A0A096NQ24_PAPAN Loading...

OCIA domain-containing protein 1

Maintains stem cell potency. Increases STAT3 phosphorylation and controls ERK phosphorylation. May act as a scaffold, increasing STAT3 recruitment onto endosomes.

AlphaFold DB , UniProt , Accession A0A096NQ24, Species PAPAN (Papio anubis, Olive baboon), Gene OCIAD1, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	39.9	Very low	238 Å²	238	168.1 Å²	168.1	100%	1.172	87%	0.869	S	S	*	*				0	101.8	0	-72.1	142.6	93.3	0	0	106.8
2	N	37.2	Very low	40.1	Very low	174 Å²	174	161.9 Å²	161.9	93%	0.93	86%	0.862	S	S	*	*			trans	-96.2	108	-176.1	-67.9	-18.5	0	0	0	108.6
3	G	39	Very low	40.1	Very low	82 Å²	82	163 Å²	163	85%	0.845	86%	0.859	S	S	*	*			trans	-101	96.9	172.8	0	0	0	0	0	110.1
4	R	39.7	Very low	40.6	Very low	235 Å²	235	159.9 Å²	159.9	89%	0.887	85%	0.849	S	S	*	*			trans	-86	110.4	171.5	-167.7	175.3	-171.5	109.1	-1.8	107.1	D6	R4-D6 PolarHBondContact O-N 2.98Å
5	A	45.8	Very low	40.6	Very low	94 Å²	94	157.2 Å²	157.2	78%	0.777	84%	0.844	S	S	*	*			trans	-78.6	113	172.1	0	0	0	0	0	108.6	F7	A5-F7 PolarHBondContact O-N 3.27Å
6	D	41.1	Very low	41.1	Very low	150 Å²	150	159.6 Å²	159.6	80%	0.802	84%	0.837	S	S	*	*			trans	-69.1	107.3	170	-104.1	-71.9	0	0	0	109.2	R4 R8	R4-D6 PolarHBondContact O-N 2.98Å; D6-R8 PolarHBondContact O-N 3.16Å
7	F	38.4	Very low	41.3	Very low	205 Å²	205	157.4 Å²	157.4	90%	0.899	84%	0.835	S	S	*	*			trans	-82.3	94.3	169.9	-139.5	-91.6	0	0	0	107.4	A5 E9	A5-F7 PolarHBondContact O-N 3.27Å; F7-E9 PolarHBondContact O-N 3.41Å
8	R	38.5	Very low	41.7	Very low	231 Å²	231	154.8 Å²	154.8	87%	0.872	82%	0.82	S	S	*	*			trans	-84.3	104.7	175.1	-170.4	164.4	-177.1	154.7	-1.3	108.9	D6	D6-R8 PolarHBondContact O-N 3.16Å
9	E	41	Very low	42.4	Very low	165 Å²	165	149.5 Å²	149.5	77%	0.771	80%	0.795	S	S	*	*			trans	-53.9	127.1	169	-82.3	-173.4	91.5	0	0	110.5	F7 N11	F7-E9 PolarHBondContact O-N 3.41Å; E9-N11 PolarHBondContact O-N 3.39Å
10	P	42.6	Very low	42.6	Very low	120 Å²	120	151.2 Å²	151.2	78%	0.779	80%	0.798	S	S	*	*			trans	-75.2	118.2	163.3	28.5	-26.5	0	0	0	107.9	A12	P10-A12 PolarHBondContact O-N 2.92Å; P10-A12 VanDerWaalsContact O-N 3.15Å
11	N	37.3	Very low	43.1	Very low	155 Å²	155	147.6 Å²	147.6	83%	0.829	78%	0.779	S	S	*	*			trans	-44.5	120.9	170.9	-75.4	-84.6	0	0	0	109.7	E9 E13	E9-N11 PolarHBondContact O-N 3.39Å; N11-E13 PolarHBondContact O-N 2.93Å
12	A	41.5	Very low	43.7	Very low	94 Å²	94	137.9 Å²	137.9	78%	0.777	74%	0.74	S	S	*	*			trans	-62.5	100.1	169.5	0	0	0	0	0	108.2	P10 V14	P10-A12 PolarHBondContact O-N 2.92Å; P10-A12 VanDerWaalsContact O-N 3.15Å; A12-V14 PolarHBondContact O-N 2.93Å
13	E	40.5	Very low	44.6	Very low	176 Å²	176	136 Å²	136	82%	0.822	74%	0.737	S	S	*	*			trans	-56.8	106.5	168.4	-165.2	91.1	-162.6	0	0	107.5	N11 P15	N11-E13 PolarHBondContact O-N 2.93Å; E13-P15 VanDerWaalsContact O-CD 3.27Å; E13-P15 WeakPolarHBondContact O-CD 3.41Å
14	V	48	Very low	45.1	Very low	120 Å²	120	139.2 Å²	139.2	73%	0.727	74%	0.735	S	S	*	*			trans	-58.9	118.5	172.5	175.9	0	0	0	0	107.3	A12 R16	A12-V14 PolarHBondContact O-N 2.93Å; V14-R16 PolarHBondContact O-N 3.08Å
15	P	40.3	Very low	45.9	Very low	119 Å²	119	131.2 Å²	131.2	77%	0.773	71%	0.705	S	S	*	*			trans	-61.7	113.7	177.8	-21.4	33.1	0	0	0	109.1	E13	E13-P15 VanDerWaalsContact O-CD 3.27Å; E13-P15 WeakPolarHBondContact O-CD 3.41Å
16	R	48.6	Very low	46.3	Very low	195 Å²	195	133.8 Å²	133.8	74%	0.736	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.9	135.6	173.2	-67.6	-158.5	-69.6	-150.1	-0.9	108.8	V14 I18	V14-R16 PolarHBondContact O-N 3.08Å; R16-I18 PolarHBondContact O-N 3.25Å
17	P	43.8	Very low	47.2	Very low	122 Å²	122	130.2 Å²	130.2	79%	0.792	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-61.5	125.5	-178.4	21.8	-29.3	0	0	0	109.8
18	I	49.5	Very low	48.4	Very low	112 Å²	112	123.2 Å²	123.2	57%	0.574	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-53.6	123.7	176.9	-59.7	169.7	0	0	0	108.1	R16 H20	R16-I18 PolarHBondContact O-N 3.25Å; I18-H20 PolarHBondContact O-N 3.36Å
19	P	54.9	Low	49.4	Very low	53 Å²	53	120.1 Å²	120.1	34%	0.344	66%	0.658	S	S	.	*			trans	-65.9	112.2	171.4	-13.8	27.7	0	0	0	107.8	I21 P109	P19-I21 PolarHBondContact O-N 3.05Å; P19-P109 HydrophobicContact CG-CB 4.05Å
20	H	46.2	Very low	50.2	Low	183 Å²	183	117.8 Å²	117.8	85%	0.847	65%	0.648	S	S	*	*			trans	-63	103.7	166.8	-71.1	-86.8	0	0	0	107.4	I18 G22	I18-H20 PolarHBondContact O-N 3.36Å; H20-G22 PolarHBondContact O-N 2.92Å
21	I	52.8	Low	51.2	Low	77 Å²	77	112.4 Å²	112.4	40%	0.395	61%	0.612	S	S	.	*			trans	-70.1	84.4	169.7	-70	134.8	0	0	0	107.1	P19 L110 A113	P19-I21 PolarHBondContact O-N 3.05Å; I21-L110 HydrophobicContact CD1-CD1 4.3Å; I21-L110 HydrophobicContact CG1-CD1 4.48Å; I21-A113 HydrophobicContact CD1-CB 2.97Å; I21-A113 HydrophobicContact CG1-CB 4.46Å
22	G	51.6	Low	52.4	Low	34 Å²	34	114.3 Å²	114.3	35%	0.351	61%	0.608	S	S	.	*			trans	-80.4	170.8	165.8	0	0	0	0	0	111	H20 D24 Y25	H20-G22 PolarHBondContact O-N 2.92Å; G22-D24 PolarHBondContact O-N 3.06Å; G22-Y25 PolarHBondContact O-N 3.15Å
23	P	55.2	Low	53.7	Low	134 Å²	134	118.1 Å²	118.1	87%	0.87	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.9	-9.1	179.2	26	-34.6	0	0	0	114.7
24	D	49.7	Very low	55	Low	150 Å²	150	111 Å²	111	80%	0.802	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	22.4	179.5	-55.2	-45.9	0	0	0	113.4	G22 I26	G22-D24 PolarHBondContact O-N 3.06Å; D24-I26 PolarHBondContact O-N 3.47Å
25	Y	57	Low	56	Low	67 Å²	67	111.4 Å²	111.4	26%	0.263	56%	0.563	S	S	.	*			trans	-69.9	114.4	176.5	-178.5	-105.2	0	0	0	110.9	G22 P27 E31 P109 L110	G22-Y25 PolarHBondContact O-N 3.15Å; Y25-P27 HydrophobicContact CD1-CG 4.46Å; Y25-P27 HydrophobicContact CE1-CB 4.3Å; Y25-P27 VanDerWaalsContact O-CD 3.26Å; Y25-P27 WeakPolarHBondContact O-CD 3.49Å; Y25-E31 WeakPolarHBondContact CE1-OE2 3.33Å; Y25-E31 VanDerWaalsContact CZ-OE2 3.25Å; Y25-E31 PolarHBondContact OH-OE1 3.19Å; Y25-E31 PolarHBondContact OH-OE2 3.21Å; Y25-P109 HydrophobicContact CE2-CG 4.14Å; Y25-P109 WeakPolarHBondContact OH-CG 3.49Å; Y25-L110 HydrophobicContact CE1-CD1 4.35Å
26	I	54	Low	57.5	Low	147 Å²	147	108.5 Å²	108.5	75%	0.754	55%	0.548	S	S	*	.			trans	-82.3	109.4	172.7	-66.2	163	0	0	0	107.5	D24 T28	D24-I26 PolarHBondContact O-N 3.47Å; I26-T28 PolarHBondContact O-N 3.43Å
27	P	58.9	Low	58.8	Low	75 Å²	75	105.1 Å²	105.1	49%	0.487	54%	0.541	S	S	.	.			trans	-66.1	135.4	-179.2	-14.4	29.5	0	0	0	110.1	Y25 E31	Y25-P27 HydrophobicContact CD1-CG 4.46Å; Y25-P27 HydrophobicContact CE1-CB 4.3Å; Y25-P27 VanDerWaalsContact O-CD 3.26Å; Y25-P27 WeakPolarHBondContact O-CD 3.49Å; P27-E31 HydrophobicContact CB-CB 4.41Å
28	T	63.8	Low	60.4	Low	59 Å²	59	99.9 Å²	99.9	36%	0.362	51%	0.507	S	S	.	.			trans	-67	158.7	174.9	57	0	0	0	0	110.6	I26 E30 E31 R32	I26-T28 PolarHBondContact O-N 3.43Å; T28-E30 PolarHBondContact O-N 2.87Å; T28-E31 PolarHBondContact N-OE2 3.37Å; T28-E31 PolarHBondContact O-N 3.07Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.4Å; T28-E31 PolarHBondContact OG1-OE2 3.32Å; T28-R32 PolarHBondContact O-N 3.3Å
29	E	61.2	Low	61.5	Low	165 Å²	165	97.9 Å²	97.9	77%	0.771	50%	0.498	S	S	*	.	H	α-helix	trans	-59.4	-33.6	-178.4	-71.4	-173	157.8	0	0	112.8	R32 R33	E29-R32 PolarHBondContact O-N 3.19Å; E29-R33 PolarHBondContact O-N 3.21Å; E29-R33 VanDerWaalsContact O-N 3.1Å
30	E	57.6	Low	62.4	Low	117 Å²	117	100.2 Å²	100.2	55%	0.547	51%	0.507	S	S	.	.	H	α-helix	trans	-68.2	-36.9	176	-54.8	-61.5	171.8	0	0	111.7	T28 R33 V34	T28-E30 PolarHBondContact O-N 2.87Å; E30-R33 PolarHBondContact O-N 3.29Å; E30-V34 WeakPolarHBondContact O-CG2 3.27Å; E30-V34 PolarHBondContact O-N 2.9Å
31	E	62.5	Low	63.8	Low	7 Å²	7	94.6 Å²	94.6	3%	0.033	48%	0.481	C	S	.	.	H	α-helix	trans	-71.2	-36.9	175.5	-70.1	172.9	158.9	0	0	112.4	Y25 P27 T28 R33 F35 F102 S108 L110	Y25-E31 WeakPolarHBondContact CE1-OE2 3.33Å; Y25-E31 VanDerWaalsContact CZ-OE2 3.25Å; Y25-E31 PolarHBondContact OH-OE1 3.19Å; Y25-E31 PolarHBondContact OH-OE2 3.21Å; P27-E31 HydrophobicContact CB-CB 4.41Å; T28-E31 PolarHBondContact N-OE2 3.37Å; T28-E31 PolarHBondContact O-N 3.07Å; T28-E31 VanDerWaalsContact OG1-CG 3.24Å; T28-E31 WeakPolarHBondContact OG1-CG 3.4Å; T28-E31 PolarHBondContact OG1-OE2 3.32Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 2.98Å; E31-F35 VanDerWaalsContact O-CB 3.24Å; E31-F35 WeakPolarHBondContact O-CB 3.36Å; E31-F35 PolarHBondContact O-N 3.08Å; E31-F102 HydrophobicContact CB-CE1 4.06Å; E31-F102 HydrophobicContact CG-CE1 4.04Å; E31-F102 WeakPolarHBondContact O-CZ 3.31Å; E31-S108 WeakPolarHBondContact CG-OG 3.07Å; E31-S108 WeakPolarHBondContact OE1-CB 3.26Å; E31-S108 PolarHBondContact OE1-OG 3.23Å; E31-L110 VanDerWaalsContact OE1-CB 3.26Å; E31-L110 WeakPolarHBondContact OE1-CB 3.47Å
32	R	63.7	Low	64.5	Low	195 Å²	195	91 Å²	91	74%	0.736	46%	0.463	S	S	*	.	H	α-helix	trans	-65.4	-36.5	177.7	-163.5	177.6	-174.2	-134.8	0.9	111.8	T28 E29 A36	T28-R32 PolarHBondContact O-N 3.3Å; E29-R32 PolarHBondContact O-N 3.19Å; R32-A36 WeakPolarHBondContact O-CB 3.36Å; R32-A36 PolarHBondContact O-N 2.92Å; R32-A36 VanDerWaalsContact O-N 3.08Å
33	R	69.1	Low	65.5	Low	173 Å²	173	93.3 Å²	93.3	65%	0.653	46%	0.464	S	S	*	.	H	α-helix	trans	-67.2	-50.8	175.5	-84.1	-178.4	175.2	166.9	0.2	112.5	E29 E30 E31 F35 A36 E37	E29-R33 PolarHBondContact O-N 3.21Å; E29-R33 VanDerWaalsContact O-N 3.1Å; E30-R33 PolarHBondContact O-N 3.29Å; E31-R33 VanDerWaalsContact C-N 3.31Å; E31-R33 PolarHBondContact O-N 2.98Å; R33-F35 PolarHBondContact O-N 2.97Å; R33-A36 WeakPolarHBondContact O-CB 3.32Å; R33-A36 PolarHBondContact O-N 3.35Å; R33-A36 VanDerWaalsContact O-N 3.08Å; R33-E37 PolarHBondContact O-N 3.33Å
34	V	66.7	Low	66.4	Low	27 Å²	27	95 Å²	95	16%	0.164	45%	0.453	C	S	.	.	H	α-helix	trans	-64.6	-33.6	179.7	179.6	0	0	0	0	110.7	E30 C38 F102 L105	E30-V34 WeakPolarHBondContact O-CG2 3.27Å; E30-V34 PolarHBondContact O-N 2.9Å; V34-C38 WeakPolarHBondContact O-CB 3.46Å; V34-C38 PolarHBondContact O-N 3.35Å; V34-F102 HydrophobicContact CB-CD1 4.43Å; V34-F102 HydrophobicContact CB-CE1 3.72Å; V34-F102 HydrophobicContact CB-CE2 3.92Å; V34-F102 HydrophobicContact CB-CZ 3.43Å; V34-F102 VanDerWaalsContact CB-CZ 3.43Å; V34-F102 HydrophobicContact CG1-CD1 4.16Å; V34-F102 HydrophobicContact CG1-CD2 3.76Å; V34-F102 HydrophobicContact CG1-CE1 3.84Å; V34-F102 HydrophobicContact CG1-CE2 3.39Å; V34-F102 HydrophobicContact CG1-CG 4.14Å; V34-F102 HydrophobicContact CG1-CZ 3.45Å; V34-F102 VanDerWaalsContact CG1-CZ 3.45Å; V34-L105 HydrophobicContact CG2-CD2 3.97Å
