A0A096LXA6_POEFO Loading...

Integrator complex subunit 4

AlphaFold DB , UniProt , Accession A0A096LXA6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 984 aa.

						>A0A096LXA6_POEFO|A0A096LXA6
MAAHLKKRVYEEFSKVVQIPHEEAPAKKLRLSKPSKSAALHIDLCKAASATDALQYLLEFARKPVEAESVEGVIRILLEHYYKETDNSVRLRIASLLGLLSKTNGFSPDCVVDDVINTLGNEKSHQVLAQLMDSLLVIGGQLPESPAVRRRLVQVACKLLSDTNFGVRNKCLQLLGFLGTVETPLTKDGEGPSSSLGPKHPTVHPTEHPTVHKTEHPTEHPTVHKTEAALKAMLQLHERGMKIHQIIYEQACRLLSDDYEQVRSAAVQMVWVLSQLYPESIVPIPSSNEEIRLVDDAFGKISHMVSDGSWMVRVQAAKTLGSMLQVSPHFLEQTLDKKLMSDLRRKRTAHERAKELFASGEFSSGRKWADDAPKEKLDTNTVNLIASGACGAFVHGLEDEMFEVRIAAVEALCQLARSSPSFAEKCLDFLVDMFNDEIEEVRLQSIHVLREISTHITLREDQLDTVLAVLEDSSRDIREALHELLCYTNVSTKECIQLALLELLKNLNKYPTDRNSVWKCLKFLGSRHPTLVLPLVPELLSTHPYFDTPEPDMDDPAYIAVLVLVFNAAKSCPTMPALFSDHTFRHYAYLRDSLSHLVPPLRLPGRKQVYSLDSVDSGCGSGSVESAKLFLQQSLNRVSTIQNLETPGAQDLLNFTIRDLQRLGELQTELAGAADFCATFLRCQLLLMKALQEKLWNMAVPLCPKQNVTATAAAQQILEETYKLEFLYSGLESRQVATIHHVRLQAKTLQLVLTARTRPGLDLPIGSCEKFLQEIESFQRMFLTELPHLQDSFVDKLLEIMPRLLSCKPLELVKILQTTLRQSGLLQLRLPEQIHRATATIIEPTGESDNPLRFTSGLVVALDIDATLEHVQDPQDKVKVQVLYPDGQSHVIHPKPADFRKPGPTRHRLITQVYLSHTAWTEPSQVEVRLLLAYSSSSSSPSSSNKSGWSDSIDGLPPAEAAVEGTIPFSKPVKVFIMPKPARR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	53	Low	44.9	Very low	211 Å²	211	144.8 Å²	144.8	100%	1.039	72%	0.717	S	S	*	*				0	-29.2	0	-119.5	-179.3	-86	0	0	114.4	A3	M1-A3 PolarHBondContact O-N 3.1Å
2	A	47.5	Very low	44.4	Very low	88 Å²	88	146.8 Å²	146.8	73%	0.727	72%	0.723	S	S	*	*	H	α-helix	trans	-74.3	-16.7	173.1	0	0	0	0	0	115.4
3	A	46.3	Very low	43.7	Very low	83 Å²	83	150.7 Å²	150.7	69%	0.686	73%	0.734	S	S	*	*	H	α-helix	trans	-86.4	-20.5	177.4	0	0	0	0	0	114.2	M1	M1-A3 PolarHBondContact O-N 3.1Å
4	H	44.2	Very low	43.2	Very low	149 Å²	149	146.5 Å²	146.5	69%	0.69	73%	0.728	S	S	*	*	H	α-helix	trans	-86.6	-16.7	177.9	-106.6	-78.9	0	0	0	113.4
5	L	43.8	Very low	43	Very low	121 Å²	121	149.7 Å²	149.7	63%	0.634	74%	0.735	S	S	*	*	H	α-helix	trans	-82.1	-26.2	174.8	-87.5	154.1	0	0	0	113	V9	L5-V9 WeakPolarHBondContact O-CG2 3.04Å
6	K	44.2	Very low	42.4	Very low	169 Å²	169	148.9 Å²	148.9	74%	0.735	74%	0.742	S	S	*	*	H	α-helix	trans	-75.3	-20.5	175.9	-98.1	-175.9	173.9	-177.6	0	114.3
7	K	45.1	Very low	41.9	Very low	151 Å²	151	147.1 Å²	147.1	66%	0.657	74%	0.74	S	S	*	*	H	α-helix	trans	-87.3	-27.4	-179.7	-142.7	178.6	-177.7	-174.7	0	113.4
8	R	42.8	Very low	41.4	Very low	184 Å²	184	150.1 Å²	150.1	69%	0.694	75%	0.751	S	S	*	*	H	α-helix	trans	-73.8	-33.9	173.2	-92.5	-176.6	-154.4	172.3	6.8	113.6	Y10 E11 E12	R8-Y10 PolarHBondContact O-N 3.49Å; R8-E11 PolarHBondContact O-N 3.01Å; R8-E12 PolarHBondContact O-N 3.01Å
9	V	43.2	Very low	40.9	Very low	97 Å²	97	149.5 Å²	149.5	59%	0.588	75%	0.749	S	S	*	*	H	α-helix	trans	-70.1	-22	176.9	179	0	0	0	0	112	L5	L5-V9 WeakPolarHBondContact O-CG2 3.04Å
10	Y	42.2	Very low	40.4	Very low	198 Å²	198	148.3 Å²	148.3	78%	0.776	75%	0.752	S	S	*	*	H	α-helix	trans	-86.1	-16.4	177.3	-110.3	-86.6	0	0	0	114.4	R8	R8-Y10 PolarHBondContact O-N 3.49Å
11	E	41.5	Very low	39.9	Very low	142 Å²	142	149.9 Å²	149.9	66%	0.664	76%	0.757	S	S	*	*	H	α-helix	trans	-96	-19.5	178.5	-78.8	176	173.6	0	0	113.3	R8	R8-E11 PolarHBondContact O-N 3.01Å
12	E	39.7	Very low	38.9	Very low	169 Å²	169	148.9 Å²	148.9	79%	0.79	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-11	179.1	-81	-177.3	162.7	0	0	115	R8	R8-E12 PolarHBondContact O-N 3.01Å
13	F	35.2	Very low	38.1	Very low	197 Å²	197	153.9 Å²	153.9	86%	0.864	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	6	173.9	-93.2	-83.6	0	0	0	114.5
14	S	36.6	Very low	37.3	Very low	92 Å²	92	153.8 Å²	153.8	64%	0.643	76%	0.757	S	S	*	*	S	Bend	trans	-107.4	20.6	-173.3	-176	0	0	0	0	115.2
15	K	39.5	Very low	36.7	Very low	194 Å²	194	152.7 Å²	152.7	84%	0.843	76%	0.763	S	S	*	*			trans	-137.3	85.5	173.9	-73.4	-173.1	-179.7	177.5	0	112.4
16	V	34.6	Very low	36	Very low	138 Å²	138	151.3 Å²	151.3	84%	0.836	77%	0.769	S	S	*	*			trans	-133.9	100.1	154.2	-176.2	0	0	0	0	109.2
17	V	33.2	Very low	35.5	Very low	117 Å²	117	152.8 Å²	152.8	71%	0.709	78%	0.775	S	S	*	*			trans	33	107.2	140.3	-172	0	0	0	0	117.8	I19	V17-I19 HydrophobicContact CG1-CD1 4.06Å; V17-I19 HydrophobicContact CG1-CG1 3.9Å
18	Q	33.1	Very low	34.9	Very low	201 Å²	201	154.4 Å²	154.4	94%	0.939	78%	0.782	S	S	*	*			trans	-74.5	119.1	156.2	-75.6	173.5	-28.6	0	0	110
19	I	31.9	Very low	34.3	Very low	140 Å²	140	153.5 Å²	153.5	72%	0.718	79%	0.79	S	S	*	*			trans	-133.8	131.6	154.4	-65	174.9	0	0	0	105.6	V17	V17-I19 HydrophobicContact CG1-CD1 4.06Å; V17-I19 HydrophobicContact CG1-CG1 3.9Å
20	P	31.5	Very low	34.2	Very low	125 Å²	125	157.3 Å²	157.3	81%	0.812	79%	0.794	S	S	*	*			trans	-80.7	130.9	-160.7	32.2	-33.1	0	0	0	111.4
21	H	29	Very low	33.8	Very low	182 Å²	182	156.1 Å²	156.1	84%	0.843	80%	0.8	S	S	*	*			trans	-109.1	122.4	166.5	-122.3	-71.5	0	0	0	108.9	E23	H21-E23 PolarHBondContact O-N 3.03Å
22	E	31.8	Very low	33.7	Very low	190 Å²	190	152.9 Å²	152.9	89%	0.888	79%	0.793	S	S	*	*			trans	-50.1	115.8	171.2	-72.3	172.8	130.6	0	0	110.6	A24	E22-A24 PolarHBondContact O-N 3.2Å
23	E	30.4	Very low	33.5	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	80%	0.796	S	S	*	*			trans	-77.6	102.1	167.5	-78.4	-172.7	161.8	0	0	109.1	H21	H21-E23 PolarHBondContact O-N 3.03Å
24	A	30.3	Very low	33.5	Very low	81 Å²	81	150.2 Å²	150.2	67%	0.669	79%	0.791	S	S	*	*			trans	-49.9	143.9	160.2	0	0	0	0	0	110.3	E22 A26	E22-A24 PolarHBondContact O-N 3.2Å; A24-A26 PolarHBondContact O-N 3.41Å
25	P	30.8	Very low	33.8	Very low	126 Å²	126	148.3 Å²	148.3	82%	0.818	78%	0.777	S	S	*	*			trans	-59.5	118.8	-177.9	23.6	-32.2	0	0	0	110	K27	P25-K27 PolarHBondContact O-N 2.89Å
26	A	30.1	Very low	34.2	Very low	92 Å²	92	148.8 Å²	148.8	76%	0.76	78%	0.779	S	S	*	*			trans	-56.6	113.5	179.2	0	0	0	0	0	109.9	A24 K28	A24-A26 PolarHBondContact O-N 3.41Å; A26-K28 PolarHBondContact O-N 3.42Å
27	K	32.7	Very low	35.3	Very low	200 Å²	200	143.7 Å²	143.7	87%	0.87	75%	0.749	S	S	*	*			trans	-59.8	106.3	164.3	-75.9	-178.8	177.8	178.9	0	107.2	P25 L29	P25-K27 PolarHBondContact O-N 2.89Å; K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.42Å
28	K	32.1	Very low	36.5	Very low	185 Å²	185	138.4 Å²	138.4	80%	0.804	72%	0.718	S	S	*	*			trans	-62	96.5	167.1	-77.5	-178.6	177.7	176.8	0	107.9	A26 R30	A26-K28 PolarHBondContact O-N 3.42Å; K28-R30 VanDerWaalsContact C-N 3.33Å; K28-R30 PolarHBondContact O-N 3.41Å
29	L	30.6	Very low	37.7	Very low	164 Å²	164	132.1 Å²	132.1	86%	0.859	70%	0.701	S	S	*	*			trans	-64.3	95.9	164.9	-91	154.2	0	0	0	107.8	K27 L31	K27-L29 VanDerWaalsContact C-N 3.33Å; K27-L29 PolarHBondContact O-N 3.42Å; L29-L31 PolarHBondContact O-N 2.96Å
30	R	40.6	Very low	39	Very low	178 Å²	178	132.7 Å²	132.7	67%	0.672	70%	0.704	S	S	*	*			trans	-76.5	100.9	170.4	-76.1	-174.9	175.5	177.7	0.7	108.3	K28 S32	K28-R30 VanDerWaalsContact C-N 3.33Å; K28-R30 PolarHBondContact O-N 3.41Å; R30-S32 VanDerWaalsContact C-N 3.33Å; R30-S32 PolarHBondContact O-N 3.15Å; R30-S32 VanDerWaalsContact O-N 3.16Å
31	L	34.4	Very low	40.4	Very low	173 Å²	173	129 Å²	129	91%	0.906	68%	0.676	S	S	*	*			trans	-77.7	83.6	164.6	-90.8	147.2	0	0	0	108.7	L29	L29-L31 PolarHBondContact O-N 2.96Å
32	S	39	Very low	42.5	Very low	74 Å²	74	120.8 Å²	120.8	52%	0.517	64%	0.638	S	S	.	*			trans	-76.1	128.6	162.2	57.7	0	0	0	0	108.4	R30	R30-S32 VanDerWaalsContact C-N 3.33Å; R30-S32 PolarHBondContact O-N 3.15Å; R30-S32 VanDerWaalsContact O-N 3.16Å
33	K	35.9	Very low	44.5	Very low	195 Å²	195	114.8 Å²	114.8	85%	0.848	61%	0.612	S	S	*	*			trans	-51.6	134	167.1	-75.3	176.9	177.5	174.4	0	108.3	S35	K33-S35 PolarHBondContact O-N 3.12Å
34	P	35.9	Very low	46.7	Very low	115 Å²	115	105.9 Å²	105.9	75%	0.747	57%	0.571	S	S	*	*			trans	-65.1	113	176.6	25.5	-30.7	0	0	0	108.3	K36	P34-K36 PolarHBondContact O-N 2.78Å
35	S	42.3	Very low	48.5	Very low	51 Å²	51	107.9 Å²	107.9	36%	0.357	58%	0.579	S	S	.	*			trans	-64.9	118.2	171.1	61.4	0	0	0	0	107.6	K33 S37	K33-S35 PolarHBondContact O-N 3.12Å; S35-S37 PolarHBondContact O-N 3.33Å; S35-S37 VanDerWaalsContact O-N 3.11Å
36	K	47	Very low	50.3	Low	205 Å²	205	108.8 Å²	108.8	89%	0.891	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	5.7	173.6	-75	-176.6	174.7	-179.1	0	112.4	P34	P34-K36 PolarHBondContact O-N 2.78Å
37	S	59.3	Low	52.5	Low	30 Å²	30	105.7 Å²	105.7	21%	0.21	54%	0.544	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-28.4	-172.7	55.2	0	0	0	0	114.9	S35 A39 L40 H41 S69	S35-S37 PolarHBondContact O-N 3.33Å; S35-S37 VanDerWaalsContact O-N 3.11Å; S37-A39 PolarHBondContact O-N 3.3Å; S37-L40 WeakPolarHBondContact O-CB 3.4Å; S37-L40 PolarHBondContact O-N 3.11Å; S37-L40 VanDerWaalsContact O-N 3.07Å; S37-H41 PolarHBondContact O-CD2 3.18Å; S37-S69 VanDerWaalsContact CB-OG 3.3Å; S37-S69 WeakPolarHBondContact CB-OG 3.45Å; S37-S69 PolarHBondContact OG-OG 3.49Å
38	A	58	Low	54.6	Low	6 Å²	6	100.8 Å²	100.8	5%	0.05	54%	0.541	C	S	.	.	H	α-helix	trans	-62.9	-38.2	-171.5	0	0	0	0	0	114.2	L40 H41 V73 I76	A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 3.09Å; A38-H41 PolarHBondContact O-N 3.21Å; A38-V73 HydrophobicContact CB-CG2 4.08Å; A38-I76 HydrophobicContact CB-CD1 4Å
39	A	57.2	Low	57.1	Low	70 Å²	70	94.1 Å²	94.1	58%	0.579	52%	0.518	S	S	*	.	H	α-helix	trans	-73.4	-15	177.9	0	0	0	0	0	113.9	S37 H41	S37-A39 PolarHBondContact O-N 3.3Å; A39-H41 VanDerWaalsContact C-N 3.32Å
40	L	60.5	Low	59.7	Low	151 Å²	151	87.8 Å²	87.8	79%	0.791	49%	0.489	S	S	*	.	H	α-helix	trans	-76.4	-24.8	172.1	-68.6	168	0	0	0	111.6	S37 A38	S37-L40 WeakPolarHBondContact O-CB 3.4Å; S37-L40 PolarHBondContact O-N 3.11Å; S37-L40 VanDerWaalsContact O-N 3.07Å; A38-L40 VanDerWaalsContact C-N 3.27Å; A38-L40 PolarHBondContact O-N 3.09Å
41	H	60.5	Low	61.8	Low	47 Å²	47	84.2 Å²	84.2	22%	0.218	49%	0.487	C	S	.	.	H	α-helix	trans	-82.7	-39.1	-177.8	-73	-71.8	0	0	0	112.6	S37 A38 A39 F60 V73	S37-H41 PolarHBondContact O-CD2 3.18Å; A38-H41 PolarHBondContact O-N 3.21Å; A39-H41 VanDerWaalsContact C-N 3.32Å; H41-F60 HydrophobicContact CB-CE2 4.03Å; H41-F60 WeakPolarHBondContact O-CD2 3.28Å; H41-V73 HydrophobicContact CB-CG2 3.98Å
42	I	73	Confident	64.3	Low	10 Å²	10	78.8 Å²	78.8	5%	0.051	46%	0.459	C	S	.	.			trans	-149.6	130.8	178.8	-156.8	176.2	0	0	0	111.9	L44 L57 F60 V73 I76 L77	I42-L44 HydrophobicContact CD1-CD1 4.06Å; I42-L44 HydrophobicContact CD1-CD2 3.89Å; I42-L44 HydrophobicContact CD1-CG 3.94Å; I42-L44 HydrophobicContact CG1-CD2 4.11Å; I42-L44 HydrophobicContact CG1-CG 4.01Å; I42-L57 HydrophobicContact CD1-CD2 3.64Å; I42-F60 HydrophobicContact CB-CD2 4.09Å; I42-F60 HydrophobicContact CB-CE2 4.41Å; I42-F60 HydrophobicContact CB-CG 4.36Å; I42-F60 HydrophobicContact CD1-CB 3.99Å; I42-F60 HydrophobicContact CD1-CD1 3.88Å; I42-F60 HydrophobicContact CD1-CD2 4.39Å; I42-F60 HydrophobicContact CD1-CG 3.79Å; I42-F60 HydrophobicContact CG1-CB 4.34Å; I42-F60 HydrophobicContact CG1-CD2 4.41Å; I42-F60 HydrophobicContact CG1-CG 4.22Å; I42-V73 HydrophobicContact CG2-CG1 4.12Å; I42-I76 HydrophobicContact CG2-CG2 4.1Å; I42-L77 HydrophobicContact CD1-CD2 3.79Å
43	D	74.9	Confident	66.6	Low	64 Å²	64	75.3 Å²	75.3	34%	0.342	44%	0.435	S	S	.	.			trans	-128.7	84.1	178.2	-175.5	5.7	0	0	0	110	C45 K46	D43-C45 PolarHBondContact O-N 3.09Å; D43-C45 WeakPolarHBondContact OD1-CB 3.31Å; D43-C45 PolarHBondContact OD1-N 3.27Å; D43-K46 WeakPolarHBondContact OD2-CD 3.49Å; D43-K46 WeakPolarHBondContact OD2-CE 3.38Å; D43-K46 IonicContact OD2-NZ 2.71Å; D43-K46 PolarHBondContact OD2-NZ 2.92Å
44	L	74.8	Confident	69	Low	6 Å²	6	68.2 Å²	68.2	3%	0.031	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-76.4	-10.4	-178.7	-63.6	170.6	0	0	0	112.9	I42 K46 A47 L57 L77 H80	I42-L44 HydrophobicContact CD1-CD1 4.06Å; I42-L44 HydrophobicContact CD1-CD2 3.89Å; I42-L44 HydrophobicContact CD1-CG 3.94Å; I42-L44 HydrophobicContact CG1-CD2 4.11Å; I42-L44 HydrophobicContact CG1-CG 4.01Å; L44-K46 PolarHBondContact O-N 2.91Å; L44-A47 PolarHBondContact O-N 3.43Å; L44-L57 HydrophobicContact CD1-CD2 4.09Å; L44-L57 HydrophobicContact CD2-CD2 4Å; L44-L57 HydrophobicContact CD2-CG 4Å; L44-L77 HydrophobicContact CD1-CD2 3.95Å; L44-H80 HydrophobicContact CB-CB 4.49Å; L44-H80 HydrophobicContact CD1-CB 3.84Å
45	C	69.1	Low	71.4	Confident	124 Å²	124	67.9 Å²	67.9	84%	0.838	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.5	176.9	-65.8	0	0	0	0	112.8	D43	D43-C45 PolarHBondContact O-N 3.09Å; D43-C45 WeakPolarHBondContact OD1-CB 3.31Å; D43-C45 PolarHBondContact OD1-N 3.27Å
46	K	67.8	Low	73.6	Confident	145 Å²	145	70.2 Å²	70.2	63%	0.63	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-85.6	-10	176.7	-72.2	177.2	176	133.9	0	114.1	D43 L44 A48	D43-K46 WeakPolarHBondContact OD2-CD 3.49Å; D43-K46 WeakPolarHBondContact OD2-CE 3.38Å; D43-K46 IonicContact OD2-NZ 2.71Å; D43-K46 PolarHBondContact OD2-NZ 2.92Å; L44-K46 PolarHBondContact O-N 2.91Å; K46-A48 PolarHBondContact O-N 3.48Å
47	A	77.1	Confident	75.6	Confident	26 Å²	26	60.5 Å²	60.5	22%	0.215	35%	0.354	C	S	.	.			trans	-72.6	119.9	178.6	0	0	0	0	0	110	L44 D52 A53 Y56	L44-A47 PolarHBondContact O-N 3.43Å; A47-D52 HydrophobicContact CB-CB 4.21Å; A47-A53 HydrophobicContact CB-CB 3.72Å; A47-Y56 HydrophobicContact CB-CD2 4.28Å; A47-Y56 HydrophobicContact CB-CE2 4.46Å
48	A	75.6	Confident	76.9	Confident	98 Å²	98	62.9 Å²	62.9	81%	0.81	36%	0.364	S	S	*	.	S	Bend	trans	-85.2	-19.5	176.7	0	0	0	0	0	112.2	K46	K46-A48 PolarHBondContact O-N 3.48Å
49	S	85.6	Confident	78.2	Confident	44 Å²	44	66.5 Å²	66.5	31%	0.308	38%	0.38	S	S	.	.	S	Bend	trans	-141.6	160.8	-179.2	68.3	0	0	0	0	111.9	T51 D52 A53	S49-T51 PolarHBondContact O-N 2.95Å; S49-T51 PolarHBondContact OG-OG1 3.5Å; S49-D52 PolarHBondContact N-OD2 3.45Å; S49-D52 PolarHBondContact O-N 3.38Å; S49-D52 VanDerWaalsContact O-N 3.14Å; S49-D52 PolarHBondContact OG-N 2.82Å; S49-D52 PolarHBondContact OG-OD1 2.88Å; S49-D52 PolarHBondContact OG-OD2 2.77Å; S49-A53 PolarHBondContact O-N 3.05Å
50	A	84.2	Confident	79.7	Confident	31 Å²	31	63.4 Å²	63.4	26%	0.256	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-32.5	174.9	0	0	0	0	0	112.4	A53 L54 D86 V89	A50-A53 PolarHBondContact O-N 2.96Å; A50-L54 WeakPolarHBondContact O-CB 3.32Å; A50-L54 PolarHBondContact O-N 3.41Å; A50-D86 HydrophobicContact CB-CB 3.68Å; A50-V89 HydrophobicContact CB-CG2 3.9Å; A50-V89 WeakPolarHBondContact O-CG2 3.3Å
51	T	86.5	Confident	80.8	Confident	103 Å²	103	57.3 Å²	57.3	63%	0.632	33%	0.325	S	S	*	.	H	α-helix	trans	-65.6	-41.7	174.2	39.5	0	0	0	0	112	S49 L54 Q55	S49-T51 PolarHBondContact O-N 2.95Å; S49-T51 PolarHBondContact OG-OG1 3.5Å; T51-L54 PolarHBondContact O-N 3.38Å; T51-Q55 PolarHBondContact O-N 3.02Å
52	D	86.6	Confident	82	Confident	60 Å²	60	65.7 Å²	65.7	32%	0.321	35%	0.354	S	S	.	.	H	α-helix	trans	-66.7	-42.8	176.5	-56.8	-31.5	0	0	0	110.6	A47 S49 L54 Q55 Y56	A47-D52 HydrophobicContact CB-CB 4.21Å; S49-D52 PolarHBondContact N-OD2 3.45Å; S49-D52 PolarHBondContact O-N 3.38Å; S49-D52 VanDerWaalsContact O-N 3.14Å; S49-D52 PolarHBondContact OG-N 2.82Å; S49-D52 PolarHBondContact OG-OD1 2.88Å; S49-D52 PolarHBondContact OG-OD2 2.77Å; D52-L54 VanDerWaalsContact C-N 3.33Å; D52-L54 PolarHBondContact O-N 2.89Å; D52-Q55 PolarHBondContact O-N 3.21Å; D52-Y56 HydrophobicContact CB-CE2 4.38Å; D52-Y56 WeakPolarHBondContact O-CD2 3.41Å; D52-Y56 PolarHBondContact O-N 3.4Å
53	A	86.1	Confident	82.4	Confident	1 Å²	1	71 Å²	71	1%	0.008	38%	0.377	C	S	.	.	H	α-helix	trans	-58.8	-45	176	0	0	0	0	0	111.4	A47 S49 A50 Q55 Y56 L57 V89	A47-A53 HydrophobicContact CB-CB 3.72Å; S49-A53 PolarHBondContact O-N 3.05Å; A50-A53 PolarHBondContact O-N 2.96Å; A53-Q55 PolarHBondContact O-N 2.92Å; A53-Y56 PolarHBondContact O-N 3.29Å; A53-L57 VanDerWaalsContact O-CG 3.24Å; A53-L57 WeakPolarHBondContact O-CG 3.5Å; A53-L57 PolarHBondContact O-N 3.12Å; A53-V89 HydrophobicContact CB-CG1 4.1Å; A53-V89 HydrophobicContact CB-CG2 4.32Å
54	L	87.9	Confident	82.6	Confident	46 Å²	46	73.4 Å²	73.4	24%	0.241	40%	0.396	C	S	.	.	H	α-helix	trans	-62.3	-42.3	177	-173.8	64.4	0	0	0	111.9	A50 T51 D52 L57 L58 V89 R92	A50-L54 WeakPolarHBondContact O-CB 3.32Å; A50-L54 PolarHBondContact O-N 3.41Å; T51-L54 PolarHBondContact O-N 3.38Å; D52-L54 VanDerWaalsContact C-N 3.33Å; D52-L54 PolarHBondContact O-N 2.89Å; L54-L57 PolarHBondContact O-N 3.29Å; L54-L58 HydrophobicContact CG-CD1 4.23Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.41Å; L54-V89 HydrophobicContact CB-CG2 4.28Å; L54-R92 HydrophobicContact CD1-CB 3.7Å; L54-R92 HydrophobicContact CD1-CG 3.99Å
55	Q	86.3	Confident	83	Confident	108 Å²	108	74 Å²	74	51%	0.505	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-45.9	177.3	-174.8	174.9	-13.7	0	0	111.5	T51 D52 A53 L57 L58 E59	T51-Q55 PolarHBondContact O-N 3.02Å; D52-Q55 PolarHBondContact O-N 3.21Å; A53-Q55 PolarHBondContact O-N 2.92Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.87Å; Q55-L58 PolarHBondContact O-N 3.22Å; Q55-L58 VanDerWaalsContact O-N 3.17Å; Q55-E59 PolarHBondContact NE2-OE1 2.91Å; Q55-E59 WeakPolarHBondContact O-CG 3.32Å; Q55-E59 PolarHBondContact O-N 3.4Å
56	Y	87.5	Confident	83.7	Confident	100 Å²	100	74.1 Å²	74.1	39%	0.392	39%	0.388	S	S	.	.	H	α-helix	trans	-59.3	-40.7	175	-74.1	-58.3	0	0	0	112.3	A47 D52 A53 E59 F60	A47-Y56 HydrophobicContact CB-CD2 4.28Å; A47-Y56 HydrophobicContact CB-CE2 4.46Å; D52-Y56 HydrophobicContact CB-CE2 4.38Å; D52-Y56 WeakPolarHBondContact O-CD2 3.41Å; D52-Y56 PolarHBondContact O-N 3.4Å; A53-Y56 PolarHBondContact O-N 3.29Å; Y56-E59 PolarHBondContact O-N 2.92Å; Y56-F60 WeakPolarHBondContact O-CB 3.42Å; Y56-F60 PolarHBondContact O-N 3.3Å
57	L	88.4	Confident	84.5	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.5	-35.4	176.9	-68.3	165.7	0	0	0	112.7	I42 L44 A53 L54 Q55 A61 L77 V89 R92 I93 L96	I42-L57 HydrophobicContact CD1-CD2 3.64Å; L44-L57 HydrophobicContact CD1-CD2 4.09Å; L44-L57 HydrophobicContact CD2-CD2 4Å; L44-L57 HydrophobicContact CD2-CG 4Å; A53-L57 VanDerWaalsContact O-CG 3.24Å; A53-L57 WeakPolarHBondContact O-CG 3.5Å; A53-L57 PolarHBondContact O-N 3.12Å; L54-L57 PolarHBondContact O-N 3.29Å; Q55-L57 VanDerWaalsContact C-N 3.3Å; Q55-L57 PolarHBondContact O-N 2.87Å; L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.24Å; L57-A61 VanDerWaalsContact O-N 3.08Å; L57-L77 HydrophobicContact CD2-CD2 3.6Å; L57-V89 HydrophobicContact CD1-CG1 3.75Å; L57-R92 HydrophobicContact CB-CG 3.75Å; L57-R92 HydrophobicContact CD1-CB 4.3Å; L57-R92 HydrophobicContact CD1-CG 4.27Å; L57-I93 HydrophobicContact CD1-CD1 4.42Å; L57-I93 HydrophobicContact CD1-CG1 3.77Å; L57-I93 HydrophobicContact CD2-CG1 4.08Å; L57-L96 HydrophobicContact CB-CD1 4.13Å; L57-L96 HydrophobicContact CD2-CD1 3.53Å; L57-L96 HydrophobicContact CG-CD1 4.41Å
58	L	87	Confident	84.7	Confident	80 Å²	80	75.7 Å²	75.7	42%	0.419	40%	0.398	S	S	.	.	H	α-helix	trans	-69.2	-42.3	176.1	-73.5	171.1	0	0	0	111.8	L54 Q55	L54-L58 HydrophobicContact CG-CD1 4.23Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.36Å; L54-L58 PolarHBondContact O-N 3.41Å; Q55-L58 PolarHBondContact O-N 3.22Å; Q55-L58 VanDerWaalsContact O-N 3.17Å
59	E	85.9	Confident	85.1	Confident	83 Å²	83	71 Å²	71	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-42.5	174.2	-72.6	179.1	-166	0	0	111.6	Q55 Y56 A61 R62	Q55-E59 PolarHBondContact NE2-OE1 2.91Å; Q55-E59 WeakPolarHBondContact O-CG 3.32Å; Q55-E59 PolarHBondContact O-N 3.4Å; Y56-E59 PolarHBondContact O-N 2.92Å; E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.41Å; E59-R62 PolarHBondContact O-N 3.2Å
60	F	88	Confident	85.1	Confident	5 Å²	5	69 Å²	69	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-41.6	177.1	171.4	-106.6	0	0	0	112.2	H41 I42 Y56 R62 K63 V65 V73 L96 L100	H41-F60 HydrophobicContact CB-CE2 4.03Å; H41-F60 WeakPolarHBondContact O-CD2 3.28Å; I42-F60 HydrophobicContact CB-CD2 4.09Å; I42-F60 HydrophobicContact CB-CE2 4.41Å; I42-F60 HydrophobicContact CB-CG 4.36Å; I42-F60 HydrophobicContact CD1-CB 3.99Å; I42-F60 HydrophobicContact CD1-CD1 3.88Å; I42-F60 HydrophobicContact CD1-CD2 4.39Å; I42-F60 HydrophobicContact CD1-CG 3.79Å; I42-F60 HydrophobicContact CG1-CB 4.34Å; I42-F60 HydrophobicContact CG1-CD2 4.41Å; I42-F60 HydrophobicContact CG1-CG 4.22Å; Y56-F60 WeakPolarHBondContact O-CB 3.42Å; Y56-F60 PolarHBondContact O-N 3.3Å; F60-R62 PolarHBondContact O-N 3.32Å; F60-K63 PolarHBondContact O-N 3.48Å; F60-V65 HydrophobicContact CE2-CG2 3.76Å; F60-V65 HydrophobicContact CZ-CG2 3.63Å; F60-V73 HydrophobicContact CE1-CG1 4.17Å; F60-V73 HydrophobicContact CE2-CG1 4.42Å; F60-V73 HydrophobicContact CZ-CG1 3.66Å; F60-L96 HydrophobicContact CD1-CD1 3.94Å; F60-L96 HydrophobicContact CD1-CD2 4.06Å; F60-L96 HydrophobicContact CE1-CD1 4.36Å; F60-L96 HydrophobicContact CE1-CD2 4.2Å; F60-L100 HydrophobicContact CE1-CD1 4.43Å; F60-L100 HydrophobicContact CE1-CD2 4.42Å; F60-L100 HydrophobicContact CZ-CD2 4.19Å
61	A	85.2	Confident	85.2	Confident	23 Å²	23	71.9 Å²	71.9	19%	0.19	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-17.7	-179.6	0	0	0	0	0	114.8	L57 E59 L96	L57-A61 WeakPolarHBondContact O-CB 3.43Å; L57-A61 PolarHBondContact O-N 3.24Å; L57-A61 VanDerWaalsContact O-N 3.08Å; E59-A61 VanDerWaalsContact C-N 3.33Å; E59-A61 PolarHBondContact O-N 3.41Å; A61-L96 HydrophobicContact CB-CD2 3.76Å
62	R	84.2	Confident	85.1	Confident	222 Å²	222	67.5 Å²	67.5	84%	0.838	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-8.1	178.6	-61.7	178.4	-179.5	174.1	0.3	113	E59 F60	E59-R62 PolarHBondContact O-N 3.2Å; F60-R62 PolarHBondContact O-N 3.32Å
63	K	82.9	Confident	85.2	Confident	122 Å²	122	64.7 Å²	64.7	53%	0.53	31%	0.314	S	S	.	.	S	Bend	trans	-97.2	133.9	-176.9	-62.3	179.3	-175.8	175.1	0	110	F60	F60-K63 PolarHBondContact O-N 3.48Å
64	P	78.9	Confident	85.3	Confident	114 Å²	114	64.8 Å²	64.8	74%	0.74	31%	0.314	S	S	*	.			trans	-67.2	145.9	172.4	29	-33.5	0	0	0	110.4
65	V	83.3	Confident	85.3	Confident	19 Å²	19	69.7 Å²	69.7	12%	0.115	33%	0.33	C	S	.	.			trans	-119.1	134.4	177.8	-175.2	0	0	0	0	108.5	F60 V70 V73 L100 T103	F60-V65 HydrophobicContact CE2-CG2 3.76Å; F60-V65 HydrophobicContact CZ-CG2 3.63Å; V65-V70 HydrophobicContact CB-CG2 4.42Å; V65-V70 HydrophobicContact CG1-CG2 3.85Å; V65-V73 HydrophobicContact CG1-CG2 4.44Å; V65-L100 HydrophobicContact CB-CD2 4.17Å; V65-L100 HydrophobicContact CG1-CD2 4.48Å; V65-L100 HydrophobicContact CG2-CD2 3.83Å; V65-T103 VanDerWaalsContact O-CG2 3.26Å; V65-T103 WeakPolarHBondContact O-CG2 3.28Å
66	E	83.4	Confident	85.4	Confident	126 Å²	126	66.4 Å²	66.4	59%	0.589	32%	0.316	S	S	*	.			trans	-72	140.6	175.4	-63.5	175.1	173.7	0	0	110.5	E68 S69 V70	E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 3.04Å; E66-E68 VanDerWaalsContact O-N 3.15Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.41Å; E66-V70 WeakPolarHBondContact O-CG2 3.45Å; E66-V70 PolarHBondContact O-N 3.04Å
67	A	83	Confident	85.5	Confident	31 Å²	31	61.7 Å²	61.7	26%	0.256	30%	0.297	S	S	.	.	H	α-helix	trans	-53.7	-38.6	-175.8	0	0	0	0	0	113.8	S69 V70 T103 N104 F106	A67-S69 PolarHBondContact O-N 3.13Å; A67-V70 PolarHBondContact O-N 2.85Å; A67-T103 HydrophobicContact CB-CG2 4.49Å; A67-N104 WeakPolarHBondContact CB-O 3.46Å; A67-F106 HydrophobicContact CB-CB 4.43Å
68	E	82.9	Confident	85.6	Confident	173 Å²	173	62.4 Å²	62.4	81%	0.808	30%	0.301	S	S	*	.	H	α-helix	trans	-66.9	-22.2	179.2	-59.1	-173.4	179.2	0	0	113.4	E66	E66-E68 VanDerWaalsContact C-N 3.25Å; E66-E68 PolarHBondContact O-N 3.04Å; E66-E68 VanDerWaalsContact O-N 3.15Å
69	S	84.1	Confident	85.8	Confident	1 Å²	1	63.4 Å²	63.4	1%	0.007	30%	0.303	C	S	.	.	H	α-helix	trans	-94.5	-17.5	-176.7	-60.3	0	0	0	0	112.8	S37 E66 A67 E71 G72 V73	S37-S69 VanDerWaalsContact CB-OG 3.3Å; S37-S69 WeakPolarHBondContact CB-OG 3.45Å; S37-S69 PolarHBondContact OG-OG 3.49Å; E66-S69 WeakPolarHBondContact O-CB 3.43Å; E66-S69 PolarHBondContact O-N 3.41Å; A67-S69 PolarHBondContact O-N 3.13Å; S69-E71 PolarHBondContact O-N 3.25Å; S69-G72 PolarHBondContact O-N 3.3Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 3.05Å
70	V	85.8	Confident	85.9	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-48.5	-172.5	174.3	0	0	0	0	112.7	V65 E66 A67 G72 V73 I74 L100 T103 F106	V65-V70 HydrophobicContact CB-CG2 4.42Å; V65-V70 HydrophobicContact CG1-CG2 3.85Å; E66-V70 WeakPolarHBondContact O-CG2 3.45Å; E66-V70 PolarHBondContact O-N 3.04Å; A67-V70 PolarHBondContact O-N 2.85Å; V70-G72 VanDerWaalsContact C-N 3.3Å; V70-G72 PolarHBondContact O-N 3.08Å; V70-V73 PolarHBondContact O-N 3.37Å; V70-I74 HydrophobicContact CG1-CD1 3.6Å; V70-I74 HydrophobicContact CG1-CG1 4.25Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.29Å; V70-L100 HydrophobicContact CG1-CB 3.98Å; V70-T103 HydrophobicContact CG2-CG2 3.84Å; V70-F106 HydrophobicContact CB-CD1 4.45Å; V70-F106 HydrophobicContact CB-CD2 3.73Å; V70-F106 HydrophobicContact CB-CE2 3.98Å; V70-F106 HydrophobicContact CB-CG 3.99Å; V70-F106 HydrophobicContact CB-CZ 4.43Å; V70-F106 HydrophobicContact CG1-CD1 3.74Å; V70-F106 HydrophobicContact CG1-CD2 3.8Å; V70-F106 HydrophobicContact CG1-CE1 3.69Å; V70-F106 HydrophobicContact CG1-CE2 3.77Å; V70-F106 HydrophobicContact CG1-CG 3.79Å; V70-F106 HydrophobicContact CG1-CZ 3.71Å; V70-F106 HydrophobicContact CG2-CB 4.48Å; V70-F106 HydrophobicContact CG2-CD2 4.5Å; V70-F106 HydrophobicContact CG2-CG 4.4Å
71	E	85.7	Confident	86	Confident	93 Å²	93	61.1 Å²	61.1	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-41.7	-179.3	-172.1	176.5	179.7	0	0	111.6	S69 I74 R75 F106	S69-E71 PolarHBondContact O-N 3.25Å; E71-I74 PolarHBondContact O-N 3.25Å; E71-R75 PolarHBondContact O-N 3.18Å; E71-R75 VanDerWaalsContact O-N 3.09Å; E71-F106 HydrophobicContact CB-CE2 4.19Å
72	G	85	Confident	86.2	Confident	11 Å²	11	65.7 Å²	65.7	11%	0.113	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-42	176.6	0	0	0	0	0	112.6	S69 V70 R75 I76	S69-G72 PolarHBondContact O-N 3.3Å; V70-G72 VanDerWaalsContact C-N 3.3Å; V70-G72 PolarHBondContact O-N 3.08Å; G72-R75 PolarHBondContact O-N 3.49Å; G72-I76 WeakPolarHBondContact O-CG1 3.49Å; G72-I76 PolarHBondContact O-N 3.46Å
73	V	87.3	Confident	86.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-43.9	176.7	172.2	0	0	0	0	111	A38 H41 I42 F60 V65 S69 V70 R75 I76 L77 L100	A38-V73 HydrophobicContact CB-CG2 4.08Å; H41-V73 HydrophobicContact CB-CG2 3.98Å; I42-V73 HydrophobicContact CG2-CG1 4.12Å; F60-V73 HydrophobicContact CE1-CG1 4.17Å; F60-V73 HydrophobicContact CE2-CG1 4.42Å; F60-V73 HydrophobicContact CZ-CG1 3.66Å; V65-V73 HydrophobicContact CG1-CG2 4.44Å; S69-V73 WeakPolarHBondContact O-CG2 3.48Å; S69-V73 PolarHBondContact O-N 3.05Å; V70-V73 PolarHBondContact O-N 3.37Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 3.42Å; V73-I76 PolarHBondContact O-N 2.97Å; V73-I76 VanDerWaalsContact O-N 3.15Å; V73-L77 HydrophobicContact CG1-CD1 4.15Å; V73-L77 HydrophobicContact CG1-CG 4.31Å; V73-L77 WeakPolarHBondContact O-CG 3.39Å; V73-L77 PolarHBondContact O-N 3.08Å; V73-L100 HydrophobicContact CG1-CD1 3.94Å
74	I	88.4	Confident	86.7	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-42.1	177.3	-75.2	173.1	0	0	0	111.1	V70 E71 L77 L78 L97 L100 F106 V111	V70-I74 HydrophobicContact CG1-CD1 3.6Å; V70-I74 HydrophobicContact CG1-CG1 4.25Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.29Å; E71-I74 PolarHBondContact O-N 3.25Å; I74-L77 WeakPolarHBondContact O-CB 3.19Å; I74-L77 PolarHBondContact O-N 3.22Å; I74-L78 HydrophobicContact CG2-CD1 3.95Å; I74-L78 HydrophobicContact CG2-CG 4.48Å; I74-L78 WeakPolarHBondContact O-CG 3.27Å; I74-L78 PolarHBondContact O-N 2.71Å; I74-L97 HydrophobicContact CB-CD2 4.28Å; I74-L97 HydrophobicContact CG1-CD2 4.08Å; I74-L97 HydrophobicContact CG2-CD2 3.79Å; I74-L100 HydrophobicContact CD1-CB 4.16Å; I74-L100 HydrophobicContact CD1-CD1 4.48Å; I74-L100 HydrophobicContact CG1-CB 4.35Å; I74-L100 HydrophobicContact CG1-CD1 3.77Å; I74-F106 HydrophobicContact CD1-CE1 4.2Å; I74-F106 HydrophobicContact CD1-CZ 4.1Å; I74-V111 HydrophobicContact CD1-CG1 4.18Å; I74-V111 HydrophobicContact CD1-CG2 3.81Å; I74-V111 HydrophobicContact CG2-CG1 3.75Å; I74-V111 HydrophobicContact CG2-CG2 4.05Å
75	R	88.3	Confident	87.1	Confident	149 Å²	149	59.1 Å²	59.1	56%	0.562	28%	0.282	S	S	*	.	H	α-helix	trans	-62.2	-43.7	175.6	-171.6	177.5	63.8	-179.2	-0.9	112.4	E71 G72 V73 L77 L78 E79	E71-R75 PolarHBondContact O-N 3.18Å; E71-R75 VanDerWaalsContact O-N 3.09Å; G72-R75 PolarHBondContact O-N 3.49Å; V73-R75 VanDerWaalsContact C-N 3.29Å; V73-R75 PolarHBondContact O-N 3.42Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.49Å; R75-L78 PolarHBondContact O-N 3.24Å; R75-E79 WeakPolarHBondContact O-CB 2.91Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 3.43Å
76	I	88.1	Confident	87.4	Confident	40 Å²	40	60.9 Å²	60.9	21%	0.205	29%	0.291	C	S	.	.	H	α-helix	trans	-60.6	-44.1	176.3	-65.3	166.4	0	0	0	110.5	A38 I42 G72 V73 E79 H80	A38-I76 HydrophobicContact CB-CD1 4Å; I42-I76 HydrophobicContact CG2-CG2 4.1Å; G72-I76 WeakPolarHBondContact O-CG1 3.49Å; G72-I76 PolarHBondContact O-N 3.46Å; V73-I76 PolarHBondContact O-N 2.97Å; V73-I76 VanDerWaalsContact O-N 3.15Å; I76-E79 PolarHBondContact O-N 2.86Å; I76-H80 PolarHBondContact O-N 3.13Å; I76-H80 VanDerWaalsContact O-N 3.1Å
77	L	90.6	Very high	87.8	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-45.7	177.3	-71.7	178.8	0	0	0	111.9	I42 L44 L57 V73 I74 R75 H80 Y81 I93 L96 L97 L100	I42-L77 HydrophobicContact CD1-CD2 3.79Å; L44-L77 HydrophobicContact CD1-CD2 3.95Å; L57-L77 HydrophobicContact CD2-CD2 3.6Å; V73-L77 HydrophobicContact CG1-CD1 4.15Å; V73-L77 HydrophobicContact CG1-CG 4.31Å; V73-L77 WeakPolarHBondContact O-CG 3.39Å; V73-L77 PolarHBondContact O-N 3.08Å; I74-L77 WeakPolarHBondContact O-CB 3.19Å; I74-L77 PolarHBondContact O-N 3.22Å; R75-L77 VanDerWaalsContact C-N 3.32Å; R75-L77 PolarHBondContact O-N 3.49Å; L77-H80 PolarHBondContact O-N 3.48Å; L77-Y81 WeakPolarHBondContact O-CB 3.32Å; L77-Y81 PolarHBondContact O-N 3.5Å; L77-I93 HydrophobicContact CB-CG2 3.92Å; L77-I93 HydrophobicContact CD2-CG1 4.46Å; L77-L96 HydrophobicContact CD1-CB 4.03Å; L77-L96 HydrophobicContact CD1-CD1 4.46Å; L77-L96 HydrophobicContact CD2-CD1 4.37Å; L77-L97 HydrophobicContact CB-CD2 4.48Å; L77-L97 HydrophobicContact CD1-CD2 4.44Å; L77-L100 HydrophobicContact CD1-CD1 3.72Å
78	L	90.6	Very high	88.2	Confident	15 Å²	15	59.1 Å²	59.1	8%	0.079	29%	0.285	C	S	.	.	H	α-helix	trans	-68.2	-39.6	178.6	-72.2	172	0	0	0	112.7	I74 R75 H80 Y81 Y82 L97 D114	I74-L78 HydrophobicContact CG2-CD1 3.95Å; I74-L78 HydrophobicContact CG2-CG 4.48Å; I74-L78 WeakPolarHBondContact O-CG 3.27Å; I74-L78 PolarHBondContact O-N 2.71Å; R75-L78 PolarHBondContact O-N 3.24Å; L78-H80 VanDerWaalsContact C-N 3.28Å; L78-H80 PolarHBondContact O-N 2.88Å; L78-Y81 WeakPolarHBondContact O-CB 3.5Å; L78-Y81 PolarHBondContact O-N 3.14Å; L78-Y82 WeakPolarHBondContact O-CD2 3.41Å; L78-Y82 PolarHBondContact O-N 3.39Å; L78-Y82 VanDerWaalsContact O-N 3.14Å; L78-L97 HydrophobicContact CD2-CD1 3.72Å; L78-L97 HydrophobicContact CD2-CD2 4.45Å; L78-L97 HydrophobicContact CG-CD1 4.46Å; L78-L97 HydrophobicContact CG-CD2 4.32Å; L78-D114 HydrophobicContact CD1-CB 3.69Å
79	E	89.3	Confident	88.5	Confident	102 Å²	102	50.9 Å²	50.9	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-60.1	-39.3	174.6	-78.5	178.8	-160.8	0	0	112.1	R75 I76	R75-E79 WeakPolarHBondContact O-CB 2.91Å; R75-E79 WeakPolarHBondContact O-CG 3.48Å; R75-E79 PolarHBondContact O-N 3.43Å; I76-E79 PolarHBondContact O-N 2.86Å
80	H	88.6	Confident	89	Confident	33 Å²	33	52.7 Å²	52.7	15%	0.153	25%	0.254	C	S	.	.	H	α-helix	trans	-71.9	-40.4	174.2	-171.5	69.4	0	0	0	111.4	L44 I76 L77 L78 Y82 K83 E84	L44-H80 HydrophobicContact CB-CB 4.49Å; L44-H80 HydrophobicContact CD1-CB 3.84Å; I76-H80 PolarHBondContact O-N 3.13Å; I76-H80 VanDerWaalsContact O-N 3.1Å; L77-H80 PolarHBondContact O-N 3.48Å; L78-H80 VanDerWaalsContact C-N 3.28Å; L78-H80 PolarHBondContact O-N 2.88Å; H80-Y82 VanDerWaalsContact C-N 3.31Å; H80-Y82 PolarHBondContact O-N 3.31Å; H80-K83 PolarHBondContact O-N 2.98Å; H80-E84 IonicContact CE1-OE2 3.26Å; H80-E84 IonicContact NE2-OE2 3.87Å; H80-E84 WeakPolarHBondContact O-CB 3.42Å; H80-E84 PolarHBondContact O-N 3.46Å
81	Y	91.3	Very high	89.3	Confident	7 Å²	7	55.2 Å²	55.2	3%	0.027	27%	0.267	C	S	.	.	H	α-helix	trans	-52.2	-46	177.3	-174.9	-79.6	0	0	0	112.9	L77 L78 K83 E84 R90 I93 T118 E122 V127	L77-Y81 WeakPolarHBondContact O-CB 3.32Å; L77-Y81 PolarHBondContact O-N 3.5Å; L78-Y81 WeakPolarHBondContact O-CB 3.5Å; L78-Y81 PolarHBondContact O-N 3.14Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 3.44Å; Y81-E84 PolarHBondContact O-N 2.93Å; Y81-R90 HydrophobicContact CD2-CB 3.95Å; Y81-R90 HydrophobicContact CD2-CG 3.98Å; Y81-R90 HydrophobicContact CE2-CB 3.59Å; Y81-R90 HydrophobicContact CE2-CG 3.98Å; Y81-R90 WeakPolarHBondContact CE2-O 3.48Å; Y81-R90 HydrophobicContact CG-CG 4.32Å; Y81-I93 HydrophobicContact CD2-CB 4.01Å; Y81-I93 HydrophobicContact CD2-CD1 4.38Å; Y81-I93 HydrophobicContact CD2-CG2 3.8Å; Y81-I93 HydrophobicContact CG-CG2 4.46Å; Y81-T118 HydrophobicContact CD1-CG2 3.7Å; Y81-T118 HydrophobicContact CE1-CG2 3.25Å; Y81-T118 HydrophobicContact CE2-CG2 4.16Å; Y81-T118 HydrophobicContact CG-CG2 4.37Å; Y81-T118 VanDerWaalsContact CZ-CG2 3.48Å; Y81-E122 PolarHBondContact OH-OE2 2.95Å; Y81-V127 HydrophobicContact CE2-CG1 4.11Å; Y81-V127 WeakPolarHBondContact OH-CG1 3.46Å
82	Y	89.3	Confident	89.7	Confident	119 Å²	119	53.8 Å²	53.8	47%	0.467	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.2	-178.4	-72.1	-63.5	0	0	0	114.2	L78 H80 T118	L78-Y82 WeakPolarHBondContact O-CD2 3.41Å; L78-Y82 PolarHBondContact O-N 3.39Å; L78-Y82 VanDerWaalsContact O-N 3.14Å; H80-Y82 VanDerWaalsContact C-N 3.31Å; H80-Y82 PolarHBondContact O-N 3.31Å; Y82-T118 PolarHBondContact OH-OG1 3.17Å; Y82-T118 VanDerWaalsContact OH-OG1 3.08Å
83	K	88.3	Confident	90.1	Very high	162 Å²	162	53.2 Å²	53.2	70%	0.704	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-24	175.7	-65.8	173.5	-175.1	170.1	0	112.2	H80 Y81	H80-K83 PolarHBondContact O-N 2.98Å; Y81-K83 VanDerWaalsContact C-N 3.27Å; Y81-K83 PolarHBondContact O-N 3.44Å
