 4.1Å; A182-S224 WeakPolarHBondContact O-CB 3.42Å; A182-S224 PolarHBondContact O-OG 2.9Å; A182-F231 HydrophobicContact CB-CE1 3.87Å; A182-F231 HydrophobicContact CB-CE2 4.17Å; A182-F231 HydrophobicContact CB-CZ 3.4Å; A182-F231 VanDerWaalsContact CB-CZ 3.4Å
183	S	76	Confident	69.7	Low	36 Å²	36	36 Å²	36	25%	0.252	22%	0.219	S	C	.	.	H	α-helix	trans	-73.9	-17.6	-177	67.1	0	0	0	0	114.5	R150 H179 L180 A181	R150-S183 PolarHBondContact NH1-OG 3.41Å; H179-S183 WeakPolarHBondContact O-CB 3.39Å; H179-S183 PolarHBondContact O-N 3.34Å; H179-S183 PolarHBondContact O-OG 3.38Å; L180-S183 WeakPolarHBondContact CA-OG 3.43Å; L180-S183 PolarHBondContact O-N 3.27Å; L180-S183 PolarHBondContact O-OG 2.89Å; A181-S183 PolarHBondContact O-N 3.42Å
184	H	66.4	Low	69	Low	40 Å²	40	39.4 Å²	39.4	19%	0.185	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	4.1	179.8	-105.2	24.9	0	0	0	114.6	R150 L180 A181 A182 N186 S187	R150-H184 PolarHBondContact NE-CD2 3.27Å; R150-H184 PolarHBondContact NE-CE1 3.23Å; R150-H184 VanDerWaalsContact NE-CE1 3.25Å; R150-H184 PolarHBondContact NE-ND1 2.9Å; R150-H184 PolarHBondContact NE-NE2 3.44Å; R150-H184 PolarHBondContact NH1-ND1 2.76Å; R150-H184 PolarHBondContact NH2-CE1 3.48Å; R150-H184 PolarHBondContact NH2-ND1 3.24Å; R150-H184 WeakPolarHBondContact O-CB 3.44Å; R150-H184 PolarHBondContact O-CD2 3.16Å; L180-H184 PolarHBondContact O-N 3.28Å; A181-H184 PolarHBondContact O-N 3.05Å; A182-H184 VanDerWaalsContact C-N 3.31Å; A182-H184 PolarHBondContact O-N 2.92Å; H184-N186 PolarHBondContact O-N 3.21Å; H184-S187 PolarHBondContact O-N 2.98Å; H184-S187 VanDerWaalsContact O-N 3.15Å; H184-S187 PolarHBondContact O-OG 3.34Å
185	S	56.9	Low	68.5	Low	9 Å²	9	39 Å²	39	6%	0.063	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-3.6	176.8	71.6	0	0	0	0	115.8	A182 T192 S224	A182-S185 PolarHBondContact O-OG 3.36Å; A182-S185 VanDerWaalsContact O-OG 3.1Å; S185-T192 VanDerWaalsContact CA-CG2 3.5Å; S185-S224 PolarHBondContact OG-OG 2.77Å
186	N	49.6	Very low	67.9	Low	90 Å²	90	36.4 Å²	36.4	48%	0.481	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-11.9	-175.6	-59.8	-1.5	0	0	0	113.2	H184 S188 S224 G225	H184-N186 PolarHBondContact O-N 3.21Å; N186-S188 PolarHBondContact O-N 3.27Å; N186-S224 VanDerWaalsContact CG-C 3.41Å; N186-S224 WeakPolarHBondContact ND2-CA 3.13Å; N186-S224 WeakPolarHBondContact ND2-CB 3.16Å; N186-S224 PolarHBondContact ND2-O 2.58Å; N186-S224 WeakPolarHBondContact OD1-CA 3.21Å; N186-S224 WeakPolarHBondContact OD1-CB 3.32Å; N186-S224 PolarHBondContact OD1-O 2.75Å; N186-G225 PolarHBondContact OD1-N 2.58Å
187	S	51.8	Low	67.1	Low	44 Å²	44	39 Å²	39	31%	0.308	22%	0.22	S	C	.	.	S	Bend	trans	-61.3	133.7	167.4	71	0	0	0	0	106.2	H184 K189	H184-S187 PolarHBondContact O-N 2.98Å; H184-S187 VanDerWaalsContact O-N 3.15Å; H184-S187 PolarHBondContact O-OG 3.34Å; S187-K189 PolarHBondContact O-N 3.27Å
188	S	50.8	Low	66.6	Low	128 Å²	128	40.4 Å²	40.4	90%	0.895	23%	0.226	S	C	*	.	S	Bend	trans	-59.4	16	-177.5	-168.1	0	0	0	0	114.5	N186	N186-S188 PolarHBondContact O-N 3.27Å
189	K	52.5	Low	66.2	Low	106 Å²	106	40.4 Å²	40.4	46%	0.461	23%	0.226	S	C	.	.			trans	-91.1	120.3	-175	-62.5	-172.1	176.8	-172.5	0	109.8	S187 N191 T192	S187-K189 PolarHBondContact O-N 3.27Å; K189-N191 PolarHBondContact O-N 2.94Å; K189-T192 PolarHBondContact O-N 3.14Å; K189-T192 PolarHBondContact O-OG1 3.25Å
190	P	51.9	Low	65.7	Low	94 Å²	94	42 Å²	42	61%	0.61	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.9	-178.7	23.7	-32.4	0	0	0	113.2	T192 H194	P190-T192 VanDerWaalsContact C-N 3.27Å; P190-T192 PolarHBondContact O-N 3.27Å; P190-H194 PolarHBondContact O-ND1 3.15Å
191	N	56.1	Low	65.1	Low	95 Å²	95	45.3 Å²	45.3	51%	0.508	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.2	-172.9	-60.5	8.1	0	0	0	113.5	K189 A193 H194	K189-N191 PolarHBondContact O-N 2.94Å; N191-A193 PolarHBondContact O-N 3.4Å; N191-H194 WeakPolarHBondContact O-CB 3.45Å; N191-H194 PolarHBondContact O-N 3.36Å
192	T	57	Low	64.7	Low	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-72.3	-28	-174.7	-46.9	0	0	0	0	113.8	S152 S185 K189 P190 H194	S152-T192 WeakPolarHBondContact OG-CA 3.35Å; S152-T192 WeakPolarHBondContact OG-CB 3.26Å; S152-T192 VanDerWaalsContact OG-CG2 3.32Å; S152-T192 WeakPolarHBondContact OG-CG2 3.39Å; S152-T192 PolarHBondContact OG-OG1 2.74Å; S185-T192 VanDerWaalsContact CA-CG2 3.5Å; K189-T192 PolarHBondContact O-N 3.14Å; K189-T192 PolarHBondContact O-OG1 3.25Å; P190-T192 VanDerWaalsContact C-N 3.27Å; P190-T192 PolarHBondContact O-N 3.27Å; T192-H194 VanDerWaalsContact C-N 3.29Å; T192-H194 PolarHBondContact O-N 3.15Å