35	F	69.6	Low	67.7	Low	129 Å²	129	96.5 Å²	96.5	57%	0.566	45%	0.453	S	S	*	.	H	α-helix	trans	-65	-40.8	173.7	-162.4	-87.5	0	0	0	112	E31 R33 N39 F102	E31-F35 VanDerWaalsContact O-CB 3.24Å; E31-F35 WeakPolarHBondContact O-CB 3.36Å; E31-F35 PolarHBondContact O-N 3.08Å; R33-F35 PolarHBondContact O-N 2.97Å; F35-N39 WeakPolarHBondContact O-CB 3.19Å; F35-N39 PolarHBondContact O-N 2.9Å; F35-F102 HydrophobicContact CB-CZ 4.26Å
36	A	70.9	Confident	68.5	Low	57 Å²	57	99.4 Å²	99.4	47%	0.471	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-45	177.7	0	0	0	0	0	112.1	R32 R33 N39 D40	R32-A36 WeakPolarHBondContact O-CB 3.36Å; R32-A36 PolarHBondContact O-N 2.92Å; R32-A36 VanDerWaalsContact O-N 3.08Å; R33-A36 WeakPolarHBondContact O-CB 3.32Å; R33-A36 PolarHBondContact O-N 3.35Å; R33-A36 VanDerWaalsContact O-N 3.08Å; A36-N39 WeakPolarHBondContact O-CB 2.84Å; A36-N39 PolarHBondContact O-N 2.97Å; A36-D40 PolarHBondContact O-N 2.88Å
37	E	75.9	Confident	69.7	Low	125 Å²	125	92.4 Å²	92.4	58%	0.584	43%	0.427	S	S	*	.	H	α-helix	trans	-65.1	-43.9	178.9	-173.2	155	-154.9	0	0	111.5	R33 N39 D40 E41	R33-E37 PolarHBondContact O-N 3.33Å; E37-N39 VanDerWaalsContact C-N 3.31Å; E37-N39 PolarHBondContact O-N 3.3Å; E37-D40 PolarHBondContact O-N 2.7Å; E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.29Å; E37-E41 PolarHBondContact O-N 3.08Å
38	C	77.2	Confident	70.8	Confident	12 Å²	12	91.7 Å²	91.7	8%	0.081	42%	0.422	C	S	.	.	H	α-helix	trans	-59.4	-41.8	171.8	166.4	0	0	0	0	112.4	V34 D40 S42 Y94 C98	V34-C38 WeakPolarHBondContact O-CB 3.46Å; V34-C38 PolarHBondContact O-N 3.35Å; C38-D40 VanDerWaalsContact C-N 3.32Å; C38-D40 PolarHBondContact O-N 2.95Å; C38-S42 VanDerWaalsContact O-CB 3.23Å; C38-S42 WeakPolarHBondContact O-CB 3.34Å; C38-S42 PolarHBondContact O-N 3.12Å; C38-S42 PolarHBondContact O-OG 3.34Å; C38-Y94 HydrophobicContact CB-CE1 4.11Å; C38-Y94 WeakPolarHBondContact O-CE1 3.48Å; C38-Y94 VanDerWaalsContact SG-CD1 3.5Å; C38-Y94 VanDerWaalsContact SG-CE1 3.55Å; C38-C98 HydrophobicContact CB-CB 4.15Å; C38-C98 WeakPolarHBondContact CB-SG 3.24Å; C38-C98 WeakPolarHBondContact SG-CB 3.47Å; C38-C98 CovalentContact SG-SG 2.02Å; C38-C98 PolarHBondContact SG-SG 3.23Å
39	N	73.4	Confident	71.8	Confident	69 Å²	69	91.8 Å²	91.8	37%	0.369	42%	0.423	S	S	.	.	H	α-helix	trans	-65.5	-34.8	179	-177.6	73.9	0	0	0	112.6	F35 A36 E37 F43 K91	F35-N39 WeakPolarHBondContact O-CB 3.19Å; F35-N39 PolarHBondContact O-N 2.9Å; A36-N39 WeakPolarHBondContact O-CB 2.84Å; A36-N39 PolarHBondContact O-N 2.97Å; E37-N39 VanDerWaalsContact C-N 3.31Å; E37-N39 PolarHBondContact O-N 3.3Å; N39-F43 WeakPolarHBondContact O-CB 3.3Å; N39-F43 PolarHBondContact O-N 3.49Å; N39-K91 WeakPolarHBondContact OD1-CE 3.49Å; N39-K91 PolarHBondContact OD1-NZ 3.43Å
40	D	73.9	Confident	72.9	Confident	103 Å²	103	87.2 Å²	87.2	55%	0.551	40%	0.404	S	S	*	.	H	α-helix	trans	-78.4	-44.5	179	-158.7	45.8	0	0	0	112.1	A36 E37 C38 S42 F43 W44	A36-D40 PolarHBondContact O-N 2.88Å; E37-D40 PolarHBondContact O-N 2.7Å; C38-D40 VanDerWaalsContact C-N 3.32Å; C38-D40 PolarHBondContact O-N 2.95Å; D40-S42 VanDerWaalsContact C-N 3.33Å; D40-S42 PolarHBondContact O-N 3.32Å; D40-F43 WeakPolarHBondContact O-CB 3.44Å; D40-F43 PolarHBondContact O-N 3.05Å; D40-F43 VanDerWaalsContact O-N 3.1Å; D40-W44 PolarHBondContact O-N 3.09Å
41	E	74.3	Confident	74.2	Confident	64 Å²	64	82.6 Å²	82.6	30%	0.299	39%	0.385	S	S	.	.	H	α-helix	trans	-59.4	-43.5	172.3	-73.9	-175.5	149.7	0	0	111.3	E37 F43 F45 Y94 K101	E37-E41 WeakPolarHBondContact O-CB 3.32Å; E37-E41 WeakPolarHBondContact O-CG 3.29Å; E37-E41 PolarHBondContact O-N 3.08Å; E41-F43 PolarHBondContact O-N 2.89Å; E41-F45 PolarHBondContact O-N 3.35Å; E41-Y94 HydrophobicContact CB-CE1 4.39Å; E41-Y94 PolarHBondContact OE2-OH 3.09Å; E41-K101 IonicContact OE1-NZ 3.43Å; E41-K101 PolarHBondContact OE1-NZ 2.75Å; E41-K101 IonicContact OE2-NZ 3Å; E41-K101 PolarHBondContact OE2-NZ 3.4Å
42	S	68.4	Low	75.5	Confident	3 Å²	3	84.7 Å²	84.7	2%	0.021	40%	0.404	C	S	.	.	H	α-helix	trans	-57.8	-39.4	175.8	-60.4	0	0	0	0	112	C38 D40 S47 Y94	C38-S42 VanDerWaalsContact O-CB 3.23Å; C38-S42 WeakPolarHBondContact O-CB 3.34Å; C38-S42 PolarHBondContact O-N 3.12Å; C38-S42 PolarHBondContact O-OG 3.34Å; D40-S42 VanDerWaalsContact C-N 3.33Å; D40-S42 PolarHBondContact O-N 3.32Å; S42-S47 WeakPolarHBondContact O-CB 3.46Å; S42-S47 PolarHBondContact O-N 3.41Å; S42-S47 PolarHBondContact O-OG 3.08Å; S42-Y94 WeakPolarHBondContact OG-CB 3.37Å; S42-Y94 WeakPolarHBondContact OG-CD1 3.29Å; S42-Y94 VanDerWaalsContact OG-CG 3.22Å
43	F	72.8	Confident	76.7	Confident	81 Å²	81	78.8 Å²	78.8	36%	0.355	39%	0.39	S	S	.	.	I	π-helix	trans	-63.3	-60.8	-172.7	-176.6	-105.6	0	0	0	108.6	N39 D40 E41 S47 V48 Y87	N39-F43 WeakPolarHBondContact O-CB 3.3Å; N39-F43 PolarHBondContact O-N 3.49Å; D40-F43 WeakPolarHBondContact O-CB 3.44Å; D40-F43 PolarHBondContact O-N 3.05Å; D40-F43 VanDerWaalsContact O-N 3.1Å; E41-F43 PolarHBondContact O-N 2.89Å; F43-S47 VanDerWaalsContact CA-OG 3.27Å; F43-S47 WeakPolarHBondContact CA-OG 3.47Å; F43-S47 PolarHBondContact O-N 2.87Å; F43-S47 PolarHBondContact O-OG 2.77Å; F43-V48 HydrophobicContact CE1-CG2 4.43Å; F43-V48 WeakPolarHBondContact O-CG2 3.24Å; F43-V48 PolarHBondContact O-N 3.36Å; F43-V48 VanDerWaalsContact O-N 3.09Å; F43-Y87 AromaticContact CD2-CE2 3.85Å; F43-Y87 HydrophobicContact CD2-CE2 3.85Å; F43-Y87 AromaticContact CE2-CE2 3.96Å; F43-Y87 HydrophobicContact CE2-CE2 3.96Å
44	W	74.6	Confident	77.5	Confident	171 Å²	171	71.6 Å²	71.6	65%	0.648	37%	0.366	S	S	*	.	I	π-helix	trans	-73.2	-44.5	-171.7	-88.6	101.5	0	0	0	114.5	D40	D40-W44 PolarHBondContact O-N 3.09Å
45	F	76.3	Confident	78.5	Confident	180 Å²	180	74.1 Å²	74.1	79%	0.789	38%	0.377	S	S	*	.	I	π-helix	trans	-88	-15.3	-169.4	-77.6	-79.3	0	0	0	114.8	E41 P49	E41-F45 PolarHBondContact O-N 3.35Å; F45-P49 WeakPolarHBondContact O-CG 3.17Å
46	R	74.9	Confident	79.5	Confident	128 Å²	128	74.2 Å²	74.2	48%	0.483	38%	0.382	S	S	.	.	I	π-helix	trans	-138.4	-42.6	-171.6	-153.7	157.8	179.3	121.7	-4.5	114.5	P49 L50	R46-P49 WeakPolarHBondContact O-CD 3.36Å; R46-P49 WeakPolarHBondContact O-CG 3.49Å; R46-L50 HydrophobicContact CG-CD1 4.19Å; R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 WeakPolarHBondContact O-CD1 3.39Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 3.24Å
47	S	77.6	Confident	80.4	Confident	1 Å²	1	76.2 Å²	76.2	1%	0.007	38%	0.384	C	S	.	.	I	π-helix	trans	-72.8	-38.9	178.6	81.5	0	0	0	0	112.3	S42 F43 L50 A51	S42-S47 WeakPolarHBondContact O-CB 3.46Å; S42-S47 PolarHBondContact O-N 3.41Å; S42-S47 PolarHBondContact O-OG 3.08Å; F43-S47 VanDerWaalsContact CA-OG 3.27Å; F43-S47 WeakPolarHBondContact CA-OG 3.47Å; F43-S47 PolarHBondContact O-N 2.87Å; F43-S47 PolarHBondContact O-OG 2.77Å; S47-L50 PolarHBondContact O-N 3.24Å; S47-A51 WeakPolarHBondContact O-CB 3.26Å; S47-A51 PolarHBondContact O-N 3.44Å
48	V	82	Confident	80.9	Confident	60 Å²	60	71 Å²	71	36%	0.364	36%	0.361	S	S	.	.	H	α-helix	trans	-60.6	-52.4	174.5	174.2	0	0	0	0	112.3	F43 L50 A51 A52	F43-V48 HydrophobicContact CE1-CG2 4.43Å; F43-V48 WeakPolarHBondContact O-CG2 3.24Å; F43-V48 PolarHBondContact O-N 3.36Å; F43-V48 VanDerWaalsContact O-N 3.09Å; V48-L50 PolarHBondContact O-N 3.24Å; V48-A51 PolarHBondContact O-N 2.99Å; V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 3.11Å
49	P	86	Confident	81.3	Confident	60 Å²	60	74.1 Å²	74.1	39%	0.39	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-34.9	179.3	21.7	-31.9	0	0	0	113.2	F45 R46 T53	F45-P49 WeakPolarHBondContact O-CG 3.17Å; R46-P49 WeakPolarHBondContact O-CD 3.36Å; R46-P49 WeakPolarHBondContact O-CG 3.49Å; P49-T53 WeakPolarHBondContact O-CB 3.26Å; P49-T53 PolarHBondContact O-N 2.95Å; P49-T53 PolarHBondContact O-OG1 2.87Å
50	L	83.4	Confident	81.9	Confident	70 Å²	70	72.4 Å²	72.4	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-69.5	-40.4	175.1	-73.4	172.8	0	0	0	112.3	R46 S47 V48 T53 S54	R46-L50 HydrophobicContact CG-CD1 4.19Å; R46-L50 WeakPolarHBondContact O-CB 3.47Å; R46-L50 WeakPolarHBondContact O-CD1 3.39Å; R46-L50 VanDerWaalsContact O-CG 3.25Å; R46-L50 WeakPolarHBondContact O-CG 3.46Å; R46-L50 PolarHBondContact O-N 3.24Å; S47-L50 PolarHBondContact O-N 3.24Å; V48-L50 PolarHBondContact O-N 3.24Å; L50-T53 PolarHBondContact O-N 3.02Å; L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 2.86Å; L50-S54 PolarHBondContact O-OG 3.38Å
51	A	85.4	Confident	82.5	Confident	20 Å²	20	70.7 Å²	70.7	17%	0.165	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-45.6	173.3	0	0	0	0	0	110.8	S47 V48 T53 S54 M55	S47-A51 WeakPolarHBondContact O-CB 3.26Å; S47-A51 PolarHBondContact O-N 3.44Å; V48-A51 PolarHBondContact O-N 2.99Å; A51-T53 VanDerWaalsContact C-N 3.35Å; A51-T53 PolarHBondContact O-N 2.99Å; A51-S54 WeakPolarHBondContact CA-OG 3.43Å; A51-S54 PolarHBondContact O-N 3.24Å; A51-S54 PolarHBondContact O-OG 2.79Å; A51-M55 WeakPolarHBondContact O-CB 3.23Å; A51-M55 PolarHBondContact O-N 2.93Å
52	A	88.8	Confident	82.9	Confident	50 Å²	50	69 Å²	69	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-42.8	175.6	0	0	0	0	0	112.1	V48 M55 L56	V48-A52 WeakPolarHBondContact O-CB 3.34Å; V48-A52 PolarHBondContact O-N 3.11Å; A52-M55 WeakPolarHBondContact O-CB 3.18Å; A52-M55 PolarHBondContact O-N 3.38Å; A52-L56 PolarHBondContact O-N 2.91Å
53	T	89.4	Confident	83.4	Confident	72 Å²	72	73.7 Å²	73.7	44%	0.442	39%	0.389	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176.2	-56.3	0	0	0	0	111.2	P49 L50 A51 M55 L56 I57	P49-T53 WeakPolarHBondContact O-CB 3.26Å; P49-T53 PolarHBondContact O-N 2.95Å; P49-T53 PolarHBondContact O-OG1 2.87Å; L50-T53 PolarHBondContact O-N 3.02Å; A51-T53 VanDerWaalsContact C-N 3.35Å; A51-T53 PolarHBondContact O-N 2.99Å; T53-M55 VanDerWaalsContact C-N 3.25Å; T53-M55 PolarHBondContact O-N 3.36Å; T53-L56 WeakPolarHBondContact O-CB 3.46Å; T53-L56 PolarHBondContact O-N 2.6Å; T53-I57 HydrophobicContact CG2-CD1 3.96Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.4Å; T53-I57 PolarHBondContact O-N 2.98Å
54	S	86.9	Confident	83.8	Confident	22 Å²	22	77.9 Å²	77.9	15%	0.154	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-35.9	177	74.4	0	0	0	0	112.1	L50 A51 T58 A82	L50-S54 WeakPolarHBondContact O-CB 3.45Å; L50-S54 PolarHBondContact O-N 2.86Å; L50-S54 PolarHBondContact O-OG 3.38Å; A51-S54 WeakPolarHBondContact CA-OG 3.43Å; A51-S54 PolarHBondContact O-N 3.24Å; A51-S54 PolarHBondContact O-OG 2.79Å; S54-T58 WeakPolarHBondContact O-CB 3.25Å; S54-T58 PolarHBondContact O-N 3.27Å; S54-T58 PolarHBondContact O-OG1 3.14Å; S54-A82 PolarHBondContact OG-O 3.39Å