84	E	88.1	Confident	90.4	Very high	35 Å²	35	53.2 Å²	53.2	16%	0.164	25%	0.252	C	S	.	.			trans	-78.9	136.8	-173.8	-171.9	53.3	-96.2	0	0	111.8	H80 Y81 D86 V89 R90	H80-E84 IonicContact CE1-OE2 3.26Å; H80-E84 IonicContact NE2-OE2 3.87Å; H80-E84 WeakPolarHBondContact O-CB 3.42Å; H80-E84 PolarHBondContact O-N 3.46Å; Y81-E84 PolarHBondContact O-N 2.93Å; E84-D86 HydrophobicContact CG-CB 4.44Å; E84-D86 PolarHBondContact OE1-N 3.06Å; E84-D86 VanDerWaalsContact OE1-N 3.08Å; E84-V89 HydrophobicContact CG-CB 3.73Å; E84-V89 HydrophobicContact CG-CG1 3.73Å; E84-V89 HydrophobicContact CG-CG2 4.46Å; E84-R90 HydrophobicContact CB-CG 4.1Å; E84-R90 HydrophobicContact CG-CG 4.19Å; E84-R90 WeakPolarHBondContact O-CD 3.33Å
85	T	87.1	Confident	90.6	Very high	122 Å²	122	54.6 Å²	54.6	75%	0.748	26%	0.262	S	S	*	.			trans	-100.5	-27	179	57.3	0	0	0	0	112
86	D	90.9	Very high	90.8	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	24%	0.235	S	C	.	.			trans	-72.4	130.3	-178.2	-173.5	-90.6	0	0	0	112.1	A50 E84 S88 V89 R90	A50-D86 HydrophobicContact CB-CB 3.68Å; E84-D86 HydrophobicContact CG-CB 4.44Å; E84-D86 PolarHBondContact OE1-N 3.06Å; E84-D86 VanDerWaalsContact OE1-N 3.08Å; D86-S88 VanDerWaalsContact C-N 3.35Å; D86-S88 PolarHBondContact O-N 3.01Å; D86-S88 WeakPolarHBondContact OD1-CA 3.47Å; D86-S88 VanDerWaalsContact OD1-CB 3.25Å; D86-S88 WeakPolarHBondContact OD1-CB 3.41Å; D86-S88 PolarHBondContact OD1-N 2.77Å; D86-S88 PolarHBondContact OD1-OG 3.21Å; D86-V89 HydrophobicContact CB-CB 4.47Å; D86-V89 HydrophobicContact CB-CG2 4.14Å; D86-V89 PolarHBondContact OD1-N 2.92Å; D86-V89 VanDerWaalsContact OD1-N 3.15Å; D86-R90 WeakPolarHBondContact O-CG 3.12Å; D86-R90 PolarHBondContact O-N 3.25Å
87	N	91.3	Very high	91	Very high	67 Å²	67	45.7 Å²	45.7	36%	0.358	23%	0.226	S	C	.	.	H	α-helix	trans	-69	-32.3	-177.8	-71.9	-17.7	0	0	0	112.6	R90 L91	N87-R90 PolarHBondContact OD1-NH2 2.9Å; N87-L91 WeakPolarHBondContact O-CB 3.41Å; N87-L91 PolarHBondContact O-N 3.29Å
88	S	90.6	Very high	91	Very high	53 Å²	53	45.8 Å²	45.8	37%	0.371	23%	0.227	S	C	.	.	H	α-helix	trans	-72.4	-39.6	-176	76.5	0	0	0	0	111.6	D86 L91 R92	D86-S88 VanDerWaalsContact C-N 3.35Å; D86-S88 PolarHBondContact O-N 3.01Å; D86-S88 WeakPolarHBondContact OD1-CA 3.47Å; D86-S88 VanDerWaalsContact OD1-CB 3.25Å; D86-S88 WeakPolarHBondContact OD1-CB 3.41Å; D86-S88 PolarHBondContact OD1-N 2.77Å; D86-S88 PolarHBondContact OD1-OG 3.21Å; S88-L91 PolarHBondContact O-N 3.12Å; S88-R92 PolarHBondContact O-N 3.32Å
89	V	90.4	Very high	91	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.5	-48.4	174.5	-177.8	0	0	0	0	110.2	A50 A53 L54 L57 E84 D86 L91 R92 I93	A50-V89 HydrophobicContact CB-CG2 3.9Å; A50-V89 WeakPolarHBondContact O-CG2 3.3Å; A53-V89 HydrophobicContact CB-CG1 4.1Å; A53-V89 HydrophobicContact CB-CG2 4.32Å; L54-V89 HydrophobicContact CB-CG2 4.28Å; L57-V89 HydrophobicContact CD1-CG1 3.75Å; E84-V89 HydrophobicContact CG-CB 3.73Å; E84-V89 HydrophobicContact CG-CG1 3.73Å; E84-V89 HydrophobicContact CG-CG2 4.46Å; D86-V89 HydrophobicContact CB-CB 4.47Å; D86-V89 HydrophobicContact CB-CG2 4.14Å; D86-V89 PolarHBondContact OD1-N 2.92Å; D86-V89 VanDerWaalsContact OD1-N 3.15Å; V89-L91 PolarHBondContact O-N 2.99Å; V89-R92 PolarHBondContact O-N 3.47Å; V89-R92 VanDerWaalsContact O-N 3.15Å; V89-I93 HydrophobicContact CG1-CD1 4.08Å; V89-I93 WeakPolarHBondContact O-CG1 3.47Å; V89-I93 PolarHBondContact O-N 2.91Å
90	R	93.8	Very high	91	Very high	40 Å²	40	44.7 Å²	44.7	15%	0.151	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.9	-72.7	-168.5	-67.1	155.1	-0.2	112.6	Y81 E84 D86 N87 R92 I93 A94 E122 V127	Y81-R90 HydrophobicContact CD2-CB 3.95Å; Y81-R90 HydrophobicContact CD2-CG 3.98Å; Y81-R90 HydrophobicContact CE2-CB 3.59Å; Y81-R90 HydrophobicContact CE2-CG 3.98Å; Y81-R90 WeakPolarHBondContact CE2-O 3.48Å; Y81-R90 HydrophobicContact CG-CG 4.32Å; E84-R90 HydrophobicContact CB-CG 4.1Å; E84-R90 HydrophobicContact CG-CG 4.19Å; E84-R90 WeakPolarHBondContact O-CD 3.33Å; D86-R90 WeakPolarHBondContact O-CG 3.12Å; D86-R90 PolarHBondContact O-N 3.25Å; N87-R90 PolarHBondContact OD1-NH2 2.9Å; R90-R92 VanDerWaalsContact C-N 3.35Å; R90-R92 PolarHBondContact O-N 2.92Å; R90-I93 PolarHBondContact O-N 3.49Å; R90-A94 WeakPolarHBondContact O-CB 3.46Å; R90-A94 PolarHBondContact O-N 3.11Å; R90-E122 IonicContact CZ-OE1 3.53Å; R90-E122 IonicContact CZ-OE2 3.18Å; R90-E122 IonicContact NH1-OE1 3.45Å; R90-E122 PolarHBondContact NH1-OE1 3.49Å; R90-E122 IonicContact NH1-OE2 2.76Å; R90-E122 PolarHBondContact NH1-OE2 2.74Å; R90-E122 IonicContact NH2-OE1 3.59Å; R90-V127 HydrophobicContact CB-CG1 4.31Å; R90-V127 HydrophobicContact CB-CG2 4.4Å
91	L	93	Very high	91	Very high	52 Å²	52	43.3 Å²	43.3	27%	0.272	22%	0.218	S	C	.	.	H	α-helix	trans	-60.4	-44.3	174.7	-173.4	148.9	0	0	0	111.3	N87 S88 V89 A94 S95 Q126 V127 Q130	N87-L91 WeakPolarHBondContact O-CB 3.41Å; N87-L91 PolarHBondContact O-N 3.29Å; S88-L91 PolarHBondContact O-N 3.12Å; V89-L91 PolarHBondContact O-N 2.99Å; L91-A94 WeakPolarHBondContact O-CB 3.35Å; L91-A94 PolarHBondContact O-N 2.99Å; L91-S95 PolarHBondContact O-N 3.05Å; L91-Q126 HydrophobicContact CD1-CB 4.09Å; L91-V127 HydrophobicContact CB-CG2 4.21Å; L91-Q130 HydrophobicContact CG-CB 4.16Å; L91-Q130 HydrophobicContact CG-CG 4.26Å
92	R	93.3	Very high	90.9	Very high	63 Å²	63	48.5 Å²	48.5	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-66	-40.6	179	-174.4	56.8	176	178.4	-3.8	112.1	L54 L57 S88 V89 R90 S95 L96	L54-R92 HydrophobicContact CD1-CB 3.7Å; L54-R92 HydrophobicContact CD1-CG 3.99Å; L57-R92 HydrophobicContact CB-CG 3.75Å; L57-R92 HydrophobicContact CD1-CB 4.3Å; L57-R92 HydrophobicContact CD1-CG 4.27Å; S88-R92 PolarHBondContact O-N 3.32Å; V89-R92 PolarHBondContact O-N 3.47Å; V89-R92 VanDerWaalsContact O-N 3.15Å; R90-R92 VanDerWaalsContact C-N 3.35Å; R90-R92 PolarHBondContact O-N 2.92Å; R92-S95 WeakPolarHBondContact O-CB 3.19Å; R92-S95 PolarHBondContact O-N 2.89Å; R92-L96 WeakPolarHBondContact O-CG 3.14Å; R92-L96 PolarHBondContact O-N 2.98Å
93	I	93.1	Very high	90.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-49.5	172.9	-67.5	166.1	0	0	0	110.2	L57 L77 Y81 V89 R90 S95 L96 L97	L57-I93 HydrophobicContact CD1-CD1 4.42Å; L57-I93 HydrophobicContact CD1-CG1 3.77Å; L57-I93 HydrophobicContact CD2-CG1 4.08Å; L77-I93 HydrophobicContact CB-CG2 3.92Å; L77-I93 HydrophobicContact CD2-CG1 4.46Å; Y81-I93 HydrophobicContact CD2-CB 4.01Å; Y81-I93 HydrophobicContact CD2-CD1 4.38Å; Y81-I93 HydrophobicContact CD2-CG2 3.8Å; Y81-I93 HydrophobicContact CG-CG2 4.46Å; V89-I93 HydrophobicContact CG1-CD1 4.08Å; V89-I93 WeakPolarHBondContact O-CG1 3.47Å; V89-I93 PolarHBondContact O-N 2.91Å; R90-I93 PolarHBondContact O-N 3.49Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.89Å; I93-L96 WeakPolarHBondContact O-CB 3.41Å; I93-L96 PolarHBondContact O-N 3.4Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.43Å
94	A	93.6	Very high	90.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.8	-43	177.8	0	0	0	0	0	111.8	R90 L91 L97 V127 Q130 L131 S134	R90-A94 WeakPolarHBondContact O-CB 3.46Å; R90-A94 PolarHBondContact O-N 3.11Å; L91-A94 WeakPolarHBondContact O-CB 3.35Å; L91-A94 PolarHBondContact O-N 2.99Å; A94-L97 WeakPolarHBondContact O-CB 3.36Å; A94-L97 PolarHBondContact O-N 2.89Å; A94-V127 HydrophobicContact CB-CG1 4.48Å; A94-Q130 HydrophobicContact CB-CB 4.32Å; A94-Q130 HydrophobicContact CB-CG 3.84Å; A94-L131 HydrophobicContact CB-CD2 3.55Å; A94-L131 HydrophobicContact CB-CG 3.83Å; A94-S134 WeakPolarHBondContact O-CB 3.4Å; A94-S134 PolarHBondContact O-OG 3.4Å
95	S	94	Very high	90.2	Very high	32 Å²	32	45.9 Å²	45.9	22%	0.224	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-41.4	175	-178.2	0	0	0	0	112.9	L91 R92 I93 L97 G98 L99	L91-S95 PolarHBondContact O-N 3.05Å; R92-S95 WeakPolarHBondContact O-CB 3.19Å; R92-S95 PolarHBondContact O-N 2.89Å; I93-S95 VanDerWaalsContact C-N 3.26Å; I93-S95 PolarHBondContact O-N 2.89Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.33Å; S95-G98 PolarHBondContact O-N 3.32Å; S95-L99 PolarHBondContact O-N 3.48Å
96	L	92.4	Very high	90.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-34.4	177.6	-75.4	170.3	0	0	0	112.9	L57 F60 A61 L77 R92 I93 G98 L99 L100	L57-L96 HydrophobicContact CB-CD1 4.13Å; L57-L96 HydrophobicContact CD2-CD1 3.53Å; L57-L96 HydrophobicContact CG-CD1 4.41Å; F60-L96 HydrophobicContact CD1-CD1 3.94Å; F60-L96 HydrophobicContact CD1-CD2 4.06Å; F60-L96 HydrophobicContact CE1-CD1 4.36Å; F60-L96 HydrophobicContact CE1-CD2 4.2Å; A61-L96 HydrophobicContact CB-CD2 3.76Å; L77-L96 HydrophobicContact CD1-CB 4.03Å; L77-L96 HydrophobicContact CD1-CD1 4.46Å; L77-L96 HydrophobicContact CD2-CD1 4.37Å; R92-L96 WeakPolarHBondContact O-CG 3.14Å; R92-L96 PolarHBondContact O-N 2.98Å; I93-L96 WeakPolarHBondContact O-CB 3.41Å; I93-L96 PolarHBondContact O-N 3.4Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 3.46Å; L96-L99 HydrophobicContact CD2-CD2 4.17Å; L96-L99 PolarHBondContact O-N 3.41Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 2.93Å
97	L	92.3	Very high	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.5	-42.7	174.6	-61.8	176.1	0	0	0	111.3	I74 L77 L78 I93 A94 S95 S101 V115	I74-L97 HydrophobicContact CB-CD2 4.28Å; I74-L97 HydrophobicContact CG1-CD2 4.08Å; I74-L97 HydrophobicContact CG2-CD2 3.79Å; L77-L97 HydrophobicContact CB-CD2 4.48Å; L77-L97 HydrophobicContact CD1-CD2 4.44Å; L78-L97 HydrophobicContact CD2-CD1 3.72Å; L78-L97 HydrophobicContact CD2-CD2 4.45Å; L78-L97 HydrophobicContact CG-CD1 4.46Å; L78-L97 HydrophobicContact CG-CD2 4.32Å; I93-L97 WeakPolarHBondContact O-CG 3.32Å; I93-L97 PolarHBondContact O-N 3.43Å; A94-L97 WeakPolarHBondContact O-CB 3.36Å; A94-L97 PolarHBondContact O-N 2.89Å; S95-L97 VanDerWaalsContact C-N 3.33Å; S95-L97 PolarHBondContact O-N 3.33Å; L97-S101 PolarHBondContact O-N 3.28Å; L97-V115 HydrophobicContact CD1-CG2 4.13Å
98	G	89.8	Confident	89.7	Confident	3 Å²	3	39.4 Å²	39.4	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-43.1	173.9	0	0	0	0	0	112.4	S95 L96 S101 V137	S95-G98 PolarHBondContact O-N 3.32Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 3.46Å; G98-S101 WeakPolarHBondContact O-CB 3.47Å; G98-S101 PolarHBondContact O-N 3.46Å; G98-S101 PolarHBondContact O-OG 2.97Å; G98-V137 WeakPolarHBondContact O-CG1 3.42Å
99	L	89.9	Confident	89.4	Confident	85 Å²	85	40.3 Å²	40.3	45%	0.445	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-46.7	179.3	-178.4	62.2	0	0	0	112.5	S95 L96 S101 K102	S95-L99 PolarHBondContact O-N 3.48Å; L96-L99 HydrophobicContact CD2-CD2 4.17Å; L96-L99 PolarHBondContact O-N 3.41Å; L99-S101 PolarHBondContact O-N 3.27Å; L99-K102 WeakPolarHBondContact O-CB 3.46Å; L99-K102 PolarHBondContact O-N 3.47Å; L99-K102 VanDerWaalsContact O-N 3.07Å
100	L	89.8	Confident	89.1	Confident	8 Å²	8	42 Å²	42	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-64.3	-27.8	-178.8	-71.8	172	0	0	0	112.5	F60 V65 V70 V73 I74 L77 L96 K102 T103	F60-L100 HydrophobicContact CE1-CD1 4.43Å; F60-L100 HydrophobicContact CE1-CD2 4.42Å; F60-L100 HydrophobicContact CZ-CD2 4.19Å; V65-L100 HydrophobicContact CB-CD2 4.17Å; V65-L100 HydrophobicContact CG1-CD2 4.48Å; V65-L100 HydrophobicContact CG2-CD2 3.83Å; V70-L100 HydrophobicContact CG1-CB 3.98Å; V73-L100 HydrophobicContact CG1-CD1 3.94Å; I74-L100 HydrophobicContact CD1-CB 4.16Å; I74-L100 HydrophobicContact CD1-CD1 4.48Å; I74-L100 HydrophobicContact CG1-CB 4.35Å; I74-L100 HydrophobicContact CG1-CD1 3.77Å; L77-L100 HydrophobicContact CD1-CD1 3.72Å; L96-L100 WeakPolarHBondContact O-CB 3.35Å; L96-L100 VanDerWaalsContact O-CG 3.27Å; L96-L100 WeakPolarHBondContact O-CG 3.49Å; L96-L100 PolarHBondContact O-N 2.93Å; L100-K102 PolarHBondContact O-N 3.29Å; L100-T103 WeakPolarHBondContact O-CB 3.46Å; L100-T103 PolarHBondContact O-N 2.86Å; L100-T103 VanDerWaalsContact O-N 3.13Å; L100-T103 PolarHBondContact O-OG1 2.95Å
101	S	88.6	Confident	88.7	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.028	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.6	174.5	79.1	0	0	0	0	114.1	L97 G98 L99 T103	L97-S101 PolarHBondContact O-N 3.28Å; G98-S101 WeakPolarHBondContact O-CB 3.47Å; G98-S101 PolarHBondContact O-N 3.46Å; G98-S101 PolarHBondContact O-OG 2.97Å; L99-S101 PolarHBondContact O-N 3.27Å; S101-T103 VanDerWaalsContact C-N 3.31Å
102	K	88.7	Confident	88.5	Confident	116 Å²	116	38 Å²	38	50%	0.504	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4	176.6	-58.9	-176	179.8	-178.3	0	113.7	L99 L100 N104 V137	L99-K102 WeakPolarHBondContact O-CB 3.46Å; L99-K102 PolarHBondContact O-N 3.47Å; L99-K102 VanDerWaalsContact O-N 3.07Å; L100-K102 PolarHBondContact O-N 3.29Å; K102-N104 PolarHBondContact O-N 2.97Å; K102-V137 HydrophobicContact CD-CG1 4.26Å; K102-V137 HydrophobicContact CG-CG1 3.99Å
103	T	87.9	Confident	88.2	Confident	28 Å²	28	38.1 Å²	38.1	17%	0.172	23%	0.229	C	C	.	.	S	Bend	trans	-68.9	123.8	-177.8	-52.7	0	0	0	0	110.3	V65 A67 V70 L100 S101 G105 F106	V65-T103 VanDerWaalsContact O-CG2 3.26Å; V65-T103 WeakPolarHBondContact O-CG2 3.28Å; A67-T103 HydrophobicContact CB-CG2 4.49Å; V70-T103 HydrophobicContact CG2-CG2 3.84Å; L100-T103 WeakPolarHBondContact O-CB 3.46Å; L100-T103 PolarHBondContact O-N 2.86Å; L100-T103 VanDerWaalsContact O-N 3.13Å; L100-T103 PolarHBondContact O-OG1 2.95Å; S101-T103 VanDerWaalsContact C-N 3.31Å; T103-G105 PolarHBondContact O-N 3.2Å; T103-F106 WeakPolarHBondContact O-CB 3.48Å; T103-F106 PolarHBondContact O-N 2.64Å
104	N	82	Confident	88	Confident	153 Å²	153	41.6 Å²	41.6	82%	0.818	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	125.1	-179.9	-72	-14.7	0	0	0	111.3	A67 K102	A67-N104 WeakPolarHBondContact CB-O 3.46Å; K102-N104 PolarHBondContact O-N 2.97Å
105	G	81.6	Confident	87.9	Confident	81 Å²	81	41.6 Å²	41.6	84%	0.835	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.9	-2.1	-179.3	0	0	0	0	0	115.2	T103	T103-G105 PolarHBondContact O-N 3.2Å
106	F	85.9	Confident	87.7	Confident	27 Å²	27	41 Å²	41	12%	0.118	24%	0.242	C	C	.	.			trans	-92.3	134.9	172	178.3	-110.4	0	0	0	110.9	A67 V70 E71 I74 T103 P108 V111	A67-F106 HydrophobicContact CB-CB 4.43Å; V70-F106 HydrophobicContact CB-CD1 4.45Å; V70-F106 HydrophobicContact CB-CD2 3.73Å; V70-F106 HydrophobicContact CB-CE2 3.98Å; V70-F106 HydrophobicContact CB-CG 3.99Å; V70-F106 HydrophobicContact CB-CZ 4.43Å; V70-F106 HydrophobicContact CG1-CD1 3.74Å; V70-F106 HydrophobicContact CG1-CD2 3.8Å; V70-F106 HydrophobicContact CG1-CE1 3.69Å; V70-F106 HydrophobicContact CG1-CE2 3.77Å; V70-F106 HydrophobicContact CG1-CG 3.79Å; V70-F106 HydrophobicContact CG1-CZ 3.71Å; V70-F106 HydrophobicContact CG2-CB 4.48Å; V70-F106 HydrophobicContact CG2-CD2 4.5Å; V70-F106 HydrophobicContact CG2-CG 4.4Å; E71-F106 HydrophobicContact CB-CE2 4.19Å; I74-F106 HydrophobicContact CD1-CE1 4.2Å; I74-F106 HydrophobicContact CD1-CZ 4.1Å; T103-F106 WeakPolarHBondContact O-CB 3.48Å; T103-F106 PolarHBondContact O-N 2.64Å; F106-P108 HydrophobicContact CD1-CB 4.43Å; F106-P108 HydrophobicContact CE1-CB 4.16Å; F106-P108 WeakPolarHBondContact O-CD 3.4Å; F106-V111 HydrophobicContact CE1-CG2 4.4Å; F106-V111 HydrophobicContact CZ-CG2 3.81Å
107	S	86.6	Confident	87.6	Confident	76 Å²	76	44.8 Å²	44.8	53%	0.531	26%	0.262	S	S	.	.			trans	-96.6	111	175.1	179.7	0	0	0	0	110.1	D109 C110	S107-D109 PolarHBondContact O-N 3.17Å; S107-C110 PolarHBondContact O-SG 3.22Å
108	P	85.4	Confident	87.5	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.039	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-79.3	-3.5	-172	31.3	-34.7	0	0	0	114.3	F106 C110 V111 I138 Q141 L142	F106-P108 HydrophobicContact CD1-CB 4.43Å; F106-P108 HydrophobicContact CE1-CB 4.16Å; F106-P108 WeakPolarHBondContact O-CD 3.4Å; P108-C110 PolarHBondContact O-N 3.34Å; P108-V111 PolarHBondContact O-N 3.2Å; P108-V111 VanDerWaalsContact O-N 3.14Å; P108-I138 HydrophobicContact CB-CG2 4.07Å; P108-Q141 HydrophobicContact CG-CB 3.75Å; P108-L142 HydrophobicContact CG-CD1 4.15Å; P108-L142 HydrophobicContact CG-CD2 3.91Å; P108-L142 HydrophobicContact CG-CG 3.87Å
109	D	85	Confident	87.6	Confident	72 Å²	72	45.2 Å²	45.2	39%	0.385	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-56.2	-34	176.4	-176.9	61	0	0	0	112.3	S107 V111 L142 V148	S107-D109 PolarHBondContact O-N 3.17Å; D109-V111 PolarHBondContact O-N 3.47Å; D109-L142 HydrophobicContact CB-CD1 4.14Å; D109-L142 HydrophobicContact CB-CD2 4.25Å; D109-V148 WeakPolarHBondContact OD1-CG2 3.41Å
110	C	83.8	Confident	87.4	Confident	36 Å²	36	44.2 Å²	44.2	24%	0.243	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69.3	-16.9	-178.8	59.6	0	0	0	0	114.6	S107 P108	S107-C110 PolarHBondContact O-SG 3.22Å; P108-C110 PolarHBondContact O-N 3.34Å
111	V	86.6	Confident	87.3	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.03	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-13.7	-173.5	177.1	0	0	0	0	112.6	I74 F106 P108 D109 D113 D114 V115	I74-V111 HydrophobicContact CD1-CG1 4.18Å; I74-V111 HydrophobicContact CD1-CG2 3.81Å; I74-V111 HydrophobicContact CG2-CG1 3.75Å; I74-V111 HydrophobicContact CG2-CG2 4.05Å; F106-V111 HydrophobicContact CE1-CG2 4.4Å; F106-V111 HydrophobicContact CZ-CG2 3.81Å; P108-V111 PolarHBondContact O-N 3.2Å; P108-V111 VanDerWaalsContact O-N 3.14Å; D109-V111 PolarHBondContact O-N 3.47Å; V111-D113 VanDerWaalsContact C-N 3.28Å; V111-D113 PolarHBondContact O-N 3.49Å; V111-D114 PolarHBondContact O-N 2.88Å; V111-D114 VanDerWaalsContact O-N 3.14Å; V111-V115 HydrophobicContact CG1-CG2 3.83Å; V111-V115 WeakPolarHBondContact O-CG2 3.31Å; V111-V115 PolarHBondContact O-N 3.47Å; V111-V115 VanDerWaalsContact O-N 3.1Å
112	V	88.6	Confident	87.4	Confident	1 Å²	1	50 Å²	50	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-52.7	-46.9	-178.2	173.2	0	0	0	0	111.7	D114 V115 I116 I138 L142 V148 L152	V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 2.63Å; V112-V115 PolarHBondContact O-N 3.45Å; V112-I116 HydrophobicContact CG1-CD1 3.65Å; V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 VanDerWaalsContact O-CG1 3.3Å; V112-I116 WeakPolarHBondContact O-CG1 3.44Å; V112-I116 PolarHBondContact O-N 2.97Å; V112-I138 HydrophobicContact CG2-CG2 3.59Å; V112-L142 HydrophobicContact CG2-CD1 4.05Å; V112-V148 HydrophobicContact CG1-CG1 4.11Å; V112-V148 HydrophobicContact CG2-CG1 4.06Å; V112-L152 HydrophobicContact CG1-CD2 4.18Å
113	D	87.6	Confident	87.4	Confident	67 Å²	67	53.3 Å²	53.3	36%	0.358	32%	0.319	S	S	.	.	H	α-helix	trans	-67.2	-36.9	-176.6	-80.5	6.3	0	0	0	112.2	V111 I116 N117 R151	V111-D113 VanDerWaalsContact C-N 3.28Å; V111-D113 PolarHBondContact O-N 3.49Å; D113-I116 PolarHBondContact O-N 3.43Å; D113-N117 WeakPolarHBondContact O-CB 3.49Å; D113-N117 PolarHBondContact O-N 2.9Å; D113-N117 PolarHBondContact O-ND2 3.07Å; D113-N117 VanDerWaalsContact O-ND2 3.07Å; D113-R151 IonicContact OD1-CZ 3.08Å; D113-R151 IonicContact OD1-NE 3.63Å; D113-R151 IonicContact OD1-NH1 3.53Å; D113-R151 PolarHBondContact OD1-NH1 3.13Å; D113-R151 IonicContact OD1-NH2 3.68Å; D113-R151 PolarHBondContact OD1-NH2 3.02Å; D113-R151 IonicContact OD2-CZ 2.71Å; D113-R151 IonicContact OD2-NH1 3.73Å; D113-R151 PolarHBondContact OD2-NH1 3.39Å; D113-R151 IonicContact OD2-NH2 2.92Å
114	D	88.6	Confident	87.6	Confident	72 Å²	72	52.9 Å²	52.9	39%	0.385	32%	0.317	S	S	.	.	H	α-helix	trans	-65.3	-41.5	177	-67	-28.7	0	0	0	111.4	L78 V111 V112 N117 T118	L78-D114 HydrophobicContact CD1-CB 3.69Å; V111-D114 PolarHBondContact O-N 2.88Å; V111-D114 VanDerWaalsContact O-N 3.14Å; V112-D114 VanDerWaalsContact C-N 3.35Å; V112-D114 PolarHBondContact O-N 2.63Å; D114-N117 PolarHBondContact O-N 2.7Å; D114-T118 WeakPolarHBondContact O-CB 3.35Å; D114-T118 PolarHBondContact O-N 3.19Å; D114-T118 PolarHBondContact O-OG1 3.44Å
115	V	90.4	Very high	88	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-68.8	-41.5	176.8	-177.4	0	0	0	0	111.2	L97 V111 V112 N117 T118 L119 L131 L135 I138	L97-V115 HydrophobicContact CD1-CG2 4.13Å; V111-V115 HydrophobicContact CG1-CG2 3.83Å; V111-V115 WeakPolarHBondContact O-CG2 3.31Å; V111-V115 PolarHBondContact O-N 3.47Å; V111-V115 VanDerWaalsContact O-N 3.1Å; V112-V115 PolarHBondContact O-N 3.45Å; V115-N117 VanDerWaalsContact C-N 3.32Å; V115-N117 PolarHBondContact O-N 3.38Å; V115-T118 PolarHBondContact O-N 3.36Å; V115-L119 WeakPolarHBondContact O-CB 3.49Å; V115-L119 PolarHBondContact O-N 3.13Å; V115-L131 HydrophobicContact CG1-CD2 4.14Å; V115-L135 HydrophobicContact CB-CD2 3.72Å; V115-L135 HydrophobicContact CB-CG 4.42Å; V115-L135 HydrophobicContact CG1-CD1 4.32Å; V115-L135 HydrophobicContact CG1-CD2 3.46Å; V115-L135 VanDerWaalsContact CG1-CD2 3.46Å; V115-L135 HydrophobicContact CG1-CG 3.62Å; V115-I138 HydrophobicContact CG2-CD1 4.04Å
116	I	90.6	Very high	88.3	Confident	19 Å²	19	51.3 Å²	51.3	10%	0.097	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-39.5	174.6	-68.9	171.7	0	0	0	111.1	V112 D113 L119 G120 L135 R151 L152 V155	V112-I116 HydrophobicContact CG1-CD1 3.65Å; V112-I116 HydrophobicContact CG1-CG1 4.33Å; V112-I116 VanDerWaalsContact O-CG1 3.3Å; V112-I116 WeakPolarHBondContact O-CG1 3.44Å; V112-I116 PolarHBondContact O-N 2.97Å; D113-I116 PolarHBondContact O-N 3.43Å; I116-L119 WeakPolarHBondContact O-CB 3.11Å; I116-L119 PolarHBondContact O-N 2.96Å; I116-G120 PolarHBondContact O-N 3.01Å; I116-G120 VanDerWaalsContact O-N 3.09Å; I116-L135 HydrophobicContact CG1-CD1 4.05Å; I116-L135 HydrophobicContact CG1-CD2 4.18Å; I116-R151 HydrophobicContact CD1-CG 4.02Å; I116-L152 HydrophobicContact CD1-CD2 4.06Å; I116-L152 HydrophobicContact CG1-CD2 4.4Å; I116-V155 HydrophobicContact CD1-CG2 4.4Å; I116-V155 HydrophobicContact CG1-CG2 4.45Å; I116-V155 HydrophobicContact CG2-CG2 4.03Å
117	N	90.4	Very high	88.6	Confident	82 Å²	82	50 Å²	50	44%	0.439	28%	0.277	S	S	.	.	H	α-helix	trans	-68.4	-39.3	177.1	-70.2	-26.3	0	0	0	111.7	D113 D114 V115 L119 G120 N121	D113-N117 WeakPolarHBondContact O-CB 3.49Å; D113-N117 PolarHBondContact O-N 2.9Å; D113-N117 PolarHBondContact O-ND2 3.07Å; D113-N117 VanDerWaalsContact O-ND2 3.07Å; D114-N117 PolarHBondContact O-N 2.7Å; V115-N117 VanDerWaalsContact C-N 3.32Å; V115-N117 PolarHBondContact O-N 3.38Å; N117-L119 VanDerWaalsContact C-N 3.33Å; N117-G120 PolarHBondContact O-N 3.46Å; N117-N121 PolarHBondContact O-N 3.19Å; N117-N121 PolarHBondContact O-ND2 3.11Å
118	T	90.6	Very high	88.9	Confident	1 Å²	1	47 Å²	47	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-44.2	175.5	-57.5	0	0	0	0	110.8	Y81 Y82 D114 V115 G120 N121 E122 L131	Y81-T118 HydrophobicContact CD1-CG2 3.7Å; Y81-T118 HydrophobicContact CE1-CG2 3.25Å; Y81-T118 HydrophobicContact CE2-CG2 4.16Å; Y81-T118 HydrophobicContact CG-CG2 4.37Å; Y81-T118 VanDerWaalsContact CZ-CG2 3.48Å; Y82-T118 PolarHBondContact OH-OG1 3.17Å; Y82-T118 VanDerWaalsContact OH-OG1 3.08Å; D114-T118 WeakPolarHBondContact O-CB 3.35Å; D114-T118 PolarHBondContact O-N 3.19Å; D114-T118 PolarHBondContact O-OG1 3.44Å; V115-T118 PolarHBondContact O-N 3.36Å; T118-G120 PolarHBondContact O-N 3.28Å; T118-N121 PolarHBondContact O-N 3.03Å; T118-E122 PolarHBondContact O-N 3.48Å; T118-L131 HydrophobicContact CG2-CD1 4.08Å; T118-L131 HydrophobicContact CG2-CD2 4.23Å
119	L	90.8	Very high	89.1	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-43.1	175.3	-179.8	87.3	0	0	0	112.9	V115 I116 N117 N121 E122 L128 L131 M132 L135 V155 L159	V115-L119 WeakPolarHBondContact O-CB 3.49Å; V115-L119 PolarHBondContact O-N 3.13Å; I116-L119 WeakPolarHBondContact O-CB 3.11Å; I116-L119 PolarHBondContact O-N 2.96Å; N117-L119 VanDerWaalsContact C-N 3.33Å; L119-N121 PolarHBondContact O-N 3.14Å; L119-E122 PolarHBondContact O-N 2.97Å; L119-L128 HydrophobicContact CD1-CD2 3.67Å; L119-L128 HydrophobicContact CG-CD2 4.16Å; L119-L128 WeakPolarHBondContact O-CD2 3.01Å; L119-L131 HydrophobicContact CB-CD1 4.32Å; L119-L131 HydrophobicContact CD1-CB 3.69Å; L119-L131 HydrophobicContact CD1-CD1 4.25Å; L119-M132 HydrophobicContact CD1-CE 3.28Å; L119-M132 HydrophobicContact CD1-CG 4.39Å; L119-M132 HydrophobicContact CD2-CE 3.11Å; L119-M132 HydrophobicContact CG-CE 3.75Å; L119-L135 HydrophobicContact CD2-CD1 4.35Å; L119-V155 HydrophobicContact CD2-CG1 3.31Å; L119-L159 HydrophobicContact CD1-CD1 4.04Å; L119-L159 HydrophobicContact CD2-CD1 3.71Å; L119-L159 HydrophobicContact CG-CD1 4.02Å
120	G	86.4	Confident	89.6	Confident	65 Å²	65	45.9 Å²	45.9	67%	0.67	25%	0.25	S	C	*	.	H	α-helix	trans	-64.3	-21.9	179.6	0	0	0	0	0	114.6	I116 N117 T118	I116-G120 PolarHBondContact O-N 3.01Å; I116-G120 VanDerWaalsContact O-N 3.09Å; N117-G120 PolarHBondContact O-N 3.46Å; T118-G120 PolarHBondContact O-N 3.28Å
121	N	87.3	Confident	90	Very high	115 Å²	115	44.1 Å²	44.1	62%	0.615	24%	0.238	S	C	*	.	H	α-helix	trans	-100.1	-9.2	-179.2	-67.5	-25.8	0	0	0	113.4	N117 T118 L119	N117-N121 PolarHBondContact O-N 3.19Å; N117-N121 PolarHBondContact O-ND2 3.11Å; T118-N121 PolarHBondContact O-N 3.03Å; L119-N121 PolarHBondContact O-N 3.14Å
122	E	91.3	Very high	90.3	Very high	17 Å²	17	43.9 Å²	43.9	8%	0.079	24%	0.237	C	C	.	.			trans	-81.7	140.9	-174.9	-176.4	54.4	-111.4	0	0	112	Y81 R90 T118 L119 S124 V127 L128 L131	Y81-E122 PolarHBondContact OH-OE2 2.95Å; R90-E122 IonicContact CZ-OE1 3.53Å; R90-E122 IonicContact CZ-OE2 3.18Å; R90-E122 IonicContact NH1-OE1 3.45Å; R90-E122 PolarHBondContact NH1-OE1 3.49Å; R90-E122 IonicContact NH1-OE2 2.76Å; R90-E122 PolarHBondContact NH1-OE2 2.74Å; R90-E122 IonicContact NH2-OE1 3.59Å; T118-E122 PolarHBondContact O-N 3.48Å; L119-E122 PolarHBondContact O-N 2.97Å; E122-S124 WeakPolarHBondContact OE1-CB 3.42Å; E122-S124 PolarHBondContact OE1-N 2.88Å; E122-V127 HydrophobicContact CG-CB 3.86Å; E122-V127 HydrophobicContact CG-CG1 3.95Å; E122-L128 HydrophobicContact CB-CD2 3.72Å; E122-L128 HydrophobicContact CB-CG 4.18Å; E122-L128 HydrophobicContact CG-CD2 4.04Å; E122-L128 HydrophobicContact CG-CG 3.95Å; E122-L131 HydrophobicContact CB-CD1 4.21Å; E122-L131 HydrophobicContact CG-CD1 4.37Å
123	K	88.1	Confident	90.4	Very high	186 Å²	186	45.8 Å²	45.8	81%	0.809	25%	0.247	S	C	*	.			trans	-111.8	-24.3	-178.8	-60.2	-177.2	-177.7	178	0	112.9	H125	K123-H125 PolarHBondContact O-N 3.21Å
124	S	91.7	Very high	90.7	Very high	20 Å²	20	42.6 Å²	42.6	14%	0.14	23%	0.23	C	C	.	.			trans	-79	120.1	179.9	177.9	0	0	0	0	111.1	E122 Q126 V127 L128	E122-S124 WeakPolarHBondContact OE1-CB 3.42Å; E122-S124 PolarHBondContact OE1-N 2.88Å; S124-Q126 VanDerWaalsContact C-N 3.27Å; S124-Q126 PolarHBondContact O-N 3.47Å; S124-V127 PolarHBondContact O-N 3.38Å; S124-V127 VanDerWaalsContact O-N 3.13Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 3.09Å
125	H	89.9	Confident	90.9	Very high	64 Å²	64	39.2 Å²	39.2	30%	0.296	21%	0.211	S	C	.	.	H	α-helix	trans	-60.4	-33.3	179.1	-63.4	-71.7	0	0	0	113.8	K123 A129 D162 T163 N164 V167	K123-H125 PolarHBondContact O-N 3.21Å; H125-A129 WeakPolarHBondContact O-CB 3.45Å; H125-A129 PolarHBondContact O-N 3.5Å; H125-D162 IonicContact CE1-OD1 3.37Å; H125-D162 PolarHBondContact CE1-OD1 3.23Å; H125-D162 IonicContact CE1-OD2 3.71Å; H125-D162 IonicContact ND1-OD1 3.02Å; H125-D162 PolarHBondContact ND1-OD1 2.93Å; H125-D162 IonicContact ND1-OD2 3.66Å; H125-T163 PolarHBondContact CE1-OG1 3.17Å; H125-N164 HydrophobicContact CB-CB 3.61Å; H125-N164 WeakPolarHBondContact CB-ND2 3.37Å; H125-N164 VanDerWaalsContact CG-CB 3.47Å; H125-N164 WeakPolarHBondContact ND1-CB 3.38Å; H125-V167 HydrophobicContact CB-CG2 4.17Å; H125-V167 WeakPolarHBondContact O-CG2 3.43Å
126	Q	89.7	Confident	90.9	Very high	137 Å²	137	40.6 Å²	40.6	64%	0.64	22%	0.219	S	C	*	.	H	α-helix	trans	-66.4	-40.3	176.7	-70.4	-178.9	-15.6	0	0	111.5	L91 S124 Q130	L91-Q126 HydrophobicContact CD1-CB 4.09Å; S124-Q126 VanDerWaalsContact C-N 3.27Å; S124-Q126 PolarHBondContact O-N 3.47Å; Q126-Q130 PolarHBondContact O-N 3.24Å; Q126-Q130 VanDerWaalsContact O-N 3.14Å
127	V	91.8	Very high	90.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-73.8	-38.8	178.6	-172.1	0	0	0	0	110.6	Y81 R90 L91 A94 E122 S124 A129 Q130 L131	Y81-V127 HydrophobicContact CE2-CG1 4.11Å; Y81-V127 WeakPolarHBondContact OH-CG1 3.46Å; R90-V127 HydrophobicContact CB-CG1 4.31Å; R90-V127 HydrophobicContact CB-CG2 4.4Å; L91-V127 HydrophobicContact CB-CG2 4.21Å; A94-V127 HydrophobicContact CB-CG1 4.48Å; E122-V127 HydrophobicContact CG-CB 3.86Å; E122-V127 HydrophobicContact CG-CG1 3.95Å; S124-V127 PolarHBondContact O-N 3.38Å; S124-V127 VanDerWaalsContact O-N 3.13Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3Å; V127-Q130 PolarHBondContact O-N 3.44Å; V127-L131 HydrophobicContact CG1-CD1 4.22Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.21Å; V127-L131 PolarHBondContact O-N 3.25Å
128	L	92.5	Very high	90.8	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.058	20%	0.203	C	C	.	.	H	α-helix	trans	-56.8	-45.7	171.5	-74.8	172.4	0	0	0	112	L119 E122 S124 Q130 L131 M132 V167	L119-L128 HydrophobicContact CD1-CD2 3.67Å; L119-L128 HydrophobicContact CG-CD2 4.16Å; L119-L128 WeakPolarHBondContact O-CD2 3.01Å; E122-L128 HydrophobicContact CB-CD2 3.72Å; E122-L128 HydrophobicContact CB-CG 4.18Å; E122-L128 HydrophobicContact CG-CD2 4.04Å; E122-L128 HydrophobicContact CG-CG 3.95Å; S124-L128 WeakPolarHBondContact O-CG 3.35Å; S124-L128 PolarHBondContact O-N 3.09Å; L128-Q130 PolarHBondContact O-N 2.9Å; L128-L131 PolarHBondContact O-N 3.17Å; L128-M132 WeakPolarHBondContact O-CG 3.49Å; L128-M132 PolarHBondContact O-N 2.94Å; L128-V167 HydrophobicContact CB-CG2 3.88Å
129	A	90.1	Very high	90.6	Very high	17 Å²	17	37.5 Å²	37.5	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-62.7	-41.1	176.8	0	0	0	0	0	112	H125 V127 M132 D133 V167 K170	H125-A129 WeakPolarHBondContact O-CB 3.45Å; H125-A129 PolarHBondContact O-N 3.5Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3Å; A129-M132 WeakPolarHBondContact O-CB 3.39Å; A129-M132 PolarHBondContact O-N 2.87Å; A129-D133 PolarHBondContact O-N 3.41Å; A129-V167 HydrophobicContact CB-CG2 4.22Å; A129-K170 HydrophobicContact CB-CG 4.35Å
130	Q	94.3	Very high	90.3	Very high	38 Å²	38	38.3 Å²	38.3	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-68.5	-37.5	176	-175.7	58.3	63.6	0	0	112.7	L91 A94 Q126 V127 L128 D133 S134	L91-Q130 HydrophobicContact CG-CB 4.16Å; L91-Q130 HydrophobicContact CG-CG 4.26Å; A94-Q130 HydrophobicContact CB-CB 4.32Å; A94-Q130 HydrophobicContact CB-CG 3.84Å; Q126-Q130 PolarHBondContact O-N 3.24Å; Q126-Q130 VanDerWaalsContact O-N 3.14Å; V127-Q130 PolarHBondContact O-N 3.44Å; L128-Q130 PolarHBondContact O-N 2.9Å; Q130-D133 PolarHBondContact NE2-OD2 3.48Å; Q130-D133 WeakPolarHBondContact O-CB 3.39Å; Q130-D133 PolarHBondContact O-N 3.4Å; Q130-S134 PolarHBondContact O-N 2.89Å; Q130-S134 PolarHBondContact O-OG 3.49Å; Q130-S134 VanDerWaalsContact O-OG 3.12Å
131	L	93.7	Very high	90.2	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.6	-39.1	174.5	-73.8	169.4	0	0	0	111.4	A94 V115 T118 L119 E122 V127 L128 D133 S134 L135	A94-L131 HydrophobicContact CB-CD2 3.55Å; A94-L131 HydrophobicContact CB-CG 3.83Å; V115-L131 HydrophobicContact CG1-CD2 4.14Å; T118-L131 HydrophobicContact CG2-CD1 4.08Å; T118-L131 HydrophobicContact CG2-CD2 4.23Å; L119-L131 HydrophobicContact CB-CD1 4.32Å; L119-L131 HydrophobicContact CD1-CB 3.69Å; L119-L131 HydrophobicContact CD1-CD1 4.25Å; E122-L131 HydrophobicContact CB-CD1 4.21Å; E122-L131 HydrophobicContact CG-CD1 4.37Å; V127-L131 HydrophobicContact CG1-CD1 4.22Å; V127-L131 HydrophobicContact CG1-CG 4.42Å; V127-L131 WeakPolarHBondContact O-CB 3.42Å; V127-L131 WeakPolarHBondContact O-CG 3.21Å; V127-L131 PolarHBondContact O-N 3.25Å; L128-L131 PolarHBondContact O-N 3.17Å; L131-D133 VanDerWaalsContact C-N 3.35Å; L131-S134 PolarHBondContact O-N 2.9Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.46Å
132	M	92.1	Very high	89.9	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.9	-43.5	170.3	-77.3	-65.7	102.2	0	0	112.2	L119 L128 A129 L135 L136 V155 L159 K170 L174	L119-M132 HydrophobicContact CD1-CE 3.28Å; L119-M132 HydrophobicContact CD1-CG 4.39Å; L119-M132 HydrophobicContact CD2-CE 3.11Å; L119-M132 HydrophobicContact CG-CE 3.75Å; L128-M132 WeakPolarHBondContact O-CG 3.49Å; L128-M132 PolarHBondContact O-N 2.94Å; A129-M132 WeakPolarHBondContact O-CB 3.39Å; A129-M132 PolarHBondContact O-N 2.87Å; M132-L135 HydrophobicContact CE-CD1 3.63Å; M132-L135 PolarHBondContact O-N 3.28Å; M132-L136 PolarHBondContact O-N 2.8Å; M132-V155 HydrophobicContact CE-CG1 3.79Å; M132-L159 HydrophobicContact CE-CD1 3.74Å; M132-L159 HydrophobicContact CG-CD1 4.39Å; M132-L159 HydrophobicContact SD-CD1 4.03Å; M132-K170 HydrophobicContact CB-CB 3.6Å; M132-K170 HydrophobicContact CB-CG 4.5Å; M132-K170 HydrophobicContact CG-CB 4.4Å; M132-L174 HydrophobicContact SD-CD1 4.5Å
133	D	91.6	Very high	88.9	Confident	40 Å²	40	38.7 Å²	38.7	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-42.4	175.5	-170.7	70.2	0	0	0	112	A129 Q130 L131 L135 L136 V137 K170	A129-D133 PolarHBondContact O-N 3.41Å; Q130-D133 PolarHBondContact NE2-OD2 3.48Å; Q130-D133 WeakPolarHBondContact O-CB 3.39Å; Q130-D133 PolarHBondContact O-N 3.4Å; L131-D133 VanDerWaalsContact C-N 3.35Å; D133-L135 PolarHBondContact O-N 3.45Å; D133-L136 WeakPolarHBondContact O-CB 3.26Å; D133-L136 PolarHBondContact O-N 2.88Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.48Å; D133-V137 PolarHBondContact O-N 3.44Å; D133-K170 HydrophobicContact CB-CD 4Å; D133-K170 WeakPolarHBondContact OD1-CE 3.5Å; D133-K170 IonicContact OD1-NZ 3.39Å; D133-K170 PolarHBondContact OD1-NZ 3.38Å
134	S	93.3	Very high	88.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.207	C	C	.	.	H	α-helix	trans	-64.9	-38.5	175.2	-63.1	0	0	0	0	112.4	A94 Q130 L131 V137 I138	A94-S134 WeakPolarHBondContact O-CB 3.4Å; A94-S134 PolarHBondContact O-OG 3.4Å; Q130-S134 PolarHBondContact O-N 2.89Å; Q130-S134 PolarHBondContact O-OG 3.49Å; Q130-S134 VanDerWaalsContact O-OG 3.12Å; L131-S134 PolarHBondContact O-N 2.9Å; S134-V137 PolarHBondContact O-N 3.29Å; S134-I138 WeakPolarHBondContact O-CB 3.21Å; S134-I138 WeakPolarHBondContact O-CD1 3.22Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.36Å; S134-I138 PolarHBondContact O-N 3.34Å