193	A	61.5	Low	63.8	Low	9 Å²	9	60.4 Å²	60.4	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-38.1	172.4	0	0	0	0	0	111.8	N191 V195 L196 E197 Y227	N191-A193 PolarHBondContact O-N 3.4Å; A193-V195 PolarHBondContact O-N 2.68Å; A193-L196 WeakPolarHBondContact O-CB 3.49Å; A193-L196 PolarHBondContact O-N 2.88Å; A193-E197 WeakPolarHBondContact O-CG 3.44Å; A193-E197 PolarHBondContact O-N 3.35Å; A193-Y227 HydrophobicContact CB-CD1 4.07Å; A193-Y227 HydrophobicContact CB-CE1 3.56Å
194	H	68.9	Low	63.4	Low	103 Å²	103	65 Å²	65	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-37	-173.1	-62.1	88.3	0	0	0	113	V154 P190 N191 T192 F198	V154-H194 HydrophobicContact CG2-CB 3.77Å; P190-H194 PolarHBondContact O-ND1 3.15Å; N191-H194 WeakPolarHBondContact O-CB 3.45Å; N191-H194 PolarHBondContact O-N 3.36Å; T192-H194 VanDerWaalsContact C-N 3.29Å; T192-H194 PolarHBondContact O-N 3.15Å; H194-F198 WeakPolarHBondContact O-CB 3.33Å; H194-F198 PolarHBondContact O-N 3.02Å
195	V	74.8	Confident	63.6	Low	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-71.8	-34.1	177	76.5	0	0	0	0	111.7	C149 V154 A181 A193 F198 L199	C149-V195 HydrophobicContact CB-CG2 4.49Å; V154-V195 HydrophobicContact CG2-CB 3.91Å; V154-V195 HydrophobicContact CG2-CG2 4.44Å; A181-V195 HydrophobicContact CB-CG1 4Å; A193-V195 PolarHBondContact O-N 2.68Å; V195-F198 PolarHBondContact O-N 3.3Å; V195-L199 WeakPolarHBondContact O-CB 3.45Å; V195-L199 VanDerWaalsContact O-CG 3.25Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.05Å
196	L	73.2	Confident	64.3	Low	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-53.9	175.6	-75.3	173.6	0	0	0	110.8	L178 A181 A193 F198 L199 L200 F231	L178-L196 HydrophobicContact CD1-CD2 4.17Å; A181-L196 HydrophobicContact CB-CD2 3.35Å; A181-L196 HydrophobicContact CB-CG 3.98Å; A193-L196 WeakPolarHBondContact O-CB 3.49Å; A193-L196 PolarHBondContact O-N 2.88Å; L196-F198 VanDerWaalsContact C-N 3.26Å; L196-F198 PolarHBondContact O-N 3.37Å; L196-L199 PolarHBondContact O-N 3.36Å; L196-L199 VanDerWaalsContact O-N 3.14Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.31Å; L196-L200 PolarHBondContact O-N 2.82Å; L196-F231 HydrophobicContact CD1-CE2 4.08Å; L196-F231 HydrophobicContact CD1-CZ 4.21Å; L196-F231 HydrophobicContact CD2-CE1 4.34Å; L196-F231 HydrophobicContact CD2-CE2 4.13Å; L196-F231 HydrophobicContact CD2-CZ 3.45Å; L196-F231 VanDerWaalsContact CD2-CZ 3.45Å; L196-F231 HydrophobicContact CG-CZ 4.43Å
197	E	71.3	Confident	65.1	Low	55 Å²	55	65.9 Å²	65.9	26%	0.257	34%	0.338	S	S	.	.	H	α-helix	trans	-55.7	-43.7	175.1	-70.8	172.5	-170.4	0	0	111.5	A193 L199 L200 S201 L230	A193-E197 WeakPolarHBondContact O-CG 3.44Å; A193-E197 PolarHBondContact O-N 3.35Å; E197-L199 PolarHBondContact O-N 2.64Å; E197-L200 PolarHBondContact O-N 2.81Å; E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.01Å; E197-L230 HydrophobicContact CG-CD1 4.12Å
198	F	75.1	Confident	65.7	Low	31 Å²	31	66 Å²	66	14%	0.136	35%	0.347	C	S	.	.	H	α-helix	trans	-60	-45.7	176.5	175.1	-99	0	0	0	112.6	V154 A157 S158 L161 H194 V195 L196 S201 K202	V154-F198 HydrophobicContact CG1-CB 3.92Å; V154-F198 HydrophobicContact CG1-CD1 4.37Å; V154-F198 HydrophobicContact CG1-CD2 4.01Å; V154-F198 HydrophobicContact CG1-CG 3.84Å; A157-F198 HydrophobicContact CB-CE1 4.24Å; S158-F198 VanDerWaalsContact CA-CZ 3.48Å; L161-F198 HydrophobicContact CD1-CE1 3.57Å; L161-F198 HydrophobicContact CD1-CZ 3.96Å; H194-F198 WeakPolarHBondContact O-CB 3.33Å; H194-F198 PolarHBondContact O-N 3.02Å; V195-F198 PolarHBondContact O-N 3.3Å; L196-F198 VanDerWaalsContact C-N 3.26Å; L196-F198 PolarHBondContact O-N 3.37Å; F198-S201 PolarHBondContact O-N 3.4Å; F198-S201 PolarHBondContact O-OG 3.17Å; F198-K202 VanDerWaalsContact CZ-NZ 3.33Å; F198-K202 WeakPolarHBondContact O-CG 3.27Å