55	M	87.1	Confident	83.8	Confident	80 Å²	80	72.7 Å²	72.7	39%	0.394	41%	0.407	S	S	.	.	H	α-helix	trans	-68.1	-45.8	175.7	-168.3	-178.2	-133.5	0	0	111	A51 A52 T53 I57 T58 Q59 L79	A51-M55 WeakPolarHBondContact O-CB 3.23Å; A51-M55 PolarHBondContact O-N 2.93Å; A52-M55 WeakPolarHBondContact O-CB 3.18Å; A52-M55 PolarHBondContact O-N 3.38Å; T53-M55 VanDerWaalsContact C-N 3.25Å; T53-M55 PolarHBondContact O-N 3.36Å; M55-I57 PolarHBondContact O-N 2.85Å; M55-T58 PolarHBondContact O-N 3.09Å; M55-Q59 WeakPolarHBondContact O-CB 3.45Å; M55-Q59 VanDerWaalsContact O-CG 3.25Å; M55-Q59 WeakPolarHBondContact O-CG 3.45Å; M55-Q59 PolarHBondContact O-N 3.03Å; M55-L79 HydrophobicContact CG-CD2 4.21Å
56	L	90.4	Very high	83.7	Confident	131 Å²	131	69.5 Å²	69.5	69%	0.686	40%	0.397	S	S	*	.	H	α-helix	trans	-58.3	-46.1	175.3	-100.3	163.3	0	0	0	112.1	A52 T53 T58 Q59 G60	A52-L56 PolarHBondContact O-N 2.91Å; T53-L56 WeakPolarHBondContact O-CB 3.46Å; T53-L56 PolarHBondContact O-N 2.6Å; L56-T58 VanDerWaalsContact C-N 3.35Å; L56-T58 PolarHBondContact O-N 3.19Å; L56-Q59 PolarHBondContact O-N 3.13Å; L56-G60 PolarHBondContact O-N 3.09Å
57	I	89.5	Confident	83.2	Confident	98 Å²	98	65.9 Å²	65.9	50%	0.503	39%	0.387	S	S	.	.	H	α-helix	trans	-58.7	-50.4	175.5	-69.4	166.5	0	0	0	109.4	T53 M55 Q59 G60 L61	T53-I57 HydrophobicContact CG2-CD1 3.96Å; T53-I57 VanDerWaalsContact O-CG1 3.29Å; T53-I57 WeakPolarHBondContact O-CG1 3.4Å; T53-I57 PolarHBondContact O-N 2.98Å; M55-I57 PolarHBondContact O-N 2.85Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 3.3Å; I57-G60 PolarHBondContact O-N 3.33Å; I57-G60 VanDerWaalsContact O-N 3.1Å; I57-L61 HydrophobicContact CG2-CD1 3.61Å; I57-L61 WeakPolarHBondContact O-CD1 3.48Å; I57-L61 PolarHBondContact O-N 3.46Å
58	T	87.1	Confident	82.4	Confident	17 Å²	17	70.9 Å²	70.9	10%	0.104	42%	0.421	C	S	.	.	H	α-helix	trans	-61.5	-43	-178.5	-54.3	0	0	0	0	111.5	S54 M55 L56 G60 L61 I62 L67 K78 L79 A82	S54-T58 WeakPolarHBondContact O-CB 3.25Å; S54-T58 PolarHBondContact O-N 3.27Å; S54-T58 PolarHBondContact O-OG1 3.14Å; M55-T58 PolarHBondContact O-N 3.09Å; L56-T58 VanDerWaalsContact C-N 3.35Å; L56-T58 PolarHBondContact O-N 3.19Å; T58-G60 PolarHBondContact O-N 3.19Å; T58-L61 PolarHBondContact O-N 3.04Å; T58-I62 HydrophobicContact CG2-CD1 3.82Å; T58-I62 HydrophobicContact CG2-CG1 4.48Å; T58-I62 VanDerWaalsContact O-CD1 3.24Å; T58-I62 WeakPolarHBondContact O-CD1 3.13Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 2.92Å; T58-L67 HydrophobicContact CG2-CD2 4.49Å; T58-K78 HydrophobicContact CG2-CB 4.36Å; T58-L79 HydrophobicContact CG2-CD2 3.77Å; T58-A82 HydrophobicContact CG2-CB 4.25Å; T58-A82 WeakPolarHBondContact OG1-CB 3.27Å
59	Q	85.3	Confident	81.5	Confident	77 Å²	77	70.6 Å²	70.6	36%	0.36	42%	0.422	S	S	.	.	H	α-helix	trans	-58.8	-44.5	173.4	-71.7	-71.1	-0.6	0	0	111.6	M55 L56 I57 L61 I62 S63 L79	M55-Q59 WeakPolarHBondContact O-CB 3.45Å; M55-Q59 VanDerWaalsContact O-CG 3.25Å; M55-Q59 WeakPolarHBondContact O-CG 3.45Å; M55-Q59 PolarHBondContact O-N 3.03Å; L56-Q59 PolarHBondContact O-N 3.13Å; I57-Q59 VanDerWaalsContact C-N 3.34Å; I57-Q59 PolarHBondContact O-N 3.3Å; Q59-L61 PolarHBondContact O-N 3.39Å; Q59-I62 PolarHBondContact O-N 3.01Å; Q59-S63 WeakPolarHBondContact O-CB 3.37Å; Q59-S63 PolarHBondContact O-N 2.91Å; Q59-S63 PolarHBondContact O-OG 3.48Å; Q59-S63 VanDerWaalsContact O-OG 3.04Å; Q59-L79 HydrophobicContact CG-CD2 3.98Å; Q59-L79 VanDerWaalsContact NE2-CD1 3.34Å
60	G	87	Confident	80.7	Confident	33 Å²	33	72.3 Å²	72.3	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-60.5	-41.5	175.2	0	0	0	0	0	113.3	L56 I57 T58 S63 K64	L56-G60 PolarHBondContact O-N 3.09Å; I57-G60 PolarHBondContact O-N 3.33Å; I57-G60 VanDerWaalsContact O-N 3.1Å; T58-G60 PolarHBondContact O-N 3.19Å; G60-S63 PolarHBondContact O-N 3.45Å; G60-K64 WeakPolarHBondContact O-CG 3.01Å; G60-K64 PolarHBondContact O-N 3.3Å; G60-K64 VanDerWaalsContact O-N 3.09Å
61	L	85.4	Confident	79.9	Confident	66 Å²	66	75.1 Å²	75.1	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-68.5	-34.5	176.9	-86.3	80.6	0	0	0	112.7	I57 T58 Q59 I66 L67	I57-L61 HydrophobicContact CG2-CD1 3.61Å; I57-L61 WeakPolarHBondContact O-CD1 3.48Å; I57-L61 PolarHBondContact O-N 3.46Å; T58-L61 PolarHBondContact O-N 3.04Å; Q59-L61 PolarHBondContact O-N 3.39Å; L61-I66 PolarHBondContact O-N 3.27Å; L61-L67 HydrophobicContact CB-CD1 4.49Å; L61-L67 HydrophobicContact CB-CD2 4.43Å; L61-L67 HydrophobicContact CD2-CD1 4.13Å
62	I	82.4	Confident	79.4	Confident	29 Å²	29	82.5 Å²	82.5	15%	0.149	48%	0.476	C	S	.	.	H	α-helix	trans	-68.9	-47.1	175	-66	154.7	0	0	0	110.1	T58 Q59 K64 G65 L67 L79	T58-I62 HydrophobicContact CG2-CD1 3.82Å; T58-I62 HydrophobicContact CG2-CG1 4.48Å; T58-I62 VanDerWaalsContact O-CD1 3.24Å; T58-I62 WeakPolarHBondContact O-CD1 3.13Å; T58-I62 WeakPolarHBondContact O-CG1 3.33Å; T58-I62 PolarHBondContact O-N 2.92Å; Q59-I62 PolarHBondContact O-N 3.01Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.29Å; I62-G65 PolarHBondContact O-N 2.88Å; I62-L67 HydrophobicContact CG1-CB 4.35Å; I62-L79 HydrophobicContact CD1-CD2 3.94Å; I62-L79 HydrophobicContact CD1-CG 4.22Å
63	S	78.9	Confident	78.7	Confident	102 Å²	102	87.2 Å²	87.2	71%	0.713	48%	0.484	S	S	*	.	H	α-helix	trans	-62.9	-30.2	179.5	-63.1	0	0	0	0	113	Q59 G60 G65	Q59-S63 WeakPolarHBondContact O-CB 3.37Å; Q59-S63 PolarHBondContact O-N 2.91Å; Q59-S63 PolarHBondContact O-OG 3.48Å; Q59-S63 VanDerWaalsContact O-OG 3.04Å; G60-S63 PolarHBondContact O-N 3.45Å; S63-G65 VanDerWaalsContact C-N 3.26Å; S63-G65 PolarHBondContact O-N 2.91Å
64	K	82.2	Confident	78.4	Confident	168 Å²	168	85.2 Å²	85.2	73%	0.73	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-0.1	174	-69.7	179.1	87.5	88.8	0	113.8	G60 I62 I66	G60-K64 WeakPolarHBondContact O-CG 3.01Å; G60-K64 PolarHBondContact O-N 3.3Å; G60-K64 VanDerWaalsContact O-N 3.09Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.29Å; K64-I66 HydrophobicContact CB-CD1 3.87Å; K64-I66 HydrophobicContact CB-CG1 3.83Å; K64-I66 HydrophobicContact CD-CD1 4.33Å; K64-I66 PolarHBondContact O-N 2.93Å
65	G	74	Confident	78.1	Confident	62 Å²	62	85.5 Å²	85.5	64%	0.639	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	10.4	177.4	0	0	0	0	0	115.1	I62 S63	I62-G65 PolarHBondContact O-N 2.88Å; S63-G65 VanDerWaalsContact C-N 3.26Å; S63-G65 PolarHBondContact O-N 2.91Å
66	I	74.6	Confident	78	Confident	113 Å²	113	86.8 Å²	86.8	58%	0.579	49%	0.487	S	S	*	.			trans	-77.2	-28.4	-177	-45.1	174.3	0	0	0	110.4	L61 K64	L61-I66 PolarHBondContact O-N 3.27Å; K64-I66 HydrophobicContact CB-CD1 3.87Å; K64-I66 HydrophobicContact CB-CG1 3.83Å; K64-I66 HydrophobicContact CD-CD1 4.33Å; K64-I66 PolarHBondContact O-N 2.93Å
67	L	63.4	Low	77.8	Confident	52 Å²	52	83.4 Å²	83.4	27%	0.272	47%	0.472	S	S	.	.	S	Bend	trans	-102.8	103.1	178	-107.5	58.1	0	0	0	110.6	T58 L61 I62 S69 K78	T58-L67 HydrophobicContact CG2-CD2 4.49Å; L61-L67 HydrophobicContact CB-CD1 4.49Å; L61-L67 HydrophobicContact CB-CD2 4.43Å; L61-L67 HydrophobicContact CD2-CD1 4.13Å; I62-L67 HydrophobicContact CG1-CB 4.35Å; L67-S69 PolarHBondContact O-N 3.47Å; L67-K78 HydrophobicContact CB-CD 4.11Å; L67-K78 HydrophobicContact CD2-CD 3.43Å; L67-K78 VanDerWaalsContact CD2-CD 3.43Å; L67-K78 HydrophobicContact CG-CD 3.72Å
68	S	61.8	Low	77.6	Confident	106 Å²	106	81.4 Å²	81.4	74%	0.741	46%	0.46	S	S	*	.			trans	-54.9	106.8	176.5	178.2	0	0	0	0	111.6	K78	S68-K78 PolarHBondContact O-NZ 3.24Å
69	S	63.1	Low	77.6	Confident	55 Å²	55	81.6 Å²	81.6	39%	0.385	46%	0.46	S	S	.	.			trans	-59.9	134.7	176.4	-105.5	0	0	0	0	110.4	L67 G74 S75	L67-S69 PolarHBondContact O-N 3.47Å; S69-G74 PolarHBondContact OG-O 3.27Å; S69-S75 PolarHBondContact OG-N 2.83Å
70	H	68.9	Low	77.9	Confident	95 Å²	95	82.4 Å²	82.4	44%	0.44	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-66.5	132.4	-179.2	-165.7	-88.3	0	0	0	108.9	K72 Y73 G74	H70-K72 PolarHBondContact O-N 3.46Å; H70-Y73 AromaticContact ND1-CD2 3.56Å; H70-Y73 PolarHBondContact O-N 3.31Å; H70-Y73 VanDerWaalsContact O-N 3.09Å; H70-G74 PolarHBondContact N-O 2.97Å; H70-G74 PolarHBondContact O-N 3.27Å
71	P	65.7	Low	77.9	Confident	129 Å²	129	86.8 Å²	86.8	84%	0.838	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-20	-169.9	21.4	-33.5	0	0	0	114.4
72	K	76.3	Confident	78.1	Confident	175 Å²	175	84.2 Å²	84.2	76%	0.761	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-24.7	175.1	-82.3	-169.6	173.7	-173.9	0	115.5	H70	H70-K72 PolarHBondContact O-N 3.46Å
73	Y	73.1	Confident	78.3	Confident	150 Å²	150	84.6 Å²	84.6	59%	0.588	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	3.2	-167.2	-60	-64.8	0	0	0	113.6	H70 S75 I76 P77	H70-Y73 AromaticContact ND1-CD2 3.56Å; H70-Y73 PolarHBondContact O-N 3.31Å; H70-Y73 VanDerWaalsContact O-N 3.09Å; Y73-S75 PolarHBondContact O-N 3.09Å; Y73-I76 PolarHBondContact O-N 3.48Å; Y73-P77 WeakPolarHBondContact O-CD 3.38Å
74	G	82.8	Confident	78.8	Confident	29 Å²	29	83.5 Å²	83.5	30%	0.299	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	56.9	-130.8	-179.2	0	0	0	0	0	112.2	S69 H70	S69-G74 PolarHBondContact OG-O 3.27Å; H70-G74 PolarHBondContact N-O 2.97Å; H70-G74 PolarHBondContact O-N 3.27Å
75	S	82.1	Confident	79.1	Confident	28 Å²	28	80.1 Å²	80.1	20%	0.196	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-9	-179.7	51.9	0	0	0	0	114.6	S69 Y73 K78 L79	S69-S75 PolarHBondContact OG-N 2.83Å; Y73-S75 PolarHBondContact O-N 3.09Å; S75-K78 WeakPolarHBondContact O-CB 3.37Å; S75-K78 PolarHBondContact O-N 2.86Å; S75-L79 PolarHBondContact O-N 3.24Å; S75-L79 VanDerWaalsContact O-N 3.13Å
76	I	83.8	Confident	79.6	Confident	107 Å²	107	77.6 Å²	77.6	55%	0.549	42%	0.416	S	S	.	.	H	α-helix	trans	-52	-51.6	-173.4	-60.7	172.5	0	0	0	113.2	Y73 K78 L79 I80	Y73-I76 PolarHBondContact O-N 3.48Å; I76-K78 PolarHBondContact O-N 3.48Å; I76-L79 PolarHBondContact O-N 2.96Å; I76-L79 VanDerWaalsContact O-N 3.14Å; I76-I80 HydrophobicContact CG2-CD1 3.83Å; I76-I80 HydrophobicContact CG2-CG1 4.43Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.42Å
77	P	86.6	Confident	80.1	Confident	60 Å²	60	76 Å²	76	39%	0.39	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-28	-178.8	21.2	-31.8	0	0	0	113.1	Y73 F81	Y73-P77 WeakPolarHBondContact O-CD 3.38Å; P77-F81 WeakPolarHBondContact O-CB 3.43Å; P77-F81 PolarHBondContact O-N 3.27Å; P77-F81 VanDerWaalsContact O-N 3.09Å
78	K	85.8	Confident	81.2	Confident	57 Å²	57	79 Å²	79	25%	0.248	42%	0.415	C	S	.	.	H	α-helix	trans	-75.1	-37.3	177.1	-58.2	-163.2	-174.2	74.8	0	112	T58 L67 S68 S75 I76 F81 A82	T58-K78 HydrophobicContact CG2-CB 4.36Å; L67-K78 HydrophobicContact CB-CD 4.11Å; L67-K78 HydrophobicContact CD2-CD 3.43Å; L67-K78 VanDerWaalsContact CD2-CD 3.43Å; L67-K78 HydrophobicContact CG-CD 3.72Å; S68-K78 PolarHBondContact O-NZ 3.24Å; S75-K78 WeakPolarHBondContact O-CB 3.37Å; S75-K78 PolarHBondContact O-N 2.86Å; I76-K78 PolarHBondContact O-N 3.48Å; K78-F81 PolarHBondContact O-N 3.36Å; K78-A82 WeakPolarHBondContact O-CB 3.14Å; K78-A82 PolarHBondContact O-N 3.31Å