135	L	92.2	Very high	87.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.6	-36.4	172.9	-75.7	-179.7	0	0	0	112.7	V115 I116 L119 L131 M132 D133 I138 G139 L152 L174	V115-L135 HydrophobicContact CB-CD2 3.72Å; V115-L135 HydrophobicContact CB-CG 4.42Å; V115-L135 HydrophobicContact CG1-CD1 4.32Å; V115-L135 HydrophobicContact CG1-CD2 3.46Å; V115-L135 VanDerWaalsContact CG1-CD2 3.46Å; V115-L135 HydrophobicContact CG1-CG 3.62Å; I116-L135 HydrophobicContact CG1-CD1 4.05Å; I116-L135 HydrophobicContact CG1-CD2 4.18Å; L119-L135 HydrophobicContact CD2-CD1 4.35Å; L131-L135 WeakPolarHBondContact O-CG 3.49Å; L131-L135 PolarHBondContact O-N 3.46Å; M132-L135 HydrophobicContact CE-CD1 3.63Å; M132-L135 PolarHBondContact O-N 3.28Å; D133-L135 PolarHBondContact O-N 3.45Å; L135-I138 HydrophobicContact CD2-CD1 4.5Å; L135-I138 PolarHBondContact O-N 3.45Å; L135-G139 PolarHBondContact O-N 3.49Å; L135-L152 HydrophobicContact CB-CD2 4.19Å; L135-L152 HydrophobicContact CD1-CD2 4.13Å; L135-L152 HydrophobicContact CD2-CD2 3.84Å; L135-L152 HydrophobicContact CG-CD2 4.28Å; L135-L174 HydrophobicContact CB-CD1 4.27Å
136	L	89.7	Confident	87.2	Confident	29 Å²	29	40.2 Å²	40.2	15%	0.152	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-46.8	172.1	169	67.2	0	0	0	110.6	M132 D133 G139 G140 Q173 L174 F177	M132-L136 PolarHBondContact O-N 2.8Å; D133-L136 WeakPolarHBondContact O-CB 3.26Å; D133-L136 PolarHBondContact O-N 2.88Å; L136-G139 PolarHBondContact O-N 3.42Å; L136-G140 PolarHBondContact O-N 3.3Å; L136-Q173 HydrophobicContact CD2-CB 4.23Å; L136-L174 HydrophobicContact CD1-CB 4.5Å; L136-F177 HydrophobicContact CD1-CB 3.7Å; L136-F177 HydrophobicContact CD1-CD1 3.52Å; L136-F177 HydrophobicContact CD1-CE1 4.38Å; L136-F177 HydrophobicContact CD1-CG 3.79Å
137	V	90.6	Very high	86.8	Confident	33 Å²	33	36.5 Å²	36.5	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-48.8	176.9	174.2	0	0	0	0	111.5	G98 K102 D133 S134 G139 G140 Q141	G98-V137 WeakPolarHBondContact O-CG1 3.42Å; K102-V137 HydrophobicContact CD-CG1 4.26Å; K102-V137 HydrophobicContact CG-CG1 3.99Å; D133-V137 VanDerWaalsContact O-CG2 3.26Å; D133-V137 WeakPolarHBondContact O-CG2 3.48Å; D133-V137 PolarHBondContact O-N 3.44Å; S134-V137 PolarHBondContact O-N 3.29Å; V137-G139 PolarHBondContact O-N 3.34Å; V137-G140 PolarHBondContact O-N 3Å; V137-Q141 PolarHBondContact O-N 2.9Å
138	I	89.6	Confident	86.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.2	-46.3	178	-71.3	162.3	0	0	0	110.7	P108 V112 V115 S134 L135 G140 Q141 L142	P108-I138 HydrophobicContact CB-CG2 4.07Å; V112-I138 HydrophobicContact CG2-CG2 3.59Å; V115-I138 HydrophobicContact CG2-CD1 4.04Å; S134-I138 WeakPolarHBondContact O-CB 3.21Å; S134-I138 WeakPolarHBondContact O-CD1 3.22Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.36Å; S134-I138 PolarHBondContact O-N 3.34Å; L135-I138 HydrophobicContact CD2-CD1 4.5Å; L135-I138 PolarHBondContact O-N 3.45Å; I138-G140 PolarHBondContact O-N 3.49Å; I138-Q141 PolarHBondContact O-N 3.3Å; I138-L142 HydrophobicContact CG2-CD1 4.22Å
139	G	85.4	Confident	85.9	Confident	4 Å²	4	40 Å²	40	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-32.7	178.7	0	0	0	0	0	113.1	L135 L136 V137 Q141 L142	L135-G139 PolarHBondContact O-N 3.49Å; L136-G139 PolarHBondContact O-N 3.42Å; V137-G139 PolarHBondContact O-N 3.34Å; G139-Q141 VanDerWaalsContact C-N 3.29Å; G139-Q141 PolarHBondContact O-N 3.39Å; G139-L142 CarbonylContact O-C 3.58Å; G139-L142 PolarHBondContact O-N 2.94Å; G139-L142 VanDerWaalsContact O-N 3.17Å
140	G	84.1	Confident	85.6	Confident	28 Å²	28	45.9 Å²	45.9	29%	0.289	25%	0.248	S	C	.	.	H	α-helix	trans	-69	-22.8	174.5	0	0	0	0	0	115.1	L136 V137 I138 L142	L136-G140 PolarHBondContact O-N 3.3Å; V137-G140 PolarHBondContact O-N 3Å; I138-G140 PolarHBondContact O-N 3.49Å; G140-L142 VanDerWaalsContact C-N 3.32Å
141	Q	84.6	Confident	85.2	Confident	100 Å²	100	48.7 Å²	48.7	47%	0.467	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-9.4	172.9	-58.2	-56.6	-52.9	0	0	112.7	P108 V137 I138 G139 P143	P108-Q141 HydrophobicContact CG-CB 3.75Å; V137-Q141 PolarHBondContact O-N 2.9Å; I138-Q141 PolarHBondContact O-N 3.3Å; G139-Q141 VanDerWaalsContact C-N 3.29Å; G139-Q141 PolarHBondContact O-N 3.39Å; Q141-P143 WeakPolarHBondContact O-CD 3.4Å
142	L	82.5	Confident	84.8	Confident	24 Å²	24	48.7 Å²	48.7	13%	0.126	26%	0.257	C	S	.	.			trans	-121.3	55.6	-175.9	-61.7	171.9	0	0	0	112.8	P108 D109 V112 I138 G139 G140 E144 S145 V148	P108-L142 HydrophobicContact CG-CD1 4.15Å; P108-L142 HydrophobicContact CG-CD2 3.91Å; P108-L142 HydrophobicContact CG-CG 3.87Å; D109-L142 HydrophobicContact CB-CD1 4.14Å; D109-L142 HydrophobicContact CB-CD2 4.25Å; V112-L142 HydrophobicContact CG2-CD1 4.05Å; I138-L142 HydrophobicContact CG2-CD1 4.22Å; G139-L142 CarbonylContact O-C 3.58Å; G139-L142 PolarHBondContact O-N 2.94Å; G139-L142 VanDerWaalsContact O-N 3.17Å; G140-L142 VanDerWaalsContact C-N 3.32Å; L142-E144 PolarHBondContact O-N 3.43Å; L142-S145 PolarHBondContact O-N 3.18Å; L142-V148 HydrophobicContact CD1-CG1 4.25Å
143	P	69.8	Low	84.5	Confident	81 Å²	81	49.3 Å²	49.3	53%	0.526	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.5	-179.2	27.1	-33.9	0	0	0	113	Q141 R149	Q141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-R149 PolarHBondContact O-NH2 2.69Å
144	E	71.6	Confident	84.3	Confident	186 Å²	186	51.8 Å²	51.8	87%	0.869	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-3.7	-174.7	-59.6	-166.9	167.7	0	0	114.9	L142 P146	L142-E144 PolarHBondContact O-N 3.43Å; E144-P146 WeakPolarHBondContact O-CD 3.36Å
145	S	81.8	Confident	84	Confident	31 Å²	31	52.6 Å²	52.6	22%	0.217	28%	0.276	C	S	.	.			trans	-100.9	93.5	-177.8	-173.3	0	0	0	0	112.7	L142 A147 V148 R149	L142-S145 PolarHBondContact O-N 3.18Å; S145-A147 VanDerWaalsContact C-N 3.26Å; S145-A147 PolarHBondContact O-N 3.18Å; S145-V148 PolarHBondContact O-N 3.03Å; S145-V148 VanDerWaalsContact OG-CG2 3.32Å; S145-V148 WeakPolarHBondContact OG-CG2 3.31Å; S145-R149 PolarHBondContact O-N 3.39Å; S145-R149 VanDerWaalsContact O-N 3.12Å
146	P	80.3	Confident	83.7	Confident	84 Å²	84	52.6 Å²	52.6	55%	0.545	28%	0.276	S	S	.	.	H	α-helix	trans	-69.4	-22.6	-178.5	28.4	-36.7	0	0	0	113.2	E144 R150	E144-P146 WeakPolarHBondContact O-CD 3.36Å; P146-R150 WeakPolarHBondContact O-CB 3.49Å; P146-R150 WeakPolarHBondContact O-CG 3.31Å; P146-R150 PolarHBondContact O-N 3.26Å; P146-R150 VanDerWaalsContact O-N 3.16Å; P146-R150 PolarHBondContact O-NE 3.08Å
147	A	82	Confident	83.5	Confident	59 Å²	59	53.6 Å²	53.6	49%	0.488	28%	0.284	S	S	.	.	H	α-helix	trans	-71.7	-47.9	176.9	0	0	0	0	0	111.4	S145 R150 R151	S145-A147 VanDerWaalsContact C-N 3.26Å; S145-A147 PolarHBondContact O-N 3.18Å; A147-R150 PolarHBondContact O-N 3Å; A147-R151 PolarHBondContact O-N 3.37Å; A147-R151 VanDerWaalsContact O-N 3.11Å
148	V	82.9	Confident	83.3	Confident	15 Å²	15	59.6 Å²	59.6	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-47.2	175.8	170	0	0	0	0	110.4	D109 V112 L142 S145 R150 R151 L152	D109-V148 WeakPolarHBondContact OD1-CG2 3.41Å; V112-V148 HydrophobicContact CG1-CG1 4.11Å; V112-V148 HydrophobicContact CG2-CG1 4.06Å; L142-V148 HydrophobicContact CD1-CG1 4.25Å; S145-V148 PolarHBondContact O-N 3.03Å; S145-V148 VanDerWaalsContact OG-CG2 3.32Å; S145-V148 WeakPolarHBondContact OG-CG2 3.31Å; V148-R150 PolarHBondContact O-N 3.4Å; V148-R151 WeakPolarHBondContact O-CB 3.28Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.08Å; V148-L152 HydrophobicContact CG1-CD1 3.84Å; V148-L152 HydrophobicContact CG1-CG 4.14Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.42Å
149	R	82.1	Confident	83.1	Confident	69 Å²	69	61.2 Å²	61.2	26%	0.26	32%	0.317	S	S	.	.	H	α-helix	trans	-54.2	-50.2	177.2	-173.7	-177	-66.7	179.4	1.3	112.3	P143 S145 R151 L152 V153 L178	P143-R149 PolarHBondContact O-NH2 2.69Å; S145-R149 PolarHBondContact O-N 3.39Å; S145-R149 VanDerWaalsContact O-N 3.12Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 2.8Å; R149-L152 PolarHBondContact O-N 2.97Å; R149-V153 VanDerWaalsContact O-CG2 3.31Å; R149-V153 WeakPolarHBondContact O-CG2 3.31Å; R149-V153 PolarHBondContact O-N 2.99Å; R149-L178 WeakPolarHBondContact CD-O 3.35Å; R149-L178 HydrophobicContact CG-CB 4.11Å; R149-L178 WeakPolarHBondContact CG-O 3.17Å
150	R	83	Confident	82.9	Confident	141 Å²	141	64 Å²	64	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-58.9	-40.8	177.7	-79.2	-176.6	-70.1	167.3	-3.5	112	P146 A147 V148 V153 Q154	P146-R150 WeakPolarHBondContact O-CB 3.49Å; P146-R150 WeakPolarHBondContact O-CG 3.31Å; P146-R150 PolarHBondContact O-N 3.26Å; P146-R150 VanDerWaalsContact O-N 3.16Å; P146-R150 PolarHBondContact O-NE 3.08Å; A147-R150 PolarHBondContact O-N 3Å; V148-R150 PolarHBondContact O-N 3.4Å; R150-V153 PolarHBondContact O-N 3.41Å; R150-Q154 VanDerWaalsContact O-CG 3.28Å; R150-Q154 WeakPolarHBondContact O-CG 3.4Å; R150-Q154 PolarHBondContact O-N 3.35Å
151	R	85.3	Confident	82.8	Confident	97 Å²	97	67.9 Å²	67.9	37%	0.366	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-44	178.3	-166	174.4	179.7	174.3	-9.1	111.9	D113 I116 A147 V148 R149 Q154 V155	D113-R151 IonicContact OD1-CZ 3.08Å; D113-R151 IonicContact OD1-NE 3.63Å; D113-R151 IonicContact OD1-NH1 3.53Å; D113-R151 PolarHBondContact OD1-NH1 3.13Å; D113-R151 IonicContact OD1-NH2 3.68Å; D113-R151 PolarHBondContact OD1-NH2 3.02Å; D113-R151 IonicContact OD2-CZ 2.71Å; D113-R151 IonicContact OD2-NH1 3.73Å; D113-R151 PolarHBondContact OD2-NH1 3.39Å; D113-R151 IonicContact OD2-NH2 2.92Å; I116-R151 HydrophobicContact CD1-CG 4.02Å; A147-R151 PolarHBondContact O-N 3.37Å; A147-R151 VanDerWaalsContact O-N 3.11Å; V148-R151 WeakPolarHBondContact O-CB 3.28Å; V148-R151 PolarHBondContact O-N 2.85Å; V148-R151 VanDerWaalsContact O-N 3.08Å; R149-R151 VanDerWaalsContact C-N 3.28Å; R149-R151 PolarHBondContact O-N 2.8Å; R151-Q154 PolarHBondContact O-N 3.36Å; R151-V155 WeakPolarHBondContact O-CG2 3.39Å; R151-V155 PolarHBondContact O-N 3.4Å
152	L	87.2	Confident	82.8	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-62.8	-42	176.5	-66.2	179.1	0	0	0	111.9	V112 I116 L135 V148 R149 V155 A156 L174 L178	V112-L152 HydrophobicContact CG1-CD2 4.18Å; I116-L152 HydrophobicContact CD1-CD2 4.06Å; I116-L152 HydrophobicContact CG1-CD2 4.4Å; L135-L152 HydrophobicContact CB-CD2 4.19Å; L135-L152 HydrophobicContact CD1-CD2 4.13Å; L135-L152 HydrophobicContact CD2-CD2 3.84Å; L135-L152 HydrophobicContact CG-CD2 4.28Å; V148-L152 HydrophobicContact CG1-CD1 3.84Å; V148-L152 HydrophobicContact CG1-CG 4.14Å; V148-L152 WeakPolarHBondContact O-CG 3.39Å; V148-L152 PolarHBondContact O-N 3.42Å; R149-L152 PolarHBondContact O-N 2.97Å; L152-V155 PolarHBondContact O-N 3.02Å; L152-A156 PolarHBondContact O-N 3.13Å; L152-L174 HydrophobicContact CB-CD2 4.22Å; L152-L178 HydrophobicContact CB-CD1 3.98Å; L152-L178 HydrophobicContact CD1-CD1 3.59Å; L152-L178 HydrophobicContact CG-CD1 4.44Å
153	V	85.2	Confident	82.7	Confident	13 Å²	13	69 Å²	69	8%	0.079	37%	0.366	C	S	.	.	H	α-helix	trans	-60.7	-46	174.2	169	0	0	0	0	111.1	R149 R150 V155 A156 C157 L175 L178	R149-V153 VanDerWaalsContact O-CG2 3.31Å; R149-V153 WeakPolarHBondContact O-CG2 3.31Å; R149-V153 PolarHBondContact O-N 2.99Å; R150-V153 PolarHBondContact O-N 3.41Å; V153-V155 VanDerWaalsContact C-N 3.3Å; V153-V155 PolarHBondContact O-N 3.49Å; V153-A156 PolarHBondContact O-N 2.9Å; V153-C157 PolarHBondContact O-N 3.33Å; V153-C157 PolarHBondContact O-SG 2.91Å; V153-C157 VanDerWaalsContact O-SG 3.33Å; V153-L175 HydrophobicContact CB-CD2 4.38Å; V153-L175 HydrophobicContact CG1-CD2 3.81Å; V153-L175 HydrophobicContact CG2-CD2 4.49Å; V153-L178 HydrophobicContact CG2-CB 4.24Å
154	Q	86.3	Confident	83.4	Confident	91 Å²	91	67.8 Å²	67.8	43%	0.425	36%	0.355	S	S	.	.	H	α-helix	trans	-60.2	-39.5	176.7	-74.4	173	5	0	0	112.7	R150 R151 K158 P201	R150-Q154 VanDerWaalsContact O-CG 3.28Å; R150-Q154 WeakPolarHBondContact O-CG 3.4Å; R150-Q154 PolarHBondContact O-N 3.35Å; R151-Q154 PolarHBondContact O-N 3.36Å; Q154-K158 WeakPolarHBondContact O-CG 3.49Å; Q154-K158 PolarHBondContact O-N 3.47Å; Q154-P201 HydrophobicContact CG-CG 4.22Å
155	V	87.8	Confident	83.7	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-46.6	176.6	170.8	0	0	0	0	110.7	I116 L119 M132 R151 L152 V153 C157 K158 L159	I116-V155 HydrophobicContact CD1-CG2 4.4Å; I116-V155 HydrophobicContact CG1-CG2 4.45Å; I116-V155 HydrophobicContact CG2-CG2 4.03Å; L119-V155 HydrophobicContact CD2-CG1 3.31Å; M132-V155 HydrophobicContact CE-CG1 3.79Å; R151-V155 WeakPolarHBondContact O-CG2 3.39Å; R151-V155 PolarHBondContact O-N 3.4Å; L152-V155 PolarHBondContact O-N 3.02Å; V153-V155 VanDerWaalsContact C-N 3.3Å; V153-V155 PolarHBondContact O-N 3.49Å; V155-C157 PolarHBondContact O-N 3.28Å; V155-K158 PolarHBondContact O-N 3.01Å; V155-L159 HydrophobicContact CG1-CD1 4.4Å; V155-L159 PolarHBondContact O-N 2.88Å
156	A	86.8	Confident	83.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-39.9	178.1	0	0	0	0	0	112.6	L152 V153 K158 L159 L160 C171 L174 L175	L152-A156 PolarHBondContact O-N 3.13Å; V153-A156 PolarHBondContact O-N 2.9Å; A156-K158 VanDerWaalsContact C-N 3.31Å; A156-K158 PolarHBondContact O-N 2.92Å; A156-L159 PolarHBondContact O-N 3.32Å; A156-L160 PolarHBondContact O-N 3.18Å; A156-C171 HydrophobicContact CB-CB 4.19Å; A156-L174 HydrophobicContact CB-CB 4.45Å; A156-L174 HydrophobicContact CB-CD2 3.79Å; A156-L174 HydrophobicContact CB-CG 4.49Å; A156-L175 HydrophobicContact CB-CD2 3.99Å; A156-L175 HydrophobicContact CB-CG 3.96Å
157	C	83.9	Confident	84	Confident	49 Å²	49	56.2 Å²	56.2	33%	0.331	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-39.6	174.3	-70.6	0	0	0	0	112.3	V153 V155 L160	V153-C157 PolarHBondContact O-N 3.33Å; V153-C157 PolarHBondContact O-SG 2.91Å; V153-C157 VanDerWaalsContact O-SG 3.33Å; V155-C157 PolarHBondContact O-N 3.28Å; C157-L160 PolarHBondContact O-N 3.09Å
158	K	86.6	Confident	84.1	Confident	159 Å²	159	55.7 Å²	55.7	69%	0.691	28%	0.282	S	S	*	.	H	α-helix	trans	-66	-36.8	177.5	-73	174.6	-177.4	-178.8	0	112.8	Q154 V155 A156 S161	Q154-K158 WeakPolarHBondContact O-CG 3.49Å; Q154-K158 PolarHBondContact O-N 3.47Å; V155-K158 PolarHBondContact O-N 3.01Å; A156-K158 VanDerWaalsContact C-N 3.31Å; A156-K158 PolarHBondContact O-N 2.92Å; K158-S161 PolarHBondContact O-OG 2.86Å
159	L	85.7	Confident	84.2	Confident	35 Å²	35	56.7 Å²	56.7	18%	0.183	29%	0.287	C	S	.	.	H	α-helix	trans	-89.1	-4.4	-179	-69.9	177.5	0	0	0	113.6	L119 M132 V155 A156 S161 D162 V167 C171	L119-L159 HydrophobicContact CD1-CD1 4.04Å; L119-L159 HydrophobicContact CD2-CD1 3.71Å; L119-L159 HydrophobicContact CG-CD1 4.02Å; M132-L159 HydrophobicContact CE-CD1 3.74Å; M132-L159 HydrophobicContact CG-CD1 4.39Å; M132-L159 HydrophobicContact SD-CD1 4.03Å; V155-L159 HydrophobicContact CG1-CD1 4.4Å; V155-L159 PolarHBondContact O-N 2.88Å; A156-L159 PolarHBondContact O-N 3.32Å; L159-S161 PolarHBondContact O-N 3.13Å; L159-D162 WeakPolarHBondContact O-CB 3.43Å; L159-D162 PolarHBondContact O-N 3.38Å; L159-V167 HydrophobicContact CB-CG1 4.27Å; L159-C171 VanDerWaalsContact CB-SG 3.53Å
160	L	82.3	Confident	84.5	Confident	63 Å²	63	55.8 Å²	55.8	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-23.8	177	-168	64.5	0	0	0	112.7	A156 C157 D162 R168 C171 L172 L175	A156-L160 PolarHBondContact O-N 3.18Å; C157-L160 PolarHBondContact O-N 3.09Å; L160-D162 VanDerWaalsContact C-N 3.3Å; L160-R168 WeakPolarHBondContact O-CD 3.44Å; L160-R168 VanDerWaalsContact O-CG 3.27Å; L160-R168 WeakPolarHBondContact O-CG 3.33Å; L160-C171 HydrophobicContact CD1-CB 4.06Å; L160-L172 HydrophobicContact CD1-CD1 4.48Å; L160-L172 HydrophobicContact CD1-CD2 3.75Å; L160-L172 HydrophobicContact CD1-CG 3.72Å; L160-L175 HydrophobicContact CD2-CD1 4.26Å
161	S	81.4	Confident	84.7	Confident	108 Å²	108	49 Å²	49	76%	0.755	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	6.2	173.8	59.2	0	0	0	0	114.1	K158 L159	K158-S161 PolarHBondContact O-OG 2.86Å; L159-S161 PolarHBondContact O-N 3.13Å
162	D	83.6	Confident	84.8	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	25%	0.248	C	C	.	.			trans	-61.1	148.5	178.6	-167.5	-93.2	0	0	0	111.8	H125 L159 L160 N164 V167 R168	H125-D162 IonicContact CE1-OD1 3.37Å; H125-D162 PolarHBondContact CE1-OD1 3.23Å; H125-D162 IonicContact CE1-OD2 3.71Å; H125-D162 IonicContact ND1-OD1 3.02Å; H125-D162 PolarHBondContact ND1-OD1 2.93Å; H125-D162 IonicContact ND1-OD2 3.66Å; L159-D162 WeakPolarHBondContact O-CB 3.43Å; L159-D162 PolarHBondContact O-N 3.38Å; L160-D162 VanDerWaalsContact C-N 3.3Å; D162-N164 VanDerWaalsContact C-N 3.28Å; D162-N164 PolarHBondContact O-N 3.11Å; D162-N164 WeakPolarHBondContact OD1-CA 3.46Å; D162-N164 WeakPolarHBondContact OD1-CB 3.46Å; D162-N164 PolarHBondContact OD1-N 2.89Å; D162-V167 HydrophobicContact CB-CB 4.23Å; D162-V167 HydrophobicContact CB-CG1 3.99Å; D162-R168 HydrophobicContact CB-CG 4.45Å; D162-R168 WeakPolarHBondContact O-CD 3.47Å; D162-R168 PolarHBondContact O-NE 2.94Å
163	T	80.8	Confident	84.8	Confident	118 Å²	118	48.6 Å²	48.6	72%	0.724	26%	0.262	S	S	*	.	S	Bend	trans	-69.9	-28.4	-179.7	54.2	0	0	0	0	111.9	H125	H125-T163 PolarHBondContact CE1-OG1 3.17Å
164	N	84.3	Confident	85	Confident	55 Å²	55	48 Å²	48	29%	0.294	26%	0.259	S	S	.	.			trans	-84.8	130.5	-177.9	-169.1	-74.1	0	0	0	112	H125 D162 G166 V167 R168	H125-N164 HydrophobicContact CB-CB 3.61Å; H125-N164 WeakPolarHBondContact CB-ND2 3.37Å; H125-N164 VanDerWaalsContact CG-CB 3.47Å; H125-N164 WeakPolarHBondContact ND1-CB 3.38Å; D162-N164 VanDerWaalsContact C-N 3.28Å; D162-N164 PolarHBondContact O-N 3.11Å; D162-N164 WeakPolarHBondContact OD1-CA 3.46Å; D162-N164 WeakPolarHBondContact OD1-CB 3.46Å; D162-N164 PolarHBondContact OD1-N 2.89Å; N164-G166 WeakPolarHBondContact OD1-CA 3.22Å; N164-G166 PolarHBondContact OD1-N 2.98Å; N164-V167 HydrophobicContact CB-CG2 4.1Å; N164-R168 WeakPolarHBondContact O-CG 3.19Å; N164-R168 PolarHBondContact O-N 2.96Å
165	F	79.1	Confident	85	Confident	35 Å²	35	44.7 Å²	44.7	15%	0.154	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-39.5	179	172	-100.7	0	0	0	113.6	V167 R168 N169 P221 H224 K225	F165-V167 VanDerWaalsContact C-N 3.3Å; F165-V167 PolarHBondContact O-N 3.31Å; F165-R168 PolarHBondContact O-N 3.1Å; F165-N169 HydrophobicContact CE1-CB 3.98Å; F165-N169 HydrophobicContact CE2-CB 4.07Å; F165-N169 HydrophobicContact CZ-CB 3.54Å; F165-N169 WeakPolarHBondContact O-CB 3.5Å; F165-N169 PolarHBondContact O-N 3.27Å; F165-P221 HydrophobicContact CB-CB 4.47Å; F165-P221 WeakPolarHBondContact CD2-O 3.46Å; F165-H224 HydrophobicContact CD1-CB 3.95Å; F165-H224 HydrophobicContact CD2-CB 4.47Å; F165-H224 HydrophobicContact CE1-CB 3.1Å; F165-H224 AromaticContact CE1-CG 3.89Å; F165-H224 HydrophobicContact CE2-CB 3.78Å; F165-H224 WeakPolarHBondContact CE2-O 3.48Å; F165-H224 HydrophobicContact CZ-CB 3.02Å; F165-H224 VanDerWaalsContact CZ-O 3.27Å; F165-H224 WeakPolarHBondContact CZ-O 3.34Å; F165-K225 HydrophobicContact CD2-CB 3.95Å; F165-K225 HydrophobicContact CE2-CB 3.76Å
166	G	82.1	Confident	84.9	Confident	24 Å²	24	43.8 Å²	43.8	25%	0.247	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-38.8	-179.6	0	0	0	0	0	112.7	N164 K170	N164-G166 WeakPolarHBondContact OD1-CA 3.22Å; N164-G166 PolarHBondContact OD1-N 2.98Å; G166-K170 WeakPolarHBondContact O-CG 3.43Å; G166-K170 PolarHBondContact O-N 3.09Å
167	V	85	Confident	84.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.1	-48.8	174.4	-178.8	0	0	0	0	110.4	H125 L128 A129 L159 D162 N164 F165 N169 K170 C171	H125-V167 HydrophobicContact CB-CG2 4.17Å; H125-V167 WeakPolarHBondContact O-CG2 3.43Å; L128-V167 HydrophobicContact CB-CG2 3.88Å; A129-V167 HydrophobicContact CB-CG2 4.22Å; L159-V167 HydrophobicContact CB-CG1 4.27Å; D162-V167 HydrophobicContact CB-CB 4.23Å; D162-V167 HydrophobicContact CB-CG1 3.99Å; N164-V167 HydrophobicContact CB-CG2 4.1Å; F165-V167 VanDerWaalsContact C-N 3.3Å; F165-V167 PolarHBondContact O-N 3.31Å; V167-N169 VanDerWaalsContact C-N 3.34Å; V167-N169 PolarHBondContact O-N 3.43Å; V167-K170 PolarHBondContact O-N 3.19Å; V167-C171 PolarHBondContact O-N 3.18Å; V167-C171 PolarHBondContact O-SG 3.25Å
168	R	84.5	Confident	84.7	Confident	48 Å²	48	45.7 Å²	45.7	18%	0.181	24%	0.241	C	C	.	.	H	α-helix	trans	-60.3	-40.5	178	-68.1	-172.8	-69.9	-178.6	2.2	113	L160 D162 N164 F165 C171 L172	L160-R168 WeakPolarHBondContact O-CD 3.44Å; L160-R168 VanDerWaalsContact O-CG 3.27Å; L160-R168 WeakPolarHBondContact O-CG 3.33Å; D162-R168 HydrophobicContact CB-CG 4.45Å; D162-R168 WeakPolarHBondContact O-CD 3.47Å; D162-R168 PolarHBondContact O-NE 2.94Å; N164-R168 WeakPolarHBondContact O-CG 3.19Å; N164-R168 PolarHBondContact O-N 2.96Å; F165-R168 PolarHBondContact O-N 3.1Å; R168-C171 WeakPolarHBondContact O-CB 3.44Å; R168-C171 PolarHBondContact O-N 3.39Å; R168-L172 WeakPolarHBondContact O-CG 3.38Å; R168-L172 PolarHBondContact O-N 3.09Å
169	N	84.8	Confident	84.3	Confident	35 Å²	35	38.3 Å²	38.3	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-59	-48.4	175.9	-170.7	-6.8	0	0	0	110.9	F165 V167 C171 L172 Q173 A228	F165-N169 HydrophobicContact CE1-CB 3.98Å; F165-N169 HydrophobicContact CE2-CB 4.07Å; F165-N169 HydrophobicContact CZ-CB 3.54Å; F165-N169 WeakPolarHBondContact O-CB 3.5Å; F165-N169 PolarHBondContact O-N 3.27Å; V167-N169 VanDerWaalsContact C-N 3.34Å; V167-N169 PolarHBondContact O-N 3.43Å; N169-C171 VanDerWaalsContact C-N 3.31Å; N169-C171 PolarHBondContact O-N 3.03Å; N169-L172 PolarHBondContact O-N 3.19Å; N169-L172 VanDerWaalsContact O-N 3.16Å; N169-Q173 WeakPolarHBondContact O-CG 3.34Å; N169-Q173 PolarHBondContact O-N 3.22Å; N169-Q173 PolarHBondContact OD1-NE2 2.98Å; N169-A228 WeakPolarHBondContact OD1-CB 3.49Å
170	K	88.1	Confident	83.5	Confident	50 Å²	50	39.9 Å²	39.9	22%	0.217	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-34.9	177.4	-66.8	-67.7	178.2	-174.5	0	112.6	A129 M132 D133 G166 V167 Q173 L174	A129-K170 HydrophobicContact CB-CG 4.35Å; M132-K170 HydrophobicContact CB-CB 3.6Å; M132-K170 HydrophobicContact CB-CG 4.5Å; M132-K170 HydrophobicContact CG-CB 4.4Å; D133-K170 HydrophobicContact CB-CD 4Å; D133-K170 WeakPolarHBondContact OD1-CE 3.5Å; D133-K170 IonicContact OD1-NZ 3.39Å; D133-K170 PolarHBondContact OD1-NZ 3.38Å; G166-K170 WeakPolarHBondContact O-CG 3.43Å; G166-K170 PolarHBondContact O-N 3.09Å; V167-K170 PolarHBondContact O-N 3.19Å; K170-Q173 VanDerWaalsContact NZ-OE1 3.1Å; K170-Q173 PolarHBondContact O-N 3.37Å; K170-L174 WeakPolarHBondContact O-CB 3.25Å; K170-L174 PolarHBondContact O-N 3.36Å
171	C	88.6	Confident	82.6	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-46.5	170.9	-63.2	0	0	0	0	111.6	A156 L159 L160 V167 R168 N169 L174 L175	A156-C171 HydrophobicContact CB-CB 4.19Å; L159-C171 VanDerWaalsContact CB-SG 3.53Å; L160-C171 HydrophobicContact CD1-CB 4.06Å; V167-C171 PolarHBondContact O-N 3.18Å; V167-C171 PolarHBondContact O-SG 3.25Å; R168-C171 WeakPolarHBondContact O-CB 3.44Å; R168-C171 PolarHBondContact O-N 3.39Å; N169-C171 VanDerWaalsContact C-N 3.31Å; N169-C171 PolarHBondContact O-N 3.03Å; C171-L174 PolarHBondContact O-N 3.48Å; C171-L175 WeakPolarHBondContact O-CB 3.38Å; C171-L175 VanDerWaalsContact O-CG 3.26Å; C171-L175 WeakPolarHBondContact O-CG 3.31Å; C171-L175 PolarHBondContact O-N 3.21Å
172	L	87.1	Confident	81.2	Confident	23 Å²	23	41.2 Å²	41.2	12%	0.12	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-42.7	177.7	-71.9	168.3	0	0	0	112.1	L160 R168 N169 L174 L175 G176 A228 A229 A232	L160-L172 HydrophobicContact CD1-CD1 4.48Å; L160-L172 HydrophobicContact CD1-CD2 3.75Å; L160-L172 HydrophobicContact CD1-CG 3.72Å; R168-L172 WeakPolarHBondContact O-CG 3.38Å; R168-L172 PolarHBondContact O-N 3.09Å; N169-L172 PolarHBondContact O-N 3.19Å; N169-L172 VanDerWaalsContact O-N 3.16Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.46Å; L172-L175 PolarHBondContact O-N 3.32Å; L172-G176 PolarHBondContact O-N 3.29Å; L172-A228 HydrophobicContact CB-CB 4.37Å; L172-A228 HydrophobicContact CD1-CB 3.84Å; L172-A229 HydrophobicContact CD1-CB 4.26Å; L172-A232 HydrophobicContact CB-CB 4.17Å; L172-A232 VanDerWaalsContact O-CB 3.25Å; L172-A232 WeakPolarHBondContact O-CB 3.43Å
173	Q	87.4	Confident	78.8	Confident	66 Å²	66	45.7 Å²	45.7	31%	0.308	25%	0.247	S	C	.	.	H	α-helix	trans	-59.5	-44.2	173.8	-70.6	176	7.3	0	0	111.6	L136 N169 K170 G176 F177	L136-Q173 HydrophobicContact CD2-CB 4.23Å; N169-Q173 WeakPolarHBondContact O-CG 3.34Å; N169-Q173 PolarHBondContact O-N 3.22Å; N169-Q173 PolarHBondContact OD1-NE2 2.98Å; K170-Q173 VanDerWaalsContact NZ-OE1 3.1Å; K170-Q173 PolarHBondContact O-N 3.37Å; Q173-G176 PolarHBondContact O-N 2.66Å; Q173-F177 VanDerWaalsContact O-CB 3.32Å; Q173-F177 WeakPolarHBondContact O-CB 3.02Å; Q173-F177 PolarHBondContact O-N 3.19Å
174	L	88.3	Confident	76.6	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.25	C	C	.	.	H	α-helix	trans	-64.3	-44.3	176.3	-168.8	159.4	0	0	0	111.8	M132 L135 L136 L152 A156 K170 C171 L172 F177 L178	M132-L174 HydrophobicContact SD-CD1 4.5Å; L135-L174 HydrophobicContact CB-CD1 4.27Å; L136-L174 HydrophobicContact CD1-CB 4.5Å; L152-L174 HydrophobicContact CB-CD2 4.22Å; A156-L174 HydrophobicContact CB-CB 4.45Å; A156-L174 HydrophobicContact CB-CD2 3.79Å; A156-L174 HydrophobicContact CB-CG 4.49Å; K170-L174 WeakPolarHBondContact O-CB 3.25Å; K170-L174 PolarHBondContact O-N 3.36Å; C171-L174 PolarHBondContact O-N 3.48Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 3.46Å; L174-F177 PolarHBondContact O-N 3.4Å; L174-L178 HydrophobicContact CD2-CB 4.19Å; L174-L178 HydrophobicContact CD2-CD1 3.83Å; L174-L178 HydrophobicContact CD2-CG 4.37Å; L174-L178 HydrophobicContact CG-CD1 3.96Å; L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 2.78Å
175	L	87.4	Confident	74	Confident	21 Å²	21	51.2 Å²	51.2	11%	0.11	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-41.8	176.4	-69.4	172.6	0	0	0	111.8	V153 A156 L160 C171 L172 F177 G179 L236	V153-L175 HydrophobicContact CB-CD2 4.38Å; V153-L175 HydrophobicContact CG1-CD2 3.81Å; V153-L175 HydrophobicContact CG2-CD2 4.49Å; A156-L175 HydrophobicContact CB-CD2 3.99Å; A156-L175 HydrophobicContact CB-CG 3.96Å; L160-L175 HydrophobicContact CD2-CD1 4.26Å; C171-L175 WeakPolarHBondContact O-CB 3.38Å; C171-L175 VanDerWaalsContact O-CG 3.26Å; C171-L175 WeakPolarHBondContact O-CG 3.31Å; C171-L175 PolarHBondContact O-N 3.21Å; L172-L175 PolarHBondContact O-N 3.32Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 3.03Å; L175-G179 VanDerWaalsContact O-CA 3.24Å; L175-G179 WeakPolarHBondContact O-CA 3.4Å; L175-G179 PolarHBondContact O-N 3.41Å; L175-L236 WeakPolarHBondContact O-CD2 3.48Å
176	G	85.1	Confident	71.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-53.9	-50.4	172.3	0	0	0	0	0	112	L172 Q173 R239	L172-G176 PolarHBondContact O-N 3.29Å; Q173-G176 PolarHBondContact O-N 2.66Å; G176-R239 WeakPolarHBondContact O-CD 3.33Å; G176-R239 PolarHBondContact O-NH1 2.88Å
177	F	84.6	Confident	69.3	Low	81 Å²	81	63.9 Å²	63.9	36%	0.355	34%	0.337	S	S	.	.	H	α-helix	trans	-79.3	-33.2	-173.6	-173.3	-104.5	0	0	0	114.5	L136 Q173 L174 L175 R239	L136-F177 HydrophobicContact CD1-CB 3.7Å; L136-F177 HydrophobicContact CD1-CD1 3.52Å; L136-F177 HydrophobicContact CD1-CE1 4.38Å; L136-F177 HydrophobicContact CD1-CG 3.79Å; Q173-F177 VanDerWaalsContact O-CB 3.32Å; Q173-F177 WeakPolarHBondContact O-CB 3.02Å; Q173-F177 PolarHBondContact O-N 3.19Å; L174-F177 PolarHBondContact O-N 3.4Å; L175-F177 VanDerWaalsContact C-N 3.33Å; L175-F177 PolarHBondContact O-N 3.03Å; F177-R239 PolarHBondContact O-NE 3.17Å; F177-R239 PolarHBondContact O-NH1 3.34Å; F177-R239 VanDerWaalsContact O-NH1 3.11Å; F177-R239 PolarHBondContact O-NH2 3.02Å
178	L	82.3	Confident	66.6	Low	7 Å²	7	72 Å²	72	4%	0.037	38%	0.38	C	S	.	.	H	α-helix	trans	-116.9	-8.3	-173.4	-61.7	-176.4	0	0	0	115.3	R149 L152 V153 L174	R149-L178 WeakPolarHBondContact CD-O 3.35Å; R149-L178 HydrophobicContact CG-CB 4.11Å; R149-L178 WeakPolarHBondContact CG-O 3.17Å; L152-L178 HydrophobicContact CB-CD1 3.98Å; L152-L178 HydrophobicContact CD1-CD1 3.59Å; L152-L178 HydrophobicContact CG-CD1 4.44Å; V153-L178 HydrophobicContact CG2-CB 4.24Å; L174-L178 HydrophobicContact CD2-CB 4.19Å; L174-L178 HydrophobicContact CD2-CD1 3.83Å; L174-L178 HydrophobicContact CD2-CG 4.37Å; L174-L178 HydrophobicContact CG-CD1 3.96Å; L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 2.78Å
179	G	76.9	Confident	63.8	Low	5 Å²	5	73.4 Å²	73.4	5%	0.052	41%	0.41	C	S	.	.			trans	-54.4	151.3	-178.5	0	0	0	0	0	113.8	L175 R239	L175-G179 VanDerWaalsContact O-CA 3.24Å; L175-G179 WeakPolarHBondContact O-CA 3.4Å; L175-G179 PolarHBondContact O-N 3.41Å; G179-R239 VanDerWaalsContact O-CZ 3.27Å; G179-R239 PolarHBondContact O-NH1 3.18Å; G179-R239 PolarHBondContact O-NH2 3.28Å
180	T	70.8	Confident	61.2	Low	67 Å²	67	81.6 Å²	81.6	41%	0.411	45%	0.447	S	S	.	.			trans	-84	127.8	-177.1	48	0	0	0	0	111.2
181	V	63.4	Low	58.1	Low	59 Å²	59	82.7 Å²	82.7	36%	0.358	47%	0.473	S	S	.	.			trans	-96.1	93.6	172	-176.4	0	0	0	0	106.8	R239	V181-R239 HydrophobicContact CG2-CB 4.17Å
182	E	51.8	Low	55.8	Low	141 Å²	141	88.5 Å²	88.5	66%	0.659	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-75.9	132	172.1	-73.7	-171.8	169.9	0	0	109.9
183	T	33.3	Very low	52.9	Low	124 Å²	124	92.7 Å²	92.7	76%	0.761	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-64.3	137.8	170.7	41.6	0	0	0	0	110.2	L185	T183-L185 PolarHBondContact O-N 2.8Å
184	P	33.1	Very low	49.9	Very low	121 Å²	121	94.5 Å²	94.5	79%	0.786	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-63.8	124.7	-178.6	21.5	-25.8	0	0	0	111	T186	P184-T186 PolarHBondContact O-N 3.5Å
185	L	29.9	Very low	46.9	Very low	167 Å²	167	99.2 Å²	99.2	87%	0.874	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-55.5	121.6	172.8	-76.4	150.6	0	0	0	110.2	T183 K187	T183-L185 PolarHBondContact O-N 2.8Å; L185-K187 PolarHBondContact O-N 3.44Å
186	T	27	Very low	44.2	Very low	133 Å²	133	106.7 Å²	106.7	82%	0.816	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-59.9	126.3	161.8	40.6	0	0	0	0	109	P184 D188	P184-T186 PolarHBondContact O-N 3.5Å; T186-D188 PolarHBondContact O-N 3.37Å
187	K	36.3	Very low	41.2	Very low	192 Å²	192	109.9 Å²	109.9	84%	0.835	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-54	131	169.9	-69.8	177.1	174	179.8	0	110	L185	L185-K187 PolarHBondContact O-N 3.44Å
188	D	28.6	Very low	38.4	Very low	170 Å²	170	112 Å²	112	91%	0.909	69%	0.689	S	S	*	*				178.1	135.3	129.4	-85.8	-20.8	0	0	0	110.8	T186	T186-D188 PolarHBondContact O-N 3.37Å
189	G	25.4	Very low	35.7	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	73%	0.73	S	S	*	*			trans	133.5	91	164.5	0	0	0	0	0	115.7
190	E	28.8	Very low	33.3	Very low	207 Å²	207	128.4 Å²	128.4	97%	0.967	76%	0.76	S	S	*	*			trans	-66.5	144.4	164.7	-63.6	176.2	141.3	0	0	112.1
191	G	24.9	Very low	31.3	Very low	74 Å²	74	129.2 Å²	129.2	76%	0.763	77%	0.767	S	S	*	*			trans	149.8	141	160.3	0	0	0	0	0	115.6
192	P	39.6	Very low	29.7	Very low	121 Å²	121	129.7 Å²	129.7	79%	0.786	77%	0.77	S	S	*	*			trans	-105.2	157.3	-156.2	38.8	-31.4	0	0	0	116.3
193	S	26.3	Very low	28.7	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	76%	0.764	S	S	*	*			trans	84.1	135.7	149.4	75.5	0	0	0	0	122
194	S	23.4	Very low	28.5	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	75%	0.752	S	S	*	*			trans	95.7	102.3	153	74.8	0	0	0	0	121
195	S	26.8	Very low	28.5	Very low	99 Å²	99	124.9 Å²	124.9	69%	0.692	74%	0.741	S	S	*	*				74.2	126.4	127.9	69.7	0	0	0	0	122.8
196	L	30.6	Very low	28.4	Very low	179 Å²	179	121.7 Å²	121.7	94%	0.937	73%	0.729	S	S	*	*			trans	76.5	94.6	145.6	-68.3	148.3	0	0	0	118.5
197	G	21.7	Very low	28.6	Very low	67 Å²	67	123.7 Å²	123.7	69%	0.691	73%	0.729	S	S	*	*			trans	-168.1	146.4	161	0	0	0	0	0	111.3	K199	G197-K199 PolarHBondContact O-N 2.89Å
198	P	26.5	Very low	28.4	Very low	125 Å²	125	120.5 Å²	120.5	81%	0.812	72%	0.717	S	S	*	*			trans	-69.1	132.6	-167	28.9	-33.2	0	0	0	111.5	H200	P198-H200 PolarHBondContact O-N 2.92Å
199	K	25.4	Very low	28.6	Very low	207 Å²	207	116.7 Å²	116.7	90%	0.9	70%	0.701	S	S	*	*			trans	-52.6	111.5	178.6	-67	179	176.8	-178.3	0	110.5	G197	G197-K199 PolarHBondContact O-N 2.89Å
200	H	25.9	Very low	28.7	Very low	149 Å²	149	117.2 Å²	117.2	69%	0.69	69%	0.689	S	S	*	*			trans	-61.1	134	162.4	-91.8	-102.5	0	0	0	108.8	P198 T202	P198-H200 PolarHBondContact O-N 2.92Å; H200-T202 VanDerWaalsContact C-N 3.26Å; H200-T202 PolarHBondContact O-N 3.4Å
201	P	28.2	Very low	29	Very low	85 Å²	85	112 Å²	112	55%	0.552	67%	0.671	S	S	*	*			trans	-77.5	84.4	168.1	30.4	-28.5	0	0	0	108	Q154 V203	Q154-P201 HydrophobicContact CG-CG 4.22Å; P201-V203 PolarHBondContact O-N 3Å
202	T	29.6	Very low	29.1	Very low	68 Å²	68	115.1 Å²	115.1	42%	0.417	67%	0.666	S	S	.	*			trans	-68.5	121.8	161.6	7.5	0	0	0	0	107.4	H200 H204	H200-T202 VanDerWaalsContact C-N 3.26Å; H200-T202 PolarHBondContact O-N 3.4Å; T202-H204 VanDerWaalsContact CB-CD2 3.5Å; T202-H204 WeakPolarHBondContact CB-CD2 3.34Å; T202-H204 PolarHBondContact O-N 3.31Å; T202-H204 PolarHBondContact OG1-CD2 3.26Å; T202-H204 PolarHBondContact OG1-NE2 2.87Å
203	V	31.6	Very low	28.6	Very low	89 Å²	89	118.8 Å²	118.8	54%	0.539	67%	0.669	S	S	.	*			trans	-70.2	83.2	162.7	179.5	0	0	0	0	106.2	P201	P201-V203 PolarHBondContact O-N 3Å
204	H	29.2	Very low	28.6	Very low	110 Å²	110	118.9 Å²	118.9	51%	0.509	67%	0.665	S	S	.	*			trans	-71.6	132.5	169.6	-80.5	-74.5	0	0	0	108.3	T202 T206 E207	T202-H204 VanDerWaalsContact CB-CD2 3.5Å; T202-H204 WeakPolarHBondContact CB-CD2 3.34Å; T202-H204 PolarHBondContact O-N 3.31Å; T202-H204 PolarHBondContact OG1-CD2 3.26Å; T202-H204 PolarHBondContact OG1-NE2 2.87Å; H204-T206 PolarHBondContact O-N 3.43Å; H204-E207 PolarHBondContact O-N 3.45Å