199	L	74.3	Confident	66.8	Low	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-65.8	-43.6	177	-71	174.1	0	0	0	111.2	C149 L167 L178 A181 V195 L196 E197 S201 K202	C149-L199 HydrophobicContact CB-CD1 4.39Å; L167-L199 HydrophobicContact CD1-CD2 3.49Å; L167-L199 VanDerWaalsContact CD1-CD2 3.49Å; L178-L199 HydrophobicContact CD1-CB 4.24Å; L178-L199 HydrophobicContact CD1-CD1 4.26Å; A181-L199 HydrophobicContact CB-CD1 4.12Å; V195-L199 WeakPolarHBondContact O-CB 3.45Å; V195-L199 VanDerWaalsContact O-CG 3.25Å; V195-L199 WeakPolarHBondContact O-CG 3.21Å; V195-L199 PolarHBondContact O-N 3.05Å; L196-L199 PolarHBondContact O-N 3.36Å; L196-L199 VanDerWaalsContact O-N 3.14Å; E197-L199 PolarHBondContact O-N 2.64Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.37Å; L199-K202 VanDerWaalsContact O-CB 3.29Å; L199-K202 WeakPolarHBondContact O-CB 3.46Å; L199-K202 WeakPolarHBondContact O-CG 3.42Å; L199-K202 PolarHBondContact O-N 2.85Å
200	L	71.1	Confident	67.9	Low	36 Å²	36	63.8 Å²	63.8	19%	0.188	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-31.3	178.1	-68.3	179.1	0	0	0	112.4	L178 L196 E197 K202 L205 L230 V234	L178-L200 HydrophobicContact CD1-CD2 4.09Å; L196-L200 WeakPolarHBondContact O-CB 3.43Å; L196-L200 VanDerWaalsContact O-CG 3.23Å; L196-L200 WeakPolarHBondContact O-CG 3.31Å; L196-L200 PolarHBondContact O-N 2.82Å; E197-L200 PolarHBondContact O-N 2.81Å; L200-K202 PolarHBondContact O-N 3.25Å; L200-L205 HydrophobicContact CD2-CD2 3.58Å; L200-L230 HydrophobicContact CD1-CB 3.86Å; L200-V234 HydrophobicContact CB-CG2 4.47Å; L200-V234 HydrophobicContact CD1-CG2 3.93Å; L200-V234 HydrophobicContact CD2-CB 4.07Å; L200-V234 HydrophobicContact CD2-CG1 3.8Å; L200-V234 HydrophobicContact CD2-CG2 3.45Å; L200-V234 VanDerWaalsContact CD2-CG2 3.45Å; L200-V234 HydrophobicContact CG-CG2 4.12Å
201	S	71.1	Confident	69.3	Low	74 Å²	74	59.7 Å²	59.7	52%	0.517	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.3	173.2	80.9	0	0	0	0	113.7	E197 F198 L199 R203	E197-S201 WeakPolarHBondContact O-CB 3.35Å; E197-S201 PolarHBondContact O-N 3.01Å; F198-S201 PolarHBondContact O-N 3.4Å; F198-S201 PolarHBondContact O-OG 3.17Å; L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.37Å; S201-R203 PolarHBondContact O-N 3.03Å
202	K	71.3	Confident	70.6	Confident	67 Å²	67	59.7 Å²	59.7	29%	0.291	30%	0.3	S	S	.	.			trans	-84.5	118.3	-176.7	-55.3	-49.9	177.1	-162.6	0	111.3	L161 L167 F198 L199 L200 N204 L205	L161-K202 HydrophobicContact CD1-CD 4.42Å; L161-K202 HydrophobicContact CD1-CG 4.16Å; L167-K202 HydrophobicContact CD1-CB 4.42Å; L167-K202 HydrophobicContact CD1-CG 4.28Å; L167-K202 HydrophobicContact CD2-CB 3.62Å; L167-K202 HydrophobicContact CD2-CG 4.33Å; F198-K202 VanDerWaalsContact CZ-NZ 3.33Å; F198-K202 WeakPolarHBondContact O-CG 3.27Å; L199-K202 VanDerWaalsContact O-CB 3.29Å; L199-K202 WeakPolarHBondContact O-CB 3.46Å; L199-K202 WeakPolarHBondContact O-CG 3.42Å; L199-K202 PolarHBondContact O-N 2.85Å; L200-K202 PolarHBondContact O-N 3.25Å; K202-N204 PolarHBondContact O-N 3.3Å; K202-L205 WeakPolarHBondContact O-CB 3.48Å; K202-L205 PolarHBondContact O-N 3.31Å; K202-L205 VanDerWaalsContact O-N 3.07Å
203	R	57.4	Low	71.7	Confident	250 Å²	250	63.5 Å²	63.5	94%	0.943	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-178.2	-69.5	-174.1	177.6	173.2	-0.6	116.1	S201	S201-R203 PolarHBondContact O-N 3.03Å
204	N	68.4	Low	72.5	Confident	132 Å²	132	64.6 Å²	64.6	71%	0.706	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	11.1	-177.5	-67.9	-28.2	0	0	0	113.3	N168 K202	N168-N204 PolarHBondContact ND2-O 2.87Å; K202-N204 PolarHBondContact O-N 3.3Å
205	L	71.4	Confident	72.9	Confident	23 Å²	23	62.7 Å²	62.7	12%	0.12	33%	0.33	C	S	.	.			trans	-68.6	134.7	178.8	-170.4	70.3	0	0	0	110.6	L167 L178 L200 K202 P207	L167-L205 HydrophobicContact CD1-CD1 4.26Å; L167-L205 HydrophobicContact CD2-CB 3.92Å; L167-L205 HydrophobicContact CD2-CD1 3.89Å; L167-L205 HydrophobicContact CG-CD1 3.84Å; L178-L205 HydrophobicContact CB-CD1 4.42Å; L178-L205 HydrophobicContact CD1-CD2 4.12Å; L178-L205 HydrophobicContact CD2-CD1 4.34Å; L178-L205 HydrophobicContact CD2-CD2 3.87Å; L178-L205 HydrophobicContact CD2-CG 4.27Å; L200-L205 HydrophobicContact CD2-CD2 3.58Å; K202-L205 WeakPolarHBondContact O-CB 3.48Å; K202-L205 PolarHBondContact O-N 3.31Å; K202-L205 VanDerWaalsContact O-N 3.07Å; L205-P207 WeakPolarHBondContact O-CD 3.49Å