79	L	87.6	Confident	82.2	Confident	20 Å²	20	76.6 Å²	76.6	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-45.8	175.2	-65.7	171.4	0	0	0	110.9	M55 T58 Q59 I62 S75 I76 F81 A82 C83	M55-L79 HydrophobicContact CG-CD2 4.21Å; T58-L79 HydrophobicContact CG2-CD2 3.77Å; Q59-L79 HydrophobicContact CG-CD2 3.98Å; Q59-L79 VanDerWaalsContact NE2-CD1 3.34Å; I62-L79 HydrophobicContact CD1-CD2 3.94Å; I62-L79 HydrophobicContact CD1-CG 4.22Å; S75-L79 PolarHBondContact O-N 3.24Å; S75-L79 VanDerWaalsContact O-N 3.13Å; I76-L79 PolarHBondContact O-N 2.96Å; I76-L79 VanDerWaalsContact O-N 3.14Å; L79-F81 VanDerWaalsContact C-N 3.34Å; L79-F81 PolarHBondContact O-N 2.7Å; L79-A82 PolarHBondContact O-N 3.35Å; L79-C83 WeakPolarHBondContact O-CB 3.35Å; L79-C83 PolarHBondContact O-N 3.45Å; L79-C83 PolarHBondContact O-SG 3.2Å
80	I	89.8	Confident	83.1	Confident	94 Å²	94	74 Å²	74	48%	0.482	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-47.2	176.7	-65.9	170.9	0	0	0	110.3	I76 A82 C83 I84	I76-I80 HydrophobicContact CG2-CD1 3.83Å; I76-I80 HydrophobicContact CG2-CG1 4.43Å; I76-I80 WeakPolarHBondContact O-CG1 3.49Å; I76-I80 PolarHBondContact O-N 3.42Å; I80-A82 PolarHBondContact O-N 2.89Å; I80-C83 PolarHBondContact O-N 2.8Å; I80-I84 HydrophobicContact CG2-CD1 3.71Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.26Å; I80-I84 WeakPolarHBondContact O-CG1 3.19Å; I80-I84 PolarHBondContact O-N 3.5Å
81	F	88.6	Confident	83.6	Confident	125 Å²	125	71 Å²	71	55%	0.548	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-44.1	177.6	-177.2	-97.2	0	0	0	112.5	P77 K78 L79 I84 M85	P77-F81 WeakPolarHBondContact O-CB 3.43Å; P77-F81 PolarHBondContact O-N 3.27Å; P77-F81 VanDerWaalsContact O-N 3.09Å; K78-F81 PolarHBondContact O-N 3.36Å; L79-F81 VanDerWaalsContact C-N 3.34Å; L79-F81 PolarHBondContact O-N 2.7Å; F81-I84 PolarHBondContact O-N 3.48Å; F81-M85 HydrophobicContact CD1-CG 4.17Å; F81-M85 HydrophobicContact CD2-CE 4.33Å; F81-M85 HydrophobicContact CE1-CE 4.33Å; F81-M85 HydrophobicContact CE1-CG 3.78Å; F81-M85 HydrophobicContact CE2-CE 3.42Å; F81-M85 VanDerWaalsContact CE2-CE 3.42Å; F81-M85 HydrophobicContact CE2-CG 4.25Å; F81-M85 HydrophobicContact CZ-CE 3.43Å; F81-M85 VanDerWaalsContact CZ-CE 3.43Å; F81-M85 HydrophobicContact CZ-CG 3.84Å; F81-M85 HydrophobicContact CZ-SD 4.38Å; F81-M85 WeakPolarHBondContact O-CB 3.36Å; F81-M85 WeakPolarHBondContact O-CG 3.5Å; F81-M85 PolarHBondContact O-N 3.4Å
82	A	89.1	Confident	84.2	Confident	13 Å²	13	70.5 Å²	70.5	11%	0.107	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-43.4	176.5	0	0	0	0	0	112	S54 T58 K78 L79 I80 M85 G86	S54-A82 PolarHBondContact OG-O 3.39Å; T58-A82 HydrophobicContact CG2-CB 4.25Å; T58-A82 WeakPolarHBondContact OG1-CB 3.27Å; K78-A82 WeakPolarHBondContact O-CB 3.14Å; K78-A82 PolarHBondContact O-N 3.31Å; L79-A82 PolarHBondContact O-N 3.35Å; I80-A82 PolarHBondContact O-N 2.89Å; A82-M85 PolarHBondContact O-N 2.83Å; A82-G86 PolarHBondContact O-N 3.39Å
83	C	86.7	Confident	84.3	Confident	37 Å²	37	64.6 Å²	64.6	25%	0.25	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-43.3	175.7	-70.8	0	0	0	0	112	L79 I80 G86 Y87	L79-C83 WeakPolarHBondContact O-CB 3.35Å; L79-C83 PolarHBondContact O-N 3.45Å; L79-C83 PolarHBondContact O-SG 3.2Å; I80-C83 PolarHBondContact O-N 2.8Å; C83-G86 PolarHBondContact O-N 2.92Å; C83-Y87 VanDerWaalsContact O-CB 3.23Å; C83-Y87 WeakPolarHBondContact O-CB 3.36Å; C83-Y87 PolarHBondContact O-N 2.88Å
84	I	88.6	Confident	84.3	Confident	79 Å²	79	59 Å²	59	41%	0.405	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-47.9	176.6	-69.7	168.9	0	0	0	110.2	I80 F81 Y87 F88	I80-I84 HydrophobicContact CG2-CD1 3.71Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.26Å; I80-I84 WeakPolarHBondContact O-CG1 3.19Å; I80-I84 PolarHBondContact O-N 3.5Å; F81-I84 PolarHBondContact O-N 3.48Å; I84-Y87 WeakPolarHBondContact O-CB 3.33Å; I84-Y87 PolarHBondContact O-N 3.44Å; I84-F88 HydrophobicContact CG2-CD2 3.63Å; I84-F88 HydrophobicContact CG2-CE2 3.54Å; I84-F88 WeakPolarHBondContact O-CD2 3.33Å; I84-F88 PolarHBondContact O-N 2.7Å
85	M	88.1	Confident	83.8	Confident	97 Å²	97	60.5 Å²	60.5	48%	0.478	32%	0.32	S	S	.	.	H	α-helix	trans	-65.8	-40.7	179.3	-70.8	-61.4	168.3	0	0	112.4	F81 A82 Y87 F88 A89	F81-M85 HydrophobicContact CD1-CG 4.17Å; F81-M85 HydrophobicContact CD2-CE 4.33Å; F81-M85 HydrophobicContact CE1-CE 4.33Å; F81-M85 HydrophobicContact CE1-CG 3.78Å; F81-M85 HydrophobicContact CE2-CE 3.42Å; F81-M85 VanDerWaalsContact CE2-CE 3.42Å; F81-M85 HydrophobicContact CE2-CG 4.25Å; F81-M85 HydrophobicContact CZ-CE 3.43Å; F81-M85 VanDerWaalsContact CZ-CE 3.43Å; F81-M85 HydrophobicContact CZ-CG 3.84Å; F81-M85 HydrophobicContact CZ-SD 4.38Å; F81-M85 WeakPolarHBondContact O-CB 3.36Å; F81-M85 WeakPolarHBondContact O-CG 3.5Å; F81-M85 PolarHBondContact O-N 3.4Å; A82-M85 PolarHBondContact O-N 2.83Å; M85-Y87 VanDerWaalsContact C-N 3.32Å; M85-Y87 PolarHBondContact O-N 3.26Å; M85-F88 PolarHBondContact O-N 2.97Å; M85-A89 WeakPolarHBondContact O-CB 3.15Å; M85-A89 PolarHBondContact O-N 3.22Å
86	G	85.7	Confident	83.3	Confident	8 Å²	8	66 Å²	66	8%	0.082	34%	0.341	C	S	.	.	H	α-helix	trans	-62.5	-38.7	173.7	0	0	0	0	0	112.5	A82 C83 G90	A82-G86 PolarHBondContact O-N 3.39Å; C83-G86 PolarHBondContact O-N 2.92Å; G86-G90 PolarHBondContact O-N 3.04Å
87	Y	85	Confident	83	Confident	81 Å²	81	63.9 Å²	63.9	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-48.9	175	174.9	-99.3	0	0	0	112.3	F43 C83 I84 M85 A89 G90 K91	F43-Y87 AromaticContact CD2-CE2 3.85Å; F43-Y87 HydrophobicContact CD2-CE2 3.85Å; F43-Y87 AromaticContact CE2-CE2 3.96Å; F43-Y87 HydrophobicContact CE2-CE2 3.96Å; C83-Y87 VanDerWaalsContact O-CB 3.23Å; C83-Y87 WeakPolarHBondContact O-CB 3.36Å; C83-Y87 PolarHBondContact O-N 2.88Å; I84-Y87 WeakPolarHBondContact O-CB 3.33Å; I84-Y87 PolarHBondContact O-N 3.44Å; M85-Y87 VanDerWaalsContact C-N 3.32Å; M85-Y87 PolarHBondContact O-N 3.26Å; Y87-A89 PolarHBondContact O-N 3.25Å; Y87-G90 PolarHBondContact O-N 3Å; Y87-K91 HydrophobicContact CD1-CG 4.46Å; Y87-K91 HydrophobicContact CE1-CG 4.03Å; Y87-K91 HydrophobicContact CE2-CG 4.26Å; Y87-K91 PolarHBondContact O-N 2.82Å; Y87-K91 WeakPolarHBondContact OH-CE 3.34Å; Y87-K91 PolarHBondContact OH-NZ 2.94Å
88	F	85.1	Confident	82.4	Confident	114 Å²	114	61.3 Å²	61.3	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-63.9	-40.7	177.6	-81.8	-70.2	0	0	0	112.1	I84 M85 G90 K91 L92	I84-F88 HydrophobicContact CG2-CD2 3.63Å; I84-F88 HydrophobicContact CG2-CE2 3.54Å; I84-F88 WeakPolarHBondContact O-CD2 3.33Å; I84-F88 PolarHBondContact O-N 2.7Å; M85-F88 PolarHBondContact O-N 2.97Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 2.94Å; F88-K91 PolarHBondContact O-N 2.61Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 VanDerWaalsContact O-CG 3.32Å; F88-L92 WeakPolarHBondContact O-CG 3.32Å; F88-L92 PolarHBondContact O-N 3.43Å
89	A	83.9	Confident	81.6	Confident	56 Å²	56	61.9 Å²	61.9	46%	0.463	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-41.9	174.2	0	0	0	0	0	111.7	M85 Y87 S93	M85-A89 WeakPolarHBondContact O-CB 3.15Å; M85-A89 PolarHBondContact O-N 3.22Å; Y87-A89 PolarHBondContact O-N 3.25Å; A89-S93 VanDerWaalsContact O-CB 3.29Å; A89-S93 WeakPolarHBondContact O-CB 3.49Å; A89-S93 PolarHBondContact O-N 3.1Å
90	G	81.3	Confident	80.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.4	0	0	0	0	0	113.1	G86 Y87 F88 Y94	G86-G90 PolarHBondContact O-N 3.04Å; Y87-G90 PolarHBondContact O-N 3Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 2.94Å; G90-Y94 PolarHBondContact O-N 2.86Å
91	K	81.1	Confident	79.9	Confident	32 Å²	32	67 Å²	67	14%	0.139	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-51.4	176.2	-78.7	-66.6	-174	83.2	0	111.9	N39 Y87 F88 S93 Y94 V95	N39-K91 WeakPolarHBondContact OD1-CE 3.49Å; N39-K91 PolarHBondContact OD1-NZ 3.43Å; Y87-K91 HydrophobicContact CD1-CG 4.46Å; Y87-K91 HydrophobicContact CE1-CG 4.03Å; Y87-K91 HydrophobicContact CE2-CG 4.26Å; Y87-K91 PolarHBondContact O-N 2.82Å; Y87-K91 WeakPolarHBondContact OH-CE 3.34Å; Y87-K91 PolarHBondContact OH-NZ 2.94Å; F88-K91 PolarHBondContact O-N 2.61Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.09Å; K91-Y94 PolarHBondContact O-N 2.69Å; K91-V95 WeakPolarHBondContact O-CG2 3.29Å; K91-V95 PolarHBondContact O-N 3.47Å; K91-V95 VanDerWaalsContact O-N 3.09Å
92	L	77.8	Confident	79	Confident	119 Å²	119	61.5 Å²	61.5	62%	0.623	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-33.9	-178.8	-71	171.9	0	0	0	112.7	F88 Y94	F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 VanDerWaalsContact O-CG 3.32Å; F88-L92 WeakPolarHBondContact O-CG 3.32Å; F88-L92 PolarHBondContact O-N 3.43Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.35Å
93	S	77.7	Confident	77.7	Confident	50 Å²	50	65 Å²	65	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-62.7	-34.9	174.2	180	0	0	0	0	112.2	A89 K91	A89-S93 VanDerWaalsContact O-CB 3.29Å; A89-S93 WeakPolarHBondContact O-CB 3.49Å; A89-S93 PolarHBondContact O-N 3.1Å; K91-S93 VanDerWaalsContact C-N 3.28Å; K91-S93 PolarHBondContact O-N 3.09Å
94	Y	72.7	Confident	76.7	Confident	33 Å²	33	69.3 Å²	69.3	13%	0.129	35%	0.349	C	S	.	.	H	α-helix	trans	-86.9	-26.2	-176.8	-163.4	-100.4	0	0	0	113.4	C38 E41 S42 G90 K91 L92 K96 T97 C98	C38-Y94 HydrophobicContact CB-CE1 4.11Å; C38-Y94 WeakPolarHBondContact O-CE1 3.48Å; C38-Y94 VanDerWaalsContact SG-CD1 3.5Å; C38-Y94 VanDerWaalsContact SG-CE1 3.55Å; E41-Y94 HydrophobicContact CB-CE1 4.39Å; E41-Y94 PolarHBondContact OE2-OH 3.09Å; S42-Y94 WeakPolarHBondContact OG-CB 3.37Å; S42-Y94 WeakPolarHBondContact OG-CD1 3.29Å; S42-Y94 VanDerWaalsContact OG-CG 3.22Å; G90-Y94 PolarHBondContact O-N 2.86Å; K91-Y94 PolarHBondContact O-N 2.69Å; L92-Y94 VanDerWaalsContact C-N 3.28Å; L92-Y94 PolarHBondContact O-N 3.35Å; Y94-K96 PolarHBondContact O-N 2.89Å; Y94-T97 HydrophobicContact CE2-CG2 4.21Å; Y94-T97 PolarHBondContact O-N 3.49Å; Y94-C98 HydrophobicContact CD1-CB 4.21Å; Y94-C98 HydrophobicContact CE1-CB 4.44Å; Y94-C98 VanDerWaalsContact O-CB 3.27Å; Y94-C98 WeakPolarHBondContact O-CB 3.46Å; Y94-C98 PolarHBondContact O-N 3.18Å
95	V	72.6	Confident	75.4	Confident	60 Å²	60	69.4 Å²	69.4	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-52.3	-32.5	174.9	172	0	0	0	0	111.4	K91 C98 Q99	K91-V95 WeakPolarHBondContact O-CG2 3.29Å; K91-V95 PolarHBondContact O-N 3.47Å; K91-V95 VanDerWaalsContact O-N 3.09Å; V95-C98 WeakPolarHBondContact O-CB 3.41Å; V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 WeakPolarHBondContact O-CG 3.04Å; V95-Q99 PolarHBondContact O-N 3.35Å