205	P	31.9	Very low	28.9	Very low	87 Å²	87	122.4 Å²	122.4	57%	0.565	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	13.7	175.7	28.5	-33.4	0	0	0	113.8
206	T	28.8	Very low	29	Very low	99 Å²	99	125.1 Å²	125.1	61%	0.607	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-2.1	177.8	48.8	0	0	0	0	113.7	H204 H208	H204-T206 PolarHBondContact O-N 3.43Å; T206-H208 PolarHBondContact O-CD2 3.1Å; T206-H208 VanDerWaalsContact O-CD2 3.26Å; T206-H208 PolarHBondContact O-N 3.16Å
207	E	31.4	Very low	29.2	Very low	175 Å²	175	122.2 Å²	122.2	82%	0.818	66%	0.663	S	S	*	*	S	Bend	trans	-73.1	77.4	158.1	-70.6	-168.4	-178.1	0	0	107.5	H204	H204-E207 PolarHBondContact O-N 3.45Å
208	H	32.5	Very low	29.7	Very low	125 Å²	125	124 Å²	124	58%	0.579	66%	0.661	S	S	*	*			trans	-40.6	125.2	165.1	-69.7	-84.4	0	0	0	107.6	T206 T210	T206-H208 PolarHBondContact O-CD2 3.1Å; T206-H208 VanDerWaalsContact O-CD2 3.26Å; T206-H208 PolarHBondContact O-N 3.16Å; H208-T210 PolarHBondContact O-N 3.28Å
209	P	31.6	Very low	30.4	Very low	90 Å²	90	125 Å²	125	58%	0.584	66%	0.655	S	S	*	*			trans	-62.7	96.3	155.5	26.9	-27.7	0	0	0	103.9	V211	P209-V211 PolarHBondContact O-N 3.46Å
210	T	29	Very low	31.5	Very low	90 Å²	90	120.6 Å²	120.6	55%	0.552	64%	0.637	S	S	*	*			trans	-59.6	96.7	171.3	14.8	0	0	0	0	105.9	H208 H212	H208-T210 PolarHBondContact O-N 3.28Å; T210-H212 PolarHBondContact O-N 3.44Å
211	V	33.6	Very low	32.7	Very low	97 Å²	97	116 Å²	116	59%	0.588	62%	0.62	S	S	*	*			trans	-72.5	72.3	161.8	-176.1	0	0	0	0	105	P209 K213	P209-V211 PolarHBondContact O-N 3.46Å; V211-K213 PolarHBondContact O-N 2.92Å
212	H	27.9	Very low	34.3	Very low	140 Å²	140	115.8 Å²	115.8	65%	0.648	62%	0.618	S	S	*	*			trans	-66.5	121.2	163.2	-79.4	-64.7	0	0	0	106.6	T210 T214	T210-H212 PolarHBondContact O-N 3.44Å; H212-T214 VanDerWaalsContact C-N 3.26Å; H212-T214 PolarHBondContact O-N 3.37Å
213	K	27.8	Very low	35.6	Very low	197 Å²	197	113.1 Å²	113.1	86%	0.857	60%	0.601	S	S	*	*			trans	-57.6	94.1	161.1	-75.6	-179.8	174.9	-179	0	107.4	V211	V211-K213 PolarHBondContact O-N 2.92Å
214	T	26.8	Very low	37.2	Very low	113 Å²	113	112.3 Å²	112.3	69%	0.693	59%	0.592	S	S	*	*			trans	-78.4	116.7	159.7	38.6	0	0	0	0	106.8	H212 H216	H212-T214 VanDerWaalsContact C-N 3.26Å; H212-T214 PolarHBondContact O-N 3.37Å; T214-H216 PolarHBondContact O-N 3.36Å
215	E	29.1	Very low	39.3	Very low	180 Å²	180	110.6 Å²	110.6	84%	0.841	58%	0.583	S	S	*	*	S	Bend	trans	-68.5	32.6	-175.2	-63.3	-179.1	147.5	0	0	114.4
216	H	30.4	Very low	41.5	Very low	156 Å²	156	107.8 Å²	107.8	72%	0.722	56%	0.564	S	S	*	*			trans	-131.5	115.7	175.9	-65.5	-45.2	0	0	0	111	T214 T218	T214-H216 PolarHBondContact O-N 3.36Å; H216-T218 PolarHBondContact O-N 2.93Å
217	P	33.3	Very low	44	Very low	118 Å²	118	104.4 Å²	104.4	77%	0.766	54%	0.541	S	S	*	.			trans	-75.7	108.9	179.6	30.4	-29.8	0	0	0	109
218	T	33.4	Very low	46.5	Very low	103 Å²	103	96.4 Å²	96.4	63%	0.632	51%	0.505	S	S	*	.			trans	-119.7	115.4	153.2	45.7	0	0	0	0	106	H216 H220 P221	H216-T218 PolarHBondContact O-N 2.93Å; T218-H220 VanDerWaalsContact C-N 3.35Å; T218-H220 PolarHBondContact O-N 3.34Å; T218-P221 WeakPolarHBondContact O-CD 3.35Å
219	E	41.1	Very low	49	Very low	148 Å²	148	91.5 Å²	91.5	69%	0.692	49%	0.486	S	S	*	.	S	Bend	trans	-72.4	-14.5	-149	-71.5	165.7	152.9	0	0	115.4	Y259	E219-Y259 PolarHBondContact O-OH 3.29Å
220	H	48.9	Very low	51.7	Low	114 Å²	114	87.7 Å²	87.7	53%	0.528	46%	0.461	S	S	.	.	S	Bend	trans	-113.8	-30.7	-169	-70.8	-73.4	0	0	0	119.2	T218 T222 H224	T218-H220 VanDerWaalsContact C-N 3.35Å; T218-H220 PolarHBondContact O-N 3.34Å; H220-T222 PolarHBondContact O-N 3.06Å; H220-H224 PolarHBondContact O-CD2 3.29Å; H220-H224 VanDerWaalsContact O-CD2 3.27Å
221	P	51.1	Low	54.6	Low	52 Å²	52	88.6 Å²	88.6	34%	0.338	46%	0.457	S	S	.	.	H	α-helix	trans	-71.6	-26.4	-170.8	-21.5	33.3	0	0	0	115.8	F165 T218	F165-P221 HydrophobicContact CB-CB 4.47Å; F165-P221 WeakPolarHBondContact CD2-O 3.46Å; T218-P221 WeakPolarHBondContact O-CD 3.35Å
222	T	60.3	Low	57.2	Low	81 Å²	81	84.3 Å²	84.3	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-82.5	-34.1	-172.4	-49.6	0	0	0	0	112.2	H220 K225 T226	H220-T222 PolarHBondContact O-N 3.06Å; T222-K225 WeakPolarHBondContact O-CB 3.41Å; T222-K225 PolarHBondContact O-N 3.31Å; T222-T226 PolarHBondContact O-N 2.96Å; T222-T226 VanDerWaalsContact O-N 3.09Å; T222-T226 PolarHBondContact O-OG1 3.47Å
223	V	58.5	Low	60.1	Low	12 Å²	12	79.9 Å²	79.9	7%	0.073	41%	0.412	C	S	.	.	H	α-helix	trans	-63.5	-57	-178.8	178.9	0	0	0	0	110.9	K225 T226 E227 Y259 V262	V223-K225 PolarHBondContact O-N 3.01Å; V223-T226 PolarHBondContact O-N 3.25Å; V223-E227 PolarHBondContact O-N 3.25Å; V223-Y259 HydrophobicContact CB-CD1 4.41Å; V223-Y259 HydrophobicContact CB-CD2 3.99Å; V223-Y259 HydrophobicContact CB-CE2 4.26Å; V223-Y259 HydrophobicContact CB-CG 4.07Å; V223-Y259 HydrophobicContact CG1-CD1 3.64Å; V223-Y259 HydrophobicContact CG1-CD2 3.6Å; V223-Y259 HydrophobicContact CG1-CE1 4.3Å; V223-Y259 HydrophobicContact CG1-CE2 4.29Å; V223-Y259 HydrophobicContact CG1-CG 3.22Å; V223-Y259 HydrophobicContact CG2-CD1 4.15Å; V223-Y259 HydrophobicContact CG2-CD2 3.16Å; V223-Y259 HydrophobicContact CG2-CE1 4.07Å; V223-Y259 HydrophobicContact CG2-CE2 3.09Å; V223-Y259 HydrophobicContact CG2-CG 3.71Å; V223-V262 HydrophobicContact CG1-CG2 3.61Å
224	H	65.3	Low	63.1	Low	72 Å²	72	71 Å²	71	33%	0.333	37%	0.374	S	S	.	.	H	α-helix	trans	-65.1	-24.7	-178.8	-63.9	-65.3	0	0	0	111.8	F165 H220 E227 A228	F165-H224 HydrophobicContact CD1-CB 3.95Å; F165-H224 HydrophobicContact CD2-CB 4.47Å; F165-H224 HydrophobicContact CE1-CB 3.1Å; F165-H224 AromaticContact CE1-CG 3.89Å; F165-H224 HydrophobicContact CE2-CB 3.78Å; F165-H224 WeakPolarHBondContact CE2-O 3.48Å; F165-H224 HydrophobicContact CZ-CB 3.02Å; F165-H224 VanDerWaalsContact CZ-O 3.27Å; F165-H224 WeakPolarHBondContact CZ-O 3.34Å; H220-H224 PolarHBondContact O-CD2 3.29Å; H220-H224 VanDerWaalsContact O-CD2 3.27Å; H224-E227 IonicContact ND1-OE2 3.64Å; H224-A228 WeakPolarHBondContact O-CB 3.42Å; H224-A228 PolarHBondContact O-N 3.47Å
225	K	71.9	Confident	66.2	Low	74 Å²	74	68.4 Å²	68.4	32%	0.322	35%	0.354	S	S	.	.	H	α-helix	trans	-67.8	-46.3	172.2	-174	-171.9	173.1	-168.4	0	111.4	F165 T222 V223 A229	F165-K225 HydrophobicContact CD2-CB 3.95Å; F165-K225 HydrophobicContact CE2-CB 3.76Å; T222-K225 WeakPolarHBondContact O-CB 3.41Å; T222-K225 PolarHBondContact O-N 3.31Å; V223-K225 PolarHBondContact O-N 3.01Å; K225-A229 VanDerWaalsContact O-CB 3.24Å; K225-A229 WeakPolarHBondContact O-CB 3.5Å; K225-A229 PolarHBondContact O-N 2.92Å
226	T	79.2	Confident	68.9	Low	28 Å²	28	60.8 Å²	60.8	17%	0.172	32%	0.319	C	S	.	.	H	α-helix	trans	-65.8	-45.9	178.6	-54.1	0	0	0	0	110.9	T222 V223 A229 L230 L254 V262	T222-T226 PolarHBondContact O-N 2.96Å; T222-T226 VanDerWaalsContact O-N 3.09Å; T222-T226 PolarHBondContact O-OG1 3.47Å; V223-T226 PolarHBondContact O-N 3.25Å; T226-A229 PolarHBondContact O-N 3.37Å; T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.4Å; T226-L254 HydrophobicContact CG2-CD1 3.73Å; T226-L254 HydrophobicContact CG2-CD2 3.76Å; T226-L254 HydrophobicContact CG2-CG 4.4Å; T226-V262 HydrophobicContact CG2-CG1 3.94Å
227	E	81.7	Confident	71.7	Confident	27 Å²	27	55.7 Å²	55.7	13%	0.126	30%	0.295	C	S	.	.	H	α-helix	trans	-58	-52.2	174.6	-173.5	-156.7	159.6	0	0	112	V223 H224 A229 L230 K231 Q261 V262	V223-E227 PolarHBondContact O-N 3.25Å; H224-E227 IonicContact ND1-OE2 3.64Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 3.41Å; E227-L230 PolarHBondContact O-N 2.91Å; E227-K231 HydrophobicContact CG-CD 4.27Å; E227-K231 WeakPolarHBondContact O-CB 3.27Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.47Å; E227-K231 WeakPolarHBondContact OE1-CE 3.47Å; E227-K231 IonicContact OE1-NZ 3.12Å; E227-K231 PolarHBondContact OE1-NZ 3.25Å; E227-Q261 HydrophobicContact CG-CB 4.04Å; E227-V262 HydrophobicContact CB-CG2 4.1Å
228	A	82.3	Confident	74.4	Confident	7 Å²	7	57.7 Å²	57.7	6%	0.058	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-35.5	-179.7	0	0	0	0	0	112.2	N169 L172 H224 A232	N169-A228 WeakPolarHBondContact OD1-CB 3.49Å; L172-A228 HydrophobicContact CB-CB 4.37Å; L172-A228 HydrophobicContact CD1-CB 3.84Å; H224-A228 WeakPolarHBondContact O-CB 3.42Å; H224-A228 PolarHBondContact O-N 3.47Å; A228-A232 VanDerWaalsContact O-CB 3.28Å; A228-A232 WeakPolarHBondContact O-CB 3.46Å; A228-A232 PolarHBondContact O-N 3.46Å
229	A	86.2	Confident	76.9	Confident	23 Å²	23	56.5 Å²	56.5	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-46.3	176.4	0	0	0	0	0	111.5	L172 K225 T226 E227 A232 M233	L172-A229 HydrophobicContact CD1-CB 4.26Å; K225-A229 VanDerWaalsContact O-CB 3.24Å; K225-A229 WeakPolarHBondContact O-CB 3.5Å; K225-A229 PolarHBondContact O-N 2.92Å; T226-A229 PolarHBondContact O-N 3.37Å; E227-A229 VanDerWaalsContact C-N 3.28Å; E227-A229 PolarHBondContact O-N 3.41Å; A229-A232 PolarHBondContact O-N 2.93Å; A229-M233 WeakPolarHBondContact O-CG 3.45Å; A229-M233 PolarHBondContact O-N 3.19Å
230	L	88.4	Confident	79	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-47.8	175.6	-72.7	177.7	0	0	0	111.4	T226 E227 A232 M233 L234 L254 A265 A266 M269	T226-L230 WeakPolarHBondContact O-CG 3.49Å; T226-L230 PolarHBondContact O-N 3.4Å; E227-L230 PolarHBondContact O-N 2.91Å; L230-A232 VanDerWaalsContact C-N 3.35Å; L230-A232 PolarHBondContact O-N 3.48Å; L230-M233 PolarHBondContact O-N 2.93Å; L230-L234 VanDerWaalsContact O-CG 3.32Å; L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 3.32Å; L230-L254 HydrophobicContact CD1-CD1 3.9Å; L230-L254 HydrophobicContact CD2-CD1 4.3Å; L230-L254 HydrophobicContact CG-CD1 4.39Å; L230-A265 HydrophobicContact CB-CB 3.95Å; L230-A265 HydrophobicContact CD1-CB 3.8Å; L230-A266 HydrophobicContact CD1-CB 4.39Å; L230-M269 HydrophobicContact CD2-CB 4.2Å; L230-M269 HydrophobicContact CD2-CE 3.77Å; L230-M269 HydrophobicContact CD2-CG 4.07Å
231	K	89.8	Confident	80.7	Confident	108 Å²	108	48.9 Å²	48.9	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-59.7	-42.8	177.2	-75.7	-179.7	173.6	175.3	0	112.3	E227 M233 L234 Q235	E227-K231 HydrophobicContact CG-CD 4.27Å; E227-K231 WeakPolarHBondContact O-CB 3.27Å; E227-K231 WeakPolarHBondContact O-CG 3.35Å; E227-K231 PolarHBondContact O-N 3.47Å; E227-K231 WeakPolarHBondContact OE1-CE 3.47Å; E227-K231 IonicContact OE1-NZ 3.12Å; E227-K231 PolarHBondContact OE1-NZ 3.25Å; K231-M233 VanDerWaalsContact C-N 3.35Å; K231-M233 PolarHBondContact O-N 2.84Å; K231-L234 PolarHBondContact O-N 3.38Å; K231-Q235 WeakPolarHBondContact O-CB 3.39Å; K231-Q235 PolarHBondContact O-N 3.18Å
232	A	88.2	Confident	82.4	Confident	7 Å²	7	54.1 Å²	54.1	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-63.1	-40.9	176.6	0	0	0	0	0	112.2	L172 A228 A229 L230 Q235 L236	L172-A232 HydrophobicContact CB-CB 4.17Å; L172-A232 VanDerWaalsContact O-CB 3.25Å; L172-A232 WeakPolarHBondContact O-CB 3.43Å; A228-A232 VanDerWaalsContact O-CB 3.28Å; A228-A232 WeakPolarHBondContact O-CB 3.46Å; A228-A232 PolarHBondContact O-N 3.46Å; A229-A232 PolarHBondContact O-N 2.93Å; L230-A232 VanDerWaalsContact C-N 3.35Å; L230-A232 PolarHBondContact O-N 3.48Å; A232-Q235 PolarHBondContact O-N 3.47Å; A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.07Å
233	M	89.1	Confident	83.8	Confident	48 Å²	48	50.4 Å²	50.4	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-66.5	-41.9	176.4	-71.4	174.3	64.4	0	0	112.5	A229 L230 K231 L236 H237 I243 I247 M269	A229-M233 WeakPolarHBondContact O-CG 3.45Å; A229-M233 PolarHBondContact O-N 3.19Å; L230-M233 PolarHBondContact O-N 2.93Å; K231-M233 VanDerWaalsContact C-N 3.35Å; K231-M233 PolarHBondContact O-N 2.84Å; M233-L236 PolarHBondContact O-N 2.94Å; M233-H237 PolarHBondContact O-N 3.04Å; M233-I243 HydrophobicContact CE-CG2 4.01Å; M233-I247 HydrophobicContact CE-CD1 3.42Å; M233-I247 VanDerWaalsContact CE-CD1 3.42Å; M233-I247 HydrophobicContact CE-CG1 4.27Å; M233-I247 HydrophobicContact CE-CG2 4.24Å; M233-M269 HydrophobicContact CB-CE 3.74Å; M233-M269 HydrophobicContact CE-CE 4.24Å
234	L	91.1	Very high	85.2	Confident	11 Å²	11	55 Å²	55	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-44.1	174.8	-70.7	167.6	0	0	0	111.1	L230 K231 L236 H237 E238 Q268 M269 V272	L230-L234 VanDerWaalsContact O-CG 3.32Å; L230-L234 WeakPolarHBondContact O-CG 3.21Å; L230-L234 PolarHBondContact O-N 3.32Å; K231-L234 PolarHBondContact O-N 3.38Å; L234-L236 PolarHBondContact O-N 2.91Å; L234-H237 WeakPolarHBondContact O-CA 3.15Å; L234-H237 VanDerWaalsContact O-CB 3.31Å; L234-H237 WeakPolarHBondContact O-CB 3.3Å; L234-H237 PolarHBondContact O-N 3.09Å; L234-E238 WeakPolarHBondContact O-CG 3.38Å; L234-E238 PolarHBondContact O-N 3.11Å; L234-Q268 HydrophobicContact CD1-CB 3.76Å; L234-Q268 HydrophobicContact CD2-CB 4.33Å; L234-M269 HydrophobicContact CD2-CE 3.98Å; L234-M269 HydrophobicContact CD2-SD 4.35Å; L234-M269 HydrophobicContact CG-CE 3.83Å; L234-V272 HydrophobicContact CD2-CB 4.32Å; L234-V272 HydrophobicContact CD2-CG2 3.64Å
235	Q	90.1	Very high	86.4	Confident	57 Å²	57	54.3 Å²	54.3	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-38.1	177	-169.7	175.1	30.7	0	0	112.8	K231 A232 H237 E238 R239	K231-Q235 WeakPolarHBondContact O-CB 3.39Å; K231-Q235 PolarHBondContact O-N 3.18Å; A232-Q235 PolarHBondContact O-N 3.47Å; Q235-H237 VanDerWaalsContact C-N 3.27Å; Q235-H237 PolarHBondContact O-N 3.15Å; Q235-E238 PolarHBondContact O-N 3.06Å; Q235-R239 WeakPolarHBondContact O-CD 3.26Å; Q235-R239 VanDerWaalsContact O-CG 3.29Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.05Å
236	L	87.1	Confident	87.2	Confident	21 Å²	21	56.3 Å²	56.3	11%	0.11	28%	0.283	C	S	.	.	H	α-helix	trans	-63.5	-36.5	171.7	-76.4	167.5	0	0	0	111.6	L175 A232 M233 L234 R239 G240 M241	L175-L236 WeakPolarHBondContact O-CD2 3.48Å; A232-L236 WeakPolarHBondContact O-CG 3.31Å; A232-L236 PolarHBondContact O-N 3.07Å; M233-L236 PolarHBondContact O-N 2.94Å; L234-L236 PolarHBondContact O-N 2.91Å; L236-R239 PolarHBondContact O-N 3.48Å; L236-G240 PolarHBondContact O-N 2.91Å; L236-M241 HydrophobicContact CB-CB 4.11Å; L236-M241 HydrophobicContact CB-CE 3.34Å; L236-M241 HydrophobicContact CB-SD 3.84Å; L236-M241 HydrophobicContact CD1-CE 3.78Å; L236-M241 HydrophobicContact CD1-SD 3.98Å; L236-M241 HydrophobicContact CG-CE 4.17Å; L236-M241 HydrophobicContact CG-SD 4.37Å; L236-M241 WeakPolarHBondContact O-CB 3.23Å; L236-M241 PolarHBondContact O-N 3.33Å
237	H	89.6	Confident	87.7	Confident	49 Å²	49	56.6 Å²	56.6	23%	0.227	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-45.2	176.8	172.8	59.5	0	0	0	112.9	M233 L234 Q235 R239 G240 M241 I243 V272	M233-H237 PolarHBondContact O-N 3.04Å; L234-H237 WeakPolarHBondContact O-CA 3.15Å; L234-H237 VanDerWaalsContact O-CB 3.31Å; L234-H237 WeakPolarHBondContact O-CB 3.3Å; L234-H237 PolarHBondContact O-N 3.09Å; Q235-H237 VanDerWaalsContact C-N 3.27Å; Q235-H237 PolarHBondContact O-N 3.15Å; H237-R239 PolarHBondContact O-N 3.44Å; H237-R239 VanDerWaalsContact O-N 3.09Å; H237-G240 WeakPolarHBondContact O-CA 3.28Å; H237-G240 PolarHBondContact O-N 3.5Å; H237-M241 VanDerWaalsContact CA-O 3.32Å; H237-M241 WeakPolarHBondContact CA-O 3.45Å; H237-M241 PolarHBondContact ND1-O 3.47Å; H237-I243 HydrophobicContact CB-CD1 3.76Å; H237-I243 HydrophobicContact CB-CG1 3.83Å; H237-V272 VanDerWaalsContact CD2-CG1 3.43Å; H237-V272 WeakPolarHBondContact CD2-CG1 3.47Å
238	E	89.8	Confident	88.2	Confident	159 Å²	159	55.9 Å²	55.9	74%	0.743	28%	0.279	S	S	*	.	H	α-helix	trans	-55.6	-28	173.2	-70.3	174.3	168.6	0	0	112.3	L234 Q235 G240	L234-E238 WeakPolarHBondContact O-CG 3.38Å; L234-E238 PolarHBondContact O-N 3.11Å; Q235-E238 PolarHBondContact O-N 3.06Å; E238-G240 VanDerWaalsContact C-N 3.32Å
239	R	85.7	Confident	88.5	Confident	78 Å²	78	61.5 Å²	61.5	29%	0.294	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.8	177.3	-64.2	169.5	66.4	-137.2	-8.7	113.8	G176 F177 G179 V181 Q235 L236 H237	G176-R239 WeakPolarHBondContact O-CD 3.33Å; G176-R239 PolarHBondContact O-NH1 2.88Å; F177-R239 PolarHBondContact O-NE 3.17Å; F177-R239 PolarHBondContact O-NH1 3.34Å; F177-R239 VanDerWaalsContact O-NH1 3.11Å; F177-R239 PolarHBondContact O-NH2 3.02Å; G179-R239 VanDerWaalsContact O-CZ 3.27Å; G179-R239 PolarHBondContact O-NH1 3.18Å; G179-R239 PolarHBondContact O-NH2 3.28Å; V181-R239 HydrophobicContact CG2-CB 4.17Å; Q235-R239 WeakPolarHBondContact O-CD 3.26Å; Q235-R239 VanDerWaalsContact O-CG 3.29Å; Q235-R239 WeakPolarHBondContact O-CG 3.36Å; Q235-R239 PolarHBondContact O-N 3.05Å; L236-R239 PolarHBondContact O-N 3.48Å; H237-R239 PolarHBondContact O-N 3.44Å; H237-R239 VanDerWaalsContact O-N 3.09Å
240	G	83.9	Confident	88.6	Confident	52 Å²	52	64 Å²	64	54%	0.536	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	109	1.4	174.5	0	0	0	0	0	115.5	L236 H237 E238	L236-G240 PolarHBondContact O-N 2.91Å; H237-G240 WeakPolarHBondContact O-CA 3.28Å; H237-G240 PolarHBondContact O-N 3.5Å; E238-G240 VanDerWaalsContact C-N 3.32Å
241	M	85.8	Confident	88.7	Confident	51 Å²	51	63.5 Å²	63.5	25%	0.251	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-70.9	132.2	175.1	-170.1	-179.3	73.4	0	0	110.6	L236 H237	L236-M241 HydrophobicContact CB-CB 4.11Å; L236-M241 HydrophobicContact CB-CE 3.34Å; L236-M241 HydrophobicContact CB-SD 3.84Å; L236-M241 HydrophobicContact CD1-CE 3.78Å; L236-M241 HydrophobicContact CD1-SD 3.98Å; L236-M241 HydrophobicContact CG-CE 4.17Å; L236-M241 HydrophobicContact CG-SD 4.37Å; L236-M241 WeakPolarHBondContact O-CB 3.23Å; L236-M241 PolarHBondContact O-N 3.33Å; H237-M241 VanDerWaalsContact CA-O 3.32Å; H237-M241 WeakPolarHBondContact CA-O 3.45Å; H237-M241 PolarHBondContact ND1-O 3.47Å
242	K	86.5	Confident	88.8	Confident	162 Å²	162	59.3 Å²	59.3	70%	0.704	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-84.3	118	171.6	-67.6	-170.2	177.3	-172.6	0	109.8
243	I	89.2	Confident	88.9	Confident	3 Å²	3	65.7 Å²	65.7	2%	0.015	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-73.8	132.9	173.9	-52.7	-173.2	0	0	0	108.3	M233 H237 I247 M269 V272 L273 L276 Y277	M233-I243 HydrophobicContact CE-CG2 4.01Å; H237-I243 HydrophobicContact CB-CD1 3.76Å; H237-I243 HydrophobicContact CB-CG1 3.83Å; I243-I247 HydrophobicContact CG2-CD1 3.52Å; I243-M269 HydrophobicContact CD1-CE 3.96Å; I243-M269 HydrophobicContact CD1-SD 3.58Å; I243-M269 VanDerWaalsContact CD1-SD 3.58Å; I243-M269 HydrophobicContact CG2-SD 4.17Å; I243-V272 HydrophobicContact CD1-CG1 3.95Å; I243-L273 HydrophobicContact CB-CD2 4.17Å; I243-L273 HydrophobicContact CG2-CD2 3.86Å; I243-L276 HydrophobicContact CB-CD1 4.15Å; I243-Y277 VanDerWaalsContact O-CE2 3.22Å; I243-Y277 WeakPolarHBondContact O-CE2 3.33Å; I243-Y277 PolarHBondContact O-OH 3.43Å
244	H	89	Confident	89.1	Confident	108 Å²	108	64.4 Å²	64.4	50%	0.5	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-76.5	139.6	-176.2	-150.6	-90	0	0	0	112	I246 I247	H244-I246 HydrophobicContact CB-CG2 4.21Å; H244-I246 PolarHBondContact O-N 3.38Å; H244-I247 HydrophobicContact CB-CD1 4.5Å; H244-I247 WeakPolarHBondContact O-CD1 3.19Å; H244-I247 PolarHBondContact O-N 3.34Å
245	Q	90.3	Very high	89.2	Confident	58 Å²	58	64.4 Å²	64.4	27%	0.271	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-56.1	-29.5	-176.1	-169.5	-172.1	-22.2	0	0	114.1	I247 Y248 Y277 S280 L293	Q245-I247 PolarHBondContact O-N 2.92Å; Q245-Y248 WeakPolarHBondContact O-CB 3.49Å; Q245-Y248 PolarHBondContact O-N 3.23Å; Q245-Y277 HydrophobicContact CB-CD1 4.43Å; Q245-Y277 HydrophobicContact CB-CD2 3.79Å; Q245-Y277 HydrophobicContact CB-CE1 4.39Å; Q245-Y277 HydrophobicContact CB-CE2 3.74Å; Q245-Y277 HydrophobicContact CB-CG 4.13Å; Q245-Y277 HydrophobicContact CG-CD2 4.02Å; Q245-Y277 HydrophobicContact CG-CE2 4.48Å; Q245-Y277 HydrophobicContact CG-CG 4.17Å; Q245-S280 PolarHBondContact NE2-OG 3.47Å; Q245-S280 PolarHBondContact OE1-OG 3.2Å; Q245-L293 HydrophobicContact CG-CD1 4.01Å
246	I	88.8	Confident	89.2	Confident	116 Å²	116	66.8 Å²	66.8	60%	0.595	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-55.7	-21.6	-178.5	-164.5	167.8	0	0	0	113.8	H244 Y248	H244-I246 HydrophobicContact CB-CG2 4.21Å; H244-I246 PolarHBondContact O-N 3.38Å; I246-Y248 VanDerWaalsContact C-N 3.26Å; I246-Y248 PolarHBondContact O-N 3.46Å
247	I	89.6	Confident	89.4	Confident	33 Å²	33	67.7 Å²	67.7	17%	0.169	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-75.4	-17	179.3	-65.2	150.8	0	0	0	111.8	M233 I243 H244 Q245 E249 Q250 A251 M269 L273	M233-I247 HydrophobicContact CE-CD1 3.42Å; M233-I247 VanDerWaalsContact CE-CD1 3.42Å; M233-I247 HydrophobicContact CE-CG1 4.27Å; M233-I247 HydrophobicContact CE-CG2 4.24Å; I243-I247 HydrophobicContact CG2-CD1 3.52Å; H244-I247 HydrophobicContact CB-CD1 4.5Å; H244-I247 WeakPolarHBondContact O-CD1 3.19Å; H244-I247 PolarHBondContact O-N 3.34Å; Q245-I247 PolarHBondContact O-N 2.92Å; I247-E249 PolarHBondContact O-N 3.3Å; I247-Q250 PolarHBondContact O-N 2.87Å; I247-Q250 VanDerWaalsContact O-N 3.12Å; I247-A251 PolarHBondContact O-N 2.91Å; I247-M269 HydrophobicContact CG2-CG 4.47Å; I247-L273 HydrophobicContact CB-CD1 4.37Å; I247-L273 HydrophobicContact CG2-CD1 4.35Å
248	Y	91.7	Very high	89.4	Confident	13 Å²	13	72.4 Å²	72.4	5%	0.051	36%	0.364	C	S	.	.	H	α-helix	trans	-56.2	-48.2	-173.7	-177.6	-107.5	0	0	0	113.6	Q245 I246 Q250 A251 C252 V270 L273 V282 L293 D296 A297	Q245-Y248 WeakPolarHBondContact O-CB 3.49Å; Q245-Y248 PolarHBondContact O-N 3.23Å; I246-Y248 VanDerWaalsContact C-N 3.26Å; I246-Y248 PolarHBondContact O-N 3.46Å; Y248-Q250 VanDerWaalsContact C-N 3.3Å; Y248-Q250 PolarHBondContact O-N 2.7Å; Y248-A251 PolarHBondContact O-N 2.87Å; Y248-C252 VanDerWaalsContact CZ-SG 3.58Å; Y248-C252 PolarHBondContact O-N 2.92Å; Y248-C252 PolarHBondContact O-SG 3.15Å; Y248-V270 HydrophobicContact CE2-CG1 4.06Å; Y248-L273 HydrophobicContact CD2-CB 3.98Å; Y248-L273 HydrophobicContact CD2-CD1 4.13Å; Y248-V282 HydrophobicContact CD1-CG1 4.26Å; Y248-V282 HydrophobicContact CE1-CG1 4.21Å; Y248-L293 HydrophobicContact CD1-CD1 4.13Å; Y248-L293 HydrophobicContact CD1-CG 4.28Å; Y248-L293 HydrophobicContact CD2-CD1 4.2Å; Y248-L293 HydrophobicContact CD2-CD2 3.99Å; Y248-L293 HydrophobicContact CD2-CG 4.18Å; Y248-L293 HydrophobicContact CE1-CD1 4.41Å; Y248-L293 HydrophobicContact CE1-CG 4.07Å; Y248-L293 HydrophobicContact CE2-CD1 4.47Å; Y248-L293 HydrophobicContact CE2-CD2 3.72Å; Y248-L293 HydrophobicContact CE2-CG 3.95Å; Y248-L293 HydrophobicContact CG-CD1 4.02Å; Y248-L293 HydrophobicContact CG-CG 4.34Å; Y248-D296 VanDerWaalsContact CE1-OD2 3.31Å; Y248-D296 WeakPolarHBondContact CE1-OD2 3.31Å; Y248-D296 PolarHBondContact OH-OD2 2.86Å; Y248-A297 HydrophobicContact CE2-CB 4.15Å; Y248-A297 WeakPolarHBondContact OH-CA 3.37Å; Y248-A297 PolarHBondContact OH-N 3.03Å
249	E	88.7	Confident	89.3	Confident	124 Å²	124	67.8 Å²	67.8	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-63.5	-39.2	179.8	-166.5	-171.6	169.6	0	0	111.4	I247 C252 R253	I247-E249 PolarHBondContact O-N 3.3Å; E249-C252 PolarHBondContact O-N 2.85Å; E249-R253 WeakPolarHBondContact O-CG 3.4Å; E249-R253 PolarHBondContact O-N 3.43Å; E249-R253 VanDerWaalsContact O-N 3.15Å; E249-R253 IonicContact OE1-CZ 3.59Å; E249-R253 IonicContact OE1-NE 3.89Å; E249-R253 IonicContact OE1-NH2 2.66Å; E249-R253 PolarHBondContact OE1-NH2 3.09Å; E249-R253 IonicContact OE2-NH2 3.67Å
250	Q	88.8	Confident	89.5	Confident	75 Å²	75	67.1 Å²	67.1	35%	0.35	34%	0.341	S	S	.	.	H	α-helix	trans	-67.4	-41.5	176.8	-172.9	58.6	34.6	0	0	111.4	I247 Y248 C252 R253 L254	I247-Q250 PolarHBondContact O-N 2.87Å; I247-Q250 VanDerWaalsContact O-N 3.12Å; Y248-Q250 VanDerWaalsContact C-N 3.3Å; Y248-Q250 PolarHBondContact O-N 2.7Å; Q250-C252 VanDerWaalsContact C-N 3.32Å; Q250-C252 PolarHBondContact O-N 3.49Å; Q250-R253 PolarHBondContact O-N 3.42Å; Q250-R253 VanDerWaalsContact OE1-NH1 3.08Å; Q250-L254 WeakPolarHBondContact O-CG 3.12Å; Q250-L254 PolarHBondContact O-N 3.25Å
251	A	91.1	Very high	89.8	Confident	1 Å²	1	68 Å²	68	1%	0.008	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-40.1	175.2	0	0	0	0	0	111.6	I247 Y248 R253 L254 L255 M269 V270 L273	I247-A251 PolarHBondContact O-N 2.91Å; Y248-A251 PolarHBondContact O-N 2.87Å; A251-R253 VanDerWaalsContact C-N 3.34Å; A251-R253 PolarHBondContact O-N 2.94Å; A251-L254 PolarHBondContact O-N 3.34Å; A251-L254 VanDerWaalsContact O-N 3.16Å; A251-L255 PolarHBondContact O-N 2.97Å; A251-M269 HydrophobicContact CB-CB 4.21Å; A251-M269 HydrophobicContact CB-CG 3.75Å; A251-V270 HydrophobicContact CB-CG2 3.85Å; A251-L273 HydrophobicContact CB-CD1 4.43Å
252	C	91.4	Very high	90.1	Very high	20 Å²	20	65.6 Å²	65.6	14%	0.135	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-40.4	175.3	-68	0	0	0	0	112.4	Y248 E249 Q250 L254 L255 K300	Y248-C252 VanDerWaalsContact CZ-SG 3.58Å; Y248-C252 PolarHBondContact O-N 2.92Å; Y248-C252 PolarHBondContact O-SG 3.15Å; E249-C252 PolarHBondContact O-N 2.85Å; Q250-C252 VanDerWaalsContact C-N 3.32Å; Q250-C252 PolarHBondContact O-N 3.49Å; C252-L254 VanDerWaalsContact C-N 3.26Å; C252-L254 PolarHBondContact O-N 3.11Å; C252-L255 WeakPolarHBondContact O-CB 3.32Å; C252-L255 WeakPolarHBondContact O-CG 3.28Å; C252-L255 PolarHBondContact O-N 3.24Å; C252-K300 HydrophobicContact CB-CD 4.31Å; C252-K300 PolarHBondContact SG-NZ 3.21Å
253	R	90.5	Very high	90.5	Very high	141 Å²	141	59.3 Å²	59.3	53%	0.532	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-32.1	176.7	-67.4	174.4	-166.1	153	-1.9	112.5	E249 Q250 A251 L255 S256	E249-R253 WeakPolarHBondContact O-CG 3.4Å; E249-R253 PolarHBondContact O-N 3.43Å; E249-R253 VanDerWaalsContact O-N 3.15Å; E249-R253 IonicContact OE1-CZ 3.59Å; E249-R253 IonicContact OE1-NE 3.89Å; E249-R253 IonicContact OE1-NH2 2.66Å; E249-R253 PolarHBondContact OE1-NH2 3.09Å; E249-R253 IonicContact OE2-NH2 3.67Å; Q250-R253 PolarHBondContact O-N 3.42Å; Q250-R253 VanDerWaalsContact OE1-NH1 3.08Å; A251-R253 VanDerWaalsContact C-N 3.34Å; A251-R253 PolarHBondContact O-N 2.94Å; R253-L255 PolarHBondContact O-N 2.78Å; R253-S256 PolarHBondContact O-N 3.08Å
254	L	92.3	Very high	90.7	Very high	20 Å²	20	60.4 Å²	60.4	11%	0.105	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-74	-9.8	179.1	-64.6	174.9	0	0	0	113.4	T226 L230 Q250 A251 C252 S256 D257 V262 A266	T226-L254 HydrophobicContact CG2-CD1 3.73Å; T226-L254 HydrophobicContact CG2-CD2 3.76Å; T226-L254 HydrophobicContact CG2-CG 4.4Å; L230-L254 HydrophobicContact CD1-CD1 3.9Å; L230-L254 HydrophobicContact CD2-CD1 4.3Å; L230-L254 HydrophobicContact CG-CD1 4.39Å; Q250-L254 WeakPolarHBondContact O-CG 3.12Å; Q250-L254 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 3.34Å; A251-L254 VanDerWaalsContact O-N 3.16Å; C252-L254 VanDerWaalsContact C-N 3.26Å; C252-L254 PolarHBondContact O-N 3.11Å; L254-S256 PolarHBondContact O-N 2.74Å; L254-D257 WeakPolarHBondContact O-CB 3.4Å; L254-D257 PolarHBondContact O-N 3.39Å; L254-V262 HydrophobicContact CB-CG1 4.28Å; L254-V262 HydrophobicContact CD2-CG1 4.16Å; L254-A266 HydrophobicContact CB-CB 3.67Å
255	L	92.5	Very high	90.9	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.058	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-67.4	-19.9	171.2	-63.2	176.3	0	0	0	112.6	A251 C252 R253 R263 A266 V267 V270 K300 M304	A251-L255 PolarHBondContact O-N 2.97Å; C252-L255 WeakPolarHBondContact O-CB 3.32Å; C252-L255 WeakPolarHBondContact O-CG 3.28Å; C252-L255 PolarHBondContact O-N 3.24Å; R253-L255 PolarHBondContact O-N 2.78Å; L255-R263 WeakPolarHBondContact O-CD 3.26Å; L255-A266 HydrophobicContact CD2-CB 3.91Å; L255-V267 HydrophobicContact CD2-CG2 3.77Å; L255-V270 HydrophobicContact CD1-CG2 4.25Å; L255-V270 HydrophobicContact CD2-CG2 4.33Å; L255-V270 HydrophobicContact CG-CG2 4.37Å; L255-K300 HydrophobicContact CD1-CB 3.88Å; L255-K300 HydrophobicContact CD1-CD 4.49Å; L255-M304 HydrophobicContact CB-SD 3.97Å; L255-M304 HydrophobicContact CD2-CG 4.19Å; L255-M304 HydrophobicContact CD2-SD 4.34Å; L255-M304 WeakPolarHBondContact O-CE 3.48Å
256	S	91.2	Very high	91.2	Very high	107 Å²	107	52.7 Å²	52.7	75%	0.748	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-108.1	21.3	177.9	-50.9	0	0	0	0	112.7	R253 L254	R253-S256 PolarHBondContact O-N 3.08Å; L254-S256 PolarHBondContact O-N 2.74Å
257	D	91.9	Very high	91.6	Very high	40 Å²	40	47.1 Å²	47.1	21%	0.214	24%	0.235	C	C	.	.			trans	-68.2	147.1	176.4	-164.6	-79.4	0	0	0	111	L254 Y259 V262 R263	L254-D257 WeakPolarHBondContact O-CB 3.4Å; L254-D257 PolarHBondContact O-N 3.39Å; D257-Y259 PolarHBondContact O-N 3.09Å; D257-Y259 VanDerWaalsContact O-N 3.15Å; D257-Y259 PolarHBondContact OD1-N 3.2Å; D257-V262 HydrophobicContact CB-CB 4.1Å; D257-V262 HydrophobicContact CB-CG1 3.79Å; D257-R263 HydrophobicContact CB-CG 4.13Å; D257-R263 WeakPolarHBondContact O-CD 3.42Å; D257-R263 VanDerWaalsContact O-CG 3.28Å; D257-R263 WeakPolarHBondContact O-CG 3.44Å; D257-R263 PolarHBondContact O-NH1 2.86Å
258	D	88	Confident	91.9	Very high	148 Å²	148	48.5 Å²	48.5	79%	0.791	24%	0.241	S	C	*	.	S	Bend	trans	-62.3	-24.7	-178.5	-62.1	-46.4	0	0	0	112.1	R263	D258-R263 VanDerWaalsContact C-NH1 3.31Å; D258-R263 PolarHBondContact O-NH1 3.5Å
259	Y	87.6	Confident	92.1	Very high	62 Å²	62	47.9 Å²	47.9	24%	0.243	24%	0.239	C	C	.	.	S	Bend	trans	-102.6	128.5	-173.3	-67.5	-94.3	0	0	0	113.8	E219 V223 D257 Q261 V262 R263	E219-Y259 PolarHBondContact O-OH 3.29Å; V223-Y259 HydrophobicContact CB-CD1 4.41Å; V223-Y259 HydrophobicContact CB-CD2 3.99Å; V223-Y259 HydrophobicContact CB-CE2 4.26Å; V223-Y259 HydrophobicContact CB-CG 4.07Å; V223-Y259 HydrophobicContact CG1-CD1 3.64Å; V223-Y259 HydrophobicContact CG1-CD2 3.6Å; V223-Y259 HydrophobicContact CG1-CE1 4.3Å; V223-Y259 HydrophobicContact CG1-CE2 4.29Å; V223-Y259 HydrophobicContact CG1-CG 3.22Å; V223-Y259 HydrophobicContact CG2-CD1 4.15Å; V223-Y259 HydrophobicContact CG2-CD2 3.16Å; V223-Y259 HydrophobicContact CG2-CE1 4.07Å; V223-Y259 HydrophobicContact CG2-CE2 3.09Å; V223-Y259 HydrophobicContact CG2-CG 3.71Å; D257-Y259 PolarHBondContact O-N 3.09Å; D257-Y259 VanDerWaalsContact O-N 3.15Å; D257-Y259 PolarHBondContact OD1-N 3.2Å; Y259-Q261 VanDerWaalsContact C-N 3.31Å; Y259-Q261 PolarHBondContact O-N 3.32Å; Y259-V262 PolarHBondContact O-N 3.28Å; Y259-R263 PolarHBondContact O-N 3.22Å; Y259-R263 VanDerWaalsContact O-N 3.1Å
260	E	91.8	Very high	92.4	Very high	65 Å²	65	42 Å²	42	30%	0.304	21%	0.211	S	C	.	.	H	α-helix	trans	-60.1	-35.5	-176.6	65.7	179.7	-176.8	0	0	113.6	V262 R263 S264 S309 V312	E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.04Å; E260-R263 PolarHBondContact O-N 3.35Å; E260-S264 VanDerWaalsContact O-CB 3.28Å; E260-S264 WeakPolarHBondContact O-CB 3.4Å; E260-S264 PolarHBondContact O-N 3.38Å; E260-S309 VanDerWaalsContact OE2-CB 3.26Å; E260-S309 WeakPolarHBondContact OE2-CB 3.48Å; E260-S309 PolarHBondContact OE2-OG 3.16Å; E260-V312 HydrophobicContact CB-CG2 4.04Å; E260-V312 WeakPolarHBondContact O-CG2 3.35Å
261	Q	90.3	Very high	92.8	Very high	71 Å²	71	42 Å²	42	33%	0.332	21%	0.208	S	C	.	.	H	α-helix	trans	-69.5	-34.3	-178.3	-59	80.7	9.1	0	0	111.3	E227 Y259 A265	E227-Q261 HydrophobicContact CG-CB 4.04Å; Y259-Q261 VanDerWaalsContact C-N 3.31Å; Y259-Q261 PolarHBondContact O-N 3.32Å; Q261-A265 WeakPolarHBondContact O-CB 3.48Å; Q261-A265 PolarHBondContact O-N 3.42Å; Q261-A265 VanDerWaalsContact O-N 3.1Å
262	V	91	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-70.6	-47.3	175.1	178.7	0	0	0	0	109.8	V223 T226 E227 L254 D257 Y259 E260 S264 A265 A266	V223-V262 HydrophobicContact CG1-CG2 3.61Å; T226-V262 HydrophobicContact CG2-CG1 3.94Å; E227-V262 HydrophobicContact CB-CG2 4.1Å; L254-V262 HydrophobicContact CB-CG1 4.28Å; L254-V262 HydrophobicContact CD2-CG1 4.16Å; D257-V262 HydrophobicContact CB-CB 4.1Å; D257-V262 HydrophobicContact CB-CG1 3.79Å; Y259-V262 PolarHBondContact O-N 3.28Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 3.04Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 3.1Å; V262-A265 PolarHBondContact O-N 3.18Å; V262-A266 VanDerWaalsContact O-CB 3.31Å; V262-A266 WeakPolarHBondContact O-CB 3.43Å; V262-A266 PolarHBondContact O-N 3.45Å
263	R	94.7	Very high	93.2	Very high	30 Å²	30	41.2 Å²	41.2	11%	0.113	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-44.2	176.2	-64.2	-161.3	-58.2	-80.2	2.7	111.9	L255 D257 D258 Y259 E260 A266 V267 M304 D307 V312	L255-R263 WeakPolarHBondContact O-CD 3.26Å; D257-R263 HydrophobicContact CB-CG 4.13Å; D257-R263 WeakPolarHBondContact O-CD 3.42Å; D257-R263 VanDerWaalsContact O-CG 3.28Å; D257-R263 WeakPolarHBondContact O-CG 3.44Å; D257-R263 PolarHBondContact O-NH1 2.86Å; D258-R263 VanDerWaalsContact C-NH1 3.31Å; D258-R263 PolarHBondContact O-NH1 3.5Å; Y259-R263 PolarHBondContact O-N 3.22Å; Y259-R263 VanDerWaalsContact O-N 3.1Å; E260-R263 PolarHBondContact O-N 3.35Å; R263-A266 WeakPolarHBondContact O-CB 3.43Å; R263-A266 PolarHBondContact O-N 3.31Å; R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 2.87Å; R263-M304 HydrophobicContact CB-CE 4.23Å; R263-D307 WeakPolarHBondContact CD-OD2 3.49Å; R263-D307 IonicContact CZ-OD1 3.53Å; R263-D307 IonicContact CZ-OD2 3.61Å; R263-D307 IonicContact NE-OD1 3.39Å; R263-D307 PolarHBondContact NE-OD1 3.05Å; R263-D307 IonicContact NE-OD2 2.77Å; R263-D307 PolarHBondContact NE-OD2 2.86Å; R263-D307 IonicContact NH2-OD1 2.78Å; R263-D307 PolarHBondContact NH2-OD1 2.94Å; R263-D307 IonicContact NH2-OD2 3.63Å; R263-V312 HydrophobicContact CB-CG1 4.29Å; R263-V312 HydrophobicContact CB-CG2 4.13Å
264	S	94.2	Very high	93.4	Very high	26 Å²	26	34.5 Å²	34.5	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-46.1	176.6	-175.3	0	0	0	0	112.4	E260 V262 A266 V267 Q268	E260-S264 VanDerWaalsContact O-CB 3.28Å; E260-S264 WeakPolarHBondContact O-CB 3.4Å; E260-S264 PolarHBondContact O-N 3.38Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 3.1Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 2.82Å; S264-V267 PolarHBondContact O-N 3.47Å; S264-Q268 PolarHBondContact O-N 3.21Å