206	K	70.2	Confident	73.1	Confident	129 Å²	129	62.9 Å²	62.9	56%	0.561	33%	0.331	S	S	*	.			trans	-109.3	86.8	174	-68.4	-176.3	178.3	-177	0	109.6	N168 G208 L209	N168-K206 PolarHBondContact OD1-N 3.45Å; K206-G208 VanDerWaalsContact C-N 3.31Å; K206-G208 PolarHBondContact O-N 2.96Å; K206-L209 HydrophobicContact CB-CD1 3.81Å; K206-L209 HydrophobicContact CB-CG 3.87Å; K206-L209 PolarHBondContact O-N 3.13Å
207	P	66.3	Low	73.2	Confident	7 Å²	7	62.9 Å²	62.9	5%	0.045	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.8	-176.5	30.4	-38.1	0	0	0	112.9	L178 L205 L209 V234 V238	L178-P207 HydrophobicContact CD2-CB 4.04Å; L205-P207 WeakPolarHBondContact O-CD 3.49Å; P207-L209 PolarHBondContact O-N 3.35Å; P207-V234 HydrophobicContact CB-CG1 3.44Å; P207-V234 VanDerWaalsContact CB-CG1 3.44Å; P207-V234 HydrophobicContact CG-CG1 3.45Å; P207-V234 VanDerWaalsContact CG-CG1 3.45Å; P207-V238 HydrophobicContact CG-CB 4.35Å; P207-V238 HydrophobicContact CG-CG2 3.46Å; P207-V238 VanDerWaalsContact CG-CG2 3.46Å
208	G	66.1	Low	73	Confident	47 Å²	47	60.4 Å²	60.4	49%	0.485	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	5.9	179.1	0	0	0	0	0	115.4	K206	K206-G208 VanDerWaalsContact C-N 3.31Å; K206-G208 PolarHBondContact O-N 2.96Å
209	L	72.5	Confident	72.9	Confident	41 Å²	41	60.6 Å²	60.6	22%	0.215	32%	0.323	C	S	.	.			trans	-65.3	136.9	171.4	-73.6	172.7	0	0	0	109.3	N168 T176 H179 K206 P207	N168-L209 HydrophobicContact CB-CD1 3.85Å; T176-L209 HydrophobicContact CG2-CB 3.93Å; T176-L209 HydrophobicContact CG2-CD1 3.69Å; T176-L209 HydrophobicContact CG2-CG 4.47Å; H179-L209 PolarHBondContact CE1-O 2.87Å; H179-L209 PolarHBondContact NE2-O 3.1Å; K206-L209 HydrophobicContact CB-CD1 3.81Å; K206-L209 HydrophobicContact CB-CG 3.87Å; K206-L209 PolarHBondContact O-N 3.13Å; P207-L209 PolarHBondContact O-N 3.35Å
210	R	76.3	Confident	73	Confident	145 Å²	145	61.8 Å²	61.8	55%	0.547	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-104.3	141.5	-179.7	-66.3	-178.5	179.9	-79.8	-6.2	110.4	Q170 G214 E215 T216 D219	Q170-R210 PolarHBondContact NE2-O 3.41Å; R210-G214 WeakPolarHBondContact CD-O 3.33Å; R210-G214 PolarHBondContact NH1-O 3.36Å; R210-E215 WeakPolarHBondContact CA-O 3.29Å; R210-T216 HydrophobicContact CG-CG2 4.11Å; R210-D219 IonicContact NH1-OD2 3.96Å
211	S	81.8	Confident	73	Confident	9 Å²	9	60.1 Å²	60.1	6%	0.063	32%	0.322	C	S	.	.			trans	-66.7	173.5	167.4	69.9	0	0	0	0	111.3	S213 G214 E215	S211-S213 PolarHBondContact O-N 3.05Å; S211-S213 PolarHBondContact OG-N 3.11Å; S211-S213 PolarHBondContact OG-OG 2.94Å; S211-G214 WeakPolarHBondContact O-CA 3.22Å; S211-G214 PolarHBondContact O-N 3.26Å; S211-G214 PolarHBondContact OG-N 3.47Å; S211-E215 PolarHBondContact N-O 3.13Å; S211-E215 PolarHBondContact OG-N 3.44Å; S211-E215 PolarHBondContact OG-O 3.31Å
212	S	83.9	Confident	72.9	Confident	94 Å²	94	63.9 Å²	63.9	66%	0.657	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.9	171.4	-58.8	0	0	0	0	113.4	G173 G214	G173-S212 WeakPolarHBondContact O-CB 3.48Å; G173-S212 PolarHBondContact O-N 3.48Å; G173-S212 PolarHBondContact O-OG 3.02Å; G173-S212 VanDerWaalsContact O-OG 3.09Å; S212-G214 VanDerWaalsContact C-N 3.25Å
213	S	79.4	Confident	72.8	Confident	81 Å²	81	70.3 Å²	70.3	57%	0.566	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-6.2	170.5	55.8	0	0	0	0	113.1	S211 E215	S211-S213 PolarHBondContact O-N 3.05Å; S211-S213 PolarHBondContact OG-N 3.11Å; S211-S213 PolarHBondContact OG-OG 2.94Å; S213-E215 VanDerWaalsContact C-N 3.29Å; S213-E215 WeakPolarHBondContact CB-OE2 3.38Å; S213-E215 PolarHBondContact OG-OE2 2.95Å
214	G	78.7	Confident	73.1	Confident	33 Å²	33	59.3 Å²	59.3	34%	0.34	31%	0.309	S	S	.	.	S	Bend	trans	82.9	2.5	-176.2	0	0	0	0	0	114	R210 S211 S212	R210-G214 WeakPolarHBondContact CD-O 3.33Å; R210-G214 PolarHBondContact NH1-O 3.36Å; S211-G214 WeakPolarHBondContact O-CA 3.22Å; S211-G214 PolarHBondContact O-N 3.26Å; S211-G214 PolarHBondContact OG-N 3.47Å; S212-G214 VanDerWaalsContact C-N 3.25Å
215	E	77.7	Confident	72.6	Confident	62 Å²	62	54 Å²	54	29%	0.29	29%	0.285	S	S	.	.			trans	-81.5	141.9	-179.5	-66.5	172.2	112.7	0	0	110.7	H179 R210 S211 S213 D219 V220	H179-E215 PolarHBondContact NE2-O 3.49Å; R210-E215 WeakPolarHBondContact CA-O 3.29Å; S211-E215 PolarHBondContact N-O 3.13Å; S211-E215 PolarHBondContact OG-N 3.44Å; S211-E215 PolarHBondContact OG-O 3.31Å; S213-E215 VanDerWaalsContact C-N 3.29Å; S213-E215 WeakPolarHBondContact CB-OE2 3.38Å; S213-E215 PolarHBondContact OG-OE2 2.95Å; E215-D219 HydrophobicContact CB-CB 4.04Å; E215-D219 HydrophobicContact CG-CB 4.42Å; E215-V220 HydrophobicContact CB-CG2 4.26Å