96	K	72.3	Confident	73.7	Confident	145 Å²	145	72.8 Å²	72.8	63%	0.63	36%	0.364	S	S	*	.	H	α-helix	trans	-69.4	-43	175.7	-62.7	-60.1	-179.8	68.2	0	113.7	Y94 C98 Q99 E100	Y94-K96 PolarHBondContact O-N 2.89Å; K96-C98 VanDerWaalsContact C-N 3.34Å; K96-Q99 PolarHBondContact O-N 3.49Å; K96-E100 PolarHBondContact O-N 2.97Å
97	T	76.4	Confident	72	Confident	62 Å²	62	80 Å²	80	38%	0.38	40%	0.401	S	S	.	.	H	α-helix	trans	-69.6	-36	175	-55.8	0	0	0	0	111.3	Y94 E100 K101	Y94-T97 HydrophobicContact CE2-CG2 4.21Å; Y94-T97 PolarHBondContact O-N 3.49Å; T97-E100 WeakPolarHBondContact O-CB 3.41Å; T97-E100 PolarHBondContact O-N 3.48Å; T97-K101 PolarHBondContact O-N 3.28Å; T97-K101 VanDerWaalsContact O-N 3.14Å
98	C	74.9	Confident	70.6	Confident	6 Å²	6	76.7 Å²	76.7	4%	0.041	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.2	-164.6	0	0	0	0	111.4	C38 Y94 V95 K96 E100 K101 F102	C38-C98 HydrophobicContact CB-CB 4.15Å; C38-C98 WeakPolarHBondContact CB-SG 3.24Å; C38-C98 WeakPolarHBondContact SG-CB 3.47Å; C38-C98 CovalentContact SG-SG 2.02Å; C38-C98 PolarHBondContact SG-SG 3.23Å; Y94-C98 HydrophobicContact CD1-CB 4.21Å; Y94-C98 HydrophobicContact CE1-CB 4.44Å; Y94-C98 VanDerWaalsContact O-CB 3.27Å; Y94-C98 WeakPolarHBondContact O-CB 3.46Å; Y94-C98 PolarHBondContact O-N 3.18Å; V95-C98 WeakPolarHBondContact O-CB 3.41Å; K96-C98 VanDerWaalsContact C-N 3.34Å; C98-E100 PolarHBondContact O-N 2.82Å; C98-K101 WeakPolarHBondContact O-CB 3.23Å; C98-K101 PolarHBondContact O-N 3.44Å; C98-K101 VanDerWaalsContact O-N 3.07Å; C98-F102 VanDerWaalsContact O-CD2 3.28Å; C98-F102 WeakPolarHBondContact O-CD2 3.43Å; C98-F102 PolarHBondContact O-N 2.92Å
99	Q	69.3	Low	69.2	Low	68 Å²	68	73.1 Å²	73.1	32%	0.318	38%	0.378	S	S	.	.	H	α-helix	trans	-57.5	-32.1	175.5	-80.1	179.7	-26.4	0	0	112.9	V95 K96 F102 K103 L114	V95-Q99 WeakPolarHBondContact O-CB 3.42Å; V95-Q99 WeakPolarHBondContact O-CG 3.04Å; V95-Q99 PolarHBondContact O-N 3.35Å; K96-Q99 PolarHBondContact O-N 3.49Å; Q99-F102 PolarHBondContact O-N 3.23Å; Q99-K103 WeakPolarHBondContact O-CB 3.46Å; Q99-K103 PolarHBondContact O-N 2.88Å; Q99-L114 HydrophobicContact CB-CD1 3.95Å; Q99-L114 HydrophobicContact CG-CD1 3.72Å; Q99-L114 HydrophobicContact CG-CD2 4.38Å
100	E	72.9	Confident	67.8	Low	126 Å²	126	73 Å²	73	59%	0.589	37%	0.369	S	S	*	.	H	α-helix	trans	-71.1	-41	175.5	-166.1	170.4	-163.4	0	0	112.1	K96 T97 C98 F102 K103 N104	K96-E100 PolarHBondContact O-N 2.97Å; T97-E100 WeakPolarHBondContact O-CB 3.41Å; T97-E100 PolarHBondContact O-N 3.48Å; C98-E100 PolarHBondContact O-N 2.82Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-K103 PolarHBondContact O-N 3.06Å; E100-N104 PolarHBondContact O-N 3.34Å
101	K	69.1	Low	66.8	Low	96 Å²	96	73 Å²	73	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-42	170.3	-73.7	-165.7	177.3	178.4	0	111.6	E41 T97 C98 K103 N104 L105	E41-K101 IonicContact OE1-NZ 3.43Å; E41-K101 PolarHBondContact OE1-NZ 2.75Å; E41-K101 IonicContact OE2-NZ 3Å; E41-K101 PolarHBondContact OE2-NZ 3.4Å; T97-K101 PolarHBondContact O-N 3.28Å; T97-K101 VanDerWaalsContact O-N 3.14Å; C98-K101 WeakPolarHBondContact O-CB 3.23Å; C98-K101 PolarHBondContact O-N 3.44Å; C98-K101 VanDerWaalsContact O-N 3.07Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 2.86Å; K101-N104 PolarHBondContact O-N 3.39Å; K101-L105 WeakPolarHBondContact O-CD1 3.46Å; K101-L105 PolarHBondContact O-N 3.09Å
102	F	68.7	Low	65.8	Low	10 Å²	10	75.2 Å²	75.2	4%	0.044	38%	0.38	C	S	.	.	H	α-helix	trans	-63.4	-36.2	174.9	-90.4	-78.7	0	0	0	113.3	E31 V34 F35 C98 Q99 E100 N104 L105	E31-F102 HydrophobicContact CB-CE1 4.06Å; E31-F102 HydrophobicContact CG-CE1 4.04Å; E31-F102 WeakPolarHBondContact O-CZ 3.31Å; V34-F102 HydrophobicContact CB-CD1 4.43Å; V34-F102 HydrophobicContact CB-CE1 3.72Å; V34-F102 HydrophobicContact CB-CE2 3.92Å; V34-F102 HydrophobicContact CB-CZ 3.43Å; V34-F102 VanDerWaalsContact CB-CZ 3.43Å; V34-F102 HydrophobicContact CG1-CD1 4.16Å; V34-F102 HydrophobicContact CG1-CD2 3.76Å; V34-F102 HydrophobicContact CG1-CE1 3.84Å; V34-F102 HydrophobicContact CG1-CE2 3.39Å; V34-F102 HydrophobicContact CG1-CG 4.14Å; V34-F102 HydrophobicContact CG1-CZ 3.45Å; V34-F102 VanDerWaalsContact CG1-CZ 3.45Å; F35-F102 HydrophobicContact CB-CZ 4.26Å; C98-F102 VanDerWaalsContact O-CD2 3.28Å; C98-F102 WeakPolarHBondContact O-CD2 3.43Å; C98-F102 PolarHBondContact O-N 2.92Å; Q99-F102 PolarHBondContact O-N 3.23Å; E100-F102 VanDerWaalsContact C-N 3.34Å; F102-N104 VanDerWaalsContact C-N 3.28Å; F102-N104 PolarHBondContact O-N 2.88Å; F102-L105 PolarHBondContact O-N 3.47Å
103	K	61.3	Low	65	Low	85 Å²	85	70.6 Å²	70.6	37%	0.37	36%	0.359	S	S	.	.	H	α-helix	trans	-67.2	-29.1	177.1	174.3	173.6	165.4	178.7	0	112.7	Q99 E100 K101 R115	Q99-K103 WeakPolarHBondContact O-CB 3.46Å; Q99-K103 PolarHBondContact O-N 2.88Å; E100-K103 PolarHBondContact O-N 3.06Å; K101-K103 VanDerWaalsContact C-N 3.34Å; K101-K103 PolarHBondContact O-N 2.86Å; K103-R115 HydrophobicContact CD-CG 3.89Å; K103-R115 HydrophobicContact CG-CG 3.78Å; K103-R115 PolarHBondContact O-NH1 2.91Å
104	N	66	Low	64.1	Low	128 Å²	128	70.1 Å²	70.1	68%	0.684	35%	0.353	S	S	*	.	H	α-helix	trans	-77.8	-18.5	175.4	-80.5	-17.5	0	0	0	113.3	E100 K101 F102 E106	E100-N104 PolarHBondContact O-N 3.34Å; K101-N104 PolarHBondContact O-N 3.39Å; F102-N104 VanDerWaalsContact C-N 3.28Å; F102-N104 PolarHBondContact O-N 2.88Å; N104-E106 PolarHBondContact O-N 3.02Å
105	L	61.2	Low	63.5	Low	82 Å²	82	72.6 Å²	72.6	43%	0.429	36%	0.362	S	S	.	.			trans	-80.1	112.1	168.8	-89.9	70.8	0	0	0	108.8	V34 K101 F102 N107	V34-L105 HydrophobicContact CG2-CD2 3.97Å; K101-L105 WeakPolarHBondContact O-CD1 3.46Å; K101-L105 PolarHBondContact O-N 3.09Å; F102-L105 PolarHBondContact O-N 3.47Å; L105-N107 PolarHBondContact O-N 2.92Å
106	E	53.6	Low	62.8	Low	167 Å²	167	72.7 Å²	72.7	78%	0.78	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12.8	-172.9	-67	-179.3	155.1	0	0	114	N104	N104-E106 PolarHBondContact O-N 3.02Å
107	N	50.2	Low	62.1	Low	159 Å²	159	68 Å²	68	85%	0.85	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	13.1	-164.6	-62.9	-33.6	0	0	0	116.2	L105	L105-N107 PolarHBondContact O-N 2.92Å
108	S	54.3	Low	60.8	Low	12 Å²	12	70.2 Å²	70.2	8%	0.084	36%	0.364	C	S	.	.			trans	-127.4	131.7	-174.4	-121.3	0	0	0	0	115	E31 L110 G111 E112	E31-S108 WeakPolarHBondContact CG-OG 3.07Å; E31-S108 WeakPolarHBondContact OE1-CB 3.26Å; E31-S108 PolarHBondContact OE1-OG 3.23Å; S108-L110 PolarHBondContact O-N 3.47Å; S108-G111 PolarHBondContact O-N 3.04Å; S108-E112 PolarHBondContact O-N 2.98Å
109	P	55.1	Low	59.5	Low	40 Å²	40	72.8 Å²	72.8	26%	0.26	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-20.3	-176.1	26.2	-33.1	0	0	0	113.2	P19 Y25 E112 A113	P19-P109 HydrophobicContact CG-CB 4.05Å; Y25-P109 HydrophobicContact CE2-CG 4.14Å; Y25-P109 WeakPolarHBondContact OH-CG 3.49Å; P109-E112 PolarHBondContact O-N 2.99Å; P109-A113 PolarHBondContact O-N 3.05Å
110	L	55.4	Low	58.6	Low	52 Å²	52	80.5 Å²	80.5	27%	0.272	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-36.9	172.1	-162	78.4	0	0	0	112.7	I21 Y25 E31 S108 E112 L114	I21-L110 HydrophobicContact CD1-CD1 4.3Å; I21-L110 HydrophobicContact CG1-CD1 4.48Å; Y25-L110 HydrophobicContact CE1-CD1 4.35Å; E31-L110 VanDerWaalsContact OE1-CB 3.26Å; E31-L110 WeakPolarHBondContact OE1-CB 3.47Å; S108-L110 PolarHBondContact O-N 3.47Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-L114 WeakPolarHBondContact O-CG 3.2Å; L110-L114 PolarHBondContact O-N 3.5Å; L110-L114 VanDerWaalsContact O-N 3.12Å
111	G	61.2	Low	57.5	Low	0 Å²	0	85.5 Å²	85.5	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-68.3	-34.4	175.3	0	0	0	0	0	112.2	S108 L114 R115	S108-G111 PolarHBondContact O-N 3.04Å; G111-L114 PolarHBondContact O-N 3.08Å; G111-R115 VanDerWaalsContact O-CG 3.28Å; G111-R115 WeakPolarHBondContact O-CG 3.38Å; G111-R115 PolarHBondContact O-N 3.08Å
112	E	58.9	Low	56.3	Low	80 Å²	80	84.8 Å²	84.8	37%	0.374	44%	0.438	S	S	.	.	H	α-helix	trans	-69.5	-39.2	176.9	-164.2	176.7	174.2	0	0	112.5	S108 P109 L110 R115 S116	S108-E112 PolarHBondContact O-N 2.98Å; P109-E112 PolarHBondContact O-N 2.99Å; L110-E112 VanDerWaalsContact C-N 3.34Å; E112-R115 PolarHBondContact O-N 3.1Å; E112-S116 PolarHBondContact O-N 3.41Å; E112-S116 PolarHBondContact O-OG 2.94Å; E112-S116 VanDerWaalsContact O-OG 3.09Å
113	A	60.7	Low	54.9	Low	21 Å²	21	89.5 Å²	89.5	17%	0.174	47%	0.472	C	S	.	.	H	α-helix	trans	-68.3	-34.4	173.3	0	0	0	0	0	113.6	I21 P109 S116 G117	I21-A113 HydrophobicContact CD1-CB 2.97Å; I21-A113 HydrophobicContact CG1-CB 4.46Å; P109-A113 PolarHBondContact O-N 3.05Å; A113-S116 WeakPolarHBondContact CA-OG 3.26Å; A113-S116 PolarHBondContact O-OG 3.2Å; A113-G117 PolarHBondContact O-N 2.95Å
114	L	58.4	Low	54.2	Low	41 Å²	41	90.5 Å²	90.5	22%	0.215	49%	0.487	C	S	.	.	H	α-helix	trans	-68.1	-38.7	171.9	-71.3	168.7	0	0	0	111.6	Q99 L110 G111 Q118	Q99-L114 HydrophobicContact CB-CD1 3.95Å; Q99-L114 HydrophobicContact CG-CD1 3.72Å; Q99-L114 HydrophobicContact CG-CD2 4.38Å; L110-L114 WeakPolarHBondContact O-CG 3.2Å; L110-L114 PolarHBondContact O-N 3.5Å; L110-L114 VanDerWaalsContact O-N 3.12Å; G111-L114 PolarHBondContact O-N 3.08Å; L114-Q118 VanDerWaalsContact O-CB 3.31Å; L114-Q118 WeakPolarHBondContact O-CB 3.24Å; L114-Q118 PolarHBondContact O-N 3.33Å
115	R	61.6	Low	53.4	Low	85 Å²	85	90.7 Å²	90.7	32%	0.321	50%	0.495	S	S	.	.	H	α-helix	trans	-62.9	-43.9	174.2	-74.6	-176.4	-64.8	-102.8	3.6	112.3	K103 G111 E112 G119	K103-R115 HydrophobicContact CD-CG 3.89Å; K103-R115 HydrophobicContact CG-CG 3.78Å; K103-R115 PolarHBondContact O-NH1 2.91Å; G111-R115 VanDerWaalsContact O-CG 3.28Å; G111-R115 WeakPolarHBondContact O-CG 3.38Å; G111-R115 PolarHBondContact O-N 3.08Å; E112-R115 PolarHBondContact O-N 3.1Å; R115-G119 PolarHBondContact O-N 3.46Å
116	S	56.9	Low	52.1	Low	61 Å²	61	90 Å²	90	43%	0.427	51%	0.507	S	S	.	.	H	α-helix	trans	-75.8	-34.5	-179.3	59.7	0	0	0	0	113.7	E112 A113	E112-S116 PolarHBondContact O-N 3.41Å; E112-S116 PolarHBondContact O-OG 2.94Å; E112-S116 VanDerWaalsContact O-OG 3.09Å; A113-S116 WeakPolarHBondContact CA-OG 3.26Å; A113-S116 PolarHBondContact O-OG 3.2Å
117	G	57.2	Low	51.9	Low	46 Å²	46	90.8 Å²	90.8	47%	0.474	51%	0.511	S	S	.	.	H	α-helix	trans	-72.7	-30.1	177.6	0	0	0	0	0	114.5	A113	A113-G117 PolarHBondContact O-N 2.95Å
118	Q	50.4	Low	51.1	Low	110 Å²	110	92.9 Å²	92.9	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-86.7	-25.6	-176.6	-152.5	173.9	-0.6	0	0	113.2	L114 R120 R121 S122	L114-Q118 VanDerWaalsContact O-CB 3.31Å; L114-Q118 WeakPolarHBondContact O-CB 3.24Å; L114-Q118 PolarHBondContact O-N 3.33Å; Q118-R120 PolarHBondContact O-N 3.25Å; Q118-R120 VanDerWaalsContact O-N 3.07Å; Q118-R121 PolarHBondContact O-N 2.98Å; Q118-S122 PolarHBondContact O-N 3.4Å; Q118-S122 VanDerWaalsContact O-N 3.1Å; Q118-S122 PolarHBondContact O-OG 2.95Å