265	A	93.3	Very high	93.5	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.025	18%	0.184	C	C	.	.	H	α-helix	trans	-67	-33.4	175.2	0	0	0	0	0	112.5	L230 Q261 V262 Q268 M269	L230-A265 HydrophobicContact CB-CB 3.95Å; L230-A265 HydrophobicContact CD1-CB 3.8Å; Q261-A265 WeakPolarHBondContact O-CB 3.48Å; Q261-A265 PolarHBondContact O-N 3.42Å; Q261-A265 VanDerWaalsContact O-N 3.1Å; V262-A265 PolarHBondContact O-N 3.18Å; A265-Q268 PolarHBondContact O-N 3.45Å; A265-M269 PolarHBondContact O-N 3.16Å
266	A	95.6	Very high	93.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-40.7	176.3	0	0	0	0	0	111.7	L230 L254 L255 V262 R263 S264 Q268 M269 V270	L230-A266 HydrophobicContact CD1-CB 4.39Å; L254-A266 HydrophobicContact CB-CB 3.67Å; L255-A266 HydrophobicContact CD2-CB 3.91Å; V262-A266 VanDerWaalsContact O-CB 3.31Å; V262-A266 WeakPolarHBondContact O-CB 3.43Å; V262-A266 PolarHBondContact O-N 3.45Å; R263-A266 WeakPolarHBondContact O-CB 3.43Å; R263-A266 PolarHBondContact O-N 3.31Å; S264-A266 VanDerWaalsContact C-N 3.32Å; S264-A266 PolarHBondContact O-N 2.82Å; A266-Q268 VanDerWaalsContact C-N 3.31Å; A266-Q268 PolarHBondContact O-N 3.46Å; A266-M269 PolarHBondContact O-N 2.83Å; A266-M269 VanDerWaalsContact O-N 3.14Å; A266-V270 WeakPolarHBondContact O-CB 3.11Å; A266-V270 WeakPolarHBondContact O-CG2 3.46Å; A266-V270 PolarHBondContact O-N 3.44Å
267	V	96.9	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-54.5	-47.6	172.1	167.6	0	0	0	0	110.9	L255 R263 S264 M269 V270 W271 I301 M304 V312 Q315 T319	L255-V267 HydrophobicContact CD2-CG2 3.77Å; R263-V267 WeakPolarHBondContact O-CG2 3.4Å; R263-V267 PolarHBondContact O-N 2.87Å; S264-V267 PolarHBondContact O-N 3.47Å; V267-M269 PolarHBondContact O-N 3.37Å; V267-V270 PolarHBondContact O-N 3.02Å; V267-W271 WeakPolarHBondContact O-CB 3.29Å; V267-W271 PolarHBondContact O-N 2.85Å; V267-I301 HydrophobicContact CG1-CG1 4.46Å; V267-I301 HydrophobicContact CG1-CG2 4.15Å; V267-M304 HydrophobicContact CG2-CB 4.04Å; V267-M304 HydrophobicContact CG2-CE 4.46Å; V267-M304 HydrophobicContact CG2-CG 3.81Å; V267-V312 HydrophobicContact CG2-CG1 4.38Å; V267-Q315 HydrophobicContact CB-CG 4.33Å; V267-Q315 HydrophobicContact CG1-CG 4.01Å; V267-T319 HydrophobicContact CG1-CG2 4.18Å; V267-T319 WeakPolarHBondContact CG1-OG1 3.39Å
268	Q	96.4	Very high	93.8	Very high	62 Å²	62	35.1 Å²	35.1	29%	0.29	17%	0.167	S	C	.	.	H	α-helix	trans	-62.8	-41.9	176.4	-70.3	-177.5	-3.8	0	0	112.6	L234 S264 A265 A266 W271 V272 Q315	L234-Q268 HydrophobicContact CD1-CB 3.76Å; L234-Q268 HydrophobicContact CD2-CB 4.33Å; S264-Q268 PolarHBondContact O-N 3.21Å; A265-Q268 PolarHBondContact O-N 3.45Å; A266-Q268 VanDerWaalsContact C-N 3.31Å; A266-Q268 PolarHBondContact O-N 3.46Å; Q268-W271 WeakPolarHBondContact O-CB 3.44Å; Q268-W271 PolarHBondContact O-N 3.22Å; Q268-V272 WeakPolarHBondContact O-CG2 3.34Å; Q268-V272 PolarHBondContact O-N 2.93Å; Q268-Q315 HydrophobicContact CG-CG 4.13Å; Q268-Q315 VanDerWaalsContact NE2-CD 3.26Å; Q268-Q315 VanDerWaalsContact NE2-OE1 3.07Å
269	M	95.5	Very high	94.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65	-44.8	178.9	-173.9	60.3	68.8	0	0	112.3	L230 M233 L234 I243 I247 A251 A265 A266 V267 W271 V272 L273	L230-M269 HydrophobicContact CD2-CB 4.2Å; L230-M269 HydrophobicContact CD2-CE 3.77Å; L230-M269 HydrophobicContact CD2-CG 4.07Å; M233-M269 HydrophobicContact CB-CE 3.74Å; M233-M269 HydrophobicContact CE-CE 4.24Å; L234-M269 HydrophobicContact CD2-CE 3.98Å; L234-M269 HydrophobicContact CD2-SD 4.35Å; L234-M269 HydrophobicContact CG-CE 3.83Å; I243-M269 HydrophobicContact CD1-CE 3.96Å; I243-M269 HydrophobicContact CD1-SD 3.58Å; I243-M269 VanDerWaalsContact CD1-SD 3.58Å; I243-M269 HydrophobicContact CG2-SD 4.17Å; I247-M269 HydrophobicContact CG2-CG 4.47Å; A251-M269 HydrophobicContact CB-CB 4.21Å; A251-M269 HydrophobicContact CB-CG 3.75Å; A265-M269 PolarHBondContact O-N 3.16Å; A266-M269 PolarHBondContact O-N 2.83Å; A266-M269 VanDerWaalsContact O-N 3.14Å; V267-M269 PolarHBondContact O-N 3.37Å; M269-W271 VanDerWaalsContact C-N 3.3Å; M269-W271 PolarHBondContact O-N 3.4Å; M269-V272 PolarHBondContact O-N 2.91Å; M269-L273 HydrophobicContact CG-CD1 4.14Å; M269-L273 WeakPolarHBondContact O-CG 3.36Å; M269-L273 PolarHBondContact O-N 3.43Å; M269-L273 HydrophobicContact SD-CD1 4.39Å
270	V	96.3	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.4	-43.3	175.4	170.4	0	0	0	0	110	Y248 A251 L255 A266 V267 L273 S274 A297 I301	Y248-V270 HydrophobicContact CE2-CG1 4.06Å; A251-V270 HydrophobicContact CB-CG2 3.85Å; L255-V270 HydrophobicContact CD1-CG2 4.25Å; L255-V270 HydrophobicContact CD2-CG2 4.33Å; L255-V270 HydrophobicContact CG-CG2 4.37Å; A266-V270 WeakPolarHBondContact O-CB 3.11Å; A266-V270 WeakPolarHBondContact O-CG2 3.46Å; A266-V270 PolarHBondContact O-N 3.44Å; V267-V270 PolarHBondContact O-N 3.02Å; V270-L273 PolarHBondContact O-N 3.47Å; V270-S274 WeakPolarHBondContact O-CB 3.34Å; V270-S274 PolarHBondContact O-N 2.85Å; V270-A297 HydrophobicContact CG1-CB 3.77Å; V270-I301 HydrophobicContact CG1-CD1 4.01Å; V270-I301 HydrophobicContact CG1-CG1 4.01Å
271	W	96.6	Very high	94.3	Very high	75 Å²	75	34 Å²	34	28%	0.284	17%	0.165	S	C	.	.	H	α-helix	trans	-59.9	-51.9	174.1	168.7	77.7	0	0	0	112.4	V267 Q268 M269 L273 S274 Q275 I301 T319 S322	V267-W271 WeakPolarHBondContact O-CB 3.29Å; V267-W271 PolarHBondContact O-N 2.85Å; Q268-W271 WeakPolarHBondContact O-CB 3.44Å; Q268-W271 PolarHBondContact O-N 3.22Å; M269-W271 VanDerWaalsContact C-N 3.3Å; M269-W271 PolarHBondContact O-N 3.4Å; W271-L273 VanDerWaalsContact C-N 3.31Å; W271-L273 PolarHBondContact O-N 2.8Å; W271-S274 WeakPolarHBondContact O-CB 3.44Å; W271-S274 PolarHBondContact O-N 2.98Å; W271-S274 VanDerWaalsContact O-N 3.08Å; W271-S274 PolarHBondContact O-OG 3.43Å; W271-Q275 HydrophobicContact CZ2-CG 4.29Å; W271-Q275 WeakPolarHBondContact O-CG 3.46Å; W271-Q275 PolarHBondContact O-N 3.36Å; W271-Q275 VanDerWaalsContact O-N 3.12Å; W271-I301 HydrophobicContact CB-CD1 3.91Å; W271-T319 HydrophobicContact CB-CG2 4.1Å; W271-T319 HydrophobicContact CD2-CG2 4.38Å; W271-T319 HydrophobicContact CG-CG2 4.04Å; W271-S322 PolarHBondContact NE1-OG 3.14Å
272	V	96.1	Very high	94.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-56	-46.2	178.7	165.9	0	0	0	0	111.4	L234 H237 I243 Q268 M269 S274 Q275 L276	L234-V272 HydrophobicContact CD2-CB 4.32Å; L234-V272 HydrophobicContact CD2-CG2 3.64Å; H237-V272 VanDerWaalsContact CD2-CG1 3.43Å; H237-V272 WeakPolarHBondContact CD2-CG1 3.47Å; I243-V272 HydrophobicContact CD1-CG1 3.95Å; Q268-V272 WeakPolarHBondContact O-CG2 3.34Å; Q268-V272 PolarHBondContact O-N 2.93Å; M269-V272 PolarHBondContact O-N 2.91Å; V272-S274 VanDerWaalsContact C-N 3.29Å; V272-S274 PolarHBondContact O-N 2.94Å; V272-Q275 PolarHBondContact O-N 2.85Å; V272-Q275 VanDerWaalsContact O-N 3.15Å; V272-L276 HydrophobicContact CG1-CD1 3.83Å; V272-L276 HydrophobicContact CG1-CG 4.31Å; V272-L276 WeakPolarHBondContact O-CG 3.36Å; V272-L276 PolarHBondContact O-N 2.83Å
273	L	94.9	Very high	93.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-35.3	179.7	-71.3	169.5	0	0	0	112.2	I243 I247 Y248 A251 M269 V270 W271 Q275 L276 Y277	I243-L273 HydrophobicContact CB-CD2 4.17Å; I243-L273 HydrophobicContact CG2-CD2 3.86Å; I247-L273 HydrophobicContact CB-CD1 4.37Å; I247-L273 HydrophobicContact CG2-CD1 4.35Å; Y248-L273 HydrophobicContact CD2-CB 3.98Å; Y248-L273 HydrophobicContact CD2-CD1 4.13Å; A251-L273 HydrophobicContact CB-CD1 4.43Å; M269-L273 HydrophobicContact CG-CD1 4.14Å; M269-L273 WeakPolarHBondContact O-CG 3.36Å; M269-L273 PolarHBondContact O-N 3.43Å; M269-L273 HydrophobicContact SD-CD1 4.39Å; V270-L273 PolarHBondContact O-N 3.47Å; W271-L273 VanDerWaalsContact C-N 3.31Å; W271-L273 PolarHBondContact O-N 2.8Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.12Å; L273-L276 PolarHBondContact O-N 2.85Å; L273-Y277 HydrophobicContact CD2-CD2 4.27Å; L273-Y277 HydrophobicContact CD2-CE2 4.11Å; L273-Y277 PolarHBondContact O-N 2.89Å
274	S	94.6	Very high	92.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.4	-35.6	173.2	81.9	0	0	0	0	113.3	V270 W271 V272 P278 L293 M323	V270-S274 WeakPolarHBondContact O-CB 3.34Å; V270-S274 PolarHBondContact O-N 2.85Å; W271-S274 WeakPolarHBondContact O-CB 3.44Å; W271-S274 PolarHBondContact O-N 2.98Å; W271-S274 VanDerWaalsContact O-N 3.08Å; W271-S274 PolarHBondContact O-OG 3.43Å; V272-S274 VanDerWaalsContact C-N 3.29Å; V272-S274 PolarHBondContact O-N 2.94Å; S274-P278 VanDerWaalsContact O-CA 3.31Å; S274-P278 WeakPolarHBondContact O-CA 3.42Å; S274-P278 WeakPolarHBondContact O-CB 3.2Å; S274-L293 VanDerWaalsContact CA-CD2 3.45Å; S274-M323 WeakPolarHBondContact OG-CE 3.35Å
275	Q	94	Very high	91.4	Very high	57 Å²	57	40.4 Å²	40.4	27%	0.266	22%	0.215	S	C	.	.	H	α-helix	trans	-79.2	-31.8	178.2	-60.1	-50.6	-54.6	0	0	112.3	W271 V272 L273	W271-Q275 HydrophobicContact CZ2-CG 4.29Å; W271-Q275 WeakPolarHBondContact O-CG 3.46Å; W271-Q275 PolarHBondContact O-N 3.36Å; W271-Q275 VanDerWaalsContact O-N 3.12Å; V272-Q275 PolarHBondContact O-N 2.85Å; V272-Q275 VanDerWaalsContact O-N 3.15Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.12Å
276	L	94.1	Very high	90	Very high	53 Å²	53	45.6 Å²	45.6	28%	0.277	25%	0.25	S	S	.	.	H	α-helix	trans	-75.2	-35	178	-73.8	176.1	0	0	0	113.1	I243 V272 L273 P278	I243-L276 HydrophobicContact CB-CD1 4.15Å; V272-L276 HydrophobicContact CG1-CD1 3.83Å; V272-L276 HydrophobicContact CG1-CG 4.31Å; V272-L276 WeakPolarHBondContact O-CG 3.36Å; V272-L276 PolarHBondContact O-N 2.83Å; L273-L276 PolarHBondContact O-N 2.85Å; L276-P278 VanDerWaalsContact C-CD 3.48Å
277	Y	94.9	Very high	88.5	Confident	61 Å²	61	46.9 Å²	46.9	24%	0.239	26%	0.26	C	S	.	.	S	Bend	trans	-133.1	52.4	-172.4	-54	-72.8	0	0	0	113.1	I243 Q245 L273 E279 S280	I243-Y277 VanDerWaalsContact O-CE2 3.22Å; I243-Y277 WeakPolarHBondContact O-CE2 3.33Å; I243-Y277 PolarHBondContact O-OH 3.43Å; Q245-Y277 HydrophobicContact CB-CD1 4.43Å; Q245-Y277 HydrophobicContact CB-CD2 3.79Å; Q245-Y277 HydrophobicContact CB-CE1 4.39Å; Q245-Y277 HydrophobicContact CB-CE2 3.74Å; Q245-Y277 HydrophobicContact CB-CG 4.13Å; Q245-Y277 HydrophobicContact CG-CD2 4.02Å; Q245-Y277 HydrophobicContact CG-CE2 4.48Å; Q245-Y277 HydrophobicContact CG-CG 4.17Å; L273-Y277 HydrophobicContact CD2-CD2 4.27Å; L273-Y277 HydrophobicContact CD2-CE2 4.11Å; L273-Y277 PolarHBondContact O-N 2.89Å; Y277-E279 PolarHBondContact O-N 3.03Å; Y277-S280 WeakPolarHBondContact O-CB 3.47Å; Y277-S280 PolarHBondContact O-N 3.48Å
278	P	93.9	Very high	87.1	Confident	20 Å²	20	55.6 Å²	55.6	13%	0.13	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-40.5	-169.3	23.2	-33.9	0	0	0	113.7	S274 L276 S280 V294	S274-P278 VanDerWaalsContact O-CA 3.31Å; S274-P278 WeakPolarHBondContact O-CA 3.42Å; S274-P278 WeakPolarHBondContact O-CB 3.2Å; L276-P278 VanDerWaalsContact C-CD 3.48Å; P278-S280 VanDerWaalsContact C-N 3.33Å; P278-S280 PolarHBondContact O-N 3.27Å; P278-V294 HydrophobicContact CB-CB 4.01Å; P278-V294 HydrophobicContact CB-CG1 4.24Å; P278-V294 WeakPolarHBondContact O-CG1 3.35Å; P278-V294 PolarHBondContact O-N 3.3Å
279	E	93	Very high	86.1	Confident	115 Å²	115	57.7 Å²	57.7	54%	0.537	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.3	-177.1	-60.7	-55.9	140.9	0	0	114	Y277 R292	Y277-E279 PolarHBondContact O-N 3.03Å; E279-R292 IonicContact OE1-NH1 3.48Å; E279-R292 PolarHBondContact OE1-NH1 2.72Å; E279-R292 WeakPolarHBondContact OE2-CD 3.36Å; E279-R292 IonicContact OE2-NH1 3.54Å; E279-R292 PolarHBondContact OE2-NH1 3.16Å
280	S	92.8	Very high	85.5	Confident	34 Å²	34	64.9 Å²	64.9	24%	0.238	35%	0.35	C	S	.	.			trans	-70.4	140.3	178.7	-157.8	0	0	0	0	110.3	Q245 Y277 P278 R292 L293	Q245-S280 PolarHBondContact NE2-OG 3.47Å; Q245-S280 PolarHBondContact OE1-OG 3.2Å; Y277-S280 WeakPolarHBondContact O-CB 3.47Å; Y277-S280 PolarHBondContact O-N 3.48Å; P278-S280 VanDerWaalsContact C-N 3.33Å; P278-S280 PolarHBondContact O-N 3.27Å; S280-R292 CarbonylContact O-C 3.54Å; S280-L293 VanDerWaalsContact O-CB 3.29Å; S280-L293 WeakPolarHBondContact O-CB 3.41Å; S280-L293 PolarHBondContact O-N 3.07Å
281	I	90.7	Very high	85.2	Confident	104 Å²	104	66.1 Å²	66.1	53%	0.533	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.5	-176.4	-60.9	175.7	0	0	0	109.2	E290 I291	I281-E290 HydrophobicContact CG2-CB 3.53Å; I281-E290 HydrophobicContact CG2-CG 3.83Å; I281-I291 WeakPolarHBondContact CA-O 3.11Å
282	V	87.6	Confident	84.9	Confident	13 Å²	13	65.8 Å²	65.8	8%	0.079	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.5	177	-64.6	0	0	0	0	110.6	Y248 I291 L293 D296	Y248-V282 HydrophobicContact CD1-CG1 4.26Å; Y248-V282 HydrophobicContact CE1-CG1 4.21Å; V282-I291 HydrophobicContact CG2-CG2 3.9Å; V282-I291 PolarHBondContact N-O 2.91Å; V282-I291 PolarHBondContact O-N 3.17Å; V282-I291 VanDerWaalsContact O-N 3.07Å; V282-L293 HydrophobicContact CG1-CB 4.2Å; V282-L293 HydrophobicContact CG1-CD1 4.03Å; V282-L293 HydrophobicContact CG1-CG 4.19Å; V282-D296 HydrophobicContact CG2-CB 3.81Å
283	P	83.4	Confident	84.8	Confident	103 Å²	103	65.6 Å²	65.6	67%	0.669	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	141	175.9	30.8	-33.6	0	0	0	110.6
284	I	74.7	Confident	84.8	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.097	35%	0.353	C	S	.	.			trans	-83.8	122.7	173.5	-58.5	179.4	0	0	0	108.5	S286 S287 E289 I291 I385	I284-S286 WeakPolarHBondContact CG2-OG 3.39Å; I284-S286 PolarHBondContact O-N 3.08Å; I284-S286 VanDerWaalsContact O-N 3.08Å; I284-S287 WeakPolarHBondContact CB-OG 3.44Å; I284-S287 PolarHBondContact O-N 2.75Å; I284-E289 HydrophobicContact CD1-CB 4.35Å; I284-E289 PolarHBondContact N-O 3.31Å; I284-E289 VanDerWaalsContact N-O 3.12Å; I284-I291 HydrophobicContact CD1-CB 4.07Å; I284-I291 HydrophobicContact CD1-CG2 3.87Å; I284-I291 HydrophobicContact CG1-CB 4.26Å; I284-I291 HydrophobicContact CG1-CG2 3.56Å; I284-I385 HydrophobicContact CD1-CG2 3.43Å; I284-I385 VanDerWaalsContact CD1-CG2 3.43Å; I284-I385 HydrophobicContact CG2-CG2 4.44Å
285	P	64.9	Low	84.7	Confident	126 Å²	126	65.8 Å²	65.8	82%	0.818	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.6	-175.3	-25.4	34.4	0	0	0	115
286	S	63.4	Low	84.5	Confident	111 Å²	111	64 Å²	64	78%	0.776	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.6	-176.2	48.2	0	0	0	0	114.5	I284	I284-S286 WeakPolarHBondContact CG2-OG 3.39Å; I284-S286 PolarHBondContact O-N 3.08Å; I284-S286 VanDerWaalsContact O-N 3.08Å
287	S	64.6	Low	84.5	Confident	28 Å²	28	61.5 Å²	61.5	20%	0.196	33%	0.334	C	S	.	.	S	Bend	trans	-143.9	162.4	178.6	67.1	0	0	0	0	111.7	I284 E289	I284-S287 WeakPolarHBondContact CB-OG 3.44Å; I284-S287 PolarHBondContact O-N 2.75Å; S287-E289 PolarHBondContact O-N 3.02Å; S287-E289 WeakPolarHBondContact OG-CB 3.5Å; S287-E289 PolarHBondContact OG-N 2.97Å
288	N	67.1	Low	84.5	Confident	183 Å²	183	58.6 Å²	58.6	98%	0.979	32%	0.322	S	S	*	.	S	Bend	trans	-81.1	23.1	170.7	-87.3	0.3	0	0	0	112.1
289	E	74.9	Confident	84.4	Confident	106 Å²	106	58.2 Å²	58.2	50%	0.495	32%	0.322	S	S	.	.			trans	-101.3	152.7	-175.9	-62	-175.7	179.5	0	0	111.6	I284 S287 I385	I284-E289 HydrophobicContact CD1-CB 4.35Å; I284-E289 PolarHBondContact N-O 3.31Å; I284-E289 VanDerWaalsContact N-O 3.12Å; S287-E289 PolarHBondContact O-N 3.02Å; S287-E289 WeakPolarHBondContact OG-CB 3.5Å; S287-E289 PolarHBondContact OG-N 2.97Å; E289-I385 HydrophobicContact CG-CD1 4.39Å; E289-I385 WeakPolarHBondContact OE1-CD1 3.49Å; E289-I385 WeakPolarHBondContact OE2-CD1 3.46Å
290	E	83.6	Confident	84.4	Confident	150 Å²	150	55.5 Å²	55.5	70%	0.701	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	136	179.8	-79.9	-175.6	174.1	0	0	109.1	I281	I281-E290 HydrophobicContact CG2-CB 3.53Å; I281-E290 HydrophobicContact CG2-CG 3.83Å
291	I	88.8	Confident	84.5	Confident	26 Å²	26	53.9 Å²	53.9	13%	0.133	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152.7	-177.4	-173.2	170	0	0	0	110.4	I281 V282 I284 D295 D296 F330	I281-I291 WeakPolarHBondContact CA-O 3.11Å; V282-I291 HydrophobicContact CG2-CG2 3.9Å; V282-I291 PolarHBondContact N-O 2.91Å; V282-I291 PolarHBondContact O-N 3.17Å; V282-I291 VanDerWaalsContact O-N 3.07Å; I284-I291 HydrophobicContact CD1-CB 4.07Å; I284-I291 HydrophobicContact CD1-CG2 3.87Å; I284-I291 HydrophobicContact CG1-CB 4.26Å; I284-I291 HydrophobicContact CG1-CG2 3.56Å; I291-D295 HydrophobicContact CD1-CB 3.83Å; I291-D295 HydrophobicContact CG1-CB 3.86Å; I291-D296 HydrophobicContact CG2-CB 3.74Å; I291-F330 HydrophobicContact CD1-CE1 4.15Å; I291-F330 HydrophobicContact CD1-CE2 3.99Å; I291-F330 HydrophobicContact CD1-CZ 3.41Å; I291-F330 VanDerWaalsContact CD1-CZ 3.41Å
292	R	91.8	Very high	84.6	Confident	68 Å²	68	49 Å²	49	26%	0.257	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	139.3	171.8	-59.9	-169.2	-59.3	160.4	6.9	110.1	E279 S280 V294 D295 D296 S327	E279-R292 IonicContact OE1-NH1 3.48Å; E279-R292 PolarHBondContact OE1-NH1 2.72Å; E279-R292 WeakPolarHBondContact OE2-CD 3.36Å; E279-R292 IonicContact OE2-NH1 3.54Å; E279-R292 PolarHBondContact OE2-NH1 3.16Å; S280-R292 CarbonylContact O-C 3.54Å; R292-V294 HydrophobicContact CB-CG1 4.27Å; R292-V294 PolarHBondContact O-N 3.4Å; R292-D295 HydrophobicContact CB-CB 4.48Å; R292-D295 IonicContact CZ-OD2 3.04Å; R292-D295 IonicContact NE-OD2 3.91Å; R292-D295 PolarHBondContact NE-OD2 3.14Å; R292-D295 IonicContact NH2-OD1 3.16Å; R292-D295 IonicContact NH2-OD2 3.16Å; R292-D295 PolarHBondContact NH2-OD2 2.79Å; R292-D295 PolarHBondContact O-N 2.71Å; R292-D296 PolarHBondContact O-N 2.65Å; R292-S327 PolarHBondContact NH2-OG 3.18Å
293	L	93.6	Very high	84.9	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-37.7	-177.1	-171.2	157.2	0	0	0	111.2	Q245 Y248 S274 S280 V282 D295 A297	Q245-L293 HydrophobicContact CG-CD1 4.01Å; Y248-L293 HydrophobicContact CD1-CD1 4.13Å; Y248-L293 HydrophobicContact CD1-CG 4.28Å; Y248-L293 HydrophobicContact CD2-CD1 4.2Å; Y248-L293 HydrophobicContact CD2-CD2 3.99Å; Y248-L293 HydrophobicContact CD2-CG 4.18Å; Y248-L293 HydrophobicContact CE1-CD1 4.41Å; Y248-L293 HydrophobicContact CE1-CG 4.07Å; Y248-L293 HydrophobicContact CE2-CD1 4.47Å; Y248-L293 HydrophobicContact CE2-CD2 3.72Å; Y248-L293 HydrophobicContact CE2-CG 3.95Å; Y248-L293 HydrophobicContact CG-CD1 4.02Å; Y248-L293 HydrophobicContact CG-CG 4.34Å; S274-L293 VanDerWaalsContact CA-CD2 3.45Å; S280-L293 VanDerWaalsContact O-CB 3.29Å; S280-L293 WeakPolarHBondContact O-CB 3.41Å; S280-L293 PolarHBondContact O-N 3.07Å; V282-L293 HydrophobicContact CG1-CB 4.2Å; V282-L293 HydrophobicContact CG1-CD1 4.03Å; V282-L293 HydrophobicContact CG1-CG 4.19Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 3.11Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.2Å
294	V	94.3	Very high	85.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.4	-39.7	175.3	67.3	0	0	0	0	112.8	P278 R292 F298 M323 Q325	P278-V294 HydrophobicContact CB-CB 4.01Å; P278-V294 HydrophobicContact CB-CG1 4.24Å; P278-V294 WeakPolarHBondContact O-CG1 3.35Å; P278-V294 PolarHBondContact O-N 3.3Å; R292-V294 HydrophobicContact CB-CG1 4.27Å; R292-V294 PolarHBondContact O-N 3.4Å; V294-F298 VanDerWaalsContact O-CB 3.25Å; V294-F298 WeakPolarHBondContact O-CB 3.37Å; V294-F298 PolarHBondContact O-N 2.95Å; V294-M323 HydrophobicContact CG2-CE 4.04Å; V294-M323 WeakPolarHBondContact O-CE 3.36Å; V294-Q325 HydrophobicContact CG2-CB 4.38Å
295	D	92.1	Very high	86.3	Confident	5 Å²	5	48.7 Å²	48.7	3%	0.027	26%	0.26	C	S	.	.	H	α-helix	trans	-75.9	-39.5	-177.7	-66.5	-38	0	0	0	110.9	I291 R292 L293 F298 G299 V326 S327 F330	I291-D295 HydrophobicContact CD1-CB 3.83Å; I291-D295 HydrophobicContact CG1-CB 3.86Å; R292-D295 HydrophobicContact CB-CB 4.48Å; R292-D295 IonicContact CZ-OD2 3.04Å; R292-D295 IonicContact NE-OD2 3.91Å; R292-D295 PolarHBondContact NE-OD2 3.14Å; R292-D295 IonicContact NH2-OD1 3.16Å; R292-D295 IonicContact NH2-OD2 3.16Å; R292-D295 PolarHBondContact NH2-OD2 2.79Å; R292-D295 PolarHBondContact O-N 2.71Å; L293-D295 VanDerWaalsContact C-N 3.33Å; L293-D295 PolarHBondContact O-N 3.11Å; D295-F298 PolarHBondContact O-N 3.15Å; D295-G299 PolarHBondContact O-N 3.14Å; D295-V326 WeakPolarHBondContact OD1-CG2 3.17Å; D295-S327 VanDerWaalsContact CG-OG 3.31Å; D295-S327 WeakPolarHBondContact OD1-CB 3.21Å; D295-S327 PolarHBondContact OD1-N 3Å; D295-S327 PolarHBondContact OD1-OG 3.22Å; D295-S327 PolarHBondContact OD2-OG 3.2Å; D295-F330 HydrophobicContact CB-CD2 4.08Å; D295-F330 HydrophobicContact CB-CE2 4Å; D295-F330 HydrophobicContact CB-CZ 4.37Å
296	D	91.3	Very high	87.6	Confident	20 Å²	20	46.1 Å²	46.1	11%	0.107	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-45.7	172.1	175.5	63.6	0	0	0	112	Y248 V282 I291 R292 F298 G299 K300	Y248-D296 VanDerWaalsContact CE1-OD2 3.31Å; Y248-D296 WeakPolarHBondContact CE1-OD2 3.31Å; Y248-D296 PolarHBondContact OH-OD2 2.86Å; V282-D296 HydrophobicContact CG2-CB 3.81Å; I291-D296 HydrophobicContact CG2-CB 3.74Å; R292-D296 PolarHBondContact O-N 2.65Å; D296-F298 VanDerWaalsContact C-N 3.31Å; D296-F298 PolarHBondContact O-N 3.25Å; D296-G299 PolarHBondContact O-N 3.25Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; D296-K300 PolarHBondContact O-N 3.32Å; D296-K300 VanDerWaalsContact OD1-CE 3.32Å; D296-K300 WeakPolarHBondContact OD1-CE 3.45Å; D296-K300 IonicContact OD1-NZ 3.85Å; D296-K300 PolarHBondContact OD1-NZ 3.4Å; D296-K300 WeakPolarHBondContact OD2-CE 3.3Å; D296-K300 IonicContact OD2-NZ 3.21Å; D296-K300 PolarHBondContact OD2-NZ 3.22Å
297	A	94.1	Very high	89.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.1	-42.6	176.2	0	0	0	0	0	111.1	Y248 V270 L293 K300 I301 M323	Y248-A297 HydrophobicContact CE2-CB 4.15Å; Y248-A297 WeakPolarHBondContact OH-CA 3.37Å; Y248-A297 PolarHBondContact OH-N 3.03Å; V270-A297 HydrophobicContact CG1-CB 3.77Å; L293-A297 WeakPolarHBondContact O-CB 3.45Å; L293-A297 PolarHBondContact O-N 3.2Å; A297-K300 PolarHBondContact O-N 2.97Å; A297-I301 WeakPolarHBondContact O-CB 3.27Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.45Å; A297-I301 PolarHBondContact O-N 3.36Å; A297-M323 HydrophobicContact CB-CE 4.16Å
298	F	94.2	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.2	-45.4	177.6	-172.3	-92.3	0	0	0	111.4	V294 D295 D296 K300 I301 S302 L320 M323 V326 F330 L331 T334 A389	V294-F298 VanDerWaalsContact O-CB 3.25Å; V294-F298 WeakPolarHBondContact O-CB 3.37Å; V294-F298 PolarHBondContact O-N 2.95Å; D295-F298 PolarHBondContact O-N 3.15Å; D296-F298 VanDerWaalsContact C-N 3.31Å; D296-F298 PolarHBondContact O-N 3.25Å; F298-K300 PolarHBondContact O-N 3.09Å; F298-I301 PolarHBondContact O-N 2.94Å; F298-S302 VanDerWaalsContact O-CB 3.22Å; F298-S302 WeakPolarHBondContact O-CB 3.04Å; F298-S302 PolarHBondContact O-N 3.42Å; F298-S302 PolarHBondContact O-OG 2.92Å; F298-L320 HydrophobicContact CD2-CD2 3.64Å; F298-L320 HydrophobicContact CE2-CB 4.45Å; F298-L320 HydrophobicContact CE2-CD2 3.59Å; F298-L320 HydrophobicContact CG-CD2 4.15Å; F298-L320 HydrophobicContact CZ-CD2 4.05Å; F298-M323 HydrophobicContact CB-CE 3.72Å; F298-M323 HydrophobicContact CB-SD 4.33Å; F298-M323 HydrophobicContact CD2-CB 3.88Å; F298-M323 HydrophobicContact CD2-CE 4.06Å; F298-M323 HydrophobicContact CD2-CG 4.43Å; F298-M323 HydrophobicContact CD2-SD 3.81Å; F298-M323 HydrophobicContact CE2-CB 4.28Å; F298-M323 HydrophobicContact CG-CE 4.41Å; F298-V326 HydrophobicContact CB-CG2 3.83Å; F298-V326 HydrophobicContact CD1-CG2 3.76Å; F298-V326 HydrophobicContact CD2-CB 4.01Å; F298-V326 HydrophobicContact CD2-CG1 4.23Å; F298-V326 HydrophobicContact CD2-CG2 3.81Å; F298-V326 HydrophobicContact CE1-CG2 4.22Å; F298-V326 HydrophobicContact CE2-CB 4.36Å; F298-V326 HydrophobicContact CE2-CG1 4.07Å; F298-V326 HydrophobicContact CE2-CG2 4.28Å; F298-V326 HydrophobicContact CG-CB 4.23Å; F298-V326 HydrophobicContact CG-CG2 3.52Å; F298-V326 HydrophobicContact CZ-CG1 4.42Å; F298-V326 HydrophobicContact CZ-CG2 4.47Å; F298-F330 HydrophobicContact CD1-CB 4.16Å; F298-F330 HydrophobicContact CE1-CB 4.43Å; F298-L331 HydrophobicContact CZ-CD1 4.26Å; F298-T334 HydrophobicContact CE1-CG2 3.53Å; F298-T334 HydrophobicContact CZ-CG2 3.77Å; F298-A389 HydrophobicContact CD1-CB 4.33Å; F298-A389 HydrophobicContact CE1-CB 4.35Å
299	G	91.2	Very high	91.8	Very high	11 Å²	11	35.8 Å²	35.8	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-61.6	-41.7	175.6	0	0	0	0	0	113	D295 D296 S302 H303 G388	D295-G299 PolarHBondContact O-N 3.14Å; D296-G299 PolarHBondContact O-N 3.25Å; G299-S302 PolarHBondContact O-N 3.04Å; G299-H303 PolarHBondContact O-N 3.12Å; G299-H303 VanDerWaalsContact O-N 3.15Å; G299-G388 CarbonylContact O-C 3.25Å; G299-G388 VanDerWaalsContact O-C 3.25Å; G299-G388 WeakPolarHBondContact O-CA 3.4Å
300	K	92.6	Very high	92.7	Very high	58 Å²	58	35.7 Å²	35.7	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-67.4	-43.9	177.4	-74.9	171.6	178.8	160	0	112.8	C252 L255 D296 A297 F298 S302 H303 M304	C252-K300 HydrophobicContact CB-CD 4.31Å; C252-K300 PolarHBondContact SG-NZ 3.21Å; L255-K300 HydrophobicContact CD1-CB 3.88Å; L255-K300 HydrophobicContact CD1-CD 4.49Å; D296-K300 WeakPolarHBondContact O-CG 3.41Å; D296-K300 PolarHBondContact O-N 3.32Å; D296-K300 VanDerWaalsContact OD1-CE 3.32Å; D296-K300 WeakPolarHBondContact OD1-CE 3.45Å; D296-K300 IonicContact OD1-NZ 3.85Å; D296-K300 PolarHBondContact OD1-NZ 3.4Å; D296-K300 WeakPolarHBondContact OD2-CE 3.3Å; D296-K300 IonicContact OD2-NZ 3.21Å; D296-K300 PolarHBondContact OD2-NZ 3.22Å; A297-K300 PolarHBondContact O-N 2.97Å; F298-K300 PolarHBondContact O-N 3.09Å; K300-S302 VanDerWaalsContact C-N 3.32Å; K300-H303 WeakPolarHBondContact O-CB 3.48Å; K300-H303 PolarHBondContact O-N 3.4Å; K300-M304 WeakPolarHBondContact O-CG 3.44Å; K300-M304 PolarHBondContact O-N 3.41Å
301	I	95.6	Very high	93.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.1	-37.7	176.6	-66	169.4	0	0	0	110.3	V267 V270 W271 A297 F298 H303 M304 A316 T319 L320 M323	V267-I301 HydrophobicContact CG1-CG1 4.46Å; V267-I301 HydrophobicContact CG1-CG2 4.15Å; V270-I301 HydrophobicContact CG1-CD1 4.01Å; V270-I301 HydrophobicContact CG1-CG1 4.01Å; W271-I301 HydrophobicContact CB-CD1 3.91Å; A297-I301 WeakPolarHBondContact O-CB 3.27Å; A297-I301 VanDerWaalsContact O-CG1 3.29Å; A297-I301 WeakPolarHBondContact O-CG1 3.45Å; A297-I301 PolarHBondContact O-N 3.36Å; F298-I301 PolarHBondContact O-N 2.94Å; I301-H303 VanDerWaalsContact C-N 3.29Å; I301-H303 PolarHBondContact O-N 2.92Å; I301-M304 WeakPolarHBondContact O-CA 3.44Å; I301-M304 VanDerWaalsContact O-CB 3.27Å; I301-M304 WeakPolarHBondContact O-CB 3.23Å; I301-M304 PolarHBondContact O-N 2.82Å; I301-A316 HydrophobicContact CG2-CB 4.17Å; I301-T319 WeakPolarHBondContact CG2-OG1 3.48Å; I301-L320 HydrophobicContact CB-CD2 4Å; I301-L320 HydrophobicContact CG2-CD2 3.72Å; I301-L320 HydrophobicContact CG2-CG 3.74Å; I301-M323 HydrophobicContact CD1-SD 3.78Å
302	S	94.1	Very high	93.7	Very high	1 Å²	1	32 Å²	32	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-60	-39.5	176.4	-64.9	0	0	0	0	112.3	F298 G299 K300 M304 V305 L320 G388	F298-S302 VanDerWaalsContact O-CB 3.22Å; F298-S302 WeakPolarHBondContact O-CB 3.04Å; F298-S302 PolarHBondContact O-N 3.42Å; F298-S302 PolarHBondContact O-OG 2.92Å; G299-S302 PolarHBondContact O-N 3.04Å; K300-S302 VanDerWaalsContact C-N 3.32Å; S302-M304 PolarHBondContact O-N 3Å; S302-V305 VanDerWaalsContact O-CB 3.31Å; S302-V305 WeakPolarHBondContact O-CB 3.45Å; S302-V305 WeakPolarHBondContact O-CG2 2.89Å; S302-V305 PolarHBondContact O-N 3.29Å; S302-V305 VanDerWaalsContact O-N 3.08Å; S302-L320 WeakPolarHBondContact OG-CD2 3.32Å; S302-G388 CarbonylContact C-O 3.59Å; S302-G388 WeakPolarHBondContact CB-O 3.49Å
303	H	92	Very high	94	Very high	121 Å²	121	29.6 Å²	29.6	56%	0.56	17%	0.168	S	C	*	.	H	α-helix	trans	-61.2	-31.3	172.6	178.2	-83.6	0	0	0	112.4	G299 K300 I301 V305 S306 G388	G299-H303 PolarHBondContact O-N 3.12Å; G299-H303 VanDerWaalsContact O-N 3.15Å; K300-H303 WeakPolarHBondContact O-CB 3.48Å; K300-H303 PolarHBondContact O-N 3.4Å; I301-H303 VanDerWaalsContact C-N 3.29Å; I301-H303 PolarHBondContact O-N 2.92Å; H303-V305 PolarHBondContact O-N 3.23Å; H303-S306 PolarHBondContact O-N 3.08Å; H303-S306 VanDerWaalsContact O-N 3.12Å; H303-G388 PolarHBondContact N-O 2.96Å; H303-G388 VanDerWaalsContact N-O 3.1Å
304	M	95.3	Very high	94.1	Very high	6 Å²	6	30.4 Å²	30.4	3%	0.03	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-71	-10.3	177.2	-56.6	-54.9	-61.1	0	0	113.5	L255 R263 V267 K300 I301 S302 S306 D307 V312 A316	L255-M304 HydrophobicContact CB-SD 3.97Å; L255-M304 HydrophobicContact CD2-CG 4.19Å; L255-M304 HydrophobicContact CD2-SD 4.34Å; L255-M304 WeakPolarHBondContact O-CE 3.48Å; R263-M304 HydrophobicContact CB-CE 4.23Å; V267-M304 HydrophobicContact CG2-CB 4.04Å; V267-M304 HydrophobicContact CG2-CE 4.46Å; V267-M304 HydrophobicContact CG2-CG 3.81Å; K300-M304 WeakPolarHBondContact O-CG 3.44Å; K300-M304 PolarHBondContact O-N 3.41Å; I301-M304 WeakPolarHBondContact O-CA 3.44Å; I301-M304 VanDerWaalsContact O-CB 3.27Å; I301-M304 WeakPolarHBondContact O-CB 3.23Å; I301-M304 PolarHBondContact O-N 2.82Å; S302-M304 PolarHBondContact O-N 3Å; M304-S306 PolarHBondContact O-N 2.86Å; M304-D307 HydrophobicContact CE-CB 4.25Å; M304-D307 WeakPolarHBondContact CE-OD2 3.11Å; M304-D307 VanDerWaalsContact O-CB 3.28Å; M304-D307 WeakPolarHBondContact O-CB 3.45Å; M304-D307 PolarHBondContact O-N 3.34Å; M304-V312 HydrophobicContact CB-CG1 4.44Å; M304-V312 HydrophobicContact CE-CG1 3.58Å; M304-A316 HydrophobicContact CB-CB 3.7Å
305	V	93.9	Very high	94.2	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.012	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-67.3	-19.2	169.6	-176.6	0	0	0	0	111.1	S302 H303 R313 A316 L320 A392	S302-V305 VanDerWaalsContact O-CB 3.31Å; S302-V305 WeakPolarHBondContact O-CB 3.45Å; S302-V305 WeakPolarHBondContact O-CG2 2.89Å; S302-V305 PolarHBondContact O-N 3.29Å; S302-V305 VanDerWaalsContact O-N 3.08Å; H303-V305 PolarHBondContact O-N 3.23Å; V305-R313 WeakPolarHBondContact O-CD 3.36Å; V305-R313 VanDerWaalsContact O-CG 3.28Å; V305-R313 WeakPolarHBondContact O-CG 3.32Å; V305-A316 HydrophobicContact CG2-CB 4.02Å; V305-L320 HydrophobicContact CG2-CD1 3.63Å; V305-A392 WeakPolarHBondContact CG1-O 3.47Å; V305-A392 HydrophobicContact CG2-CB 4.44Å
306	S	91	Very high	94.5	Very high	73 Å²	73	32 Å²	32	51%	0.51	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-101.2	20.1	174.4	-54.2	0	0	0	0	113.1	H303 M304	H303-S306 PolarHBondContact O-N 3.08Å; H303-S306 VanDerWaalsContact O-N 3.12Å; M304-S306 PolarHBondContact O-N 2.86Å
307	D	95.3	Very high	94.7	Very high	19 Å²	19	31 Å²	31	10%	0.102	18%	0.175	C	C	.	.			trans	-64.9	149.5	178.7	-166.3	-84.5	0	0	0	112.5	R263 M304 S309 V312 R313	R263-D307 WeakPolarHBondContact CD-OD2 3.49Å; R263-D307 IonicContact CZ-OD1 3.53Å; R263-D307 IonicContact CZ-OD2 3.61Å; R263-D307 IonicContact NE-OD1 3.39Å; R263-D307 PolarHBondContact NE-OD1 3.05Å; R263-D307 IonicContact NE-OD2 2.77Å; R263-D307 PolarHBondContact NE-OD2 2.86Å; R263-D307 IonicContact NH2-OD1 2.78Å; R263-D307 PolarHBondContact NH2-OD1 2.94Å; R263-D307 IonicContact NH2-OD2 3.63Å; M304-D307 HydrophobicContact CE-CB 4.25Å; M304-D307 WeakPolarHBondContact CE-OD2 3.11Å; M304-D307 VanDerWaalsContact O-CB 3.28Å; M304-D307 WeakPolarHBondContact O-CB 3.45Å; M304-D307 PolarHBondContact O-N 3.34Å; D307-S309 PolarHBondContact O-N 3.45Å; D307-S309 PolarHBondContact OD1-N 3.01Å; D307-V312 HydrophobicContact CB-CB 3.94Å; D307-V312 HydrophobicContact CB-CG1 3.79Å; D307-R313 HydrophobicContact CB-CG 4.13Å; D307-R313 VanDerWaalsContact O-CD 3.26Å; D307-R313 WeakPolarHBondContact O-CD 3.35Å; D307-R313 WeakPolarHBondContact O-CG 3.46Å; D307-R313 PolarHBondContact O-NH1 3.39Å
308	G	92.3	Very high	94.8	Very high	77 Å²	77	36.3 Å²	36.3	79%	0.794	20%	0.198	S	C	*	.	S	Bend	trans	-64.6	-22.4	177.6	0	0	0	0	0	114.3
309	S	95.6	Very high	94.8	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	20%	0.2	C	C	.	.	S	Bend	trans	-100.2	122.8	174.4	174.5	0	0	0	0	111.3	E260 D307 M311 V312 R313	E260-S309 VanDerWaalsContact OE2-CB 3.26Å; E260-S309 WeakPolarHBondContact OE2-CB 3.48Å; E260-S309 PolarHBondContact OE2-OG 3.16Å; D307-S309 PolarHBondContact O-N 3.45Å; D307-S309 PolarHBondContact OD1-N 3.01Å; S309-M311 PolarHBondContact O-N 3.29Å; S309-M311 PolarHBondContact OG-N 3.08Å; S309-V312 WeakPolarHBondContact O-CB 3.43Å; S309-V312 PolarHBondContact O-N 2.96Å; S309-R313 WeakPolarHBondContact O-CG 3.35Å; S309-R313 PolarHBondContact O-N 3.48Å; S309-R313 VanDerWaalsContact O-N 3.09Å
310	W	95.1	Very high	95.1	Very high	103 Å²	103	36.1 Å²	36.1	39%	0.39	19%	0.194	S	C	.	.	H	α-helix	trans	-58.4	-31.4	176.3	72.8	-91.9	0	0	0	112.6	V312 R313 V314 M401 E403 V404	W310-V312 VanDerWaalsContact C-N 3.29Å; W310-V312 PolarHBondContact O-N 2.74Å; W310-R313 PolarHBondContact O-N 3.3Å; W310-V314 HydrophobicContact CE3-CG2 3.87Å; W310-V314 HydrophobicContact CZ3-CG2 4.15Å; W310-V314 WeakPolarHBondContact O-CG2 3.22Å; W310-V314 PolarHBondContact O-N 3.17Å; W310-M401 HydrophobicContact CB-CB 4.27Å; W310-M401 HydrophobicContact CB-CG 3.69Å; W310-M401 HydrophobicContact CG-CG 4.11Å; W310-E403 HydrophobicContact CE3-CB 4.47Å; W310-E403 HydrophobicContact CZ3-CB 4.19Å; W310-E403 HydrophobicContact CZ3-CG 4.29Å; W310-V404 HydrophobicContact CB-CG2 4.37Å
311	M	95.8	Very high	95.1	Very high	98 Å²	98	33.3 Å²	33.3	48%	0.483	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-36.4	177	-64.1	-174.1	74.1	0	0	111.9	S309 Q315	S309-M311 PolarHBondContact O-N 3.29Å; S309-M311 PolarHBondContact OG-N 3.08Å; M311-Q315 WeakPolarHBondContact O-CB 3.12Å; M311-Q315 PolarHBondContact O-N 3.27Å