216	T	79.1	Confident	71.8	Confident	4 Å²	4	57.1 Å²	57.1	3%	0.025	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-83.7	169.1	166.8	67.8	0	0	0	0	110.9	H179 R210 G218 D219 V220 E235	H179-T216 VanDerWaalsContact NE2-C 3.31Å; R210-T216 HydrophobicContact CG-CG2 4.11Å; T216-G218 PolarHBondContact O-N 3.05Å; T216-G218 PolarHBondContact OG1-N 2.91Å; T216-D219 PolarHBondContact N-OD2 2.7Å; T216-D219 WeakPolarHBondContact O-CB 3.46Å; T216-D219 PolarHBondContact O-N 3.5Å; T216-D219 VanDerWaalsContact O-N 3.14Å; T216-D219 PolarHBondContact OG1-N 3.4Å; T216-D219 VanDerWaalsContact OG1-N 3.09Å; T216-D219 PolarHBondContact OG1-OD2 3.29Å; T216-V220 WeakPolarHBondContact O-CG2 3.07Å; T216-V220 PolarHBondContact O-N 2.99Å; T216-E235 VanDerWaalsContact CB-OE1 3.25Å; T216-E235 WeakPolarHBondContact CB-OE1 3.25Å; T216-E235 PolarHBondContact OG1-OE1 2.84Å
217	A	73.9	Confident	71.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61	-31.6	172.8	0	0	0	0	0	111.8	L178 H179 A182 V220 A221 F231	L178-A217 HydrophobicContact CB-CB 4.25Å; L178-A217 HydrophobicContact CD2-CB 3.74Å; L178-A217 HydrophobicContact CG-CB 3.71Å; H179-A217 PolarHBondContact CD2-N 2.93Å; H179-A217 PolarHBondContact NE2-N 2.91Å; H179-A217 VanDerWaalsContact NE2-N 3.14Å; A182-A217 WeakPolarHBondContact CB-O 3.43Å; A217-V220 PolarHBondContact O-N 3.25Å; A217-A221 WeakPolarHBondContact O-CB 3.43Å; A217-A221 PolarHBondContact O-N 2.98Å; A217-F231 HydrophobicContact CB-CD1 4.14Å; A217-F231 HydrophobicContact CB-CE1 3.81Å
218	G	67.6	Low	70.9	Confident	4 Å²	4	58.8 Å²	58.8	4%	0.041	31%	0.31	C	S	.	.	H	α-helix	trans	-68	-40.2	173.2	0	0	0	0	0	113.2	T216 V220 A221 R222	T216-G218 PolarHBondContact O-N 3.05Å; T216-G218 PolarHBondContact OG1-N 2.91Å; G218-V220 VanDerWaalsContact C-N 3.31Å; G218-V220 PolarHBondContact O-N 3.34Å; G218-A221 WeakPolarHBondContact O-CB 3.08Å; G218-A221 PolarHBondContact O-N 3.31Å; G218-R222 PolarHBondContact O-N 2.97Å
219	D	73.8	Confident	70.3	Confident	35 Å²	35	60.7 Å²	60.7	19%	0.187	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-41.1	174	-67	-38.5	0	0	0	111.6	R210 E215 T216 R222 R223	R210-D219 IonicContact NH1-OD2 3.96Å; E215-D219 HydrophobicContact CB-CB 4.04Å; E215-D219 HydrophobicContact CG-CB 4.42Å; T216-D219 PolarHBondContact N-OD2 2.7Å; T216-D219 WeakPolarHBondContact O-CB 3.46Å; T216-D219 PolarHBondContact O-N 3.5Å; T216-D219 VanDerWaalsContact O-N 3.14Å; T216-D219 PolarHBondContact OG1-N 3.4Å; T216-D219 VanDerWaalsContact OG1-N 3.09Å; T216-D219 PolarHBondContact OG1-OD2 3.29Å; D219-R222 WeakPolarHBondContact O-CB 3.4Å; D219-R222 PolarHBondContact O-N 3.25Å; D219-R222 IonicContact OD1-CZ 3.84Å; D219-R222 IonicContact OD1-NH1 3.94Å; D219-R222 PolarHBondContact OD1-NH1 3.05Å; D219-R222 IonicContact OD1-NH2 2.86Å; D219-R222 PolarHBondContact OD1-NH2 3.05Å; D219-R223 PolarHBondContact O-N 2.93Å
220	V	75.7	Confident	69.7	Low	24 Å²	24	59.4 Å²	59.4	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-45.6	174.1	175	0	0	0	0	110.8	A182 E215 T216 A217 G218 R222 R223 S224	A182-V220 HydrophobicContact CB-CB 4.49Å; A182-V220 HydrophobicContact CB-CG1 4.24Å; E215-V220 HydrophobicContact CB-CG2 4.26Å; T216-V220 WeakPolarHBondContact O-CG2 3.07Å; T216-V220 PolarHBondContact O-N 2.99Å; A217-V220 PolarHBondContact O-N 3.25Å; G218-V220 VanDerWaalsContact C-N 3.31Å; G218-V220 PolarHBondContact O-N 3.34Å; V220-R222 VanDerWaalsContact C-N 3.29Å; V220-R222 PolarHBondContact O-N 2.74Å; V220-R223 PolarHBondContact O-N 3.41Å; V220-R223 VanDerWaalsContact O-N 3.1Å; V220-S224 PolarHBondContact O-N 2.96Å; V220-S224 VanDerWaalsContact O-N 3.1Å; V220-S224 PolarHBondContact O-OG 2.82Å; V220-S224 VanDerWaalsContact O-OG 3.12Å
221	A	70.4	Confident	68.8	Low	1 Å²	1	52.7 Å²	52.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-58.9	-38.4	178.1	0	0	0	0	0	112.9	A182 A217 G218 R223 S224 G225 F231	A182-A221 HydrophobicContact CB-CB 4.1Å; A217-A221 WeakPolarHBondContact O-CB 3.43Å; A217-A221 PolarHBondContact O-N 2.98Å; G218-A221 WeakPolarHBondContact O-CB 3.08Å; G218-A221 PolarHBondContact O-N 3.31Å; A221-R223 PolarHBondContact O-N 2.88Å; A221-S224 VanDerWaalsContact CA-OG 3.23Å; A221-S224 WeakPolarHBondContact CA-OG 3.36Å; A221-S224 PolarHBondContact O-N 2.85Å; A221-S224 PolarHBondContact O-OG 2.68Å; A221-G225 PolarHBondContact O-N 3.23Å; A221-G225 VanDerWaalsContact O-N 3.09Å; A221-F231 HydrophobicContact CB-CB 4.43Å; A221-F231 HydrophobicContact CB-CD1 4.32Å; A221-F231 HydrophobicContact CB-CD2 3.28Å; A221-F231 HydrophobicContact CB-CE1 4.41Å; A221-F231 HydrophobicContact CB-CE2 3.4Å; A221-F231 VanDerWaalsContact CB-CE2 3.4Å; A221-F231 HydrophobicContact CB-CG 3.77Å; A221-F231 HydrophobicContact CB-CZ 3.97Å