119	G	47.2	Very low	50.8	Low	60 Å²	60	103.3 Å²	103.3	62%	0.619	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.2	171.4	0	0	0	0	0	114.3	R115	R115-G119 PolarHBondContact O-N 3.46Å
120	R	49.4	Very low	50	Low	230 Å²	230	109.2 Å²	109.2	87%	0.868	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-8.7	171.9	-70.9	-167.7	164.4	-160	-3.7	114.9	Q118	Q118-R120 PolarHBondContact O-N 3.25Å; Q118-R120 VanDerWaalsContact O-N 3.07Å
121	R	50.3	Low	49.2	Very low	231 Å²	231	116 Å²	116	87%	0.872	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-8.8	-178.4	-70.7	-167.8	179.5	174.9	1.9	114.7	Q118	Q118-R121 PolarHBondContact O-N 2.98Å
122	S	44.5	Very low	48.2	Very low	81 Å²	81	121 Å²	121	57%	0.566	63%	0.634	S	S	*	*			trans	-109.5	69.1	172.4	57.8	0	0	0	0	110.9	Q118	Q118-S122 PolarHBondContact O-N 3.4Å; Q118-S122 VanDerWaalsContact O-N 3.1Å; Q118-S122 PolarHBondContact O-OG 2.95Å
123	S	40.1	Very low	47.2	Very low	108 Å²	108	125.8 Å²	125.8	76%	0.755	65%	0.654	S	S	*	*			trans	-93.6	128.2	154.2	-167.1	0	0	0	0	107.3
124	P	46.5	Very low	46.1	Very low	106 Å²	106	134.6 Å²	134.6	69%	0.688	68%	0.684	S	S	*	*			trans	-62.1	152.4	173.6	-15.2	28.1	0	0	0	110.5	G126	P124-G126 PolarHBondContact O-N 3.18Å
125	P	47.3	Very low	45	Very low	133 Å²	133	139.1 Å²	139.1	86%	0.864	71%	0.708	S	S	*	*			trans	-75.7	77.4	171.3	32.4	-30.4	0	0	0	108.6
126	G	35.8	Very low	44	Very low	66 Å²	66	139.4 Å²	139.4	68%	0.68	72%	0.724	S	S	*	*			trans	-84.3	109.1	171.7	0	0	0	0	0	109.6	P124 Y128	P124-G126 PolarHBondContact O-N 3.18Å; G126-Y128 PolarHBondContact O-N 2.56Å; G126-Y128 VanDerWaalsContact O-N 3.08Å
127	H	47.7	Very low	42.9	Very low	185 Å²	185	143.1 Å²	143.1	86%	0.856	74%	0.739	S	S	*	*			trans	-50	111.6	162.3	-78.4	-86.4	0	0	0	109.9
128	Y	35.3	Very low	41.9	Very low	202 Å²	202	148.1 Å²	148.1	79%	0.792	76%	0.759	S	S	*	*			trans	-135	106.1	157.3	-133	-99.9	0	0	0	108.9	G126 Q130	G126-Y128 PolarHBondContact O-N 2.56Å; G126-Y128 VanDerWaalsContact O-N 3.08Å; Y128-Q130 PolarHBondContact O-N 2.92Å
129	Y	47.6	Very low	41.4	Very low	231 Å²	231	148.5 Å²	148.5	91%	0.906	77%	0.774	S	S	*	*			trans	-55	103.9	159.4	-106.1	-100.1	0	0	0	107.7
130	Q	38.7	Very low	41	Very low	165 Å²	165	149.2 Å²	149.2	77%	0.771	78%	0.781	S	S	*	*			trans	-124.5	92.5	164.6	-158.6	154.1	-8.6	0	0	109.4	Y128 S132	Y128-Q130 PolarHBondContact O-N 2.92Å; Q130-S132 PolarHBondContact O-N 2.9Å; Q130-S132 VanDerWaalsContact O-N 3.1Å
131	K	37.2	Very low	40.6	Very low	193 Å²	193	145.9 Å²	145.9	84%	0.839	78%	0.776	S	S	*	*			trans	-41.2	104.9	167.2	-176.3	173.2	-176.5	172.1	0	110.7	K133	K131-K133 PolarHBondContact O-N 3.1Å
132	S	40.2	Very low	39.7	Very low	106 Å²	106	140.4 Å²	140.4	74%	0.741	77%	0.773	S	S	*	*			trans	-76.2	105.5	162.8	69.5	0	0	0	0	107.8	Q130 Y134	Q130-S132 PolarHBondContact O-N 2.9Å; Q130-S132 VanDerWaalsContact O-N 3.1Å; S132-Y134 PolarHBondContact O-N 3.33Å
133	K	38.7	Very low	39.2	Very low	180 Å²	180	145 Å²	145	78%	0.783	78%	0.783	S	S	*	*			trans	-61.8	116	170.3	-151.3	-172.7	-161.6	-169.1	0	107.3	K131 D135	K131-K133 PolarHBondContact O-N 3.1Å; K133-D135 PolarHBondContact O-N 3.26Å
134	Y	38	Very low	38.9	Very low	206 Å²	206	146.4 Å²	146.4	81%	0.808	79%	0.787	S	S	*	*			trans	-54.8	126.1	159.7	-95.5	-100	0	0	0	108	S132	S132-Y134 PolarHBondContact O-N 3.33Å
135	D	33.7	Very low	38.6	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	79%	0.791	S	S	*	*			trans	-135.5	107.6	150.1	-136.4	-38.7	0	0	0	107.6	K133	K133-D135 PolarHBondContact O-N 3.26Å
136	S	40.7	Very low	37.9	Very low	92 Å²	92	146.6 Å²	146.6	64%	0.643	79%	0.789	S	S	*	*			trans	-111.2	108.1	177	-61.8	0	0	0	0	106.5
137	N	34.2	Very low	38	Very low	139 Å²	139	148.9 Å²	148.9	74%	0.743	79%	0.794	S	S	*	*			trans	175.8	102.3	144.2	52.3	15.3	0	0	0	113.1
138	V	37	Very low	37.3	Very low	150 Å²	150	145.2 Å²	145.2	91%	0.909	80%	0.796	S	S	*	*				-143.3	119.6	126.3	106.6	0	0	0	0	108.8
139	S	40.3	Very low	37.5	Very low	118 Å²	118	139.6 Å²	139.6	83%	0.825	79%	0.792	S	S	*	*			trans	-86.6	142.9	175	177.8	0	0	0	0	108.7
140	G	37.2	Very low	36.9	Very low	75 Å²	75	134.8 Å²	134.8	77%	0.773	78%	0.782	S	S	*	*			trans	178.2	86.8	171.6	0	0	0	0	0	111.8
141	Q	41.6	Very low	36.8	Very low	160 Å²	160	135.3 Å²	135.3	75%	0.748	79%	0.79	S	S	*	*			trans	-56.6	150.7	175.3	-66.5	169.2	-47	0	0	113.2	F143	Q141-F143 HydrophobicContact CB-CE2 4.33Å; Q141-F143 HydrophobicContact CG-CE2 4.22Å
142	S	31	Very low	37	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	78%	0.782	S	S	*	*				-173	126.1	117.2	26.3	0	0	0	0	112.1
143	F	34	Very low	36.8	Very low	177 Å²	177	136.2 Å²	136.2	78%	0.776	79%	0.788	S	S	*	*			trans	-100.7	123.5	170.2	-33	-97.2	0	0	0	105.7	Q141	Q141-F143 HydrophobicContact CB-CE2 4.33Å; Q141-F143 HydrophobicContact CG-CE2 4.22Å
144	V	35.1	Very low	36.5	Very low	138 Å²	138	136.3 Å²	136.3	84%	0.836	79%	0.793	S	S	*	*			trans	-144.6	115.9	158.2	-177.8	0	0	0	0	109.4
145	T	39.3	Very low	36.7	Very low	124 Å²	124	133.7 Å²	133.7	76%	0.761	79%	0.793	S	S	*	*			trans	-71.6	142.3	164.5	-26.2	0	0	0	0	109.9
146	S	32.8	Very low	37.3	Very low	119 Å²	119	132.5 Å²	132.5	83%	0.832	79%	0.793	S	S	*	*			trans	-155.8	116.7	149.3	-82.8	0	0	0	0	111.4
147	S	36.9	Very low	37	Very low	113 Å²	113	136 Å²	136	79%	0.79	80%	0.798	S	S	*	*			trans	-87.7	140.4	164.1	-42	0	0	0	0	108.7
148	A	34	Very low	37.1	Very low	109 Å²	109	138.8 Å²	138.8	90%	0.901	80%	0.8	S	S	*	*			trans	-170.7	149.4	147	0	0	0	0	0	111.3
149	A	38.6	Very low	37.4	Very low	84 Å²	84	138.5 Å²	138.5	69%	0.694	79%	0.789	S	S	*	*			trans	-85.9	173.8	-162.3	0	0	0	0	0	115.8
150	D	35.6	Very low	38.1	Very low	130 Å²	130	137 Å²	137	70%	0.695	78%	0.776	S	S	*	*			trans	61.1	121.8	143.5	-77.2	-26.3	0	0	0	120.8
151	N	37.1	Very low	38.4	Very low	175 Å²	175	140.2 Å²	140.2	94%	0.936	77%	0.774	S	S	*	*				-146.9	123.9	127.9	-85.1	-66.6	0	0	0	109.4
152	I	40.5	Very low	38.6	Very low	134 Å²	134	137.7 Å²	137.7	69%	0.687	77%	0.772	S	S	*	*			trans	-91.6	158.1	-178.4	-82.2	-177.7	0	0	0	110.9
153	E	37.2	Very low	39.1	Very low	184 Å²	184	142.3 Å²	142.3	86%	0.86	78%	0.777	S	S	*	*			trans	86.3	113.5	157.3	-92	166.6	-170.5	0	0	119.8
154	M	31.4	Very low	39.4	Very low	182 Å²	182	139.1 Å²	139.1	90%	0.897	78%	0.777	S	S	*	*				-177.7	116.4	102.4	-172.4	150	167.3	0	0	111.3
155	L	42.3	Very low	39.9	Very low	151 Å²	151	137.7 Å²	137.7	79%	0.791	77%	0.773	S	S	*	*			trans	-81.5	144.4	171	-170.1	113.6	0	0	0	109.8
156	P	45.9	Very low	40	Very low	112 Å²	112	137.3 Å²	137.3	73%	0.727	78%	0.775	S	S	*	*				-146	171.3	110.4	20.5	3	0	0	0	110.8
157	H	34.8	Very low	40.8	Very low	165 Å²	165	139.5 Å²	139.5	76%	0.764	78%	0.775	S	S	*	*			cis	-166.9	132.1	-12	-173.6	73.9	0	0	0	103
158	Y	37.2	Very low	40.9	Very low	197 Å²	197	140.5 Å²	140.5	77%	0.773	77%	0.771	S	S	*	*			trans	-78.5	127	179.8	179.6	-96.1	0	0	0	110.3	P160	Y158-P160 HydrophobicContact CD1-CB 4.45Å; Y158-P160 HydrophobicContact CD1-CG 4.37Å; Y158-P160 HydrophobicContact CE1-CB 3.69Å; Y158-P160 HydrophobicContact CE1-CG 4Å
159	E	42.4	Very low	41.8	Very low	145 Å²	145	143.2 Å²	143.2	68%	0.678	77%	0.765	S	S	*	*			trans	-120.7	112.3	173.2	-125.4	-92.3	133.3	0	0	108.2
160	P	55.4	Low	42	Very low	85 Å²	85	144.3 Å²	144.3	55%	0.552	77%	0.767	S	S	*	*			trans	-86.3	123.4	179.2	29.3	-26.1	0	0	0	111	Y158	Y158-P160 HydrophobicContact CD1-CB 4.45Å; Y158-P160 HydrophobicContact CD1-CG 4.37Å; Y158-P160 HydrophobicContact CE1-CB 3.69Å; Y158-P160 HydrophobicContact CE1-CG 4Å
161	I	42.9	Very low	42.6	Very low	143 Å²	143	142.4 Å²	142.4	73%	0.733	77%	0.77	S	S	*	*			trans	-112.9	139.1	177.3	-62.8	179.2	0	0	0	109.6
162	P	47	Very low	43.5	Very low	108 Å²	108	139.8 Å²	139.8	70%	0.701	76%	0.762	S	S	*	*			trans	-99.3	161.8	-132.3	37.4	-35.5	0	0	0	114.5	S164	P162-S164 PolarHBondContact O-N 3.41Å
163	F	40.8	Very low	43.7	Very low	213 Å²	213	140.4 Å²	140.4	93%	0.934	77%	0.772	S	S	*	*			trans	-57.4	118.5	158.6	-105.6	-96.3	0	0	0	109.5
164	S	39.5	Very low	43.8	Very low	110 Å²	110	134.7 Å²	134.7	77%	0.769	76%	0.763	S	S	*	*			trans	-150	108	150.9	-85.3	0	0	0	0	110.6	P162	P162-S164 PolarHBondContact O-N 3.41Å
165	S	46.7	Very low	44.5	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	76%	0.759	S	S	*	*			trans	-28.7	124.6	150.7	44.7	0	0	0	0	114.7
166	S	40.7	Very low	44.6	Very low	115 Å²	115	131.3 Å²	131.3	80%	0.804	75%	0.752	S	S	*	*			trans	-130.1	107.4	139.3	69.7	0	0	0	0	108.1	N168	S166-N168 PolarHBondContact O-N 3.18Å
167	M	49.2	Very low	44.7	Very low	166 Å²	166	131.8 Å²	131.8	82%	0.818	75%	0.748	S	S	*	*			trans	-58.9	121.7	164.8	-63.8	-166.9	175.5	0	0	108.6
168	N	40.2	Very low	45.2	Very low	133 Å²	133	131.5 Å²	131.5	71%	0.711	75%	0.747	S	S	*	*			trans	-106.1	83.3	151.8	169	8.5	0	0	0	105.9	S166 S170	S166-N168 PolarHBondContact O-N 3.18Å; N168-S170 PolarHBondContact O-N 3.33Å; N168-S170 WeakPolarHBondContact OD1-CB 3.28Å; N168-S170 PolarHBondContact OD1-OG 3.45Å
169	E	51.6	Low	45.3	Very low	166 Å²	166	128.2 Å²	128.2	78%	0.776	74%	0.742	S	S	*	*			trans	-63.5	112.9	155.3	-95.2	174.9	102.3	0	0	107.7
170	S	42.7	Very low	45.2	Very low	107 Å²	107	128 Å²	128	75%	0.748	75%	0.75	S	S	*	*			trans	-141.2	76.6	162.1	-68.5	0	0	0	0	109.5	N168	N168-S170 PolarHBondContact O-N 3.33Å; N168-S170 WeakPolarHBondContact OD1-CB 3.28Å; N168-S170 PolarHBondContact OD1-OG 3.45Å
171	A	50.3	Low	44.7	Very low	90 Å²	90	132.7 Å²	132.7	74%	0.744	77%	0.765	S	S	*	*			trans	-133.3	131.5	142.6	0	0	0	0	0	104.7
172	P	54.6	Low	44.6	Very low	120 Å²	120	129 Å²	129	78%	0.779	76%	0.762	S	S	*	*				-154.6	153	73.8	37	-17.2	0	0	0	114.9
173	T	44.3	Very low	44.6	Very low	147 Å²	147	130.3 Å²	130.3	90%	0.902	77%	0.77	S	S	*	*			trans	-148.9	108	135	44.2	0	0	0	0	108.7
174	G	40.4	Very low	44.6	Very low	65 Å²	65	127.4 Å²	127.4	67%	0.67	76%	0.764	S	S	*	*			trans	-78.7	161.2	158.2	0	0	0	0	0	111.1
175	I	46.8	Very low	45	Very low	155 Å²	155	127.6 Å²	127.6	80%	0.795	76%	0.763	S	S	*	*			trans	60.3	106.3	153.2	-63.8	170.7	0	0	0	116.2
176	T	42.5	Very low	44.4	Very low	107 Å²	107	128.7 Å²	128.7	66%	0.656	76%	0.76	S	S	*	*				-134.8	111	128.1	-166.2	0	0	0	0	108.6	H178	T176-H178 WeakPolarHBondContact CG2-NE2 2.9Å; T176-H178 PolarHBondContact O-N 2.58Å
177	D	49.1	Very low	44.8	Very low	121 Å²	121	130.1 Å²	130.1	65%	0.647	76%	0.758	S	S	*	*			trans	-68	113.3	167.4	-74.6	-63.4	0	0	0	108.6