312	V	96.8	Very high	95	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-71.9	-41.6	175.1	-178.1	0	0	0	0	110	E260 R263 V267 M304 D307 S309 W310 V314 Q315 A316	E260-V312 HydrophobicContact CB-CG2 4.04Å; E260-V312 WeakPolarHBondContact O-CG2 3.35Å; R263-V312 HydrophobicContact CB-CG1 4.29Å; R263-V312 HydrophobicContact CB-CG2 4.13Å; V267-V312 HydrophobicContact CG2-CG1 4.38Å; M304-V312 HydrophobicContact CB-CG1 4.44Å; M304-V312 HydrophobicContact CE-CG1 3.58Å; D307-V312 HydrophobicContact CB-CB 3.94Å; D307-V312 HydrophobicContact CB-CG1 3.79Å; S309-V312 WeakPolarHBondContact O-CB 3.43Å; S309-V312 PolarHBondContact O-N 2.96Å; W310-V312 VanDerWaalsContact C-N 3.29Å; W310-V312 PolarHBondContact O-N 2.74Å; V312-V314 PolarHBondContact O-N 3.11Å; V312-Q315 PolarHBondContact O-N 3.2Å; V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.17Å
313	R	97.2	Very high	95	Very high	18 Å²	18	35.1 Å²	35.1	7%	0.068	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-46.2	175.5	-60	-163.6	-63.9	-107.6	17.6	112.3	V305 D307 S309 W310 Q315 A316 A317 D399 E400 V404	V305-R313 WeakPolarHBondContact O-CD 3.36Å; V305-R313 VanDerWaalsContact O-CG 3.28Å; V305-R313 WeakPolarHBondContact O-CG 3.32Å; D307-R313 HydrophobicContact CB-CG 4.13Å; D307-R313 VanDerWaalsContact O-CD 3.26Å; D307-R313 WeakPolarHBondContact O-CD 3.35Å; D307-R313 WeakPolarHBondContact O-CG 3.46Å; D307-R313 PolarHBondContact O-NH1 3.39Å; S309-R313 WeakPolarHBondContact O-CG 3.35Å; S309-R313 PolarHBondContact O-N 3.48Å; S309-R313 VanDerWaalsContact O-N 3.09Å; W310-R313 PolarHBondContact O-N 3.3Å; R313-Q315 PolarHBondContact O-N 2.98Å; R313-A316 PolarHBondContact O-N 3.35Å; R313-A317 WeakPolarHBondContact O-CB 3.4Å; R313-A317 PolarHBondContact O-N 3.4Å; R313-D399 VanDerWaalsContact CD-OD2 3.3Å; R313-D399 WeakPolarHBondContact CD-OD2 3.39Å; R313-D399 IonicContact CZ-OD1 3.62Å; R313-D399 IonicContact CZ-OD2 3.37Å; R313-D399 IonicContact NE-OD1 3.51Å; R313-D399 IonicContact NE-OD2 2.71Å; R313-D399 PolarHBondContact NE-OD2 3.17Å; R313-D399 IonicContact NH2-OD1 2.88Å; R313-D399 PolarHBondContact NH2-OD1 2.85Å; R313-D399 IonicContact NH2-OD2 3.4Å; R313-D399 PolarHBondContact NH2-OD2 3.43Å; R313-E400 IonicContact CZ-OE1 3.85Å; R313-E400 IonicContact NH1-OE1 3.9Å; R313-E400 IonicContact NH2-OE1 2.92Å; R313-E400 PolarHBondContact NH2-OE1 2.82Å; R313-V404 HydrophobicContact CB-CG1 3.96Å; R313-V404 HydrophobicContact CB-CG2 3.79Å
314	V	97.1	Very high	95	Very high	17 Å²	17	34 Å²	34	10%	0.103	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-47.2	174.3	172.2	0	0	0	0	110.9	W310 V312 A316 A317 K318 E403 V404 A407	W310-V314 HydrophobicContact CE3-CG2 3.87Å; W310-V314 HydrophobicContact CZ3-CG2 4.15Å; W310-V314 WeakPolarHBondContact O-CG2 3.22Å; W310-V314 PolarHBondContact O-N 3.17Å; V312-V314 PolarHBondContact O-N 3.11Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 3.22Å; V314-A317 PolarHBondContact O-N 3.33Å; V314-K318 HydrophobicContact CG1-CD 4.03Å; V314-K318 HydrophobicContact CG1-CG 4.44Å; V314-K318 WeakPolarHBondContact O-CB 3.5Å; V314-K318 WeakPolarHBondContact O-CG 3.38Å; V314-K318 PolarHBondContact O-N 3.42Å; V314-E403 HydrophobicContact CG2-CB 3.92Å; V314-V404 HydrophobicContact CG2-CB 4.36Å; V314-V404 HydrophobicContact CG2-CG2 3.62Å; V314-A407 HydrophobicContact CG1-CB 4.2Å
315	Q	96.8	Very high	94.8	Very high	38 Å²	38	38.1 Å²	38.1	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-39.6	-179.9	-176	59.4	52	0	0	112	V267 Q268 M311 V312 R313 T319	V267-Q315 HydrophobicContact CB-CG 4.33Å; V267-Q315 HydrophobicContact CG1-CG 4.01Å; Q268-Q315 HydrophobicContact CG-CG 4.13Å; Q268-Q315 VanDerWaalsContact NE2-CD 3.26Å; Q268-Q315 VanDerWaalsContact NE2-OE1 3.07Å; M311-Q315 WeakPolarHBondContact O-CB 3.12Å; M311-Q315 PolarHBondContact O-N 3.27Å; V312-Q315 PolarHBondContact O-N 3.2Å; R313-Q315 PolarHBondContact O-N 2.98Å; Q315-T319 VanDerWaalsContact NE2-CG2 3.31Å; Q315-T319 WeakPolarHBondContact O-CB 3.44Å; Q315-T319 WeakPolarHBondContact O-CG2 3.49Å; Q315-T319 PolarHBondContact O-N 3.15Å; Q315-T319 PolarHBondContact O-OG1 3.25Å
316	A	97.1	Very high	94.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63	-52.5	175.1	0	0	0	0	0	111.2	I301 M304 V305 V312 R313 V314 K318 T319 L320	I301-A316 HydrophobicContact CG2-CB 4.17Å; M304-A316 HydrophobicContact CB-CB 3.7Å; V305-A316 HydrophobicContact CG2-CB 4.02Å; V312-A316 WeakPolarHBondContact O-CB 3.29Å; V312-A316 PolarHBondContact O-N 3.17Å; R313-A316 PolarHBondContact O-N 3.35Å; V314-A316 VanDerWaalsContact C-N 3.33Å; V314-A316 PolarHBondContact O-N 3.22Å; A316-K318 PolarHBondContact O-N 3.37Å; A316-T319 PolarHBondContact O-N 2.86Å; A316-T319 PolarHBondContact O-OG1 2.84Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.97Å
317	A	96.4	Very high	94.7	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-56.4	-48.6	177.8	0	0	0	0	0	112	R313 V314 T319 L320 G321 A407 A411	R313-A317 WeakPolarHBondContact O-CB 3.4Å; R313-A317 PolarHBondContact O-N 3.4Å; V314-A317 PolarHBondContact O-N 3.33Å; A317-T319 VanDerWaalsContact C-N 3.34Å; A317-T319 PolarHBondContact O-N 3.47Å; A317-L320 PolarHBondContact O-N 2.85Å; A317-G321 PolarHBondContact O-N 2.74Å; A317-A407 HydrophobicContact CB-CB 3.79Å; A317-A411 WeakPolarHBondContact O-CB 3.35Å
318	K	95.4	Very high	94.3	Very high	111 Å²	111	39.4 Å²	39.4	48%	0.483	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-42.1	177.6	-74.3	-177.9	178	-180	0	113	V314 A316 A407	V314-K318 HydrophobicContact CG1-CD 4.03Å; V314-K318 HydrophobicContact CG1-CG 4.44Å; V314-K318 WeakPolarHBondContact O-CB 3.5Å; V314-K318 WeakPolarHBondContact O-CG 3.38Å; V314-K318 PolarHBondContact O-N 3.42Å; A316-K318 PolarHBondContact O-N 3.37Å; K318-A407 HydrophobicContact CG-CB 3.91Å
319	T	95.6	Very high	94	Very high	6 Å²	6	40.4 Å²	40.4	4%	0.037	20%	0.204	C	C	.	.	H	α-helix	trans	-69.9	-39.5	-179.5	46.6	0	0	0	0	111.9	V267 W271 I301 Q315 A316 A317 G321 S322	V267-T319 HydrophobicContact CG1-CG2 4.18Å; V267-T319 WeakPolarHBondContact CG1-OG1 3.39Å; W271-T319 HydrophobicContact CB-CG2 4.1Å; W271-T319 HydrophobicContact CD2-CG2 4.38Å; W271-T319 HydrophobicContact CG-CG2 4.04Å; I301-T319 WeakPolarHBondContact CG2-OG1 3.48Å; Q315-T319 VanDerWaalsContact NE2-CG2 3.31Å; Q315-T319 WeakPolarHBondContact O-CB 3.44Å; Q315-T319 WeakPolarHBondContact O-CG2 3.49Å; Q315-T319 PolarHBondContact O-N 3.15Å; Q315-T319 PolarHBondContact O-OG1 3.25Å; A316-T319 PolarHBondContact O-N 2.86Å; A316-T319 PolarHBondContact O-OG1 2.84Å; A317-T319 VanDerWaalsContact C-N 3.34Å; A317-T319 PolarHBondContact O-N 3.47Å; T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 2.92Å; T319-S322 PolarHBondContact O-N 3.05Å; T319-S322 VanDerWaalsContact O-N 3.15Å; T319-S322 PolarHBondContact O-OG 2.88Å
320	L	95.4	Very high	93.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-55.6	-42.2	175.7	-72	172.2	0	0	0	112.8	F298 I301 S302 V305 A316 A317 S322 M323 F393	F298-L320 HydrophobicContact CD2-CD2 3.64Å; F298-L320 HydrophobicContact CE2-CB 4.45Å; F298-L320 HydrophobicContact CE2-CD2 3.59Å; F298-L320 HydrophobicContact CG-CD2 4.15Å; F298-L320 HydrophobicContact CZ-CD2 4.05Å; I301-L320 HydrophobicContact CB-CD2 4Å; I301-L320 HydrophobicContact CG2-CD2 3.72Å; I301-L320 HydrophobicContact CG2-CG 3.74Å; S302-L320 WeakPolarHBondContact OG-CD2 3.32Å; V305-L320 HydrophobicContact CG2-CD1 3.63Å; A316-L320 WeakPolarHBondContact O-CG 3.44Å; A316-L320 PolarHBondContact O-N 2.97Å; A317-L320 PolarHBondContact O-N 2.85Å; L320-S322 PolarHBondContact O-N 2.89Å; L320-S322 VanDerWaalsContact O-N 3.11Å; L320-M323 HydrophobicContact CD2-SD 4.36Å; L320-M323 PolarHBondContact O-N 3.02Å; L320-F393 HydrophobicContact CB-CZ 4.08Å; L320-F393 HydrophobicContact CD1-CE1 4.48Å; L320-F393 HydrophobicContact CD1-CZ 4.42Å
321	G	93.1	Very high	93.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.1	-31.7	179.9	0	0	0	0	0	114.2	A317 T319 Q414	A317-G321 PolarHBondContact O-N 2.74Å; T319-G321 VanDerWaalsContact C-N 3.29Å; T319-G321 PolarHBondContact O-N 2.92Å; G321-Q414 VanDerWaalsContact O-CB 3.23Å; G321-Q414 WeakPolarHBondContact O-CB 3.36Å; G321-Q414 PolarHBondContact O-OE1 3.1Å
322	S	93.8	Very high	92.8	Very high	38 Å²	38	35.3 Å²	35.3	27%	0.266	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4.7	-178	68.2	0	0	0	0	114.6	W271 T319 L320 L324	W271-S322 PolarHBondContact NE1-OG 3.14Å; T319-S322 PolarHBondContact O-N 3.05Å; T319-S322 VanDerWaalsContact O-N 3.15Å; T319-S322 PolarHBondContact O-OG 2.88Å; L320-S322 PolarHBondContact O-N 2.89Å; L320-S322 VanDerWaalsContact O-N 3.11Å; S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.4Å
323	M	94.3	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.			trans	-85.3	65.7	-176.9	-64.7	-173.9	68.3	0	0	112.4	S274 V294 A297 F298 I301 L320 Q325 V326	S274-M323 WeakPolarHBondContact OG-CE 3.35Å; V294-M323 HydrophobicContact CG2-CE 4.04Å; V294-M323 WeakPolarHBondContact O-CE 3.36Å; A297-M323 HydrophobicContact CB-CE 4.16Å; F298-M323 HydrophobicContact CB-CE 3.72Å; F298-M323 HydrophobicContact CB-SD 4.33Å; F298-M323 HydrophobicContact CD2-CB 3.88Å; F298-M323 HydrophobicContact CD2-CE 4.06Å; F298-M323 HydrophobicContact CD2-CG 4.43Å; F298-M323 HydrophobicContact CD2-SD 3.81Å; F298-M323 HydrophobicContact CE2-CB 4.28Å; F298-M323 HydrophobicContact CG-CE 4.41Å; I301-M323 HydrophobicContact CD1-SD 3.78Å; L320-M323 HydrophobicContact CD2-SD 4.36Å; L320-M323 PolarHBondContact O-N 3.02Å; M323-Q325 VanDerWaalsContact C-N 3.28Å; M323-Q325 PolarHBondContact O-N 3.08Å; M323-V326 WeakPolarHBondContact O-CG1 3.45Å; M323-V326 PolarHBondContact O-N 2.84Å
324	L	92.3	Very high	92	Very high	98 Å²	98	35.5 Å²	35.5	51%	0.513	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.8	-171.6	-53.3	-179.6	0	0	0	115.3	S322 L415	S322-L324 VanDerWaalsContact C-N 3.32Å; S322-L324 PolarHBondContact O-N 3.4Å; L324-L415 HydrophobicContact CD2-CD2 4.18Å
325	Q	91.4	Very high	91.6	Very high	92 Å²	92	35.4 Å²	35.4	43%	0.43	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	2.1	-177	-65.5	179.7	74	0	0	113.6	V294 M323	V294-Q325 HydrophobicContact CG2-CB 4.38Å; M323-Q325 VanDerWaalsContact C-N 3.28Å; M323-Q325 PolarHBondContact O-N 3.08Å
326	V	92.2	Very high	90.9	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.079	18%	0.184	C	C	.	.	S	Bend	trans	-64.5	145.3	179.1	69.1	0	0	0	0	111.3	D295 F298 M323 F330 L331	D295-V326 WeakPolarHBondContact OD1-CG2 3.17Å; F298-V326 HydrophobicContact CB-CG2 3.83Å; F298-V326 HydrophobicContact CD1-CG2 3.76Å; F298-V326 HydrophobicContact CD2-CB 4.01Å; F298-V326 HydrophobicContact CD2-CG1 4.23Å; F298-V326 HydrophobicContact CD2-CG2 3.81Å; F298-V326 HydrophobicContact CE1-CG2 4.22Å; F298-V326 HydrophobicContact CE2-CB 4.36Å; F298-V326 HydrophobicContact CE2-CG1 4.07Å; F298-V326 HydrophobicContact CE2-CG2 4.28Å; F298-V326 HydrophobicContact CG-CB 4.23Å; F298-V326 HydrophobicContact CG-CG2 3.52Å; F298-V326 HydrophobicContact CZ-CG1 4.42Å; F298-V326 HydrophobicContact CZ-CG2 4.47Å; M323-V326 WeakPolarHBondContact O-CG1 3.45Å; M323-V326 PolarHBondContact O-N 2.84Å; V326-F330 HydrophobicContact CG2-CB 3.77Å; V326-L331 HydrophobicContact CG1-CB 4.11Å
327	S	90.1	Very high	89.9	Confident	28 Å²	28	38 Å²	38	20%	0.196	20%	0.195	C	C	.	.			trans	-57.9	136.7	173.2	-70.9	0	0	0	0	111.5	R292 D295 H329 F330 L331	R292-S327 PolarHBondContact NH2-OG 3.18Å; D295-S327 VanDerWaalsContact CG-OG 3.31Å; D295-S327 WeakPolarHBondContact OD1-CB 3.21Å; D295-S327 PolarHBondContact OD1-N 3Å; D295-S327 PolarHBondContact OD1-OG 3.22Å; D295-S327 PolarHBondContact OD2-OG 3.2Å; S327-H329 PolarHBondContact O-N 3.36Å; S327-H329 VanDerWaalsContact O-N 3.08Å; S327-F330 PolarHBondContact O-N 3.23Å; S327-L331 PolarHBondContact O-N 2.71Å
328	P	87.4	Confident	88.4	Confident	81 Å²	81	41.1 Å²	41.1	53%	0.526	21%	0.208	S	C	.	.	H	α-helix	trans	-54.7	-32.7	178.6	-27.8	34.5	0	0	0	113.9	L331 E332	P328-L331 PolarHBondContact O-N 3.05Å; P328-E332 WeakPolarHBondContact O-CB 3.32Å; P328-E332 WeakPolarHBondContact O-CG 3.31Å; P328-E332 PolarHBondContact O-N 3.36Å
329	H	85.3	Confident	86.6	Confident	98 Å²	98	39.5 Å²	39.5	45%	0.454	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-45.1	177.8	-175.6	56.3	0	0	0	112.9	S327 E332 Q333	S327-H329 PolarHBondContact O-N 3.36Å; S327-H329 VanDerWaalsContact O-N 3.08Å; H329-E332 PolarHBondContact O-N 3.37Å; H329-Q333 PolarHBondContact CE1-NE2 3.24Å; H329-Q333 PolarHBondContact NE2-NE2 2.91Å; H329-Q333 VanDerWaalsContact O-CG 3.3Å; H329-Q333 WeakPolarHBondContact O-CG 3.38Å; H329-Q333 PolarHBondContact O-N 3.41Å; H329-Q333 VanDerWaalsContact O-N 3.15Å
330	F	85.7	Confident	84.7	Confident	29 Å²	29	42.6 Å²	42.6	13%	0.127	22%	0.219	C	C	.	.	H	α-helix	trans	-68.2	-39.7	177.5	-81.7	-91.3	0	0	0	111.2	I291 D295 F298 V326 S327 Q333 A386 A389	I291-F330 HydrophobicContact CD1-CE1 4.15Å; I291-F330 HydrophobicContact CD1-CE2 3.99Å; I291-F330 HydrophobicContact CD1-CZ 3.41Å; I291-F330 VanDerWaalsContact CD1-CZ 3.41Å; D295-F330 HydrophobicContact CB-CD2 4.08Å; D295-F330 HydrophobicContact CB-CE2 4Å; D295-F330 HydrophobicContact CB-CZ 4.37Å; F298-F330 HydrophobicContact CD1-CB 4.16Å; F298-F330 HydrophobicContact CE1-CB 4.43Å; V326-F330 HydrophobicContact CG2-CB 3.77Å; S327-F330 PolarHBondContact O-N 3.23Å; F330-Q333 PolarHBondContact O-N 3.41Å; F330-A386 HydrophobicContact CE1-CB 3.92Å; F330-A386 HydrophobicContact CZ-CB 4.25Å; F330-A389 HydrophobicContact CD1-CB 4.13Å
331	L	89.3	Confident	82.8	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.047	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-47.5	176	-178.2	59.3	0	0	0	111.1	F298 V326 S327 P328 Q333 T334 L415 F422	F298-L331 HydrophobicContact CZ-CD1 4.26Å; V326-L331 HydrophobicContact CG1-CB 4.11Å; S327-L331 PolarHBondContact O-N 2.71Å; P328-L331 PolarHBondContact O-N 3.05Å; L331-Q333 VanDerWaalsContact C-N 3.31Å; L331-Q333 PolarHBondContact O-N 2.93Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 PolarHBondContact O-N 3.43Å; L331-T334 PolarHBondContact O-OG1 3.13Å; L331-L415 HydrophobicContact CD1-CB 4.1Å; L331-L415 HydrophobicContact CD1-CD1 3.73Å; L331-L415 HydrophobicContact CD1-CD2 4.18Å; L331-L415 HydrophobicContact CD1-CG 4.22Å; L331-F422 HydrophobicContact CD1-CD1 4.25Å; L331-F422 HydrophobicContact CD1-CD2 4.16Å; L331-F422 HydrophobicContact CD1-CE1 3.88Å; L331-F422 HydrophobicContact CD1-CE2 3.76Å; L331-F422 HydrophobicContact CD1-CG 4.37Å; L331-F422 HydrophobicContact CD1-CZ 3.61Å; L331-F422 HydrophobicContact CD2-CB 3.93Å; L331-F422 HydrophobicContact CD2-CD1 3.98Å; L331-F422 HydrophobicContact CD2-CD2 3.86Å; L331-F422 HydrophobicContact CD2-CE1 4.46Å; L331-F422 HydrophobicContact CD2-CE2 4.32Å; L331-F422 HydrophobicContact CD2-CG 3.65Å; L331-F422 HydrophobicContact CG-CD1 4.19Å; L331-F422 HydrophobicContact CG-CD2 3.53Å; L331-F422 HydrophobicContact CG-CE1 4.25Å; L331-F422 HydrophobicContact CG-CE2 3.57Å; L331-F422 HydrophobicContact CG-CG 3.83Å; L331-F422 HydrophobicContact CG-CZ 3.94Å; L331-F422 WeakPolarHBondContact O-CE2 3.35Å
332	E	87.4	Confident	81.2	Confident	64 Å²	64	50 Å²	50	30%	0.299	26%	0.261	S	S	.	.	H	α-helix	trans	-66.4	-30.9	-179.9	-70.5	175.6	-178.3	0	0	113.6	P328 H329 T334 L335 K425	P328-E332 WeakPolarHBondContact O-CB 3.32Å; P328-E332 WeakPolarHBondContact O-CG 3.31Å; P328-E332 PolarHBondContact O-N 3.36Å; H329-E332 PolarHBondContact O-N 3.37Å; E332-T334 PolarHBondContact O-N 3.28Å; E332-L335 PolarHBondContact O-N 3.23Å; E332-K425 HydrophobicContact CG-CD 4.01Å; E332-K425 IonicContact OE1-NZ 3.88Å; E332-K425 PolarHBondContact OE1-NZ 3.21Å; E332-K425 IonicContact OE2-NZ 3.07Å; E332-K425 PolarHBondContact OE2-NZ 3Å
333	Q	86.6	Confident	79.7	Confident	22 Å²	22	50.2 Å²	50.2	10%	0.103	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-29.5	175.8	-78	175.2	-9.3	0	0	112.8	H329 F330 L331 L335 D336 A389 C390 G391	H329-Q333 PolarHBondContact CE1-NE2 3.24Å; H329-Q333 PolarHBondContact NE2-NE2 2.91Å; H329-Q333 VanDerWaalsContact O-CG 3.3Å; H329-Q333 WeakPolarHBondContact O-CG 3.38Å; H329-Q333 PolarHBondContact O-N 3.41Å; H329-Q333 VanDerWaalsContact O-N 3.15Å; F330-Q333 PolarHBondContact O-N 3.41Å; L331-Q333 VanDerWaalsContact C-N 3.31Å; L331-Q333 PolarHBondContact O-N 2.93Å; Q333-L335 PolarHBondContact O-N 2.98Å; Q333-L335 VanDerWaalsContact O-N 3.09Å; Q333-D336 VanDerWaalsContact O-CB 3.31Å; Q333-D336 WeakPolarHBondContact O-CB 3.48Å; Q333-D336 PolarHBondContact O-N 3.41Å; Q333-A389 HydrophobicContact CB-CB 4.48Å; Q333-C390 VanDerWaalsContact O-CA 3.29Å; Q333-C390 WeakPolarHBondContact O-CA 3.3Å; Q333-G391 PolarHBondContact O-N 3.02Å
334	T	89.8	Confident	77.8	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21	178.2	65.6	0	0	0	0	114.3	F298 L331 E332 A389 G391 A392 F393	F298-T334 HydrophobicContact CE1-CG2 3.53Å; F298-T334 HydrophobicContact CZ-CG2 3.77Å; L331-T334 WeakPolarHBondContact O-CB 3.46Å; L331-T334 PolarHBondContact O-N 3.43Å; L331-T334 PolarHBondContact O-OG1 3.13Å; E332-T334 PolarHBondContact O-N 3.28Å; T334-A389 WeakPolarHBondContact CA-O 3.5Å; T334-A389 HydrophobicContact CG2-CB 4.45Å; T334-A389 WeakPolarHBondContact CG2-O 3.46Å; T334-A389 PolarHBondContact N-O 3.19Å; T334-G391 CarbonylContact O-C 3.52Å; T334-G391 VanDerWaalsContact O-C 3.28Å; T334-G391 WeakPolarHBondContact O-CA 3.37Å; T334-A392 PolarHBondContact O-N 3.13Å; T334-F393 HydrophobicContact CG2-CD2 4.21Å; T334-F393 HydrophobicContact CG2-CE2 4.36Å; T334-F393 PolarHBondContact O-N 2.76Å; T334-F393 VanDerWaalsContact O-N 3.12Å; T334-F393 WeakPolarHBondContact OG1-CD2 3.5Å
335	L	88.3	Confident	76.3	Confident	15 Å²	15	54.9 Å²	54.9	8%	0.079	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-3	176.7	-59.5	178.6	0	0	0	112.9	E332 Q333 K337 F393 L412 F422 K425 C426 F429	E332-L335 PolarHBondContact O-N 3.23Å; Q333-L335 PolarHBondContact O-N 2.98Å; Q333-L335 VanDerWaalsContact O-N 3.09Å; L335-K337 PolarHBondContact O-N 3.22Å; L335-F393 HydrophobicContact CD2-CB 4.18Å; L335-L412 HydrophobicContact CD2-CD2 3.96Å; L335-F422 HydrophobicContact CD1-CD2 3.97Å; L335-F422 HydrophobicContact CD1-CE2 3.34Å; L335-F422 HydrophobicContact CD1-CZ 3.85Å; L335-F422 HydrophobicContact CD2-CZ 4.35Å; L335-F422 HydrophobicContact CG-CE2 3.73Å; L335-F422 HydrophobicContact CG-CZ 4.05Å; L335-K425 HydrophobicContact CD1-CB 3.85Å; L335-C426 HydrophobicContact CD1-CB 4Å; L335-C426 HydrophobicContact CD2-CB 4.42Å; L335-F429 HydrophobicContact CB-CE2 3.93Å; L335-F429 HydrophobicContact CB-CZ 4.17Å; L335-F429 HydrophobicContact CD1-CE2 4.41Å; L335-F429 HydrophobicContact CD2-CD2 4.02Å; L335-F429 HydrophobicContact CD2-CE2 4.03Å; L335-F429 HydrophobicContact CD2-CG 4.49Å; L335-F429 HydrophobicContact CG-CE2 4.36Å; L335-F429 WeakPolarHBondContact O-CZ 3.32Å
336	D	81.8	Confident	74.9	Confident	40 Å²	40	55 Å²	55	21%	0.214	27%	0.269	C	S	.	.			trans	-79.1	122.8	-174.2	-160.2	-20.9	0	0	0	111.7	Q333 K338 G391	Q333-D336 VanDerWaalsContact O-CB 3.31Å; Q333-D336 WeakPolarHBondContact O-CB 3.48Å; Q333-D336 PolarHBondContact O-N 3.41Å; D336-K338 VanDerWaalsContact OD1-CB 3.3Å; D336-K338 WeakPolarHBondContact OD1-CB 3.21Å; D336-K338 VanDerWaalsContact OD1-CD 3.22Å; D336-K338 WeakPolarHBondContact OD1-CD 3.12Å; D336-K338 WeakPolarHBondContact OD1-CE 3.27Å; D336-K338 WeakPolarHBondContact OD1-CG 3.49Å; D336-K338 PolarHBondContact OD1-N 3.32Å; D336-K338 IonicContact OD1-NZ 3.66Å; D336-K338 WeakPolarHBondContact OD2-CD 3.27Å; D336-K338 VanDerWaalsContact OD2-CE 3.27Å; D336-K338 WeakPolarHBondContact OD2-CE 3.26Å; D336-K338 IonicContact OD2-NZ 2.85Å; D336-K338 PolarHBondContact OD2-NZ 3.15Å; D336-G391 WeakPolarHBondContact O-CA 3.14Å; D336-G391 PolarHBondContact O-N 3.01Å
337	K	76.3	Confident	73.4	Confident	54 Å²	54	59.5 Å²	59.5	24%	0.235	28%	0.284	C	S	.	.			trans	-86.1	-1.5	177.8	-60.5	-160.9	-179.9	-152.7	0	113.7	L335 L339 M340 S341 V394 E398 F429	L335-K337 PolarHBondContact O-N 3.22Å; K337-L339 PolarHBondContact O-N 3.22Å; K337-M340 HydrophobicContact CB-CE 4.09Å; K337-M340 HydrophobicContact CD-CE 4.31Å; K337-M340 HydrophobicContact CG-CE 3.93Å; K337-M340 PolarHBondContact O-N 3.12Å; K337-S341 PolarHBondContact O-OG 3.36Å; K337-V394 HydrophobicContact CD-CG1 4.31Å; K337-V394 HydrophobicContact CG-CG1 4.25Å; K337-V394 HydrophobicContact CG-CG2 4.25Å; K337-E398 IonicContact NZ-OE1 3.55Å; K337-E398 PolarHBondContact NZ-OE1 3.12Å; K337-F429 VanDerWaalsContact CE-CE1 3.41Å
338	K	65.6	Low	72.2	Confident	66 Å²	66	59.8 Å²	59.8	29%	0.287	29%	0.285	S	S	.	.	S	Bend	trans	-62.1	-38	-172.6	-75.1	165.4	-156.8	150.1	0	114.6	D336 M340 S341 L343 L377	D336-K338 VanDerWaalsContact OD1-CB 3.3Å; D336-K338 WeakPolarHBondContact OD1-CB 3.21Å; D336-K338 VanDerWaalsContact OD1-CD 3.22Å; D336-K338 WeakPolarHBondContact OD1-CD 3.12Å; D336-K338 WeakPolarHBondContact OD1-CE 3.27Å; D336-K338 WeakPolarHBondContact OD1-CG 3.49Å; D336-K338 PolarHBondContact OD1-N 3.32Å; D336-K338 IonicContact OD1-NZ 3.66Å; D336-K338 WeakPolarHBondContact OD2-CD 3.27Å; D336-K338 VanDerWaalsContact OD2-CE 3.27Å; D336-K338 WeakPolarHBondContact OD2-CE 3.26Å; D336-K338 IonicContact OD2-NZ 2.85Å; D336-K338 PolarHBondContact OD2-NZ 3.15Å; K338-M340 VanDerWaalsContact C-N 3.3Å; K338-M340 PolarHBondContact O-N 3.23Å; K338-S341 WeakPolarHBondContact CA-OG 3.29Å; K338-S341 PolarHBondContact O-N 3.2Å; K338-S341 PolarHBondContact O-OG 3.48Å; K338-L343 VanDerWaalsContact O-CA 3.23Å; K338-L343 WeakPolarHBondContact O-CA 3.24Å; K338-L343 PolarHBondContact O-N 3.13Å; K338-L377 HydrophobicContact CD-CD1 3.44Å; K338-L377 VanDerWaalsContact CD-CD1 3.44Å; K338-L377 HydrophobicContact CG-CD1 3.76Å
339	L	57.1	Low	71.2	Confident	76 Å²	76	59 Å²	59	40%	0.398	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.1	-35.4	178.2	-83.3	176.7	0	0	0	111.9	K337 S341 L343 C390	K337-L339 PolarHBondContact O-N 3.22Å; L339-S341 PolarHBondContact O-N 3.5Å; L339-L343 HydrophobicContact CD2-CD2 4.05Å; L339-C390 HydrophobicContact CD1-CB 3.33Å; L339-C390 WeakPolarHBondContact CD1-SG 3.23Å; L339-C390 HydrophobicContact CG-CB 4.21Å; L339-C390 VanDerWaalsContact CG-SG 3.56Å
340	M	55.7	Low	70.3	Confident	71 Å²	71	55.1 Å²	55.1	35%	0.35	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-73.3	-6.4	-179.9	-57.9	-163.4	-70.8	0	0	114	K337 K338 V394 H395	K337-M340 HydrophobicContact CB-CE 4.09Å; K337-M340 HydrophobicContact CD-CE 4.31Å; K337-M340 HydrophobicContact CG-CE 3.93Å; K337-M340 PolarHBondContact O-N 3.12Å; K338-M340 VanDerWaalsContact C-N 3.3Å; K338-M340 PolarHBondContact O-N 3.23Å; M340-V394 HydrophobicContact CE-CB 3.82Å; M340-V394 HydrophobicContact CE-CG1 3.33Å; M340-V394 HydrophobicContact CE-CG2 4.49Å; M340-H395 PolarHBondContact SD-CE1 3.23Å
341	S	56.7	Low	69.6	Low	23 Å²	23	56.5 Å²	56.5	16%	0.161	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-123.4	31	-173.1	42.7	0	0	0	0	112.2	K337 K338 L339 L343 R344	K337-S341 PolarHBondContact O-OG 3.36Å; K338-S341 WeakPolarHBondContact CA-OG 3.29Å; K338-S341 PolarHBondContact O-N 3.2Å; K338-S341 PolarHBondContact O-OG 3.48Å; L339-S341 PolarHBondContact O-N 3.5Å; S341-L343 VanDerWaalsContact C-N 3.25Å; S341-L343 PolarHBondContact O-N 3.06Å; S341-R344 WeakPolarHBondContact CB-O 3.45Å; S341-R344 WeakPolarHBondContact O-CB 3.36Å; S341-R344 VanDerWaalsContact O-CG 3.28Å; S341-R344 WeakPolarHBondContact O-CG 3.01Å; S341-R344 PolarHBondContact O-N 2.78Å; S341-R344 PolarHBondContact OG-O 2.87Å
342	D	58.5	Low	68.7	Low	134 Å²	134	59.7 Å²	59.7	72%	0.717	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	40.6	-176.4	-62	-31.5	0	0	0	112.8	R344	D342-R344 PolarHBondContact O-N 3.41Å
343	L	61.3	Low	67.7	Low	42 Å²	42	58.2 Å²	58.2	22%	0.22	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	25.2	-174	-57.7	172.2	0	0	0	114	K338 L339 S341 L377 T379 V382	K338-L343 VanDerWaalsContact O-CA 3.23Å; K338-L343 WeakPolarHBondContact O-CA 3.24Å; K338-L343 PolarHBondContact O-N 3.13Å; L339-L343 HydrophobicContact CD2-CD2 4.05Å; S341-L343 VanDerWaalsContact C-N 3.25Å; S341-L343 PolarHBondContact O-N 3.06Å; L343-L377 PolarHBondContact O-N 3.35Å; L343-T379 HydrophobicContact CD1-CG2 4.18Å; L343-V382 HydrophobicContact CD2-CG1 4.27Å; L343-V382 HydrophobicContact CD2-CG2 4.37Å
344	R	56.5	Low	67	Low	101 Å²	101	63 Å²	63	38%	0.381	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128.1	175.6	-51.6	178.4	-174	-173	5.8	110	S341 D342 K346 P373 E375	S341-R344 WeakPolarHBondContact CB-O 3.45Å; S341-R344 WeakPolarHBondContact O-CB 3.36Å; S341-R344 VanDerWaalsContact O-CG 3.28Å; S341-R344 WeakPolarHBondContact O-CG 3.01Å; S341-R344 PolarHBondContact O-N 2.78Å; S341-R344 PolarHBondContact OG-O 2.87Å; D342-R344 PolarHBondContact O-N 3.41Å; R344-K346 PolarHBondContact O-N 3.41Å; R344-P373 HydrophobicContact CB-CB 3.71Å; R344-E375 WeakPolarHBondContact CA-O 3.26Å
345	R	59.2	Low	66.1	Low	94 Å²	94	66.9 Å²	66.9	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	113.4	177.5	-170.4	177.5	178.4	-175.8	0.2	110.3	E351 E375 L377	R345-E351 IonicContact NH2-OE1 2.69Å; R345-E351 PolarHBondContact NH2-OE1 3.49Å; R345-E375 HydrophobicContact CB-CB 4.42Å; R345-E375 PolarHBondContact N-O 3.31Å; R345-L377 HydrophobicContact CB-CD1 4.44Å
346	K	61.9	Low	65.2	Low	95 Å²	95	69.2 Å²	69.2	41%	0.413	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-96.2	120.5	164.1	-169.3	174.9	-175	178.3	0	108.5	R344 D371	R344-K346 PolarHBondContact O-N 3.41Å; K346-D371 WeakPolarHBondContact CE-O 3.43Å; K346-D371 VanDerWaalsContact CE-OD2 3.32Å; K346-D371 WeakPolarHBondContact CE-OD2 3.48Å; K346-D371 IonicContact NZ-OD1 3.15Å; K346-D371 IonicContact NZ-OD2 2.86Å; K346-D371 PolarHBondContact NZ-OD2 3.27Å
347	R	62.2	Low	64.4	Low	107 Å²	107	73.5 Å²	73.5	40%	0.404	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-70.8	135.6	176.5	-68.6	-175.6	-178.8	170.8	-2.3	109.9	E351 R352 E355	R347-E351 WeakPolarHBondContact CA-OE2 3.4Å; R347-E351 HydrophobicContact CB-CB 4.38Å; R347-R352 HydrophobicContact CB-CG 3.9Å; R347-E355 IonicContact CZ-OE1 3.98Å; R347-E355 IonicContact CZ-OE2 3.06Å; R347-E355 IonicContact NE-OE1 2.96Å; R347-E355 IonicContact NE-OE2 2.71Å; R347-E355 VanDerWaalsContact NH1-CD 3.33Å; R347-E355 IonicContact NH1-OE1 3.82Å; R347-E355 PolarHBondContact NH1-OE1 2.85Å; R347-E355 IonicContact NH1-OE2 3.67Å; R347-E355 PolarHBondContact NH1-OE2 2.82Å; R347-E355 IonicContact NH2-OE1 3.25Å
348	T	64.3	Low	64.2	Low	35 Å²	35	75 Å²	75	22%	0.215	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-67.2	162.3	173.2	69.7	0	0	0	0	110.4	H350 E351 R352	T348-H350 PolarHBondContact O-N 3.46Å; T348-E351 PolarHBondContact N-OE2 3.11Å; T348-E351 PolarHBondContact O-N 3.16Å; T348-E351 WeakPolarHBondContact OG1-CB 3.41Å; T348-E351 WeakPolarHBondContact OG1-CG 3.46Å; T348-E351 PolarHBondContact OG1-N 3.44Å; T348-R352 PolarHBondContact O-N 3.21Å
349	A	66.2	Low	64.4	Low	65 Å²	65	75 Å²	75	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-57.4	-42.5	172.9	0	0	0	0	0	110.7	R352 A353	A349-R352 PolarHBondContact O-N 3.37Å; A349-A353 WeakPolarHBondContact O-CB 3.44Å; A349-A353 PolarHBondContact O-N 2.99Å
350	H	65.9	Low	64.6	Low	15 Å²	15	74.7 Å²	74.7	7%	0.069	40%	0.398	C	S	.	.	H	α-helix	trans	-66.4	-40.1	176.9	-69.4	-62.9	0	0	0	113.9	T348 R352 A353 K354 D428 D432 D461	T348-H350 PolarHBondContact O-N 3.46Å; H350-R352 VanDerWaalsContact C-N 3.28Å; H350-R352 PolarHBondContact O-N 2.99Å; H350-A353 PolarHBondContact O-N 3.39Å; H350-K354 VanDerWaalsContact O-CB 3.23Å; H350-K354 WeakPolarHBondContact O-CB 3.48Å; H350-K354 PolarHBondContact O-N 3.47Å; H350-D428 HydrophobicContact CB-CB 4.16Å; H350-D428 VanDerWaalsContact CB-CG 3.43Å; H350-D428 WeakPolarHBondContact CB-OD2 3.46Å; H350-D428 IonicContact CD2-OD1 3.6Å; H350-D428 IonicContact CG-OD1 3.52Å; H350-D432 IonicContact CD2-OD1 2.84Å; H350-D432 IonicContact NE2-OD1 3.74Å; H350-D432 PolarHBondContact NE2-OD1 3.09Å; H350-D461 IonicContact CE1-OD2 3.33Å; H350-D461 IonicContact CG-OD2 3.83Å; H350-D461 IonicContact ND1-OD2 2.6Å; H350-D461 PolarHBondContact ND1-OD2 2.77Å
351	E	70.4	Confident	64.6	Low	58 Å²	58	78 Å²	78	27%	0.271	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-40.2	174.3	-80.3	-177.7	133.6	0	0	111.4	R345 R347 T348 E355	R345-E351 IonicContact NH2-OE1 2.69Å; R345-E351 PolarHBondContact NH2-OE1 3.49Å; R347-E351 WeakPolarHBondContact CA-OE2 3.4Å; R347-E351 HydrophobicContact CB-CB 4.38Å; T348-E351 PolarHBondContact N-OE2 3.11Å; T348-E351 PolarHBondContact O-N 3.16Å; T348-E351 WeakPolarHBondContact OG1-CB 3.41Å; T348-E351 WeakPolarHBondContact OG1-CG 3.46Å; T348-E351 PolarHBondContact OG1-N 3.44Å; E351-E355 WeakPolarHBondContact O-CG 3.41Å; E351-E355 PolarHBondContact O-N 2.76Å
352	R	71	Confident	64.2	Low	77 Å²	77	86.5 Å²	86.5	29%	0.291	45%	0.447	S	S	.	.	H	α-helix	trans	-67.6	-44.6	175.5	-70.1	-177.2	-72.4	177.4	-12.6	111.8	R347 T348 A349 H350 K354 E355 L356 D371	R347-R352 HydrophobicContact CB-CG 3.9Å; T348-R352 PolarHBondContact O-N 3.21Å; A349-R352 PolarHBondContact O-N 3.37Å; H350-R352 VanDerWaalsContact C-N 3.28Å; H350-R352 PolarHBondContact O-N 2.99Å; R352-K354 VanDerWaalsContact C-N 3.3Å; R352-K354 PolarHBondContact O-N 2.81Å; R352-E355 PolarHBondContact O-N 3.5Å; R352-L356 WeakPolarHBondContact O-CB 3.5Å; R352-L356 VanDerWaalsContact O-CG 3.27Å; R352-L356 WeakPolarHBondContact O-CG 3.28Å; R352-L356 PolarHBondContact O-N 3.42Å; R352-D371 IonicContact CZ-OD1 2.82Å; R352-D371 IonicContact NH1-OD1 3.55Å; R352-D371 PolarHBondContact NH1-OD1 3.41Å; R352-D371 IonicContact NH2-OD1 3.89Å; R352-D371 PolarHBondContact NH2-OD1 3.5Å
353	A	67.4	Low	63.7	Low	32 Å²	32	83.9 Å²	83.9	26%	0.264	44%	0.439	S	S	.	.	H	α-helix	trans	-60.8	-41.5	176.3	0	0	0	0	0	111.3	A349 H350 L356 F357 D461	A349-A353 WeakPolarHBondContact O-CB 3.44Å; A349-A353 PolarHBondContact O-N 2.99Å; H350-A353 PolarHBondContact O-N 3.39Å; A353-L356 PolarHBondContact O-N 2.89Å; A353-F357 VanDerWaalsContact O-CB 3.3Å; A353-F357 WeakPolarHBondContact O-CB 3.33Å; A353-F357 PolarHBondContact O-N 2.86Å; A353-D461 HydrophobicContact CB-CB 4.31Å
354	K	71.1	Confident	63.2	Low	123 Å²	123	85.8 Å²	85.8	54%	0.535	46%	0.456	S	S	.	.	H	α-helix	trans	-63.4	-42.8	175.7	-175.7	179.2	-178.8	177.3	0	112.5	H350 R352 F357 A358	H350-K354 VanDerWaalsContact O-CB 3.23Å; H350-K354 WeakPolarHBondContact O-CB 3.48Å; H350-K354 PolarHBondContact O-N 3.47Å; R352-K354 VanDerWaalsContact C-N 3.3Å; R352-K354 PolarHBondContact O-N 2.81Å; K354-F357 PolarHBondContact O-N 2.88Å; K354-A358 VanDerWaalsContact O-CB 3.27Å; K354-A358 WeakPolarHBondContact O-CB 3.42Å; K354-A358 PolarHBondContact O-N 3.3Å
355	E	70.7	Confident	63	Low	82 Å²	82	84.2 Å²	84.2	38%	0.383	47%	0.471	S	S	.	.	H	α-helix	trans	-65.7	-42.4	175.1	-78.4	177.9	168.1	0	0	112	R347 E351 R352 F357 A358 S359	R347-E355 IonicContact CZ-OE1 3.98Å; R347-E355 IonicContact CZ-OE2 3.06Å; R347-E355 IonicContact NE-OE1 2.96Å; R347-E355 IonicContact NE-OE2 2.71Å; R347-E355 VanDerWaalsContact NH1-CD 3.33Å; R347-E355 IonicContact NH1-OE1 3.82Å; R347-E355 PolarHBondContact NH1-OE1 2.85Å; R347-E355 IonicContact NH1-OE2 3.67Å; R347-E355 PolarHBondContact NH1-OE2 2.82Å; R347-E355 IonicContact NH2-OE1 3.25Å; E351-E355 WeakPolarHBondContact O-CG 3.41Å; E351-E355 PolarHBondContact O-N 2.76Å; R352-E355 PolarHBondContact O-N 3.5Å; E355-F357 VanDerWaalsContact C-N 3.33Å; E355-A358 PolarHBondContact O-N 3.31Å; E355-S359 VanDerWaalsContact O-CB 3.28Å; E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 2.81Å; E355-S359 PolarHBondContact O-OG 2.83Å; E355-S359 VanDerWaalsContact O-OG 3.08Å
356	L	69.3	Low	62.5	Low	63 Å²	63	90.7 Å²	90.7	33%	0.33	50%	0.495	S	S	.	.	H	α-helix	trans	-61.8	-42.4	174.8	-72.4	165	0	0	0	111.5	R352 A353 S359 G360 E361	R352-L356 WeakPolarHBondContact O-CB 3.5Å; R352-L356 VanDerWaalsContact O-CG 3.27Å; R352-L356 WeakPolarHBondContact O-CG 3.28Å; R352-L356 PolarHBondContact O-N 3.42Å; A353-L356 PolarHBondContact O-N 2.89Å; L356-S359 PolarHBondContact O-N 2.81Å; L356-S359 PolarHBondContact O-OG 2.82Å; L356-G360 PolarHBondContact O-N 3.38Å; L356-E361 WeakPolarHBondContact CD2-O 3.31Å; L356-E361 PolarHBondContact O-N 2.74Å
357	F	65.7	Low	61.9	Low	130 Å²	130	92.4 Å²	92.4	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-63.4	-44.7	175	-176.9	-93.9	0	0	0	111.5	A353 K354 E355	A353-F357 VanDerWaalsContact O-CB 3.3Å; A353-F357 WeakPolarHBondContact O-CB 3.33Å; A353-F357 PolarHBondContact O-N 2.86Å; K354-F357 PolarHBondContact O-N 2.88Å; E355-F357 VanDerWaalsContact C-N 3.33Å
358	A	70.9	Confident	61.1	Low	86 Å²	86	99.4 Å²	99.4	71%	0.711	53%	0.529	S	S	*	.	H	α-helix	trans	-70.3	-31.9	179.1	0	0	0	0	0	113.3	K354 E355	K354-A358 VanDerWaalsContact O-CB 3.27Å; K354-A358 WeakPolarHBondContact O-CB 3.42Å; K354-A358 PolarHBondContact O-N 3.3Å; E355-A358 PolarHBondContact O-N 3.31Å
359	S	71	Confident	60.5	Low	66 Å²	66	101.5 Å²	101.5	46%	0.462	55%	0.55	S	S	.	*	H	α-helix	trans	-83.7	-18.7	178.8	70.4	0	0	0	0	113.4	E355 L356 E361	E355-S359 VanDerWaalsContact O-CB 3.28Å; E355-S359 WeakPolarHBondContact O-CB 3.3Å; E355-S359 PolarHBondContact O-N 2.81Å; E355-S359 PolarHBondContact O-OG 2.83Å; E355-S359 VanDerWaalsContact O-OG 3.08Å; L356-S359 PolarHBondContact O-N 2.81Å; L356-S359 PolarHBondContact O-OG 2.82Å; S359-E361 PolarHBondContact O-N 2.77Å; S359-E361 PolarHBondContact OG-N 2.83Å
360	G	60.4	Low	59.8	Low	69 Å²	69	101.6 Å²	101.6	71%	0.711	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	11.6	-175	0	0	0	0	0	113.8	L356	L356-G360 PolarHBondContact O-N 3.38Å
361	E	56.9	Low	59.2	Low	140 Å²	140	103.8 Å²	103.8	65%	0.654	55%	0.554	S	S	*	*			trans	-89.8	127.7	179.6	-67.5	-173.9	160.2	0	0	111	L356 S359	L356-E361 WeakPolarHBondContact CD2-O 3.31Å; L356-E361 PolarHBondContact O-N 2.74Å; S359-E361 PolarHBondContact O-N 2.77Å; S359-E361 PolarHBondContact OG-N 2.83Å
362	F	48.3	Very low	58.4	Low	203 Å²	203	103.6 Å²	103.6	89%	0.89	56%	0.563	S	S	*	*			trans	-73.3	131.4	176.4	-142.1	-93.4	0	0	0	110.5	S364	F362-S364 PolarHBondContact O-N 2.86Å; F362-S364 VanDerWaalsContact O-N 3.12Å