222	R	70.1	Confident	67.6	Low	153 Å²	153	55.7 Å²	55.7	58%	0.577	29%	0.286	S	S	*	.	H	α-helix	trans	-60.9	-33	177.4	-167.6	-174.6	-59.8	118	4.1	112.3	G218 D219 V220	G218-R222 PolarHBondContact O-N 2.97Å; D219-R222 WeakPolarHBondContact O-CB 3.4Å; D219-R222 PolarHBondContact O-N 3.25Å; D219-R222 IonicContact OD1-CZ 3.84Å; D219-R222 IonicContact OD1-NH1 3.94Å; D219-R222 PolarHBondContact OD1-NH1 3.05Å; D219-R222 IonicContact OD1-NH2 2.86Å; D219-R222 PolarHBondContact OD1-NH2 3.05Å; V220-R222 VanDerWaalsContact C-N 3.29Å; V220-R222 PolarHBondContact O-N 2.74Å
223	R	68	Low	66.2	Low	202 Å²	202	54.2 Å²	54.2	76%	0.762	27%	0.269	S	S	*	.	H	α-helix	trans	-83.3	-28.4	177.5	-64.2	176.1	59.2	95.8	5.7	112.4	D219 V220 A221	D219-R223 PolarHBondContact O-N 2.93Å; V220-R223 PolarHBondContact O-N 3.41Å; V220-R223 VanDerWaalsContact O-N 3.1Å; A221-R223 PolarHBondContact O-N 2.88Å
224	S	63.4	Low	65.1	Low	20 Å²	20	51.8 Å²	51.8	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-82.1	-58	-176.1	48.6	0	0	0	0	111.6	A182 S185 N186 V220 A221	A182-S224 WeakPolarHBondContact O-CB 3.42Å; A182-S224 PolarHBondContact O-OG 2.9Å; S185-S224 PolarHBondContact OG-OG 2.77Å; N186-S224 VanDerWaalsContact CG-C 3.41Å; N186-S224 WeakPolarHBondContact ND2-CA 3.13Å; N186-S224 WeakPolarHBondContact ND2-CB 3.16Å; N186-S224 PolarHBondContact ND2-O 2.58Å; N186-S224 WeakPolarHBondContact OD1-CA 3.21Å; N186-S224 WeakPolarHBondContact OD1-CB 3.32Å; N186-S224 PolarHBondContact OD1-O 2.75Å; V220-S224 PolarHBondContact O-N 2.96Å; V220-S224 VanDerWaalsContact O-N 3.1Å; V220-S224 PolarHBondContact O-OG 2.82Å; V220-S224 VanDerWaalsContact O-OG 3.12Å; A221-S224 VanDerWaalsContact CA-OG 3.23Å; A221-S224 WeakPolarHBondContact CA-OG 3.36Å; A221-S224 PolarHBondContact O-N 2.85Å; A221-S224 PolarHBondContact O-OG 2.68Å
225	G	59.4	Low	63.8	Low	20 Å²	20	52.1 Å²	52.1	21%	0.206	24%	0.243	C	C	.	.			trans	179.2	-158.7	-171.8	0	0	0	0	0	117.6	N186 A221 Y227 Y228	N186-G225 PolarHBondContact OD1-N 2.58Å; A221-G225 PolarHBondContact O-N 3.23Å; A221-G225 VanDerWaalsContact O-N 3.09Å; G225-Y227 PolarHBondContact O-N 2.92Å; G225-Y227 VanDerWaalsContact O-N 3.12Å; G225-Y228 PolarHBondContact O-N 3.1Å
226	P	54.1	Low	62.5	Low	89 Å²	89	53 Å²	53	58%	0.578	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-12.8	-163.3	28.2	-35.3	0	0	0	114.6	Y228 F229	P226-Y228 VanDerWaalsContact C-N 3.28Å; P226-Y228 PolarHBondContact O-N 3.47Å; P226-F229 WeakPolarHBondContact O-CD1 3.47Å; P226-F229 WeakPolarHBondContact O-CE1 3.39Å
227	Y	57.3	Low	60.8	Low	67 Å²	67	55.3 Å²	55.3	26%	0.263	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	7.6	-177.7	-58.2	-78.6	0	0	0	113.9	A193 G225 F229 L230 F231	A193-Y227 HydrophobicContact CB-CD1 4.07Å; A193-Y227 HydrophobicContact CB-CE1 3.56Å; G225-Y227 PolarHBondContact O-N 2.92Å; G225-Y227 VanDerWaalsContact O-N 3.12Å; Y227-F229 PolarHBondContact O-N 3.14Å; Y227-L230 PolarHBondContact O-N 3.47Å; Y227-F231 WeakPolarHBondContact O-CD2 3.46Å
228	Y	59.1	Low	59.4	Low	103 Å²	103	58.8 Å²	58.8	40%	0.404	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-26.7	179.9	80.2	-88.8	0	0	0	113.7	G225 P226 L230 F231 E232	G225-Y228 PolarHBondContact O-N 3.1Å; P226-Y228 VanDerWaalsContact C-N 3.28Å; P226-Y228 PolarHBondContact O-N 3.47Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 PolarHBondContact O-N 3.44Å; Y228-F231 WeakPolarHBondContact O-CB 3.29Å; Y228-F231 PolarHBondContact O-N 3.03Å; Y228-E232 PolarHBondContact O-N 3.48Å; Y228-E232 VanDerWaalsContact O-N 3.17Å
229	F	55.2	Low	58.1	Low	88 Å²	88	64.8 Å²	64.8	39%	0.386	32%	0.318	S	S	.	.	H	α-helix	trans	-62.6	-32.1	179.1	68.5	-90.4	0	0	0	112.6	P226 Y227 F231 E232 M233	P226-F229 WeakPolarHBondContact O-CD1 3.47Å; P226-F229 WeakPolarHBondContact O-CE1 3.39Å; Y227-F229 PolarHBondContact O-N 3.14Å; F229-F231 PolarHBondContact O-N 3.3Å; F229-E232 PolarHBondContact O-N 3.42Å; F229-M233 WeakPolarHBondContact O-CG 3.42Å; F229-M233 PolarHBondContact O-N 3.27Å; F229-M233 VanDerWaalsContact O-N 3.1Å