178	H	44.8	Very low	44.5	Very low	159 Å²	159	131.2 Å²	131.2	74%	0.736	76%	0.762	S	S	*	*			trans	-102.4	77.9	158.7	-67.1	-59.3	0	0	0	108.6	T176 V180	T176-H178 WeakPolarHBondContact CG2-NE2 2.9Å; T176-H178 PolarHBondContact O-N 2.58Å; H178-V180 PolarHBondContact O-N 3.35Å
179	I	40	Very low	44.9	Very low	129 Å²	129	134 Å²	134	66%	0.662	77%	0.77	S	S	*	*			trans	-64.4	109.2	159.7	-71.1	163.2	0	0	0	107.2	Q181	I179-Q181 HydrophobicContact CG2-CG 4.05Å
180	V	40.7	Very low	44.6	Very low	139 Å²	139	130.3 Å²	130.3	84%	0.842	76%	0.763	S	S	*	*			trans	-100.7	108.7	153.4	174.6	0	0	0	0	106.1	H178	H178-V180 PolarHBondContact O-N 3.35Å
181	Q	44	Very low	44.9	Very low	185 Å²	185	131.1 Å²	131.1	86%	0.864	77%	0.766	S	S	*	*			trans	-65.2	125.1	173	-89.2	172.7	-17.1	0	0	110.7	I179	I179-Q181 HydrophobicContact CG2-CG 4.05Å
182	G	41.5	Very low	45	Very low	66 Å²	66	136 Å²	136	68%	0.68	77%	0.77	S	S	*	*			trans	-145.5	138.2	159.6	0	0	0	0	0	108.5
183	P	45.6	Very low	45.3	Very low	135 Å²	135	141.7 Å²	141.7	88%	0.877	78%	0.776	S	S	*	*			trans	-79.7	143.3	-159.9	30.9	-33.1	0	0	0	114.6
184	D	41.6	Very low	46.6	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	77%	0.77	S	S	*	*			trans	-43	161.3	168.8	-99.5	-58.5	0	0	0	115.4
185	P	48.9	Very low	48.1	Very low	115 Å²	115	146.6 Å²	146.6	75%	0.747	77%	0.773	S	S	*	*			cis	-152.3	167	45.8	40.7	-18.8	0	0	0	119.6
186	N	34.1	Very low	49.7	Very low	131 Å²	131	144.7 Å²	144.7	70%	0.701	76%	0.763	S	S	*	*			trans	99.7	115	137.1	-143.9	-99.7	0	0	0	120.1
187	L	48.5	Very low	51.8	Low	145 Å²	145	143.4 Å²	143.4	76%	0.759	76%	0.755	S	S	*	*			trans	34.1	116.8	152	-84.5	97.4	0	0	0	120
188	E	43.3	Very low	53.2	Low	190 Å²	190	146 Å²	146	89%	0.888	76%	0.757	S	S	*	*				-157.7	123.7	122.8	-100.1	-103.8	109.7	0	0	109.6	S190	E188-S190 PolarHBondContact O-N 2.55Å
189	E	48.7	Very low	55.1	Low	190 Å²	190	143.4 Å²	143.4	89%	0.888	75%	0.745	S	S	*	*			trans	-74.7	99.1	-176.4	-173.8	167.9	142.5	0	0	109.8
190	S	44.6	Very low	57.4	Low	90 Å²	90	142.4 Å²	142.4	63%	0.629	74%	0.738	S	S	*	*			trans	-84.6	138	167.6	52.9	0	0	0	0	109.8	E188 K192	E188-S190 PolarHBondContact O-N 2.55Å; S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact O-N 2.89Å
191	P	49.1	Very low	59.6	Low	124 Å²	124	140.7 Å²	140.7	81%	0.805	72%	0.723	S	S	*	*			trans	-67.4	94.5	178.6	25.8	-31.8	0	0	0	109.2	R193	P191-R193 PolarHBondContact O-N 2.02Å
192	K	51.5	Low	61.7	Low	191 Å²	191	138.3 Å²	138.3	83%	0.83	71%	0.707	S	S	*	*			trans	-57.3	106.5	170.4	-92	179.3	177.1	177.1	0	107.7	S190 K194	S190-K192 VanDerWaalsContact C-N 3.34Å; S190-K192 PolarHBondContact O-N 2.89Å; K192-K194 PolarHBondContact O-N 3.18Å
193	R	61.3	Low	64.2	Low	240 Å²	240	139.1 Å²	139.1	91%	0.906	70%	0.695	S	S	*	*			trans	-49.4	114	163.2	-68.2	-175.9	177.1	174.5	-0.1	106.3	P191 N195	P191-R193 PolarHBondContact O-N 2.02Å; R193-N195 PolarHBondContact O-N 2.97Å
194	K	71.7	Confident	66.3	Low	177 Å²	177	139.5 Å²	139.5	77%	0.77	68%	0.683	S	S	*	*			trans	-55.5	129.1	178.8	-62.1	-179.7	-177.6	-178.7	0	107.3	K192 I196	K192-K194 PolarHBondContact O-N 3.18Å; K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 2.72Å
195	N	72.2	Confident	68.6	Low	138 Å²	138	138 Å²	138	74%	0.738	68%	0.675	S	S	*	*			trans	-66.3	96.6	173.9	52.9	-21.8	0	0	0	108	R193 T197	R193-N195 PolarHBondContact O-N 2.97Å; N195-T197 PolarHBondContact O-N 3.18Å; N195-T197 VanDerWaalsContact O-N 3.08Å; N195-T197 PolarHBondContact O-OG1 3.18Å
196	I	80.5	Confident	70.7	Confident	116 Å²	116	139.2 Å²	139.2	60%	0.595	67%	0.665	S	S	*	*			trans	-61	117.8	176.6	-61.8	163.2	0	0	0	107.1	K194 E200 L201	K194-I196 VanDerWaalsContact C-N 3.35Å; K194-I196 PolarHBondContact O-N 2.72Å; I196-E200 HydrophobicContact CG2-CB 4.38Å; I196-L201 HydrophobicContact CG2-CD1 3.46Å; I196-L201 VanDerWaalsContact CG2-CD1 3.46Å; I196-L201 HydrophobicContact CG2-CG 3.75Å
197	T	85.3	Confident	73.3	Confident	79 Å²	79	138.4 Å²	138.4	49%	0.485	66%	0.657	S	S	.	*			trans	-86.8	151.2	-180	-58.8	0	0	0	0	109.4	N195 E199 E200 L201	N195-T197 PolarHBondContact O-N 3.18Å; N195-T197 VanDerWaalsContact O-N 3.08Å; N195-T197 PolarHBondContact O-OG1 3.18Å; T197-E199 PolarHBondContact O-N 2.8Å; T197-E200 WeakPolarHBondContact O-CA 2.86Å; T197-E200 VanDerWaalsContact O-CB 3.26Å; T197-E200 WeakPolarHBondContact O-CB 3.37Å; T197-E200 PolarHBondContact O-N 3.34Å; T197-L201 PolarHBondContact O-N 3.47Å
198	Y	79.5	Confident	75	Confident	177 Å²	177	134.5 Å²	134.5	69%	0.694	64%	0.641	S	S	*	*	H	α-helix	trans	-54.4	-39.3	-178.1	-177.3	-96	0	0	0	113.2	E200 L201 R202	Y198-E200 VanDerWaalsContact C-N 3.27Å; Y198-E200 PolarHBondContact O-N 3.12Å; Y198-L201 PolarHBondContact O-N 3.03Å; Y198-R202 PolarHBondContact O-N 2.93Å
199	E	85.3	Confident	76.8	Confident	103 Å²	103	133.1 Å²	133.1	48%	0.481	63%	0.629	S	S	.	*	H	α-helix	trans	-62.1	-32.8	175.2	-70.4	-61.9	160.2	0	0	112.8	T197 R202 N203	T197-E199 PolarHBondContact O-N 2.8Å; E199-R202 PolarHBondContact O-N 2.97Å; E199-N203 PolarHBondContact O-N 3.43Å
200	E	86.4	Confident	78.3	Confident	108 Å²	108	129.1 Å²	129.1	51%	0.505	61%	0.611	S	S	.	*	H	α-helix	trans	-70.8	-40.2	178.1	-162.2	178	-177.7	0	0	111.3	I196 T197 Y198 R202 K204	I196-E200 HydrophobicContact CG2-CB 4.38Å; T197-E200 WeakPolarHBondContact O-CA 2.86Å; T197-E200 VanDerWaalsContact O-CB 3.26Å; T197-E200 WeakPolarHBondContact O-CB 3.37Å; T197-E200 PolarHBondContact O-N 3.34Å; Y198-E200 VanDerWaalsContact C-N 3.27Å; Y198-E200 PolarHBondContact O-N 3.12Å; E200-R202 VanDerWaalsContact C-N 3.33Å; E200-K204 VanDerWaalsContact O-CB 3.31Å; E200-K204 WeakPolarHBondContact O-CB 3.27Å; E200-K204 PolarHBondContact O-N 3.44Å
201	L	87.6	Confident	80.1	Confident	104 Å²	104	129.1 Å²	129.1	55%	0.545	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-40.4	171.2	-88.3	135.5	0	0	0	111.9	I196 T197 Y198 K204 N205	I196-L201 HydrophobicContact CG2-CD1 3.46Å; I196-L201 VanDerWaalsContact CG2-CD1 3.46Å; I196-L201 HydrophobicContact CG2-CG 3.75Å; T197-L201 PolarHBondContact O-N 3.47Å; Y198-L201 PolarHBondContact O-N 3.03Å; L201-K204 PolarHBondContact O-N 2.93Å; L201-N205 WeakPolarHBondContact O-CB 2.79Å; L201-N205 PolarHBondContact O-N 3Å
202	R	89.1	Confident	81.4	Confident	135 Å²	135	126.4 Å²	126.4	51%	0.509	59%	0.591	S	S	.	*	H	α-helix	trans	-64.8	-46.2	178.8	-167.7	-176.8	-168.4	-157.3	4.5	111.7	Y198 E199 E200 N205 R206	Y198-R202 PolarHBondContact O-N 2.93Å; E199-R202 PolarHBondContact O-N 2.97Å; E200-R202 VanDerWaalsContact C-N 3.33Å; R202-N205 PolarHBondContact O-N 2.64Å; R202-R206 PolarHBondContact O-N 3.46Å; R202-R206 VanDerWaalsContact O-N 3.08Å
203	N	93	Very high	82.7	Confident	82 Å²	82	121.4 Å²	121.4	44%	0.439	57%	0.573	S	S	.	*	H	α-helix	trans	-62.4	-44.7	175.3	-79.1	0.5	0	0	0	111.2	E199 N205 R206 E207	E199-N203 PolarHBondContact O-N 3.43Å; N203-N205 VanDerWaalsContact C-N 3.28Å; N203-N205 PolarHBondContact O-N 3.43Å; N203-R206 WeakPolarHBondContact O-CB 3.46Å; N203-R206 PolarHBondContact O-N 3.04Å; N203-R206 VanDerWaalsContact O-N 3.12Å; N203-E207 WeakPolarHBondContact O-CG 3.43Å; N203-E207 PolarHBondContact O-N 3.45Å
204	K	90.5	Very high	82.9	Confident	144 Å²	144	114.2 Å²	114.2	63%	0.626	56%	0.555	S	S	*	*	H	α-helix	trans	-61.6	-35.6	177.8	-167.8	166.9	-173.7	165.1	0	113.1	E200 L201 S208	E200-K204 VanDerWaalsContact O-CB 3.31Å; E200-K204 WeakPolarHBondContact O-CB 3.27Å; E200-K204 PolarHBondContact O-N 3.44Å; L201-K204 PolarHBondContact O-N 2.93Å; K204-S208 WeakPolarHBondContact O-CB 3.37Å; K204-S208 PolarHBondContact O-N 3.17Å; K204-S208 PolarHBondContact O-OG 3.22Å
205	N	89.8	Confident	82.5	Confident	119 Å²	119	113.2 Å²	113.2	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-69.1	-40.7	175.7	-161.4	-91.8	0	0	0	111.7	L201 R202 N203 S208 Y209	L201-N205 WeakPolarHBondContact O-CB 2.79Å; L201-N205 PolarHBondContact O-N 3Å; R202-N205 PolarHBondContact O-N 2.64Å; N203-N205 VanDerWaalsContact C-N 3.28Å; N203-N205 PolarHBondContact O-N 3.43Å; N205-S208 PolarHBondContact O-N 3.48Å; N205-Y209 PolarHBondContact O-N 3.14Å; N205-Y209 VanDerWaalsContact O-N 3.09Å
206	R	93.2	Very high	82	Confident	140 Å²	140	115 Å²	115	53%	0.528	56%	0.555	S	S	.	*	H	α-helix	trans	-60.2	-50	173	-175.8	-173.2	-62.8	-85	0.8	111.5	R202 N203 S208 Y209 E210	R202-R206 PolarHBondContact O-N 3.46Å; R202-R206 VanDerWaalsContact O-N 3.08Å; N203-R206 WeakPolarHBondContact O-CB 3.46Å; N203-R206 PolarHBondContact O-N 3.04Å; N203-R206 VanDerWaalsContact O-N 3.12Å; R206-S208 VanDerWaalsContact C-N 3.32Å; R206-S208 PolarHBondContact O-N 3.27Å; R206-Y209 WeakPolarHBondContact O-CB 3.25Å; R206-Y209 PolarHBondContact O-N 2.9Å; R206-Y209 VanDerWaalsContact O-N 3.16Å; R206-E210 PolarHBondContact O-N 3.2Å
207	E	88.8	Confident	80.8	Confident	114 Å²	114	114.5 Å²	114.5	53%	0.533	56%	0.557	S	S	.	*	H	α-helix	trans	-60.1	-42.4	178.1	-70.4	170.9	-169.3	0	0	111.6	N203 Y209 E210 V211	N203-E207 WeakPolarHBondContact O-CG 3.43Å; N203-E207 PolarHBondContact O-N 3.45Å; E207-Y209 VanDerWaalsContact C-N 3.28Å; E207-Y209 PolarHBondContact O-N 3.22Å; E207-E210 PolarHBondContact O-N 3.31Å; E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.29Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.32Å
208	S	82.9	Confident	79.1	Confident	63 Å²	63	115.2 Å²	115.2	44%	0.441	56%	0.558	S	S	.	*	H	α-helix	trans	-62.1	-36.2	177.8	-59.8	0	0	0	0	112.2	K204 N205 R206 S212	K204-S208 WeakPolarHBondContact O-CB 3.37Å; K204-S208 PolarHBondContact O-N 3.17Å; K204-S208 PolarHBondContact O-OG 3.22Å; N205-S208 PolarHBondContact O-N 3.48Å; R206-S208 VanDerWaalsContact C-N 3.32Å; R206-S208 PolarHBondContact O-N 3.27Å; S208-S212 VanDerWaalsContact O-CB 3.32Å; S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 2.91Å; S208-S212 VanDerWaalsContact O-N 3.09Å; S208-S212 PolarHBondContact O-OG 3.07Å
209	Y	80.8	Confident	77.8	Confident	161 Å²	161	112.7 Å²	112.7	63%	0.631	56%	0.563	S	S	*	*	H	α-helix	trans	-70.8	-43.9	175.6	-171.7	-97.1	0	0	0	111.8	N205 R206 E207 S212 L213	N205-Y209 PolarHBondContact O-N 3.14Å; N205-Y209 VanDerWaalsContact O-N 3.09Å; R206-Y209 WeakPolarHBondContact O-CB 3.25Å; R206-Y209 PolarHBondContact O-N 2.9Å; R206-Y209 VanDerWaalsContact O-N 3.16Å; E207-Y209 VanDerWaalsContact C-N 3.28Å; E207-Y209 PolarHBondContact O-N 3.22Å; Y209-S212 PolarHBondContact O-N 3.21Å; Y209-L213 HydrophobicContact CE1-CD2 4.39Å; Y209-L213 VanDerWaalsContact O-CB 3.27Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3.1Å
210	E	81.8	Confident	76.1	Confident	106 Å²	106	112.6 Å²	112.6	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-64.1	-40.9	177.9	-71.4	176.6	-173.5	0	0	112.1	R206 E207 L213 T214	R206-E210 PolarHBondContact O-N 3.2Å; E207-E210 PolarHBondContact O-N 3.31Å; E210-L213 PolarHBondContact O-N 3.47Å; E210-T214 WeakPolarHBondContact O-CB 3.35Å; E210-T214 WeakPolarHBondContact O-CG2 3.2Å; E210-T214 PolarHBondContact O-N 3.09Å; E210-T214 PolarHBondContact O-OG1 2.96Å