363	S	47.5	Very low	57.8	Low	79 Å²	79	102.5 Å²	102.5	55%	0.552	57%	0.566	S	S	*	*			trans	-63.7	113.7	175.2	-178.1	0	0	0	0	110.1	G365	S363-G365 PolarHBondContact O-N 3.31Å
364	S	49.4	Very low	57.4	Low	82 Å²	82	107.8 Å²	107.8	57%	0.573	58%	0.582	S	S	*	*			trans	-76	14.1	-173.5	77.3	0	0	0	0	114.5	F362 R366	F362-S364 PolarHBondContact O-N 2.86Å; F362-S364 VanDerWaalsContact O-N 3.12Å; S364-R366 WeakPolarHBondContact O-CG 3.33Å; S364-R366 PolarHBondContact O-N 2.94Å
365	G	53.1	Low	56.8	Low	68 Å²	68	106.7 Å²	106.7	70%	0.701	58%	0.579	S	S	*	*	S	Bend	trans	58	0.8	174.9	0	0	0	0	0	117.1	S363	S363-G365 PolarHBondContact O-N 3.31Å
366	R	48.8	Very low	56	Low	230 Å²	230	111 Å²	111	87%	0.868	60%	0.597	S	S	*	*			trans	-109.2	6.9	-167.4	-80.8	-175.6	176.7	-175	0.2	114.9	S364	S364-R366 WeakPolarHBondContact O-CG 3.33Å; S364-R366 PolarHBondContact O-N 2.94Å
367	K	49.4	Very low	55.5	Low	131 Å²	131	110 Å²	110	57%	0.57	59%	0.592	S	S	*	*			trans	-120.9	76.2	-172.5	-66.7	-177.2	-178.3	174.4	0	112.5	A369 D370	K367-A369 PolarHBondContact O-N 2.89Å; K367-D370 HydrophobicContact CB-CB 4.21Å; K367-D370 WeakPolarHBondContact CB-OD2 3.38Å; K367-D370 WeakPolarHBondContact CD-OD2 3.41Å; K367-D370 PolarHBondContact O-N 3.35Å
368	W	45.3	Very low	54.7	Low	253 Å²	253	108.4 Å²	108.4	96%	0.958	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-59.5	-22.4	162.9	-76	9.1	0	0	0	112.3	D370	W368-D370 VanDerWaalsContact C-N 3.26Å; W368-D370 PolarHBondContact O-N 3.45Å
369	A	51	Low	53.8	Low	79 Å²	79	108 Å²	108	65%	0.653	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-73	-7.7	176.2	0	0	0	0	0	114.9	K367	K367-A369 PolarHBondContact O-N 2.89Å
370	D	52.8	Low	52.7	Low	68 Å²	68	111.3 Å²	111.3	36%	0.364	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-81.3	-12.8	178.7	-87.7	-25.6	0	0	0	114.1	K367 W368 A372 K374	K367-D370 HydrophobicContact CB-CB 4.21Å; K367-D370 WeakPolarHBondContact CB-OD2 3.38Å; K367-D370 WeakPolarHBondContact CD-OD2 3.41Å; K367-D370 PolarHBondContact O-N 3.35Å; W368-D370 VanDerWaalsContact C-N 3.26Å; W368-D370 PolarHBondContact O-N 3.45Å; D370-A372 VanDerWaalsContact C-N 3.32Å; D370-K374 IonicContact OD1-NZ 2.69Å; D370-K374 PolarHBondContact OD1-NZ 2.84Å
371	D	51.7	Low	52.1	Low	60 Å²	60	112.7 Å²	112.7	32%	0.321	59%	0.585	S	S	.	*	G	3₁₀ helix	trans	-84	-4.6	176.7	-158.1	54.8	0	0	0	113.7	K346 R352	K346-D371 WeakPolarHBondContact CE-O 3.43Å; K346-D371 VanDerWaalsContact CE-OD2 3.32Å; K346-D371 WeakPolarHBondContact CE-OD2 3.48Å; K346-D371 IonicContact NZ-OD1 3.15Å; K346-D371 IonicContact NZ-OD2 2.86Å; K346-D371 PolarHBondContact NZ-OD2 3.27Å; R352-D371 IonicContact CZ-OD1 2.82Å; R352-D371 IonicContact NH1-OD1 3.55Å; R352-D371 PolarHBondContact NH1-OD1 3.41Å; R352-D371 IonicContact NH2-OD1 3.89Å; R352-D371 PolarHBondContact NH2-OD1 3.5Å
372	A	55.4	Low	51.9	Low	55 Å²	55	107.8 Å²	107.8	46%	0.455	56%	0.564	S	S	.	*	S	Bend	trans	-71.8	136.1	179.2	0	0	0	0	0	110.7	D370 K374	D370-A372 VanDerWaalsContact C-N 3.32Å; A372-K374 VanDerWaalsContact O-CG 3.23Å; A372-K374 WeakPolarHBondContact O-CG 3.37Å; A372-K374 PolarHBondContact O-N 3.05Å; A372-K374 VanDerWaalsContact O-N 3.16Å
373	P	57.5	Low	52	Low	54 Å²	54	103 Å²	103	35%	0.351	55%	0.548	S	S	.	.			trans	-63	116.2	174.6	18.5	-24.7	0	0	0	110.4	R344	R344-P373 HydrophobicContact CB-CB 3.71Å
374	K	59.4	Low	52	Low	142 Å²	142	105.1 Å²	105.1	62%	0.617	55%	0.553	S	S	*	*			trans	-96.8	-26	-167.9	-62.3	-175.4	-179.1	170.5	0	114.6	D370 A372	D370-K374 IonicContact OD1-NZ 2.69Å; D370-K374 PolarHBondContact OD1-NZ 2.84Å; A372-K374 VanDerWaalsContact O-CG 3.23Å; A372-K374 WeakPolarHBondContact O-CG 3.37Å; A372-K374 PolarHBondContact O-N 3.05Å; A372-K374 VanDerWaalsContact O-N 3.16Å
375	E	58.7	Low	51.9	Low	100 Å²	100	104.7 Å²	104.7	47%	0.467	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	115.1	-167.6	-160.1	170.9	-160.3	0	0	110.7	R344 R345	R344-E375 WeakPolarHBondContact CA-O 3.26Å; R345-E375 HydrophobicContact CB-CB 4.42Å; R345-E375 PolarHBondContact N-O 3.31Å
376	K	54.3	Low	51.8	Low	174 Å²	174	101.9 Å²	101.9	76%	0.757	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	114.5	167	-76	-175.5	178.6	-178	0	107.4
377	L	57.9	Low	52.3	Low	42 Å²	42	94.4 Å²	94.4	22%	0.22	50%	0.497	C	S	.	.			trans	-78.4	143.5	177	-65.7	168	0	0	0	109.8	K338 L343 R345 T379	K338-L377 HydrophobicContact CD-CD1 3.44Å; K338-L377 VanDerWaalsContact CD-CD1 3.44Å; K338-L377 HydrophobicContact CG-CD1 3.76Å; L343-L377 PolarHBondContact O-N 3.35Å; R345-L377 HydrophobicContact CB-CD1 4.44Å; L377-T379 PolarHBondContact O-N 3.29Å
378	D	49.5	Very low	53.1	Low	96 Å²	96	89.3 Å²	89.3	51%	0.513	48%	0.481	S	S	.	.			trans	-67.5	126.5	176.4	-168.6	-1.9	0	0	0	109.1	N380 T381	D378-N380 PolarHBondContact O-N 2.92Å; D378-T381 HydrophobicContact CB-CG2 4.14Å; D378-T381 PolarHBondContact O-N 3.04Å; D378-T381 PolarHBondContact O-OG1 2.9Å
379	T	51.8	Low	54.5	Low	78 Å²	78	77.2 Å²	77.2	48%	0.479	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-22	-175.1	42.3	0	0	0	0	112.8	L343 L377	L343-T379 HydrophobicContact CD1-CG2 4.18Å; L377-T379 PolarHBondContact O-N 3.29Å
380	N	48.1	Very low	56.1	Low	135 Å²	135	74.5 Å²	74.5	72%	0.722	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.2	177.2	-64.2	-21.1	0	0	0	114	D378	D378-N380 PolarHBondContact O-N 2.92Å
381	T	47.8	Very low	57.7	Low	98 Å²	98	71.3 Å²	71.3	60%	0.601	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-17.2	177	61	0	0	0	0	113	D378	D378-T381 HydrophobicContact CB-CG2 4.14Å; D378-T381 PolarHBondContact O-N 3.04Å; D378-T381 PolarHBondContact O-OG1 2.9Å
382	V	51.4	Low	59.6	Low	36 Å²	36	68.5 Å²	68.5	22%	0.218	38%	0.379	C	S	.	.	S	Bend	trans	-96.7	105.1	173.8	-176.8	0	0	0	0	106.5	L343 L384	L343-V382 HydrophobicContact CD2-CG1 4.27Å; L343-V382 HydrophobicContact CD2-CG2 4.37Å; V382-L384 VanDerWaalsContact C-N 3.27Å; V382-L384 PolarHBondContact O-N 3.43Å
383	N	51.7	Low	61.5	Low	104 Å²	104	66 Å²	66	56%	0.556	36%	0.358	S	S	*	.			trans	-62.2	90.2	173.3	-85.3	-15.3	0	0	0	109.4	I385 A386	N383-I385 PolarHBondContact O-N 2.96Å; N383-A386 PolarHBondContact O-N 3.13Å
384	L	46.4	Very low	63.1	Low	123 Å²	123	63.4 Å²	63.4	64%	0.644	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-56.4	-14.8	178.7	-93	112.1	0	0	0	113.8	V382 A386	V382-L384 VanDerWaalsContact C-N 3.27Å; V382-L384 PolarHBondContact O-N 3.43Å; L384-A386 PolarHBondContact O-N 3.22Å
385	I	48.2	Very low	64.6	Low	72 Å²	72	60.1 Å²	60.1	37%	0.369	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-70.1	-19.3	178.4	-55.6	177.7	0	0	0	111.1	I284 E289 N383	I284-I385 HydrophobicContact CD1-CG2 3.43Å; I284-I385 VanDerWaalsContact CD1-CG2 3.43Å; I284-I385 HydrophobicContact CG2-CG2 4.44Å; E289-I385 HydrophobicContact CG-CD1 4.39Å; E289-I385 WeakPolarHBondContact OE1-CD1 3.49Å; E289-I385 WeakPolarHBondContact OE2-CD1 3.46Å; N383-I385 PolarHBondContact O-N 2.96Å
386	A	51.2	Low	66.3	Low	10 Å²	10	55.3 Å²	55.3	8%	0.083	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-100.7	21.8	-178.9	0	0	0	0	0	114.3	F330 N383 L384 G388 A389	F330-A386 HydrophobicContact CE1-CB 3.92Å; F330-A386 HydrophobicContact CZ-CB 4.25Å; N383-A386 PolarHBondContact O-N 3.13Å; L384-A386 PolarHBondContact O-N 3.22Å; A386-G388 PolarHBondContact O-N 3.13Å; A386-G388 VanDerWaalsContact O-N 3.09Å; A386-A389 PolarHBondContact O-N 3.1Å
387	S	58	Low	68.2	Low	73 Å²	73	47.4 Å²	47.4	51%	0.51	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.6	-170.1	-174.1	0	0	0	0	115.5
388	G	66.8	Low	69.9	Low	23 Å²	23	51.3 Å²	51.3	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.1	-175.6	0	0	0	0	0	114.4	G299 S302 H303 A386	G299-G388 CarbonylContact O-C 3.25Å; G299-G388 VanDerWaalsContact O-C 3.25Å; G299-G388 WeakPolarHBondContact O-CA 3.4Å; S302-G388 CarbonylContact C-O 3.59Å; S302-G388 WeakPolarHBondContact CB-O 3.49Å; H303-G388 PolarHBondContact N-O 2.96Å; H303-G388 VanDerWaalsContact N-O 3.1Å; A386-G388 PolarHBondContact O-N 3.13Å; A386-G388 VanDerWaalsContact O-N 3.09Å
389	A	75.8	Confident	72.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-23.8	-178.1	0	0	0	0	0	113.6	F298 F330 Q333 T334 A386 G391 A392	F298-A389 HydrophobicContact CD1-CB 4.33Å; F298-A389 HydrophobicContact CE1-CB 4.35Å; F330-A389 HydrophobicContact CD1-CB 4.13Å; Q333-A389 HydrophobicContact CB-CB 4.48Å; T334-A389 WeakPolarHBondContact CA-O 3.5Å; T334-A389 HydrophobicContact CG2-CB 4.45Å; T334-A389 WeakPolarHBondContact CG2-O 3.46Å; T334-A389 PolarHBondContact N-O 3.19Å; A386-A389 PolarHBondContact O-N 3.1Å; A389-G391 PolarHBondContact O-N 3.23Å; A389-A392 PolarHBondContact O-N 3.01Å
390	C	83.7	Confident	74.1	Confident	21 Å²	21	50.9 Å²	50.9	14%	0.142	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	125	-166	-178.9	0	0	0	0	112.3	Q333 L339 A392	Q333-C390 VanDerWaalsContact O-CA 3.29Å; Q333-C390 WeakPolarHBondContact O-CA 3.3Å; L339-C390 HydrophobicContact CD1-CB 3.33Å; L339-C390 WeakPolarHBondContact CD1-SG 3.23Å; L339-C390 HydrophobicContact CG-CB 4.21Å; L339-C390 VanDerWaalsContact CG-SG 3.56Å; C390-A392 PolarHBondContact O-N 3.36Å
391	G	87.1	Confident	76.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.01	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.3	6.9	179.7	0	0	0	0	0	115.7	Q333 T334 D336 A389 F393 V394 H395	Q333-G391 PolarHBondContact O-N 3.02Å; T334-G391 CarbonylContact O-C 3.52Å; T334-G391 VanDerWaalsContact O-C 3.28Å; T334-G391 WeakPolarHBondContact O-CA 3.37Å; D336-G391 WeakPolarHBondContact O-CA 3.14Å; D336-G391 PolarHBondContact O-N 3.01Å; A389-G391 PolarHBondContact O-N 3.23Å; G391-F393 PolarHBondContact O-N 2.93Å; G391-V394 WeakPolarHBondContact O-CB 3.06Å; G391-V394 PolarHBondContact O-N 3.15Å; G391-V394 VanDerWaalsContact O-N 3.1Å; G391-H395 PolarHBondContact O-CD2 3.42Å; G391-H395 VanDerWaalsContact O-CD2 3.28Å; G391-H395 PolarHBondContact O-N 2.84Å
392	A	91.4	Very high	78.7	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-44.8	-174.4	0	0	0	0	0	113.7	V305 T334 A389 C390 V394 H395 G396	V305-A392 WeakPolarHBondContact CG1-O 3.47Å; V305-A392 HydrophobicContact CG2-CB 4.44Å; T334-A392 PolarHBondContact O-N 3.13Å; A389-A392 PolarHBondContact O-N 3.01Å; C390-A392 PolarHBondContact O-N 3.36Å; A392-V394 VanDerWaalsContact C-N 3.35Å; A392-H395 PolarHBondContact O-N 2.96Å; A392-G396 PolarHBondContact O-N 2.86Å
393	F	94.1	Very high	80.9	Confident	1 Å²	1	46.3 Å²	46.3	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-73	-29.6	176.2	-79	-52.2	0	0	0	112.5	L320 T334 L335 G391 H395 G396 L397 A408 A411 L412 L415 F422	L320-F393 HydrophobicContact CB-CZ 4.08Å; L320-F393 HydrophobicContact CD1-CE1 4.48Å; L320-F393 HydrophobicContact CD1-CZ 4.42Å; T334-F393 HydrophobicContact CG2-CD2 4.21Å; T334-F393 HydrophobicContact CG2-CE2 4.36Å; T334-F393 PolarHBondContact O-N 2.76Å; T334-F393 VanDerWaalsContact O-N 3.12Å; T334-F393 WeakPolarHBondContact OG1-CD2 3.5Å; L335-F393 HydrophobicContact CD2-CB 4.18Å; G391-F393 PolarHBondContact O-N 2.93Å; F393-H395 VanDerWaalsContact C-N 3.33Å; F393-G396 PolarHBondContact O-N 3.37Å; F393-L397 WeakPolarHBondContact O-CB 3.5Å; F393-L397 VanDerWaalsContact O-CG 3.23Å; F393-L397 WeakPolarHBondContact O-CG 3.29Å; F393-L397 PolarHBondContact O-N 3.09Å; F393-A408 HydrophobicContact CD1-CB 4.28Å; F393-A411 HydrophobicContact CE1-CB 3.6Å; F393-A411 HydrophobicContact CZ-CB 3.89Å; F393-L412 HydrophobicContact CB-CD1 4.38Å; F393-L412 HydrophobicContact CB-CD2 4.04Å; F393-L412 HydrophobicContact CB-CG 4.35Å; F393-L412 HydrophobicContact CD1-CD2 4.16Å; F393-L412 HydrophobicContact CD1-CG 3.95Å; F393-L412 HydrophobicContact CD2-CD2 3.39Å; F393-L412 HydrophobicContact CD2-CG 4.1Å; F393-L412 HydrophobicContact CE1-CG 4.31Å; F393-L412 HydrophobicContact CE2-CD2 3.85Å; F393-L412 HydrophobicContact CE2-CG 4.45Å; F393-L412 HydrophobicContact CG-CD1 4.42Å; F393-L412 HydrophobicContact CG-CD2 3.61Å; F393-L412 HydrophobicContact CG-CG 3.89Å; F393-L412 HydrophobicContact CZ-CD2 4.41Å; F393-L415 HydrophobicContact CE2-CD1 3.56Å; F393-L415 HydrophobicContact CZ-CD1 3.54Å; F393-F422 HydrophobicContact CD2-CZ 4.41Å; F393-F422 HydrophobicContact CE2-CZ 4.49Å
394	V	91.7	Very high	83.1	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.6	-45.3	174.2	-167.7	0	0	0	0	110.2	K337 M340 G391 A392 L397 E398 F429	K337-V394 HydrophobicContact CD-CG1 4.31Å; K337-V394 HydrophobicContact CG-CG1 4.25Å; K337-V394 HydrophobicContact CG-CG2 4.25Å; M340-V394 HydrophobicContact CE-CB 3.82Å; M340-V394 HydrophobicContact CE-CG1 3.33Å; M340-V394 HydrophobicContact CE-CG2 4.49Å; G391-V394 WeakPolarHBondContact O-CB 3.06Å; G391-V394 PolarHBondContact O-N 3.15Å; G391-V394 VanDerWaalsContact O-N 3.1Å; A392-V394 VanDerWaalsContact C-N 3.35Å; V394-L397 PolarHBondContact O-N 2.96Å; V394-E398 WeakPolarHBondContact O-CB 3.48Å; V394-E398 WeakPolarHBondContact O-CG 3.26Å; V394-E398 PolarHBondContact O-N 3.48Å; V394-F429 HydrophobicContact CG1-CE1 4.28Å; V394-F429 HydrophobicContact CG2-CE1 3.7Å; V394-F429 HydrophobicContact CG2-CZ 4.16Å
395	H	90.5	Very high	85.5	Confident	73 Å²	73	36.5 Å²	36.5	34%	0.338	19%	0.19	S	C	.	.	H	α-helix	trans	-61.4	-44.1	172.7	-75.4	-58.9	0	0	0	112.8	M340 G391 A392 F393 L397 E398 D399	M340-H395 PolarHBondContact SD-CE1 3.23Å; G391-H395 PolarHBondContact O-CD2 3.42Å; G391-H395 VanDerWaalsContact O-CD2 3.28Å; G391-H395 PolarHBondContact O-N 2.84Å; A392-H395 PolarHBondContact O-N 2.96Å; F393-H395 VanDerWaalsContact C-N 3.33Å; H395-L397 VanDerWaalsContact C-N 3.32Å; H395-L397 PolarHBondContact O-N 2.94Å; H395-E398 CarbonylContact O-C 3.36Å; H395-E398 PolarHBondContact O-N 3.09Å; H395-D399 PolarHBondContact O-N 3.14Å; H395-D399 VanDerWaalsContact O-N 3.15Å
396	G	94.4	Very high	87.9	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.3	-34.2	179.3	0	0	0	0	0	113.8	A392 F393 D399 R405	A392-G396 PolarHBondContact O-N 2.86Å; F393-G396 PolarHBondContact O-N 3.37Å; G396-D399 WeakPolarHBondContact O-CB 3.27Å; G396-R405 WeakPolarHBondContact O-CA 3.39Å
397	L	95.2	Very high	90.1	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-76.9	-32.1	176.6	-69.9	179.4	0	0	0	113	F393 V394 H395 D399 R405 A408 V409 L412 F429 M433	F393-L397 WeakPolarHBondContact O-CB 3.5Å; F393-L397 VanDerWaalsContact O-CG 3.23Å; F393-L397 WeakPolarHBondContact O-CG 3.29Å; F393-L397 PolarHBondContact O-N 3.09Å; V394-L397 PolarHBondContact O-N 2.96Å; H395-L397 VanDerWaalsContact C-N 3.32Å; H395-L397 PolarHBondContact O-N 2.94Å; L397-D399 VanDerWaalsContact C-N 3.3Å; L397-R405 WeakPolarHBondContact O-CD 3.31Å; L397-R405 WeakPolarHBondContact O-CG 3.24Å; L397-A408 HydrophobicContact CD2-CB 4.05Å; L397-A408 HydrophobicContact CG-CB 4.43Å; L397-V409 HydrophobicContact CD2-CB 4.49Å; L397-V409 HydrophobicContact CD2-CG2 3.43Å; L397-V409 VanDerWaalsContact CD2-CG2 3.43Å; L397-L412 HydrophobicContact CD1-CD1 3.72Å; L397-L412 HydrophobicContact CD2-CD1 4.1Å; L397-L412 HydrophobicContact CG-CD1 4.15Å; L397-F429 HydrophobicContact CD1-CB 3.7Å; L397-F429 HydrophobicContact CD1-CD1 4.32Å; L397-F429 HydrophobicContact CD1-CG 4.39Å; L397-M433 HydrophobicContact CB-SD 3.94Å; L397-M433 HydrophobicContact CD2-CE 4.48Å; L397-M433 HydrophobicContact CD2-CG 4.03Å; L397-M433 HydrophobicContact CD2-SD 3.94Å; L397-M433 HydrophobicContact CG-SD 4.35Å
398	E	93	Very high	92	Very high	124 Å²	124	30.1 Å²	30.1	58%	0.579	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	16.3	178	-63	176.1	-172.2	0	0	112.1	K337 V394 H395	K337-E398 IonicContact NZ-OE1 3.55Å; K337-E398 PolarHBondContact NZ-OE1 3.12Å; V394-E398 WeakPolarHBondContact O-CB 3.48Å; V394-E398 WeakPolarHBondContact O-CG 3.26Å; V394-E398 PolarHBondContact O-N 3.48Å; H395-E398 CarbonylContact O-C 3.36Å; H395-E398 PolarHBondContact O-N 3.09Å
399	D	96	Very high	93.4	Very high	16 Å²	16	29 Å²	29	9%	0.086	14%	0.139	C	C	.	.			trans	-71.6	146.3	-176.4	-159.8	-78.1	0	0	0	112.7	R313 H395 G396 L397 M401 V404 R405	R313-D399 VanDerWaalsContact CD-OD2 3.3Å; R313-D399 WeakPolarHBondContact CD-OD2 3.39Å; R313-D399 IonicContact CZ-OD1 3.62Å; R313-D399 IonicContact CZ-OD2 3.37Å; R313-D399 IonicContact NE-OD1 3.51Å; R313-D399 IonicContact NE-OD2 2.71Å; R313-D399 PolarHBondContact NE-OD2 3.17Å; R313-D399 IonicContact NH2-OD1 2.88Å; R313-D399 PolarHBondContact NH2-OD1 2.85Å; R313-D399 IonicContact NH2-OD2 3.4Å; R313-D399 PolarHBondContact NH2-OD2 3.43Å; H395-D399 PolarHBondContact O-N 3.14Å; H395-D399 VanDerWaalsContact O-N 3.15Å; G396-D399 WeakPolarHBondContact O-CB 3.27Å; L397-D399 VanDerWaalsContact C-N 3.3Å; D399-M401 VanDerWaalsContact C-N 3.27Å; D399-M401 PolarHBondContact O-N 3.43Å; D399-M401 PolarHBondContact OD1-N 2.85Å; D399-V404 HydrophobicContact CB-CB 3.86Å; D399-V404 HydrophobicContact CB-CG1 3.81Å; D399-R405 HydrophobicContact CB-CG 4.23Å; D399-R405 WeakPolarHBondContact O-CD 3.35Å; D399-R405 PolarHBondContact O-NE 2.74Å
400	E	94.6	Very high	94.4	Very high	149 Å²	149	32.2 Å²	32.2	70%	0.696	15%	0.153	S	C	*	.	S	Bend	trans	-62	-34.5	176.6	72.2	-165.8	161	0	0	112.4	R313	R313-E400 IonicContact CZ-OE1 3.85Å; R313-E400 IonicContact NH1-OE1 3.9Å; R313-E400 IonicContact NH2-OE1 2.92Å; R313-E400 PolarHBondContact NH2-OE1 2.82Å
401	M	95.8	Very high	95	Very high	57 Å²	57	31.2 Å²	31.2	28%	0.281	15%	0.147	S	C	.	.	S	Bend	trans	-93.3	122.8	-178	-62	-54.3	-61.3	0	0	110.7	W310 D399 E403 V404 R405	W310-M401 HydrophobicContact CB-CB 4.27Å; W310-M401 HydrophobicContact CB-CG 3.69Å; W310-M401 HydrophobicContact CG-CG 4.11Å; D399-M401 VanDerWaalsContact C-N 3.27Å; D399-M401 PolarHBondContact O-N 3.43Å; D399-M401 PolarHBondContact OD1-N 2.85Å; M401-E403 PolarHBondContact O-N 3.26Å; M401-V404 HydrophobicContact CB-CG2 4.04Å; M401-V404 WeakPolarHBondContact O-CB 3.32Å; M401-V404 PolarHBondContact O-N 3.33Å; M401-V404 VanDerWaalsContact O-N 3.08Å; M401-R405 PolarHBondContact O-N 3.16Å
402	F	96.3	Very high	95.4	Very high	59 Å²	59	31.2 Å²	31.2	26%	0.259	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-27.5	-177.6	78.1	-87.8	0	0	0	112.7	V404 R405 I406 I438 E440 V441	F402-V404 VanDerWaalsContact C-N 3.27Å; F402-V404 PolarHBondContact O-N 3Å; F402-R405 WeakPolarHBondContact O-CB 3.42Å; F402-R405 PolarHBondContact O-N 2.77Å; F402-I406 HydrophobicContact CD2-CD1 3.71Å; F402-I406 HydrophobicContact CE2-CD1 4.09Å; F402-I406 WeakPolarHBondContact O-CG1 3.4Å; F402-I406 PolarHBondContact O-N 3.04Å; F402-I438 HydrophobicContact CB-CB 4.47Å; F402-I438 HydrophobicContact CB-CG1 4.12Å; F402-I438 HydrophobicContact CB-CG2 4.23Å; F402-I438 HydrophobicContact CD2-CG2 4.42Å; F402-I438 HydrophobicContact CG-CG2 4.32Å; F402-E440 WeakPolarHBondContact CE2-OE2 3.14Å; F402-V441 HydrophobicContact CB-CG2 3.86Å
403	E	97.6	Very high	95.5	Very high	57 Å²	57	31.2 Å²	31.2	27%	0.266	15%	0.146	S	C	.	.	H	α-helix	trans	-64.2	-32.9	175.6	-61.2	90.8	152.9	0	0	112.2	W310 V314 M401 A407	W310-E403 HydrophobicContact CE3-CB 4.47Å; W310-E403 HydrophobicContact CZ3-CB 4.19Å; W310-E403 HydrophobicContact CZ3-CG 4.29Å; V314-E403 HydrophobicContact CG2-CB 3.92Å; M401-E403 PolarHBondContact O-N 3.26Å; E403-A407 WeakPolarHBondContact O-CB 3.41Å; E403-A407 PolarHBondContact O-N 3.14Å; E403-A407 VanDerWaalsContact O-N 3.11Å
404	V	97.1	Very high	95.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.1	-44.4	174.1	-177.2	0	0	0	0	109.5	W310 R313 V314 D399 M401 F402 I406 A407 A408	W310-V404 HydrophobicContact CB-CG2 4.37Å; R313-V404 HydrophobicContact CB-CG1 3.96Å; R313-V404 HydrophobicContact CB-CG2 3.79Å; V314-V404 HydrophobicContact CG2-CB 4.36Å; V314-V404 HydrophobicContact CG2-CG2 3.62Å; D399-V404 HydrophobicContact CB-CB 3.86Å; D399-V404 HydrophobicContact CB-CG1 3.81Å; M401-V404 HydrophobicContact CB-CG2 4.04Å; M401-V404 WeakPolarHBondContact O-CB 3.32Å; M401-V404 PolarHBondContact O-N 3.33Å; M401-V404 VanDerWaalsContact O-N 3.08Å; F402-V404 VanDerWaalsContact C-N 3.27Å; F402-V404 PolarHBondContact O-N 3Å; V404-I406 PolarHBondContact O-N 3.48Å; V404-A407 PolarHBondContact O-N 2.91Å; V404-A408 WeakPolarHBondContact O-CB 3.5Å; V404-A408 PolarHBondContact O-N 2.95Å
405	R	97.9	Very high	95.6	Very high	20 Å²	20	35 Å²	35	8%	0.075	16%	0.164	C	C	.	.	H	α-helix	trans	-56.5	-48.4	175.5	-64.4	-172	-98.9	-179.7	-10	111.7	G396 L397 D399 M401 F402 A407 A408 V409 M433 D436 E437 V441	G396-R405 WeakPolarHBondContact O-CA 3.39Å; L397-R405 WeakPolarHBondContact O-CD 3.31Å; L397-R405 WeakPolarHBondContact O-CG 3.24Å; D399-R405 HydrophobicContact CB-CG 4.23Å; D399-R405 WeakPolarHBondContact O-CD 3.35Å; D399-R405 PolarHBondContact O-NE 2.74Å; M401-R405 PolarHBondContact O-N 3.16Å; F402-R405 WeakPolarHBondContact O-CB 3.42Å; F402-R405 PolarHBondContact O-N 2.77Å; R405-A407 PolarHBondContact O-N 2.81Å; R405-A408 PolarHBondContact O-N 2.84Å; R405-V409 WeakPolarHBondContact O-CG2 3.48Å; R405-V409 PolarHBondContact O-N 2.96Å; R405-M433 HydrophobicContact CB-CE 4.36Å; R405-D436 IonicContact CZ-OD1 2.86Å; R405-D436 IonicContact CZ-OD2 2.64Å; R405-D436 IonicContact NE-OD2 2.71Å; R405-D436 IonicContact NH1-OD1 3.59Å; R405-D436 PolarHBondContact NH1-OD1 3Å; R405-D436 IonicContact NH1-OD2 3.6Å; R405-D436 PolarHBondContact NH1-OD2 3.5Å; R405-E437 IonicContact CZ-OE1 3.62Å; R405-E437 IonicContact NH1-OE1 3.78Å; R405-E437 IonicContact NH2-OE1 2.75Å; R405-E437 PolarHBondContact NH2-OE1 3.45Å; R405-E437 VanDerWaalsContact NH2-OE1 3.15Å; R405-V441 HydrophobicContact CB-CG1 4.3Å; R405-V441 HydrophobicContact CB-CG2 4.3Å
406	I	97.6	Very high	95.8	Very high	21 Å²	21	31.6 Å²	31.6	11%	0.108	15%	0.148	C	C	.	.	H	α-helix	trans	-58.7	-49.4	175.7	-71.9	173.8	0	0	0	110.9	F402 V404 A408 V409 E410 E440 V441 Q444	F402-I406 HydrophobicContact CD2-CD1 3.71Å; F402-I406 HydrophobicContact CE2-CD1 4.09Å; F402-I406 WeakPolarHBondContact O-CG1 3.4Å; F402-I406 PolarHBondContact O-N 3.04Å; V404-I406 PolarHBondContact O-N 3.48Å; I406-A408 VanDerWaalsContact C-N 3.29Å; I406-A408 PolarHBondContact O-N 3.04Å; I406-V409 PolarHBondContact O-N 3.16Å; I406-E410 HydrophobicContact CG2-CG 4.48Å; I406-E410 WeakPolarHBondContact O-CG 3.27Å; I406-E410 PolarHBondContact O-N 2.71Å; I406-E440 HydrophobicContact CD1-CB 4.31Å; I406-E440 HydrophobicContact CD1-CG 3.7Å; I406-V441 HydrophobicContact CG1-CG2 4.07Å; I406-Q444 HydrophobicContact CG2-CG 4.31Å
407	A	97.4	Very high	95.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-36.9	179.3	0	0	0	0	0	112.5	V314 A317 K318 E403 V404 R405 A411	V314-A407 HydrophobicContact CG1-CB 4.2Å; A317-A407 HydrophobicContact CB-CB 3.79Å; K318-A407 HydrophobicContact CG-CB 3.91Å; E403-A407 WeakPolarHBondContact O-CB 3.41Å; E403-A407 PolarHBondContact O-N 3.14Å; E403-A407 VanDerWaalsContact O-N 3.11Å; V404-A407 PolarHBondContact O-N 2.91Å; R405-A407 PolarHBondContact O-N 2.81Å; A407-A411 VanDerWaalsContact O-CB 3.22Å; A407-A411 WeakPolarHBondContact O-CB 3.4Å; A407-A411 PolarHBondContact O-N 2.84Å
408	A	97.5	Very high	95.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-68.3	-44.1	175.6	0	0	0	0	0	111.9	F393 L397 V404 R405 I406 A411 L412	F393-A408 HydrophobicContact CD1-CB 4.28Å; L397-A408 HydrophobicContact CD2-CB 4.05Å; L397-A408 HydrophobicContact CG-CB 4.43Å; V404-A408 WeakPolarHBondContact O-CB 3.5Å; V404-A408 PolarHBondContact O-N 2.95Å; R405-A408 PolarHBondContact O-N 2.84Å; I406-A408 VanDerWaalsContact C-N 3.29Å; I406-A408 PolarHBondContact O-N 3.04Å; A408-A411 PolarHBondContact O-N 2.85Å; A408-L412 WeakPolarHBondContact O-CB 3.49Å; A408-L412 WeakPolarHBondContact O-CG 3.41Å; A408-L412 PolarHBondContact O-N 2.96Å
409	V	97.3	Very high	95.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.2	-45.6	174.9	168.2	0	0	0	0	111.2	L397 R405 I406 L412 C413 L430 M433 Q444 V448	L397-V409 HydrophobicContact CD2-CB 4.49Å; L397-V409 HydrophobicContact CD2-CG2 3.43Å; L397-V409 VanDerWaalsContact CD2-CG2 3.43Å; R405-V409 WeakPolarHBondContact O-CG2 3.48Å; R405-V409 PolarHBondContact O-N 2.96Å; I406-V409 PolarHBondContact O-N 3.16Å; V409-L412 PolarHBondContact O-N 2.77Å; V409-C413 PolarHBondContact O-N 2.88Å; V409-L430 HydrophobicContact CG1-CD2 4.16Å; V409-M433 HydrophobicContact CG2-CG 4.04Å; V409-Q444 HydrophobicContact CG1-CG 4.27Å; V409-V448 HydrophobicContact CG1-CB 3.91Å; V409-V448 HydrophobicContact CG1-CG1 4.15Å; V409-V448 HydrophobicContact CG1-CG2 3.7Å
410	E	96.8	Very high	95.1	Very high	66 Å²	66	37.1 Å²	37.1	31%	0.308	18%	0.184	S	C	.	.	H	α-helix	trans	-62.6	-42.7	175.7	-74.8	-179.2	167.1	0	0	112.5	I406 C413 Q414 Q444	I406-E410 HydrophobicContact CG2-CG 4.48Å; I406-E410 WeakPolarHBondContact O-CG 3.27Å; I406-E410 PolarHBondContact O-N 2.71Å; E410-C413 VanDerWaalsContact O-CB 3.27Å; E410-C413 WeakPolarHBondContact O-CB 3.3Å; E410-C413 PolarHBondContact O-N 2.86Å; E410-Q414 WeakPolarHBondContact O-CG 3.33Å; E410-Q414 PolarHBondContact O-N 2.91Å; E410-Q414 VanDerWaalsContact O-N 3.1Å; E410-Q444 HydrophobicContact CG-CG 4.42Å; E410-Q444 VanDerWaalsContact CG-NE2 3.29Å; E410-Q444 PolarHBondContact OE1-NE2 3.48Å; E410-Q444 VanDerWaalsContact OE1-NE2 3.11Å
411	A	96	Very high	94.9	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-42.1	178.5	0	0	0	0	0	112.1	A317 F393 A407 A408 C413 Q414 L415	A317-A411 WeakPolarHBondContact O-CB 3.35Å; F393-A411 HydrophobicContact CE1-CB 3.6Å; F393-A411 HydrophobicContact CZ-CB 3.89Å; A407-A411 VanDerWaalsContact O-CB 3.22Å; A407-A411 WeakPolarHBondContact O-CB 3.4Å; A407-A411 PolarHBondContact O-N 2.84Å; A408-A411 PolarHBondContact O-N 2.85Å; A411-C413 VanDerWaalsContact C-N 3.3Å; A411-C413 PolarHBondContact O-N 2.81Å; A411-Q414 PolarHBondContact O-N 2.8Å; A411-L415 WeakPolarHBondContact O-CG 3.37Å; A411-L415 PolarHBondContact O-N 3.16Å; A411-L415 VanDerWaalsContact O-N 3.14Å
412	L	95.1	Very high	94.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.5	-42	172.1	-77.7	172.9	0	0	0	111.6	L335 F393 L397 A408 V409 L415 A416 F422 C426 L430	L335-L412 HydrophobicContact CD2-CD2 3.96Å; F393-L412 HydrophobicContact CB-CD1 4.38Å; F393-L412 HydrophobicContact CB-CD2 4.04Å; F393-L412 HydrophobicContact CB-CG 4.35Å; F393-L412 HydrophobicContact CD1-CD2 4.16Å; F393-L412 HydrophobicContact CD1-CG 3.95Å; F393-L412 HydrophobicContact CD2-CD2 3.39Å; F393-L412 HydrophobicContact CD2-CG 4.1Å; F393-L412 HydrophobicContact CE1-CG 4.31Å; F393-L412 HydrophobicContact CE2-CD2 3.85Å; F393-L412 HydrophobicContact CE2-CG 4.45Å; F393-L412 HydrophobicContact CG-CD1 4.42Å; F393-L412 HydrophobicContact CG-CD2 3.61Å; F393-L412 HydrophobicContact CG-CG 3.89Å; F393-L412 HydrophobicContact CZ-CD2 4.41Å; L397-L412 HydrophobicContact CD1-CD1 3.72Å; L397-L412 HydrophobicContact CD2-CD1 4.1Å; L397-L412 HydrophobicContact CG-CD1 4.15Å; A408-L412 WeakPolarHBondContact O-CB 3.49Å; A408-L412 WeakPolarHBondContact O-CG 3.41Å; A408-L412 PolarHBondContact O-N 2.96Å; V409-L412 PolarHBondContact O-N 2.77Å; L412-L415 PolarHBondContact O-N 2.94Å; L412-A416 WeakPolarHBondContact O-CB 3.31Å; L412-A416 PolarHBondContact O-N 2.92Å; L412-F422 HydrophobicContact CD2-CE1 3.77Å; L412-F422 HydrophobicContact CD2-CZ 3.66Å; L412-C426 HydrophobicContact CD2-CB 4.14Å; L412-L430 HydrophobicContact CB-CD2 4.46Å; L412-L430 HydrophobicContact CD1-CD2 4.31Å
413	C	94.6	Very high	94.5	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.145	C	C	.	.	H	α-helix	trans	-56.8	-51.8	175.6	-170.8	0	0	0	0	111.9	V409 E410 A411 L415 A416 R417 V448 E451	V409-C413 PolarHBondContact O-N 2.88Å; E410-C413 VanDerWaalsContact O-CB 3.27Å; E410-C413 WeakPolarHBondContact O-CB 3.3Å; E410-C413 PolarHBondContact O-N 2.86Å; A411-C413 VanDerWaalsContact C-N 3.3Å; A411-C413 PolarHBondContact O-N 2.81Å; C413-L415 VanDerWaalsContact C-N 3.31Å; C413-L415 PolarHBondContact O-N 3.25Å; C413-A416 PolarHBondContact O-N 2.79Å; C413-R417 WeakPolarHBondContact O-CB 3.38Å; C413-R417 WeakPolarHBondContact O-CD 3.37Å; C413-R417 VanDerWaalsContact O-CG 3.23Å; C413-R417 WeakPolarHBondContact O-CG 3.44Å; C413-R417 PolarHBondContact O-N 3.05Å; C413-V448 HydrophobicContact CB-CB 4.04Å; C413-V448 HydrophobicContact CB-CG1 3.42Å; C413-V448 VanDerWaalsContact CB-CG1 3.42Å; C413-V448 HydrophobicContact CB-CG2 3.63Å; C413-E451 PolarHBondContact SG-OE1 2.85Å
414	Q	94.1	Very high	94.1	Very high	81 Å²	81	31.1 Å²	31.1	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-60.1	-41.6	-176.8	-68.8	176.2	13.6	0	0	111.8	G321 E410 A411	G321-Q414 VanDerWaalsContact O-CB 3.23Å; G321-Q414 WeakPolarHBondContact O-CB 3.36Å; G321-Q414 PolarHBondContact O-OE1 3.1Å; E410-Q414 WeakPolarHBondContact O-CG 3.33Å; E410-Q414 PolarHBondContact O-N 2.91Å; E410-Q414 VanDerWaalsContact O-N 3.1Å; A411-Q414 PolarHBondContact O-N 2.8Å
415	L	93.9	Very high	93.7	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-74.6	-37.1	178.7	-64.1	163.5	0	0	0	112.4	L324 L331 F393 A411 L412 C413 R417 S418 S419 F422	L324-L415 HydrophobicContact CD2-CD2 4.18Å; L331-L415 HydrophobicContact CD1-CB 4.1Å; L331-L415 HydrophobicContact CD1-CD1 3.73Å; L331-L415 HydrophobicContact CD1-CD2 4.18Å; L331-L415 HydrophobicContact CD1-CG 4.22Å; F393-L415 HydrophobicContact CE2-CD1 3.56Å; F393-L415 HydrophobicContact CZ-CD1 3.54Å; A411-L415 WeakPolarHBondContact O-CG 3.37Å; A411-L415 PolarHBondContact O-N 3.16Å; A411-L415 VanDerWaalsContact O-N 3.14Å; L412-L415 PolarHBondContact O-N 2.94Å; C413-L415 VanDerWaalsContact C-N 3.31Å; C413-L415 PolarHBondContact O-N 3.25Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 3.46Å; L415-S418 PolarHBondContact O-N 3.07Å; L415-S418 PolarHBondContact O-OG 3.36Å; L415-S419 PolarHBondContact O-N 2.67Å; L415-S419 VanDerWaalsContact O-N 3.13Å; L415-F422 HydrophobicContact CB-CD1 4.08Å; L415-F422 HydrophobicContact CB-CE1 3.87Å
416	A	93.9	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-67.7	-32.9	177.1	0	0	0	0	0	112.6	L412 C413 S418 S419 F422 A423 I452	L412-A416 WeakPolarHBondContact O-CB 3.31Å; L412-A416 PolarHBondContact O-N 2.92Å; C413-A416 PolarHBondContact O-N 2.79Å; A416-S418 VanDerWaalsContact C-N 3.32Å; A416-S418 PolarHBondContact O-N 3.43Å; A416-S419 CarbonylContact O-C 3.28Å; A416-S419 PolarHBondContact O-N 3.31Å; A416-F422 HydrophobicContact CB-CD1 4.33Å; A416-A423 HydrophobicContact CB-CB 3.82Å; A416-I452 HydrophobicContact CB-CD1 4.29Å; A416-I452 HydrophobicContact CB-CG2 3.88Å
417	R	92.7	Very high	93.1	Very high	112 Å²	112	34 Å²	34	42%	0.423	18%	0.175	S	C	.	.	H	α-helix	trans	-63.5	-35.6	174.4	-77.4	166.7	147.6	167.2	-17.1	113.6	C413 L415 E451 I452	C413-R417 WeakPolarHBondContact O-CB 3.38Å; C413-R417 WeakPolarHBondContact O-CD 3.37Å; C413-R417 VanDerWaalsContact O-CG 3.23Å; C413-R417 WeakPolarHBondContact O-CG 3.44Å; C413-R417 PolarHBondContact O-N 3.05Å; L415-R417 VanDerWaalsContact C-N 3.33Å; L415-R417 PolarHBondContact O-N 3.46Å; R417-E451 IonicContact CZ-OE1 2.79Å; R417-E451 IonicContact CZ-OE2 3.74Å; R417-E451 VanDerWaalsContact NH1-CD 3.34Å; R417-E451 IonicContact NH1-OE1 2.95Å; R417-E451 IonicContact NH1-OE2 3.01Å; R417-E451 PolarHBondContact NH1-OE2 3.44Å; R417-E451 IonicContact NH2-OE2 3.72Å; R417-E451 PolarHBondContact NH2-OE2 3.29Å; R417-I452 HydrophobicContact CG-CG2 3.93Å
418	S	90.3	Very high	92.7	Very high	64 Å²	64	35.3 Å²	35.3	45%	0.448	18%	0.182	S	C	.	.	H	α-helix	trans	-84.3	-24.5	179	64.3	0	0	0	0	112.5	L415 A416	L415-S418 PolarHBondContact O-N 3.07Å; L415-S418 PolarHBondContact O-OG 3.36Å; A416-S418 VanDerWaalsContact C-N 3.32Å; A416-S418 PolarHBondContact O-N 3.43Å
419	S	90.6	Very high	92.5	Very high	21 Å²	21	36.4 Å²	36.4	15%	0.147	19%	0.187	C	C	.	.			trans	-128.9	99.1	-175.6	-178.5	0	0	0	0	112.5	L415 A416 S421 F422 A423	L415-S419 PolarHBondContact O-N 2.67Å; L415-S419 VanDerWaalsContact O-N 3.13Å; A416-S419 CarbonylContact O-C 3.28Å; A416-S419 PolarHBondContact O-N 3.31Å; S419-S421 VanDerWaalsContact C-N 3.3Å; S419-S421 PolarHBondContact O-N 3.22Å; S419-S421 PolarHBondContact OG-OG 3.2Å; S419-F422 WeakPolarHBondContact O-CB 3.32Å; S419-F422 PolarHBondContact O-N 3.05Å; S419-F422 WeakPolarHBondContact OG-CB 3.5Å; S419-F422 PolarHBondContact OG-N 3.16Å; S419-A423 PolarHBondContact O-N 2.95Å
420	P	90.2	Very high	92.3	Very high	67 Å²	67	36.4 Å²	36.4	44%	0.435	19%	0.187	S	C	.	.	H	α-helix	trans	-58.8	-37	179	-26.4	35	0	0	0	114	F422 A423 E424 H455	P420-F422 VanDerWaalsContact C-N 3.27Å; P420-F422 PolarHBondContact O-N 2.9Å; P420-A423 WeakPolarHBondContact O-CB 3.43Å; P420-A423 PolarHBondContact O-N 3.25Å; P420-E424 PolarHBondContact O-N 3.04Å; P420-H455 HydrophobicContact CB-CB 4.47Å
421	S	90.2	Very high	92.2	Very high	60 Å²	60	33.3 Å²	33.3	42%	0.42	17%	0.172	S	C	.	.	H	α-helix	trans	-67.3	-29.1	177.1	57	0	0	0	0	112.7	S419 K425	S419-S421 VanDerWaalsContact C-N 3.3Å; S419-S421 PolarHBondContact O-N 3.22Å; S419-S421 PolarHBondContact OG-OG 3.2Å; S421-K425 WeakPolarHBondContact O-CG 3.48Å
422	F	91.6	Very high	92	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-76.5	-37.4	172.8	-174.9	-110.1	0	0	0	111.4	L331 L335 F393 L412 L415 A416 S419 P420 E424 K425 C426	L331-F422 HydrophobicContact CD1-CD1 4.25Å; L331-F422 HydrophobicContact CD1-CD2 4.16Å; L331-F422 HydrophobicContact CD1-CE1 3.88Å; L331-F422 HydrophobicContact CD1-CE2 3.76Å; L331-F422 HydrophobicContact CD1-CG 4.37Å; L331-F422 HydrophobicContact CD1-CZ 3.61Å; L331-F422 HydrophobicContact CD2-CB 3.93Å; L331-F422 HydrophobicContact CD2-CD1 3.98Å; L331-F422 HydrophobicContact CD2-CD2 3.86Å; L331-F422 HydrophobicContact CD2-CE1 4.46Å; L331-F422 HydrophobicContact CD2-CE2 4.32Å; L331-F422 HydrophobicContact CD2-CG 3.65Å; L331-F422 HydrophobicContact CG-CD1 4.19Å; L331-F422 HydrophobicContact CG-CD2 3.53Å; L331-F422 HydrophobicContact CG-CE1 4.25Å; L331-F422 HydrophobicContact CG-CE2 3.57Å; L331-F422 HydrophobicContact CG-CG 3.83Å; L331-F422 HydrophobicContact CG-CZ 3.94Å; L331-F422 WeakPolarHBondContact O-CE2 3.35Å; L335-F422 HydrophobicContact CD1-CD2 3.97Å; L335-F422 HydrophobicContact CD1-CE2 3.34Å; L335-F422 HydrophobicContact CD1-CZ 3.85Å; L335-F422 HydrophobicContact CD2-CZ 4.35Å; L335-F422 HydrophobicContact CG-CE2 3.73Å; L335-F422 HydrophobicContact CG-CZ 4.05Å; F393-F422 HydrophobicContact CD2-CZ 4.41Å; F393-F422 HydrophobicContact CE2-CZ 4.49Å; L412-F422 HydrophobicContact CD2-CE1 3.77Å; L412-F422 HydrophobicContact CD2-CZ 3.66Å; L415-F422 HydrophobicContact CB-CD1 4.08Å; L415-F422 HydrophobicContact CB-CE1 3.87Å; A416-F422 HydrophobicContact CB-CD1 4.33Å; S419-F422 WeakPolarHBondContact O-CB 3.32Å; S419-F422 PolarHBondContact O-N 3.05Å; S419-F422 WeakPolarHBondContact OG-CB 3.5Å; S419-F422 PolarHBondContact OG-N 3.16Å; P420-F422 VanDerWaalsContact C-N 3.27Å; P420-F422 PolarHBondContact O-N 2.9Å; F422-E424 VanDerWaalsContact C-N 3.28Å; F422-E424 PolarHBondContact O-N 2.97Å; F422-K425 PolarHBondContact O-N 3.05Å; F422-C426 HydrophobicContact CE1-CB 4.46Å; F422-C426 PolarHBondContact O-N 3.44Å