230	L	58.9	Low	56.4	Low	13 Å²	13	66 Å²	66	7%	0.068	33%	0.333	C	S	.	.	H	α-helix	trans	-63.7	-30.4	175.5	-69.3	174.5	0	0	0	111.5	E197 L200 Y227 Y228 V234	E197-L230 HydrophobicContact CG-CD1 4.12Å; L200-L230 HydrophobicContact CD1-CB 3.86Å; Y227-L230 PolarHBondContact O-N 3.47Å; Y228-L230 VanDerWaalsContact C-N 3.26Å; Y228-L230 PolarHBondContact O-N 3.44Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.01Å
231	F	58.2	Low	54.5	Low	5 Å²	5	70 Å²	70	2%	0.022	36%	0.357	C	S	.	.	H	α-helix	trans	-81.3	-36.9	178.6	-66.7	-94.4	0	0	0	112.4	L178 A182 L196 A217 A221 Y227 Y228 F229 M233 V234 E235	L178-F231 HydrophobicContact CD1-CE1 3.96Å; L178-F231 HydrophobicContact CD1-CZ 4.48Å; L178-F231 HydrophobicContact CD2-CE1 4.31Å; L178-F231 HydrophobicContact CG-CE1 3.92Å; A182-F231 HydrophobicContact CB-CE1 3.87Å; A182-F231 HydrophobicContact CB-CE2 4.17Å; A182-F231 HydrophobicContact CB-CZ 3.4Å; A182-F231 VanDerWaalsContact CB-CZ 3.4Å; L196-F231 HydrophobicContact CD1-CE2 4.08Å; L196-F231 HydrophobicContact CD1-CZ 4.21Å; L196-F231 HydrophobicContact CD2-CE1 4.34Å; L196-F231 HydrophobicContact CD2-CE2 4.13Å; L196-F231 HydrophobicContact CD2-CZ 3.45Å; L196-F231 VanDerWaalsContact CD2-CZ 3.45Å; L196-F231 HydrophobicContact CG-CZ 4.43Å; A217-F231 HydrophobicContact CB-CD1 4.14Å; A217-F231 HydrophobicContact CB-CE1 3.81Å; A221-F231 HydrophobicContact CB-CB 4.43Å; A221-F231 HydrophobicContact CB-CD1 4.32Å; A221-F231 HydrophobicContact CB-CD2 3.28Å; A221-F231 HydrophobicContact CB-CE1 4.41Å; A221-F231 HydrophobicContact CB-CE2 3.4Å; A221-F231 VanDerWaalsContact CB-CE2 3.4Å; A221-F231 HydrophobicContact CB-CG 3.77Å; A221-F231 HydrophobicContact CB-CZ 3.97Å; Y227-F231 WeakPolarHBondContact O-CD2 3.46Å; Y228-F231 WeakPolarHBondContact O-CB 3.29Å; Y228-F231 PolarHBondContact O-N 3.03Å; F229-F231 PolarHBondContact O-N 3.3Å; F231-M233 VanDerWaalsContact C-N 3.31Å; F231-M233 PolarHBondContact O-N 2.95Å; F231-V234 PolarHBondContact O-N 3.34Å; F231-V234 VanDerWaalsContact O-N 3.08Å; F231-E235 PolarHBondContact O-N 3.13Å
232	E	56.6	Low	52.8	Low	71 Å²	71	74.8 Å²	74.8	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-59.4	-44.9	173.2	-163.6	170.4	-180	0	0	110.3	Q2 Y228 F229 V234 E235 D236	Q2-E232 VanDerWaalsContact CD-OE2 3.23Å; Q2-E232 PolarHBondContact NE2-OE2 2.9Å; Q2-E232 PolarHBondContact OE1-OE1 2.93Å; Q2-E232 PolarHBondContact OE1-OE2 3.3Å; Y228-E232 PolarHBondContact O-N 3.48Å; Y228-E232 VanDerWaalsContact O-N 3.17Å; F229-E232 PolarHBondContact O-N 3.42Å; E232-V234 PolarHBondContact O-N 2.86Å; E232-E235 PolarHBondContact O-N 2.82Å; E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 2.59Å
233	M	54.3	Low	51	Low	64 Å²	64	71.9 Å²	71.9	32%	0.315	39%	0.391	S	S	.	.	H	α-helix	trans	-56.9	-35.3	173.6	-71.8	-178.8	67.5	0	0	113.1	L5 L9 F229 F231 C237	L5-M233 HydrophobicContact CD2-CE 4.04Å; L5-M233 HydrophobicContact CD2-SD 3.96Å; L9-M233 HydrophobicContact CD1-CE 3.58Å; F229-M233 WeakPolarHBondContact O-CG 3.42Å; F229-M233 PolarHBondContact O-N 3.27Å; F229-M233 VanDerWaalsContact O-N 3.1Å; F231-M233 VanDerWaalsContact C-N 3.31Å; F231-M233 PolarHBondContact O-N 2.95Å; M233-C237 WeakPolarHBondContact O-CB 3.38Å; M233-C237 PolarHBondContact O-N 2.97Å; M233-C237 PolarHBondContact O-SG 3.02Å
234	V	55.3	Low	49.6	Very low	29 Å²	29	69 Å²	69	18%	0.176	40%	0.396	C	S	.	.	H	α-helix	trans	-86.5	-37.9	-172.9	167.2	0	0	0	0	111.7	L200 P207 L230 F231 E232 C237 V238	L200-V234 HydrophobicContact CB-CG2 4.47Å; L200-V234 HydrophobicContact CD1-CG2 3.93Å; L200-V234 HydrophobicContact CD2-CB 4.07Å; L200-V234 HydrophobicContact CD2-CG1 3.8Å; L200-V234 HydrophobicContact CD2-CG2 3.45Å; L200-V234 VanDerWaalsContact CD2-CG2 3.45Å; L200-V234 HydrophobicContact CG-CG2 4.12Å; P207-V234 HydrophobicContact CB-CG1 3.44Å; P207-V234 VanDerWaalsContact CB-CG1 3.44Å; P207-V234 HydrophobicContact CG-CG1 3.45Å; P207-V234 VanDerWaalsContact CG-CG1 3.45Å; L230-V234 WeakPolarHBondContact O-CG2 3.48Å; L230-V234 PolarHBondContact O-N 3.01Å; F231-V234 PolarHBondContact O-N 3.34Å; F231-V234 VanDerWaalsContact O-N 3.08Å; E232-V234 PolarHBondContact O-N 2.86Å; V234-C237 PolarHBondContact O-N 3.03Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 2.76Å; V234-V238 VanDerWaalsContact O-N 3.12Å