211	V	81.3	Confident	74	Confident	91 Å²	91	112.8 Å²	112.8	55%	0.552	58%	0.582	S	S	*	*	H	α-helix	trans	-65.5	-43.5	174.7	173.1	0	0	0	0	111.1	E207 L213 T214 Q215	E207-V211 WeakPolarHBondContact O-CB 3.4Å; E207-V211 VanDerWaalsContact O-CG2 3.29Å; E207-V211 WeakPolarHBondContact O-CG2 3.49Å; E207-V211 PolarHBondContact O-N 3.32Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 2.96Å; V211-T214 WeakPolarHBondContact CA-OG1 3.36Å; V211-T214 PolarHBondContact O-N 2.99Å; V211-T214 PolarHBondContact O-OG1 3.42Å; V211-Q215 WeakPolarHBondContact O-CB 3.42Å; V211-Q215 PolarHBondContact O-N 3.49Å
212	S	76.9	Confident	71.9	Confident	67 Å²	67	118.8 Å²	118.8	47%	0.469	60%	0.598	S	S	.	*	H	α-helix	trans	-67.2	-32.5	178.5	-60.4	0	0	0	0	112.4	S208 Y209 K216	S208-S212 VanDerWaalsContact O-CB 3.32Å; S208-S212 WeakPolarHBondContact O-CB 3.4Å; S208-S212 PolarHBondContact O-N 2.91Å; S208-S212 VanDerWaalsContact O-N 3.09Å; S208-S212 PolarHBondContact O-OG 3.07Å; Y209-S212 PolarHBondContact O-N 3.21Å; S212-K216 PolarHBondContact O-N 3.07Å
213	L	79.4	Confident	69.5	Low	86 Å²	86	118.2 Å²	118.2	45%	0.45	61%	0.611	S	S	.	*	H	α-helix	trans	-72.6	-47.7	177.4	-170.6	67.6	0	0	0	111.1	Y209 E210 V211 Q215 K216 T217	Y209-L213 HydrophobicContact CE1-CD2 4.39Å; Y209-L213 VanDerWaalsContact O-CB 3.27Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3.1Å; E210-L213 PolarHBondContact O-N 3.47Å; V211-L213 VanDerWaalsContact C-N 3.29Å; V211-L213 PolarHBondContact O-N 2.96Å; L213-Q215 VanDerWaalsContact C-N 3.28Å; L213-Q215 PolarHBondContact O-N 2.9Å; L213-K216 PolarHBondContact O-N 3.15Å; L213-T217 PolarHBondContact O-N 3.22Å; L213-T217 PolarHBondContact O-OG1 3.37Å; L213-T217 VanDerWaalsContact O-OG1 3.06Å
214	T	65.9	Low	66.7	Low	88 Å²	88	122.8 Å²	122.8	54%	0.54	63%	0.633	S	S	.	*	H	α-helix	trans	-60.5	-37.9	177.3	49.2	0	0	0	0	112.2	E210 V211 K216 T217 D218	E210-T214 WeakPolarHBondContact O-CB 3.35Å; E210-T214 WeakPolarHBondContact O-CG2 3.2Å; E210-T214 PolarHBondContact O-N 3.09Å; E210-T214 PolarHBondContact O-OG1 2.96Å; V211-T214 WeakPolarHBondContact CA-OG1 3.36Å; V211-T214 PolarHBondContact O-N 2.99Å; V211-T214 PolarHBondContact O-OG1 3.42Å; T214-K216 VanDerWaalsContact C-N 3.32Å; T214-K216 PolarHBondContact O-N 3.24Å; T214-T217 WeakPolarHBondContact CA-OG1 3.28Å; T214-T217 PolarHBondContact O-N 3.39Å; T214-T217 PolarHBondContact O-OG1 3.26Å; T214-D218 PolarHBondContact O-N 3.26Å
215	Q	62.3	Low	64.6	Low	157 Å²	157	123.7 Å²	123.7	73%	0.734	64%	0.639	S	S	*	*	H	α-helix	trans	-71.1	-25.4	176.2	-150.9	176.5	34.5	0	0	113.2	V211 L213	V211-Q215 WeakPolarHBondContact O-CB 3.42Å; V211-Q215 PolarHBondContact O-N 3.49Å; L213-Q215 VanDerWaalsContact C-N 3.28Å; L213-Q215 PolarHBondContact O-N 2.9Å
216	K	62.1	Low	62.6	Low	175 Å²	175	126.1 Å²	126.1	76%	0.761	65%	0.646	S	S	*	*	H	α-helix	trans	-82.8	-28.6	172.4	-92.1	179	173.4	176.1	0	113.3	S212 L213 T214 D218	S212-K216 PolarHBondContact O-N 3.07Å; L213-K216 PolarHBondContact O-N 3.15Å; T214-K216 VanDerWaalsContact C-N 3.32Å; T214-K216 PolarHBondContact O-N 3.24Å; K216-D218 VanDerWaalsContact C-N 3.33Å
217	T	55.1	Low	60.1	Low	106 Å²	106	130.1 Å²	130.1	65%	0.65	66%	0.661	S	S	*	*	S	Bend	trans	-84.4	-1.2	-179.6	50	0	0	0	0	114.3	L213 T214	L213-T217 PolarHBondContact O-N 3.22Å; L213-T217 PolarHBondContact O-OG1 3.37Å; L213-T217 VanDerWaalsContact O-OG1 3.06Å; T214-T217 WeakPolarHBondContact CA-OG1 3.28Å; T214-T217 PolarHBondContact O-N 3.39Å; T214-T217 PolarHBondContact O-OG1 3.26Å
218	D	50	Low	58	Low	94 Å²	94	130.7 Å²	130.7	50%	0.503	67%	0.672	S	S	.	*			trans	-135.3	79.4	175.2	-154.3	-16.4	0	0	0	114.4	T214 K216 S220 V221	T214-D218 PolarHBondContact O-N 3.26Å; K216-D218 VanDerWaalsContact C-N 3.33Å; D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact OD1-N 3.46Å; D218-V221 PolarHBondContact OD1-N 2.87Å
219	P	51.2	Low	56.1	Low	124 Å²	124	133.3 Å²	133.3	81%	0.805	69%	0.687	S	S	*	*	S	Bend	trans	-93.2	22.5	159.8	36	-30.8	0	0	0	112.1
220	S	50.2	Low	54.5	Low	101 Å²	101	135.3 Å²	135.3	71%	0.706	70%	0.7	S	S	*	*			trans	-145.9	50.3	-171.8	-172.3	0	0	0	0	114.7	D218	D218-S220 VanDerWaalsContact C-N 3.31Å; D218-S220 PolarHBondContact OD1-N 3.46Å
221	V	42.7	Very low	53.2	Low	112 Å²	112	138.5 Å²	138.5	68%	0.679	71%	0.712	S	S	*	*			trans	-136.1	95.3	151.7	-170.9	0	0	0	0	109.5	D218	D218-V221 PolarHBondContact OD1-N 2.87Å
222	R	43.6	Very low	52.2	Low	229 Å²	229	143.4 Å²	143.4	86%	0.864	73%	0.729	S	S	*	*			trans	-55.5	135.2	156.3	-69.3	177.7	-179.7	176.5	0.4	107.3	M224	R222-M224 PolarHBondContact O-N 3.24Å
223	P	37.5	Very low	51.6	Low	123 Å²	123	143.4 Å²	143.4	80%	0.799	73%	0.726	S	S	*	*			trans	-68.1	102	166.9	17.7	-14.3	0	0	0	107.8	H225	P223-H225 PolarHBondContact O-N 3.01Å
224	M	35.9	Very low	51.2	Low	179 Å²	179	147.2 Å²	147.2	88%	0.882	74%	0.739	S	S	*	*			trans	-62.8	89.1	167.2	-175.2	163.8	105.3	0	0	107.2	R222 E226	R222-M224 PolarHBondContact O-N 3.24Å; M224-E226 PolarHBondContact O-N 2.93Å; M224-E226 VanDerWaalsContact O-N 3.08Å
225	H	44.4	Very low	51.9	Low	163 Å²	163	147.8 Å²	147.8	76%	0.755	74%	0.742	S	S	*	*			trans	-75.6	100.6	169	-138.4	-56.3	0	0	0	107.1	P223 R227	P223-H225 PolarHBondContact O-N 3.01Å; H225-R227 PolarHBondContact O-N 2.84Å; H225-R227 VanDerWaalsContact O-N 3.08Å
226	E	47.8	Very low	52.8	Low	169 Å²	169	142.3 Å²	142.3	79%	0.79	72%	0.717	S	S	*	*			trans	-44.2	112.8	163.1	-170	162.5	175.6	0	0	109.4	M224	M224-E226 PolarHBondContact O-N 2.93Å; M224-E226 VanDerWaalsContact O-N 3.08Å
227	R	41.4	Very low	53.5	Low	225 Å²	225	143.2 Å²	143.2	85%	0.849	72%	0.722	S	S	*	*			trans	-128.1	102.6	172.7	-79.1	-81.8	-149.9	173.3	5.7	106	H225	H225-R227 PolarHBondContact O-N 2.84Å; H225-R227 VanDerWaalsContact O-N 3.08Å
228	V	44.8	Very low	54.4	Low	125 Å²	125	147.2 Å²	147.2	76%	0.758	73%	0.726	S	S	*	*			trans	-29.8	131.2	165.3	-178.3	0	0	0	0	111.6	K230	V228-K230 PolarHBondContact O-N 3.08Å
229	P	43.7	Very low	55.7	Low	118 Å²	118	145.3 Å²	145.3	77%	0.766	73%	0.728	S	S	*	*			trans	-63.2	120.7	175.9	25.2	-31.1	0	0	0	109.3	K231	P229-K231 PolarHBondContact O-N 3.1Å
230	K	47	Very low	57.2	Low	204 Å²	204	143.7 Å²	143.7	89%	0.887	71%	0.713	S	S	*	*			trans	-65	115.1	168.1	-79.3	-179.8	174.9	-179	0	107.7	V228 E232	V228-K230 PolarHBondContact O-N 3.08Å; K230-E232 PolarHBondContact O-N 3.02Å
231	K	53.9	Low	58.9	Low	172 Å²	172	143.3 Å²	143.3	75%	0.748	71%	0.707	S	S	*	*			trans	-61.5	122.2	161.3	-75.2	-175.2	174.3	-172	0	107.7	P229 V233	P229-K231 PolarHBondContact O-N 3.1Å; K231-V233 PolarHBondContact O-N 3.23Å
232	E	59.5	Low	60.4	Low	194 Å²	194	145 Å²	145	91%	0.907	70%	0.701	S	S	*	*			trans	-70.8	104.7	168.7	-70.5	-172.6	166.3	0	0	108	K230	K230-E232 PolarHBondContact O-N 3.02Å
233	V	65.2	Low	61.7	Low	67 Å²	67	140 Å²	140	41%	0.406	69%	0.691	S	S	.	*	P	Polyproline II helix	trans	-86.2	122.4	174.1	-176.9	0	0	0	0	108	K231 T241	K231-V233 PolarHBondContact O-N 3.23Å; V233-T241 HydrophobicContact CG1-CG2 3.64Å
234	K	70.6	Confident	62.5	Low	166 Å²	166	146.3 Å²	146.3	72%	0.722	71%	0.71	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72	130.4	173.6	-83.2	174.1	-178.1	163.8	0	109.2
235	V	81.3	Confident	63.9	Low	100 Å²	100	144.7 Å²	144.7	61%	0.606	70%	0.702	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.5	135.8	173.6	-72.3	0	0	0	0	110	T241	V235-T241 HydrophobicContact CG1-CG2 3.68Å
236	N	81.1	Confident	64.9	Low	42 Å²	42	143.7 Å²	143.7	23%	0.225	70%	0.699	C	S	.	*			trans	-79.6	174.1	172.6	76.4	5.4	0	0	0	111.1	Y238 G239 D240 W242	N236-Y238 PolarHBondContact O-N 3.15Å; N236-Y238 VanDerWaalsContact OD1-C 3.26Å; N236-Y238 VanDerWaalsContact OD1-CA 3.3Å; N236-Y238 WeakPolarHBondContact OD1-CA 3.27Å; N236-Y238 PolarHBondContact OD1-N 3.41Å; N236-G239 PolarHBondContact O-N 3.42Å; N236-G239 VanDerWaalsContact O-N 3.11Å; N236-G239 PolarHBondContact OD1-N 3.26Å; N236-D240 PolarHBondContact N-O 3.44Å; N236-D240 PolarHBondContact OD1-N 3.26Å; N236-W242 HydrophobicContact CB-CH2 4.15Å; N236-W242 HydrophobicContact CB-CZ2 3.57Å; N236-W242 WeakPolarHBondContact ND2-CH2 3.31Å; N236-W242 WeakPolarHBondContact ND2-CZ2 3.46Å
237	K	77.6	Confident	65.9	Low	195 Å²	195	142.3 Å²	142.3	85%	0.848	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.1	-18.3	177.5	-173.3	179	177.3	-173.5	0	114
238	Y	73.4	Confident	67.3	Low	189 Å²	189	137.4 Å²	137.4	74%	0.741	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	1.1	-176.7	-60.1	-79	0	0	0	113.3	N236	N236-Y238 PolarHBondContact O-N 3.15Å; N236-Y238 VanDerWaalsContact OD1-C 3.26Å; N236-Y238 VanDerWaalsContact OD1-CA 3.3Å; N236-Y238 WeakPolarHBondContact OD1-CA 3.27Å; N236-Y238 PolarHBondContact OD1-N 3.41Å
239	G	76.5	Confident	68.7	Low	54 Å²	54	138.2 Å²	138.2	56%	0.557	68%	0.68	S	S	*	*			trans	86.1	4.9	175.3	0	0	0	0	0	115.3	N236	N236-G239 PolarHBondContact O-N 3.42Å; N236-G239 VanDerWaalsContact O-N 3.11Å; N236-G239 PolarHBondContact OD1-N 3.26Å
240	D	83.6	Confident	70.4	Confident	90 Å²	90	139.5 Å²	139.5	48%	0.481	67%	0.674	S	S	.	*			trans	-80	143.3	176	-64.9	-37.1	0	0	0	110.9	N236 W242	N236-D240 PolarHBondContact N-O 3.44Å; N236-D240 PolarHBondContact OD1-N 3.26Å; D240-W242 HydrophobicContact CB-CE3 3.86Å; D240-W242 HydrophobicContact CB-CH2 4.08Å; D240-W242 HydrophobicContact CB-CZ3 3.43Å; D240-W242 VanDerWaalsContact CB-CZ3 3.43Å
241	T	84.7	Confident	72	Confident	94 Å²	94	134.9 Å²	134.9	58%	0.577	66%	0.659	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	137.9	179.3	45.2	0	0	0	0	110	V233 V235	V233-T241 HydrophobicContact CG1-CG2 3.64Å; V235-T241 HydrophobicContact CG1-CG2 3.68Å
242	W	74.6	Confident	73.4	Confident	148 Å²	148	132.1 Å²	132.1	56%	0.561	65%	0.652	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-145.5	144	172.4	27.5	77.6	0	0	0	111.5	N236 D240	N236-W242 HydrophobicContact CB-CH2 4.15Å; N236-W242 HydrophobicContact CB-CZ2 3.57Å; N236-W242 WeakPolarHBondContact ND2-CH2 3.31Å; N236-W242 WeakPolarHBondContact ND2-CZ2 3.46Å; D240-W242 HydrophobicContact CB-CE3 3.86Å; D240-W242 HydrophobicContact CB-CH2 4.08Å; D240-W242 HydrophobicContact CB-CZ3 3.43Å; D240-W242 VanDerWaalsContact CB-CZ3 3.43Å
243	D	71.5	Confident	74.6	Confident	123 Å²	123	126.9 Å²	126.9	66%	0.658	63%	0.631	S	S	*	*			trans	-91.8	145.4	172.8	-66.5	-55.4	0	0	0	109.4
244	E	55.2	Low	75.5	Confident	255 Å²	255	132.4 Å²	132.4	100%	1.192	65%	0.651	S	S	*	*			trans	-85.2	0	175.3	-156.1	168.6	-158.1	0	0	111.4

Retrieved 244 of 244 residues in 117.4 ms (Link to these results)

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