235	E	52.4	Low	48.2	Very low	40 Å²	40	73.4 Å²	73.4	19%	0.187	42%	0.422	C	S	.	.	H	α-helix	trans	-65.6	-40.6	172.4	-71.6	-174.5	165.2	0	0	111.3	T216 F231 E232 V238 N239	T216-E235 VanDerWaalsContact CB-OE1 3.25Å; T216-E235 WeakPolarHBondContact CB-OE1 3.25Å; T216-E235 PolarHBondContact OG1-OE1 2.84Å; F231-E235 PolarHBondContact O-N 3.13Å; E232-E235 PolarHBondContact O-N 2.82Å; E235-V238 PolarHBondContact O-N 3.47Å; E235-N239 VanDerWaalsContact O-CG 3.31Å; E235-N239 PolarHBondContact O-N 2.92Å; E235-N239 PolarHBondContact O-ND2 3.45Å
236	D	48.8	Very low	46.9	Very low	82 Å²	82	77 Å²	77	44%	0.439	45%	0.45	S	S	.	.	H	α-helix	trans	-66.4	-37.5	175	-78.4	-10.5	0	0	0	112.3	E232 V238 N239 A240	E232-D236 WeakPolarHBondContact O-CB 3.46Å; E232-D236 PolarHBondContact O-N 2.59Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 3.02Å; D236-N239 PolarHBondContact O-N 3.43Å; D236-A240 VanDerWaalsContact O-CB 3.23Å; D236-A240 WeakPolarHBondContact O-CB 3.39Å; D236-A240 PolarHBondContact O-N 3.31Å
237	C	43.3	Very low	46	Very low	51 Å²	51	81.8 Å²	81.8	35%	0.345	49%	0.486	S	S	.	.	H	α-helix	trans	-63.6	-36.5	173.4	-75.5	0	0	0	0	113	W13 M233 V234	W13-C237 HydrophobicContact CH2-CB 3.95Å; M233-C237 WeakPolarHBondContact O-CB 3.38Å; M233-C237 PolarHBondContact O-N 2.97Å; M233-C237 PolarHBondContact O-SG 3.02Å; V234-C237 PolarHBondContact O-N 3.03Å
238	V	44.9	Very low	45.4	Very low	73 Å²	73	82.6 Å²	82.6	44%	0.442	50%	0.497	S	S	.	.	H	α-helix	trans	-75.1	-35	178.6	168.9	0	0	0	0	111.9	P207 V234 E235 D236 A240	P207-V238 HydrophobicContact CG-CB 4.35Å; P207-V238 HydrophobicContact CG-CG2 3.46Å; P207-V238 VanDerWaalsContact CG-CG2 3.46Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 2.76Å; V234-V238 VanDerWaalsContact O-N 3.12Å; E235-V238 PolarHBondContact O-N 3.47Å; D236-V238 VanDerWaalsContact C-N 3.34Å; D236-V238 PolarHBondContact O-N 3.02Å; V238-A240 VanDerWaalsContact C-N 3.3Å
239	N	41.2	Very low	44.7	Very low	130 Å²	130	81.5 Å²	81.5	70%	0.695	50%	0.502	S	S	*	.	H	α-helix	trans	-76.4	-17.6	174.9	-67.3	-36.7	0	0	0	113.1	E235 D236	E235-N239 VanDerWaalsContact O-CG 3.31Å; E235-N239 PolarHBondContact O-N 2.92Å; E235-N239 PolarHBondContact O-ND2 3.45Å; D236-N239 PolarHBondContact O-N 3.43Å
240	A	38.5	Very low	44.1	Very low	61 Å²	61	81.1 Å²	81.1	50%	0.504	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-7.2	177.2	0	0	0	0	0	114.4	D236 V238 P242	D236-A240 VanDerWaalsContact O-CB 3.23Å; D236-A240 WeakPolarHBondContact O-CB 3.39Å; D236-A240 PolarHBondContact O-N 3.31Å; V238-A240 VanDerWaalsContact C-N 3.3Å; A240-P242 WeakPolarHBondContact O-CD 3.34Å
241	V	34.8	Very low	43.2	Very low	107 Å²	107	85.1 Å²	85.1	65%	0.648	53%	0.534	S	S	*	.	S	Bend	trans	-80	104.3	167.7	-174.6	0	0	0	0	106.8	S243	V241-S243 PolarHBondContact O-N 3.32Å; V241-S243 VanDerWaalsContact O-N 3.16Å
242	P	34.1	Very low	42.3	Very low	102 Å²	102	90.1 Å²	90.1	66%	0.662	57%	0.566	S	S	*	*			trans	-62.7	128.1	176.1	-7.8	25.1	0	0	0	106	A240 V244	A240-P242 WeakPolarHBondContact O-CD 3.34Å; P242-V244 PolarHBondContact O-N 3.48Å
243	S	33.9	Very low	41.3	Very low	92 Å²	92	91.4 Å²	91.4	64%	0.643	58%	0.582	S	S	*	*			trans	-47.6	112.1	159.8	54.6	0	0	0	0	106.3	V241 T245	V241-S243 PolarHBondContact O-N 3.32Å; V241-S243 VanDerWaalsContact O-N 3.16Å; S243-T245 PolarHBondContact O-N 3.39Å
244	V	37.9	Very low	40.4	Very low	143 Å²	143	93.4 Å²	93.4	87%	0.867	60%	0.601	S	S	*	*			trans	-63.8	88.2	166.2	-178.7	0	0	0	0	104.2	P242 A246	P242-V244 PolarHBondContact O-N 3.48Å; V244-A246 PolarHBondContact O-N 2.9Å
245	T	34.5	Very low	39.3	Very low	111 Å²	111	98.3 Å²	98.3	68%	0.681	63%	0.633	S	S	*	*			trans	-67.7	95.9	168.6	34.3	0	0	0	0	103.9	S243 S247	S243-T245 PolarHBondContact O-N 3.39Å; T245-S247 PolarHBondContact O-N 3.1Å
246	A	31.5	Very low	38.2	Very low	95 Å²	95	103.2 Å²	103.2	79%	0.785	67%	0.671	S	S	*	*			trans	-52.1	121.8	168.3	0	0	0	0	0	107.5	V244	V244-A246 PolarHBondContact O-N 2.9Å
247	S	34.7	Very low	37.2	Very low	191 Å²	191	105.1 Å²	105.1	100%	1.336	69%	0.692	S	S	*	*			trans	-70.3	0	179.8	-39.8	0	0	0	0	111.6	T245	T245-S247 PolarHBondContact O-N 3.1Å

Retrieved 247 of 247 residues in 320.7 ms (Link to these results)

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