423	A	92.4	Very high	92	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-41.9	175	0	0	0	0	0	112.5	A416 S419 P420 K425 C426 L427 H455 I456	A416-A423 HydrophobicContact CB-CB 3.82Å; S419-A423 PolarHBondContact O-N 2.95Å; P420-A423 WeakPolarHBondContact O-CB 3.43Å; P420-A423 PolarHBondContact O-N 3.25Å; A423-K425 VanDerWaalsContact C-N 3.3Å; A423-K425 PolarHBondContact O-N 2.88Å; A423-C426 PolarHBondContact O-SG 3.24Å; A423-C426 VanDerWaalsContact O-SG 3.34Å; A423-L427 PolarHBondContact O-N 2.97Å; A423-H455 HydrophobicContact CB-CB 4.04Å; A423-I456 HydrophobicContact CB-CG2 4.21Å
424	E	89.7	Confident	92	Very high	135 Å²	135	37.4 Å²	37.4	63%	0.631	19%	0.194	S	C	*	.	H	α-helix	trans	-64.3	-33.8	175.1	-69.6	-176.1	175.4	0	0	113	P420 F422	P420-E424 PolarHBondContact O-N 3.04Å; F422-E424 VanDerWaalsContact C-N 3.28Å; F422-E424 PolarHBondContact O-N 2.97Å
425	K	88.6	Confident	91.9	Very high	94 Å²	94	38.6 Å²	38.6	41%	0.409	20%	0.203	S	C	.	.	H	α-helix	trans	-79.5	-33.7	-178.6	-70.6	175.9	178.6	175.9	0	112.9	E332 L335 S421 F422 A423 L427	E332-K425 HydrophobicContact CG-CD 4.01Å; E332-K425 IonicContact OE1-NZ 3.88Å; E332-K425 PolarHBondContact OE1-NZ 3.21Å; E332-K425 IonicContact OE2-NZ 3.07Å; E332-K425 PolarHBondContact OE2-NZ 3Å; L335-K425 HydrophobicContact CD1-CB 3.85Å; S421-K425 WeakPolarHBondContact O-CG 3.48Å; F422-K425 PolarHBondContact O-N 3.05Å; A423-K425 VanDerWaalsContact C-N 3.3Å; A423-K425 PolarHBondContact O-N 2.88Å; K425-L427 VanDerWaalsContact C-N 3.35Å
426	C	91.4	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-82.5	-12.7	178.2	70.3	0	0	0	0	113.4	L335 L412 F422 A423 D428 F429 L430	L335-C426 HydrophobicContact CD1-CB 4Å; L335-C426 HydrophobicContact CD2-CB 4.42Å; L412-C426 HydrophobicContact CD2-CB 4.14Å; F422-C426 HydrophobicContact CE1-CB 4.46Å; F422-C426 PolarHBondContact O-N 3.44Å; A423-C426 PolarHBondContact O-SG 3.24Å; A423-C426 VanDerWaalsContact O-SG 3.34Å; C426-D428 PolarHBondContact O-N 3.03Å; C426-F429 WeakPolarHBondContact O-CB 3.36Å; C426-F429 PolarHBondContact O-N 3.48Å; C426-F429 VanDerWaalsContact O-N 3.1Å; C426-L430 PolarHBondContact O-N 3.07Å
427	L	91.5	Very high	92	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.037	24%	0.24	C	C	.	.	H	α-helix	trans	-51.5	-49.7	-176.3	176.7	58	0	0	0	113.5	A423 K425 F429 L430 V431 L449 I456 L458 Q462	A423-L427 PolarHBondContact O-N 2.97Å; K425-L427 VanDerWaalsContact C-N 3.35Å; L427-F429 VanDerWaalsContact C-N 3.29Å; L427-F429 PolarHBondContact O-N 3.33Å; L427-L430 PolarHBondContact O-N 2.95Å; L427-V431 HydrophobicContact CD1-CG2 3.98Å; L427-V431 WeakPolarHBondContact O-CG2 3.34Å; L427-V431 PolarHBondContact O-N 3.26Å; L427-L449 HydrophobicContact CD1-CD1 3.58Å; L427-I456 HydrophobicContact CD1-CD1 3.62Å; L427-I456 HydrophobicContact CD2-CB 4.29Å; L427-I456 HydrophobicContact CD2-CG2 4.47Å; L427-L458 HydrophobicContact CD1-CD2 3.86Å; L427-L458 HydrophobicContact CD2-CD2 4.26Å; L427-Q462 VanDerWaalsContact CD2-NE2 3.33Å
428	D	89.2	Confident	92.1	Very high	29 Å²	29	44 Å²	44	16%	0.155	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-41.2	-178.5	-69.6	-26.1	0	0	0	110.9	H350 C426 V431 D432 R459 Q462	H350-D428 HydrophobicContact CB-CB 4.16Å; H350-D428 VanDerWaalsContact CB-CG 3.43Å; H350-D428 WeakPolarHBondContact CB-OD2 3.46Å; H350-D428 IonicContact CD2-OD1 3.6Å; H350-D428 IonicContact CG-OD1 3.52Å; C426-D428 PolarHBondContact O-N 3.03Å; D428-V431 PolarHBondContact O-N 3.31Å; D428-D432 PolarHBondContact O-N 3.41Å; D428-R459 IonicContact OD1-CZ 3.18Å; D428-R459 IonicContact OD1-NH1 2.74Å; D428-R459 IonicContact OD1-NH2 3.67Å; D428-R459 PolarHBondContact OD1-NH2 3.03Å; D428-Q462 PolarHBondContact OD1-NE2 2.61Å
429	F	91.8	Very high	92.3	Very high	24 Å²	24	45.9 Å²	45.9	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-65.3	-40.9	177.7	-62.1	-88.9	0	0	0	112.5	L335 K337 V394 L397 C426 L427 D432 M433	L335-F429 HydrophobicContact CB-CE2 3.93Å; L335-F429 HydrophobicContact CB-CZ 4.17Å; L335-F429 HydrophobicContact CD1-CE2 4.41Å; L335-F429 HydrophobicContact CD2-CD2 4.02Å; L335-F429 HydrophobicContact CD2-CE2 4.03Å; L335-F429 HydrophobicContact CD2-CG 4.49Å; L335-F429 HydrophobicContact CG-CE2 4.36Å; L335-F429 WeakPolarHBondContact O-CZ 3.32Å; K337-F429 VanDerWaalsContact CE-CE1 3.41Å; V394-F429 HydrophobicContact CG1-CE1 4.28Å; V394-F429 HydrophobicContact CG2-CE1 3.7Å; V394-F429 HydrophobicContact CG2-CZ 4.16Å; L397-F429 HydrophobicContact CD1-CB 3.7Å; L397-F429 HydrophobicContact CD1-CD1 4.32Å; L397-F429 HydrophobicContact CD1-CG 4.39Å; C426-F429 WeakPolarHBondContact O-CB 3.36Å; C426-F429 PolarHBondContact O-N 3.48Å; C426-F429 VanDerWaalsContact O-N 3.1Å; L427-F429 VanDerWaalsContact C-N 3.29Å; L427-F429 PolarHBondContact O-N 3.33Å; F429-D432 PolarHBondContact O-N 3.5Å; F429-M433 WeakPolarHBondContact O-CG 3.36Å; F429-M433 PolarHBondContact O-N 3.23Å
430	L	94.1	Very high	92.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-68.5	-36	177.9	-70.7	173.3	0	0	0	112.2	V409 L412 C426 L427 M433 F434 V448 L449 I452	V409-L430 HydrophobicContact CG1-CD2 4.16Å; L412-L430 HydrophobicContact CB-CD2 4.46Å; L412-L430 HydrophobicContact CD1-CD2 4.31Å; C426-L430 PolarHBondContact O-N 3.07Å; L427-L430 PolarHBondContact O-N 2.95Å; L430-M433 PolarHBondContact O-N 3.46Å; L430-F434 VanDerWaalsContact O-CD1 3.29Å; L430-F434 WeakPolarHBondContact O-CD1 3.28Å; L430-V448 HydrophobicContact CD1-CG1 4.02Å; L430-V448 HydrophobicContact CD2-CG1 3.89Å; L430-L449 HydrophobicContact CB-CD1 4.4Å; L430-L449 HydrophobicContact CD1-CD1 4.42Å; L430-I452 HydrophobicContact CD1-CD1 3.53Å
431	V	93.4	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.9	-37.4	174.6	172.1	0	0	0	0	110.8	L427 D428 M433 F434 L449 T465 V466	L427-V431 HydrophobicContact CD1-CG2 3.98Å; L427-V431 WeakPolarHBondContact O-CG2 3.34Å; L427-V431 PolarHBondContact O-N 3.26Å; D428-V431 PolarHBondContact O-N 3.31Å; V431-M433 PolarHBondContact O-N 3.24Å; V431-F434 VanDerWaalsContact O-CB 3.27Å; V431-F434 WeakPolarHBondContact O-CB 3.44Å; V431-F434 PolarHBondContact O-N 3.37Å; V431-L449 HydrophobicContact CG2-CD2 4.2Å; V431-T465 HydrophobicContact CG1-CG2 3.69Å; V431-V466 HydrophobicContact CG1-CG2 4.2Å; V431-V466 HydrophobicContact CG2-CG2 4.18Å
432	D	92.1	Very high	93.1	Very high	73 Å²	73	45.7 Å²	45.7	39%	0.39	22%	0.219	S	C	.	.	H	α-helix	trans	-58.8	-36.1	175	-75.6	-23.7	0	0	0	112	H350 D428 F429 F434 N435	H350-D432 IonicContact CD2-OD1 2.84Å; H350-D432 IonicContact NE2-OD1 3.74Å; H350-D432 PolarHBondContact NE2-OD1 3.09Å; D428-D432 PolarHBondContact O-N 3.41Å; F429-D432 PolarHBondContact O-N 3.5Å; D432-F434 PolarHBondContact O-N 2.95Å; D432-F434 VanDerWaalsContact O-N 3.11Å; D432-N435 PolarHBondContact O-N 3.33Å; D432-N435 VanDerWaalsContact O-N 3.13Å
433	M	95.4	Very high	93.2	Very high	14 Å²	14	47.6 Å²	47.6	7%	0.069	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-66.3	-9.9	177.6	-57.5	-49.3	-60.8	0	0	114.3	L397 R405 V409 F429 L430 V431 N435 D436 V441 S445	L397-M433 HydrophobicContact CB-SD 3.94Å; L397-M433 HydrophobicContact CD2-CE 4.48Å; L397-M433 HydrophobicContact CD2-CG 4.03Å; L397-M433 HydrophobicContact CD2-SD 3.94Å; L397-M433 HydrophobicContact CG-SD 4.35Å; R405-M433 HydrophobicContact CB-CE 4.36Å; V409-M433 HydrophobicContact CG2-CG 4.04Å; F429-M433 WeakPolarHBondContact O-CG 3.36Å; F429-M433 PolarHBondContact O-N 3.23Å; L430-M433 PolarHBondContact O-N 3.46Å; V431-M433 PolarHBondContact O-N 3.24Å; M433-N435 PolarHBondContact O-N 3.47Å; M433-D436 HydrophobicContact CE-CB 4.38Å; M433-D436 VanDerWaalsContact CE-OD2 3.22Å; M433-D436 WeakPolarHBondContact CE-OD2 3.44Å; M433-D436 VanDerWaalsContact O-CB 3.28Å; M433-D436 WeakPolarHBondContact O-CB 3.39Å; M433-D436 PolarHBondContact O-N 2.92Å; M433-V441 HydrophobicContact CE-CG1 3.44Å; M433-V441 VanDerWaalsContact CE-CG1 3.44Å; M433-S445 WeakPolarHBondContact CB-OG 3.24Å
434	F	94.5	Very high	93.4	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-71.3	-21	174.2	-79.3	42.2	0	0	0	111.8	L430 V431 D432 R442 I446 L449 V466 V469 L481 L484	L430-F434 VanDerWaalsContact O-CD1 3.29Å; L430-F434 WeakPolarHBondContact O-CD1 3.28Å; V431-F434 VanDerWaalsContact O-CB 3.27Å; V431-F434 WeakPolarHBondContact O-CB 3.44Å; V431-F434 PolarHBondContact O-N 3.37Å; D432-F434 PolarHBondContact O-N 2.95Å; D432-F434 VanDerWaalsContact O-N 3.11Å; F434-R442 WeakPolarHBondContact O-CD 3.33Å; F434-R442 WeakPolarHBondContact O-CG 3.38Å; F434-I446 HydrophobicContact CD1-CG1 4.49Å; F434-I446 HydrophobicContact CD2-CG1 4.04Å; F434-I446 HydrophobicContact CE1-CG1 4.05Å; F434-I446 HydrophobicContact CE2-CB 4.49Å; F434-I446 HydrophobicContact CE2-CG1 3.55Å; F434-I446 HydrophobicContact CG-CG1 4.49Å; F434-I446 HydrophobicContact CZ-CB 4.13Å; F434-I446 HydrophobicContact CZ-CG1 3.56Å; F434-L449 HydrophobicContact CE1-CB 4.31Å; F434-L449 HydrophobicContact CE1-CD2 3.95Å; F434-L449 HydrophobicContact CE2-CD2 4.45Å; F434-L449 HydrophobicContact CZ-CB 4.18Å; F434-L449 HydrophobicContact CZ-CD2 3.56Å; F434-V466 HydrophobicContact CD2-CB 4.41Å; F434-V466 HydrophobicContact CD2-CG2 4.12Å; F434-V466 HydrophobicContact CE2-CB 4.28Å; F434-V466 HydrophobicContact CE2-CG1 4.01Å; F434-V466 HydrophobicContact CE2-CG2 3.89Å; F434-V466 HydrophobicContact CZ-CG2 4.47Å; F434-V469 HydrophobicContact CB-CG2 3.84Å; F434-V469 HydrophobicContact CD2-CG2 3.85Å; F434-V469 HydrophobicContact CG-CG2 4.31Å; F434-L481 HydrophobicContact CE2-CD1 4.24Å; F434-L484 HydrophobicContact CE2-CD2 3.9Å; F434-L484 HydrophobicContact CZ-CD2 3.74Å
435	N	92.9	Very high	93.7	Very high	106 Å²	106	43.3 Å²	43.3	57%	0.567	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-97.3	14.5	176	-64	-48.3	0	0	0	112.6	D432 M433 T465	D432-N435 PolarHBondContact O-N 3.33Å; D432-N435 VanDerWaalsContact O-N 3.13Å; M433-N435 PolarHBondContact O-N 3.47Å; N435-T465 VanDerWaalsContact ND2-CG2 3.33Å; N435-T465 WeakPolarHBondContact ND2-CG2 3.39Å
436	D	95.6	Very high	94.1	Very high	18 Å²	18	38.9 Å²	38.9	10%	0.096	19%	0.19	C	C	.	.			trans	-63.1	144.1	178.6	-163.2	-73.7	0	0	0	111.3	R405 M433 I438 V441 R442	R405-D436 IonicContact CZ-OD1 2.86Å; R405-D436 IonicContact CZ-OD2 2.64Å; R405-D436 IonicContact NE-OD2 2.71Å; R405-D436 IonicContact NH1-OD1 3.59Å; R405-D436 PolarHBondContact NH1-OD1 3Å; R405-D436 IonicContact NH1-OD2 3.6Å; R405-D436 PolarHBondContact NH1-OD2 3.5Å; M433-D436 HydrophobicContact CE-CB 4.38Å; M433-D436 VanDerWaalsContact CE-OD2 3.22Å; M433-D436 WeakPolarHBondContact CE-OD2 3.44Å; M433-D436 VanDerWaalsContact O-CB 3.28Å; M433-D436 WeakPolarHBondContact O-CB 3.39Å; M433-D436 PolarHBondContact O-N 2.92Å; D436-I438 PolarHBondContact O-N 3.4Å; D436-I438 PolarHBondContact OD1-N 2.91Å; D436-V441 HydrophobicContact CB-CB 4.09Å; D436-V441 HydrophobicContact CB-CG1 3.87Å; D436-R442 HydrophobicContact CB-CG 4.04Å; D436-R442 VanDerWaalsContact O-CD 3.24Å; D436-R442 WeakPolarHBondContact O-CD 3.45Å; D436-R442 VanDerWaalsContact O-CG 3.28Å; D436-R442 WeakPolarHBondContact O-CG 3.3Å; D436-R442 PolarHBondContact O-NH1 3.09Å
437	E	93.8	Very high	94.3	Very high	150 Å²	150	42 Å²	42	70%	0.701	20%	0.204	S	C	*	.	S	Bend	trans	-66.4	-25.3	179.9	67.1	-160.8	176.9	0	0	112.9	R405 R442	R405-E437 IonicContact CZ-OE1 3.62Å; R405-E437 IonicContact NH1-OE1 3.78Å; R405-E437 IonicContact NH2-OE1 2.75Å; R405-E437 PolarHBondContact NH2-OE1 3.45Å; R405-E437 VanDerWaalsContact NH2-OE1 3.15Å; E437-R442 PolarHBondContact O-NH1 3.47Å
438	I	95.3	Very high	94.4	Very high	58 Å²	58	41.7 Å²	41.7	30%	0.297	20%	0.203	S	C	.	.	S	Bend	trans	-95.3	124.5	-178	-55.4	-56.7	0	0	0	111	F402 D436 E440 V441 R442	F402-I438 HydrophobicContact CB-CB 4.47Å; F402-I438 HydrophobicContact CB-CG1 4.12Å; F402-I438 HydrophobicContact CB-CG2 4.23Å; F402-I438 HydrophobicContact CD2-CG2 4.42Å; F402-I438 HydrophobicContact CG-CG2 4.32Å; D436-I438 PolarHBondContact O-N 3.4Å; D436-I438 PolarHBondContact OD1-N 2.91Å; I438-E440 VanDerWaalsContact C-N 3.29Å; I438-E440 HydrophobicContact CG2-CB 4.18Å; I438-E440 PolarHBondContact O-N 3.04Å; I438-V441 HydrophobicContact CB-CB 4.32Å; I438-V441 HydrophobicContact CB-CG2 3.87Å; I438-V441 HydrophobicContact CG2-CG2 4.05Å; I438-V441 PolarHBondContact O-N 3.07Å; I438-R442 PolarHBondContact O-N 3.19Å; I438-R442 VanDerWaalsContact O-N 3.15Å
439	E	94.1	Very high	94.7	Very high	104 Å²	104	40.3 Å²	40.3	49%	0.486	20%	0.196	S	C	.	.	H	α-helix	trans	-57	-40.1	-178.5	-54.6	-163.1	157.4	0	0	112.9	V441 R442 L443 I477	E439-V441 PolarHBondContact O-N 3.4Å; E439-R442 PolarHBondContact O-N 3.35Å; E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 3.16Å; E439-I477 HydrophobicContact CB-CD1 4.1Å
440	E	95	Very high	94.8	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-38.4	-179.2	-165.3	175.2	173.1	0	0	112.1	F402 I406 I438 L443 Q444	F402-E440 WeakPolarHBondContact CE2-OE2 3.14Å; I406-E440 HydrophobicContact CD1-CB 4.31Å; I406-E440 HydrophobicContact CD1-CG 3.7Å; I438-E440 VanDerWaalsContact C-N 3.29Å; I438-E440 HydrophobicContact CG2-CB 4.18Å; I438-E440 PolarHBondContact O-N 3.04Å; E440-L443 PolarHBondContact O-N 3.38Å; E440-Q444 WeakPolarHBondContact O-CB 3.34Å; E440-Q444 PolarHBondContact O-N 3.39Å
441	V	96.3	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68	-43.9	176.9	-178.5	0	0	0	0	110.3	F402 R405 I406 M433 D436 I438 E439 Q444 S445	F402-V441 HydrophobicContact CB-CG2 3.86Å; R405-V441 HydrophobicContact CB-CG1 4.3Å; R405-V441 HydrophobicContact CB-CG2 4.3Å; I406-V441 HydrophobicContact CG1-CG2 4.07Å; M433-V441 HydrophobicContact CE-CG1 3.44Å; M433-V441 VanDerWaalsContact CE-CG1 3.44Å; D436-V441 HydrophobicContact CB-CB 4.09Å; D436-V441 HydrophobicContact CB-CG1 3.87Å; I438-V441 HydrophobicContact CB-CB 4.32Å; I438-V441 HydrophobicContact CB-CG2 3.87Å; I438-V441 HydrophobicContact CG2-CG2 4.05Å; I438-V441 PolarHBondContact O-N 3.07Å; E439-V441 PolarHBondContact O-N 3.4Å; V441-Q444 PolarHBondContact O-N 2.84Å; V441-S445 WeakPolarHBondContact O-CB 3.22Å; V441-S445 PolarHBondContact O-N 2.89Å; V441-S445 PolarHBondContact O-OG 2.92Å
442	R	95.8	Very high	94.7	Very high	30 Å²	30	46.3 Å²	46.3	11%	0.113	22%	0.221	C	C	.	.	H	α-helix	trans	-58.5	-50	175.2	-65.5	-160.3	-62.6	-77.1	4.8	111.3	F434 D436 E437 I438 E439 Q444 S445 I446 D472 I477	F434-R442 WeakPolarHBondContact O-CD 3.33Å; F434-R442 WeakPolarHBondContact O-CG 3.38Å; D436-R442 HydrophobicContact CB-CG 4.04Å; D436-R442 VanDerWaalsContact O-CD 3.24Å; D436-R442 WeakPolarHBondContact O-CD 3.45Å; D436-R442 VanDerWaalsContact O-CG 3.28Å; D436-R442 WeakPolarHBondContact O-CG 3.3Å; D436-R442 PolarHBondContact O-NH1 3.09Å; E437-R442 PolarHBondContact O-NH1 3.47Å; I438-R442 PolarHBondContact O-N 3.19Å; I438-R442 VanDerWaalsContact O-N 3.15Å; E439-R442 PolarHBondContact O-N 3.35Å; R442-Q444 PolarHBondContact O-N 3.24Å; R442-S445 PolarHBondContact O-N 2.89Å; R442-I446 WeakPolarHBondContact O-CG1 3.24Å; R442-I446 PolarHBondContact O-N 2.82Å; R442-I446 VanDerWaalsContact O-N 3.08Å; R442-D472 IonicContact CZ-OD2 2.69Å; R442-D472 VanDerWaalsContact CZ-OD2 3.31Å; R442-D472 IonicContact NE-OD2 2.92Å; R442-D472 PolarHBondContact NE-OD2 3.42Å; R442-D472 IonicContact NH2-OD1 2.71Å; R442-D472 IonicContact NH2-OD2 2.72Å; R442-D472 PolarHBondContact NH2-OD2 3.3Å; R442-I477 HydrophobicContact CB-CD1 4.33Å
443	L	95.1	Very high	94.7	Very high	42 Å²	42	43.1 Å²	43.1	22%	0.22	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-46.6	-180	-177.8	62	0	0	0	111.7	E439 E440 S445 I446 H447 I477 A480	E439-L443 WeakPolarHBondContact O-CB 3.47Å; E439-L443 PolarHBondContact O-N 3.16Å; E440-L443 PolarHBondContact O-N 3.38Å; L443-S445 VanDerWaalsContact C-N 3.31Å; L443-S445 PolarHBondContact O-N 3.2Å; L443-I446 PolarHBondContact O-N 3.11Å; L443-H447 PolarHBondContact O-CD2 3.45Å; L443-H447 PolarHBondContact O-N 3.15Å; L443-H447 VanDerWaalsContact O-N 3.07Å; L443-I477 HydrophobicContact CB-CG1 4.18Å; L443-I477 HydrophobicContact CD1-CG1 4.28Å; L443-A480 HydrophobicContact CD1-CB 3.64Å
444	Q	96.4	Very high	94.3	Very high	45 Å²	45	47.1 Å²	47.1	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-38.1	179.1	-171.9	64.1	4.5	0	0	112.2	I406 V409 E410 E440 V441 R442 I446 H447 V448	I406-Q444 HydrophobicContact CG2-CG 4.31Å; V409-Q444 HydrophobicContact CG1-CG 4.27Å; E410-Q444 HydrophobicContact CG-CG 4.42Å; E410-Q444 VanDerWaalsContact CG-NE2 3.29Å; E410-Q444 PolarHBondContact OE1-NE2 3.48Å; E410-Q444 VanDerWaalsContact OE1-NE2 3.11Å; E440-Q444 WeakPolarHBondContact O-CB 3.34Å; E440-Q444 PolarHBondContact O-N 3.39Å; V441-Q444 PolarHBondContact O-N 2.84Å; R442-Q444 PolarHBondContact O-N 3.24Å; Q444-I446 VanDerWaalsContact C-N 3.34Å; Q444-I446 PolarHBondContact O-N 3.18Å; Q444-H447 PolarHBondContact O-N 2.95Å; Q444-V448 WeakPolarHBondContact O-CB 3.29Å; Q444-V448 PolarHBondContact O-N 3.16Å
445	S	96.4	Very high	94	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-63.7	-39.2	177.3	-56.9	0	0	0	0	112	M433 V441 R442 L443 V448 L449	M433-S445 WeakPolarHBondContact CB-OG 3.24Å; V441-S445 WeakPolarHBondContact O-CB 3.22Å; V441-S445 PolarHBondContact O-N 2.89Å; V441-S445 PolarHBondContact O-OG 2.92Å; R442-S445 PolarHBondContact O-N 2.89Å; L443-S445 VanDerWaalsContact C-N 3.31Å; L443-S445 PolarHBondContact O-N 3.2Å; S445-V448 PolarHBondContact O-N 3.5Å; S445-L449 WeakPolarHBondContact O-CB 3.3Å; S445-L449 PolarHBondContact O-N 3.44Å
446	I	96.3	Very high	93.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.7	-44.4	173.9	-63.9	161.8	0	0	0	111	F434 R442 L443 Q444 L449 R450 V469 I477 A480 L484	F434-I446 HydrophobicContact CD1-CG1 4.49Å; F434-I446 HydrophobicContact CD2-CG1 4.04Å; F434-I446 HydrophobicContact CE1-CG1 4.05Å; F434-I446 HydrophobicContact CE2-CB 4.49Å; F434-I446 HydrophobicContact CE2-CG1 3.55Å; F434-I446 HydrophobicContact CG-CG1 4.49Å; F434-I446 HydrophobicContact CZ-CB 4.13Å; F434-I446 HydrophobicContact CZ-CG1 3.56Å; R442-I446 WeakPolarHBondContact O-CG1 3.24Å; R442-I446 PolarHBondContact O-N 2.82Å; R442-I446 VanDerWaalsContact O-N 3.08Å; L443-I446 PolarHBondContact O-N 3.11Å; Q444-I446 VanDerWaalsContact C-N 3.34Å; Q444-I446 PolarHBondContact O-N 3.18Å; I446-L449 PolarHBondContact O-N 3.37Å; I446-R450 WeakPolarHBondContact O-CB 3.45Å; I446-R450 PolarHBondContact O-N 2.97Å; I446-V469 HydrophobicContact CD1-CG1 4.01Å; I446-I477 HydrophobicContact CD1-CG2 3.73Å; I446-A480 HydrophobicContact CG2-CB 3.82Å; I446-A480 WeakPolarHBondContact CG2-O 3.39Å; I446-L484 HydrophobicContact CG2-CB 4.06Å; I446-L484 HydrophobicContact CG2-CD2 4.11Å
447	H	95.1	Very high	93.7	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.301	24%	0.236	S	C	.	.	H	α-helix	trans	-62.6	-45.6	177.5	-71.4	-37.4	0	0	0	112.2	L443 Q444 R450 E451	L443-H447 PolarHBondContact O-CD2 3.45Å; L443-H447 PolarHBondContact O-N 3.15Å; L443-H447 VanDerWaalsContact O-N 3.07Å; Q444-H447 PolarHBondContact O-N 2.95Å; H447-R450 WeakPolarHBondContact O-CB 3.4Å; H447-R450 PolarHBondContact O-N 3.3Å; H447-E451 WeakPolarHBondContact O-CG 3.48Å; H447-E451 PolarHBondContact O-N 3.35Å; H447-E451 VanDerWaalsContact O-N 3.12Å
448	V	94.3	Very high	93.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-62.8	-45	176.7	158.3	0	0	0	0	111.8	V409 C413 L430 Q444 S445 R450 E451 I452	V409-V448 HydrophobicContact CG1-CB 3.91Å; V409-V448 HydrophobicContact CG1-CG1 4.15Å; V409-V448 HydrophobicContact CG1-CG2 3.7Å; C413-V448 HydrophobicContact CB-CB 4.04Å; C413-V448 HydrophobicContact CB-CG1 3.42Å; C413-V448 VanDerWaalsContact CB-CG1 3.42Å; C413-V448 HydrophobicContact CB-CG2 3.63Å; L430-V448 HydrophobicContact CD1-CG1 4.02Å; L430-V448 HydrophobicContact CD2-CG1 3.89Å; Q444-V448 WeakPolarHBondContact O-CB 3.29Å; Q444-V448 PolarHBondContact O-N 3.16Å; S445-V448 PolarHBondContact O-N 3.5Å; V448-R450 PolarHBondContact O-N 3.24Å; V448-E451 WeakPolarHBondContact O-CB 3.18Å; V448-E451 PolarHBondContact O-N 2.89Å; V448-I452 PolarHBondContact O-N 3.12Å
449	L	94.9	Very high	93.2	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-35.7	179.8	-167.8	63.2	0	0	0	111.6	L427 L430 V431 F434 S445 I446 E451 I452 S453 I456 V466 L484	L427-L449 HydrophobicContact CD1-CD1 3.58Å; L430-L449 HydrophobicContact CB-CD1 4.4Å; L430-L449 HydrophobicContact CD1-CD1 4.42Å; V431-L449 HydrophobicContact CG2-CD2 4.2Å; F434-L449 HydrophobicContact CE1-CB 4.31Å; F434-L449 HydrophobicContact CE1-CD2 3.95Å; F434-L449 HydrophobicContact CE2-CD2 4.45Å; F434-L449 HydrophobicContact CZ-CB 4.18Å; F434-L449 HydrophobicContact CZ-CD2 3.56Å; S445-L449 WeakPolarHBondContact O-CB 3.3Å; S445-L449 PolarHBondContact O-N 3.44Å; I446-L449 PolarHBondContact O-N 3.37Å; L449-E451 VanDerWaalsContact C-N 3.35Å; L449-I452 HydrophobicContact CD1-CD1 4.14Å; L449-I452 HydrophobicContact CD1-CG1 4.24Å; L449-I452 WeakPolarHBondContact O-CG1 3.36Å; L449-I452 PolarHBondContact O-N 3.28Å; L449-S453 PolarHBondContact O-N 2.82Å; L449-I456 HydrophobicContact CD1-CD1 3.39Å; L449-I456 HydrophobicContact CG-CD1 4.07Å; L449-V466 HydrophobicContact CD2-CG2 4.44Å; L449-L484 HydrophobicContact CB-CD1 4.27Å; L449-L484 HydrophobicContact CB-CD2 4.43Å; L449-L484 HydrophobicContact CD2-CD1 4.49Å; L449-L484 HydrophobicContact CD2-CD2 3.98Å; L449-L484 HydrophobicContact CG-CD1 4.19Å; L449-L484 HydrophobicContact CG-CD2 4.44Å
450	R	93.9	Very high	92.8	Very high	70 Å²	70	39.3 Å²	39.3	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-62.6	-43.3	174.1	176.2	-164.8	165.4	-179.9	9	111.1	I446 H447 V448 I452 S453 E483 L484 Y487	I446-R450 WeakPolarHBondContact O-CB 3.45Å; I446-R450 PolarHBondContact O-N 2.97Å; H447-R450 WeakPolarHBondContact O-CB 3.4Å; H447-R450 PolarHBondContact O-N 3.3Å; V448-R450 PolarHBondContact O-N 3.24Å; R450-I452 PolarHBondContact O-N 2.82Å; R450-S453 VanDerWaalsContact O-CB 3.31Å; R450-S453 WeakPolarHBondContact O-CB 3.04Å; R450-S453 PolarHBondContact O-N 2.85Å; R450-S453 PolarHBondContact O-OG 2.81Å; R450-E483 IonicContact CZ-OE1 3.83Å; R450-E483 IonicContact CZ-OE2 3.4Å; R450-E483 IonicContact NH1-OE1 2.94Å; R450-E483 PolarHBondContact NH1-OE1 2.98Å; R450-E483 VanDerWaalsContact NH1-OE1 3.16Å; R450-E483 IonicContact NH1-OE2 3.45Å; R450-E483 PolarHBondContact NH1-OE2 2.81Å; R450-E483 VanDerWaalsContact NH2-CD 3.27Å; R450-E483 IonicContact NH2-OE1 3.62Å; R450-E483 PolarHBondContact NH2-OE1 2.99Å; R450-E483 IonicContact NH2-OE2 3.02Å; R450-L484 HydrophobicContact CB-CB 4.38Å; R450-L484 HydrophobicContact CB-CD1 3.87Å; R450-Y487 HydrophobicContact CG-CD2 4.03Å
451	E	92.4	Very high	92.3	Very high	80 Å²	80	35.6 Å²	35.6	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-62.4	-28.2	-179.1	-74.9	179.1	-60.8	0	0	113.4	C413 R417 H447 V448 L449	C413-E451 PolarHBondContact SG-OE1 2.85Å; R417-E451 IonicContact CZ-OE1 2.79Å; R417-E451 IonicContact CZ-OE2 3.74Å; R417-E451 VanDerWaalsContact NH1-CD 3.34Å; R417-E451 IonicContact NH1-OE1 2.95Å; R417-E451 IonicContact NH1-OE2 3.01Å; R417-E451 PolarHBondContact NH1-OE2 3.44Å; R417-E451 IonicContact NH2-OE2 3.72Å; R417-E451 PolarHBondContact NH2-OE2 3.29Å; H447-E451 WeakPolarHBondContact O-CG 3.48Å; H447-E451 PolarHBondContact O-N 3.35Å; H447-E451 VanDerWaalsContact O-N 3.12Å; V448-E451 WeakPolarHBondContact O-CB 3.18Å; V448-E451 PolarHBondContact O-N 2.89Å; L449-E451 VanDerWaalsContact C-N 3.35Å
452	I	93.3	Very high	92	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-103.2	0.1	177.8	65.7	170.6	0	0	0	114.1	A416 R417 L430 V448 L449 R450 T454 H455 I456	A416-I452 HydrophobicContact CB-CD1 4.29Å; A416-I452 HydrophobicContact CB-CG2 3.88Å; R417-I452 HydrophobicContact CG-CG2 3.93Å; L430-I452 HydrophobicContact CD1-CD1 3.53Å; V448-I452 PolarHBondContact O-N 3.12Å; L449-I452 HydrophobicContact CD1-CD1 4.14Å; L449-I452 HydrophobicContact CD1-CG1 4.24Å; L449-I452 WeakPolarHBondContact O-CG1 3.36Å; L449-I452 PolarHBondContact O-N 3.28Å; R450-I452 PolarHBondContact O-N 2.82Å; I452-T454 PolarHBondContact O-N 2.84Å; I452-H455 PolarHBondContact O-N 2.74Å; I452-I456 HydrophobicContact CG1-CD1 4.3Å
453	S	91.3	Very high	91.9	Very high	5 Å²	5	34.2 Å²	34.2	4%	0.035	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-52.4	-26.5	-173.8	59.5	0	0	0	0	115.1	L449 R450 H455 Y487 N489	L449-S453 PolarHBondContact O-N 2.82Å; R450-S453 VanDerWaalsContact O-CB 3.31Å; R450-S453 WeakPolarHBondContact O-CB 3.04Å; R450-S453 PolarHBondContact O-N 2.85Å; R450-S453 PolarHBondContact O-OG 2.81Å; S453-H455 VanDerWaalsContact C-N 3.28Å; S453-H455 PolarHBondContact O-N 3.42Å; S453-Y487 WeakPolarHBondContact OG-CB 3.36Å; S453-N489 PolarHBondContact O-ND2 2.93Å
454	T	87.1	Confident	91.6	Very high	98 Å²	98	35.9 Å²	35.9	60%	0.601	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-70.7	-20.8	177	51.5	0	0	0	0	114.1	I452	I452-T454 PolarHBondContact O-N 2.84Å
455	H	88.1	Confident	91.4	Very high	70 Å²	70	35.1 Å²	35.1	32%	0.324	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-99.6	-5.9	-177.8	-60.4	-59.8	0	0	0	113.4	P420 A423 I452 S453	P420-H455 HydrophobicContact CB-CB 4.47Å; A423-H455 HydrophobicContact CB-CB 4.04Å; I452-H455 PolarHBondContact O-N 2.74Å; S453-H455 VanDerWaalsContact C-N 3.28Å; S453-H455 PolarHBondContact O-N 3.42Å
456	I	91.1	Very high	91.2	Very high	10 Å²	10	35.1 Å²	35.1	5%	0.051	18%	0.177	C	C	.	.			trans	-125.1	155.9	-173	59	167.7	0	0	0	111.2	A423 L427 L449 I452 L458 N489	A423-I456 HydrophobicContact CB-CG2 4.21Å; L427-I456 HydrophobicContact CD1-CD1 3.62Å; L427-I456 HydrophobicContact CD2-CB 4.29Å; L427-I456 HydrophobicContact CD2-CG2 4.47Å; L449-I456 HydrophobicContact CD1-CD1 3.39Å; L449-I456 HydrophobicContact CG-CD1 4.07Å; I452-I456 HydrophobicContact CG1-CD1 4.3Å; I456-L458 HydrophobicContact CD1-CD2 4.5Å; I456-N489 PolarHBondContact O-ND2 3.25Å
457	T	91	Very high	91.2	Very high	71 Å²	71	35.3 Å²	35.3	44%	0.436	18%	0.178	S	C	.	.			trans	-128.8	125.7	169.6	-56.3	0	0	0	0	107.8	N489 S491	T457-N489 HydrophobicContact CG2-CB 4.37Å; T457-S491 WeakPolarHBondContact CG2-OG 3.45Å
458	L	91	Very high	91.1	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.016	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-78	136.4	179.4	-64.1	-173.8	0	0	0	110.7	L427 I456 Q462 L463 V466 T488 N489	L427-L458 HydrophobicContact CD1-CD2 3.86Å; L427-L458 HydrophobicContact CD2-CD2 4.26Å; I456-L458 HydrophobicContact CD1-CD2 4.5Å; L458-Q462 HydrophobicContact CD2-CB 4.4Å; L458-L463 HydrophobicContact CD1-CD1 4.16Å; L458-V466 HydrophobicContact CD1-CG2 4.31Å; L458-T488 HydrophobicContact CB-CG2 4.3Å; L458-T488 HydrophobicContact CD1-CG2 3.42Å; L458-T488 VanDerWaalsContact CD1-CG2 3.42Å; L458-T488 HydrophobicContact CG-CG2 3.76Å; L458-N489 PolarHBondContact N-O 2.75Å
459	R	87.9	Confident	91	Very high	48 Å²	48	34.9 Å²	34.9	18%	0.181	19%	0.185	C	C	.	.			trans	-84.7	166.9	166.9	-58.6	-171.7	-53.3	-86.7	0.4	110.5	D428 D461 Q462 L463	D428-R459 IonicContact OD1-CZ 3.18Å; D428-R459 IonicContact OD1-NH1 2.74Å; D428-R459 IonicContact OD1-NH2 3.67Å; D428-R459 PolarHBondContact OD1-NH2 3.03Å; R459-D461 WeakPolarHBondContact CB-OD1 3.44Å; R459-D461 IonicContact CZ-OD1 3.88Å; R459-D461 IonicContact CZ-OD2 3.27Å; R459-D461 IonicContact NE-OD1 2.77Å; R459-D461 PolarHBondContact NE-OD1 2.96Å; R459-D461 IonicContact NE-OD2 3.31Å; R459-D461 IonicContact NH2-OD1 3.38Å; R459-D461 IonicContact NH2-OD2 3.2Å; R459-D461 PolarHBondContact NH2-OD2 2.71Å; R459-D461 VanDerWaalsContact NH2-OD2 3.07Å; R459-D461 PolarHBondContact O-N 2.88Å; R459-Q462 HydrophobicContact CB-CG 4.41Å; R459-Q462 VanDerWaalsContact CZ-CD 3.4Å; R459-Q462 VanDerWaalsContact CZ-NE2 3.29Å; R459-Q462 PolarHBondContact O-N 2.92Å; R459-L463 VanDerWaalsContact O-CB 3.31Å; R459-L463 WeakPolarHBondContact O-CB 3.26Å; R459-L463 PolarHBondContact O-N 2.88Å
460	E	86.3	Confident	91	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	19%	0.185	S	C	.	.	H	α-helix	trans	-58.1	-47.3	178.7	-165.8	172.5	169.4	0	0	112.1	Q462 L463 D464	E460-Q462 VanDerWaalsContact C-N 3.31Å; E460-Q462 PolarHBondContact O-N 3.01Å; E460-L463 PolarHBondContact O-N 3.24Å; E460-L463 VanDerWaalsContact O-N 3.17Å; E460-D464 PolarHBondContact O-N 2.69Å
461	D	84.8	Confident	90.9	Very high	35 Å²	35	36 Å²	36	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-36.9	179	65.6	-65.6	0	0	0	113.5	H350 A353 R459 T465	H350-D461 IonicContact CE1-OD2 3.33Å; H350-D461 IonicContact CG-OD2 3.83Å; H350-D461 IonicContact ND1-OD2 2.6Å; H350-D461 PolarHBondContact ND1-OD2 2.77Å; A353-D461 HydrophobicContact CB-CB 4.31Å; R459-D461 WeakPolarHBondContact CB-OD1 3.44Å; R459-D461 IonicContact CZ-OD1 3.88Å; R459-D461 IonicContact CZ-OD2 3.27Å; R459-D461 IonicContact NE-OD1 2.77Å; R459-D461 PolarHBondContact NE-OD1 2.96Å; R459-D461 IonicContact NE-OD2 3.31Å; R459-D461 IonicContact NH2-OD1 3.38Å; R459-D461 IonicContact NH2-OD2 3.2Å; R459-D461 PolarHBondContact NH2-OD2 2.71Å; R459-D461 VanDerWaalsContact NH2-OD2 3.07Å; R459-D461 PolarHBondContact O-N 2.88Å; D461-T465 PolarHBondContact O-OG1 3.47Å
462	Q	90.1	Very high	90.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-75.8	-38.3	178.1	-63.1	171.4	-39.4	0	0	110.9	L427 D428 L458 R459 E460 T465 V466	L427-Q462 VanDerWaalsContact CD2-NE2 3.33Å; D428-Q462 PolarHBondContact OD1-NE2 2.61Å; L458-Q462 HydrophobicContact CD2-CB 4.4Å; R459-Q462 HydrophobicContact CB-CG 4.41Å; R459-Q462 VanDerWaalsContact CZ-CD 3.4Å; R459-Q462 VanDerWaalsContact CZ-NE2 3.29Å; R459-Q462 PolarHBondContact O-N 2.92Å; E460-Q462 VanDerWaalsContact C-N 3.31Å; E460-Q462 PolarHBondContact O-N 3.01Å; Q462-T465 PolarHBondContact O-N 3.12Å; Q462-V466 VanDerWaalsContact O-CG2 3.31Å; Q462-V466 WeakPolarHBondContact O-CG2 3.3Å; Q462-V466 PolarHBondContact O-N 3.43Å
463	L	92.2	Very high	90.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-38.9	179.3	-177.2	62.7	0	0	0	111.2	L458 R459 E460 T465 V466 L467 L485 V490 C495 L498	L458-L463 HydrophobicContact CD1-CD1 4.16Å; R459-L463 VanDerWaalsContact O-CB 3.31Å; R459-L463 WeakPolarHBondContact O-CB 3.26Å; R459-L463 PolarHBondContact O-N 2.88Å; E460-L463 PolarHBondContact O-N 3.24Å; E460-L463 VanDerWaalsContact O-N 3.17Å; L463-T465 VanDerWaalsContact C-N 3.33Å; L463-T465 PolarHBondContact O-N 3.3Å; L463-V466 PolarHBondContact O-N 2.55Å; L463-L467 HydrophobicContact CD1-CD1 4.05Å; L463-L467 HydrophobicContact CD1-CD2 4.37Å; L463-L467 HydrophobicContact CD1-CG 3.9Å; L463-L467 HydrophobicContact CD2-CD1 4.29Å; L463-L467 HydrophobicContact CG-CD1 3.71Å; L463-L467 HydrophobicContact CG-CG 4.05Å; L463-L467 WeakPolarHBondContact O-CB 3.34Å; L463-L467 VanDerWaalsContact O-CG 3.22Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.07Å; L463-L485 HydrophobicContact CD1-CD2 4.14Å; L463-V490 HydrophobicContact CD2-CG1 4.1Å; L463-C495 HydrophobicContact CD2-CB 3.56Å; L463-C495 WeakPolarHBondContact CD2-O 3.26Å; L463-L498 HydrophobicContact CD2-CD2 4.27Å; L463-L498 HydrophobicContact CG-CD2 4.28Å
464	D	90.2	Very high	90.7	Very high	77 Å²	77	38.6 Å²	38.6	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-53.4	-50.1	172.2	-82.3	-36.9	0	0	0	111.4	E460 V466 L467 A468 L498	E460-D464 PolarHBondContact O-N 2.69Å; D464-V466 PolarHBondContact O-N 2.79Å; D464-L467 PolarHBondContact O-N 3.31Å; D464-A468 PolarHBondContact O-N 3.36Å; D464-L498 WeakPolarHBondContact OD1-CD1 3.2Å; D464-L498 WeakPolarHBondContact OD1-CD2 3.46Å
465	T	90.9	Very high	90.7	Very high	30 Å²	30	36.3 Å²	36.3	18%	0.184	20%	0.199	C	C	.	.	H	α-helix	trans	-61.5	-44.4	176.9	-59.3	0	0	0	0	112	V431 N435 D461 Q462 L463 L467 A468	V431-T465 HydrophobicContact CG1-CG2 3.69Å; N435-T465 VanDerWaalsContact ND2-CG2 3.33Å; N435-T465 WeakPolarHBondContact ND2-CG2 3.39Å; D461-T465 PolarHBondContact O-OG1 3.47Å; Q462-T465 PolarHBondContact O-N 3.12Å; L463-T465 VanDerWaalsContact C-N 3.33Å; L463-T465 PolarHBondContact O-N 3.3Å; T465-L467 VanDerWaalsContact C-N 3.34Å; T465-L467 PolarHBondContact O-N 3.12Å; T465-A468 WeakPolarHBondContact O-CB 3.5Å; T465-A468 PolarHBondContact O-N 2.71Å
466	V	93.7	Very high	90.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-41.4	178.3	165.8	0	0	0	0	111.3	V431 F434 L449 L458 Q462 L463 D464 L481 L484	V431-V466 HydrophobicContact CG1-CG2 4.2Å; V431-V466 HydrophobicContact CG2-CG2 4.18Å; F434-V466 HydrophobicContact CD2-CB 4.41Å; F434-V466 HydrophobicContact CD2-CG2 4.12Å; F434-V466 HydrophobicContact CE2-CB 4.28Å; F434-V466 HydrophobicContact CE2-CG1 4.01Å; F434-V466 HydrophobicContact CE2-CG2 3.89Å; F434-V466 HydrophobicContact CZ-CG2 4.47Å; L449-V466 HydrophobicContact CD2-CG2 4.44Å; L458-V466 HydrophobicContact CD1-CG2 4.31Å; Q462-V466 VanDerWaalsContact O-CG2 3.31Å; Q462-V466 WeakPolarHBondContact O-CG2 3.3Å; Q462-V466 PolarHBondContact O-N 3.43Å; L463-V466 PolarHBondContact O-N 2.55Å; D464-V466 PolarHBondContact O-N 2.79Å; V466-L481 HydrophobicContact CG1-CD1 3.53Å; V466-L481 WeakPolarHBondContact O-CD2 3.48Å; V466-L484 HydrophobicContact CG1-CD2 4.26Å
467	L	94.8	Very high	90.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-74.8	-26	-178.4	-70.4	173.6	0	0	0	113.1	L463 D464 T465 V469 L470 L485 L498 A499 E502	L463-L467 HydrophobicContact CD1-CD1 4.05Å; L463-L467 HydrophobicContact CD1-CD2 4.37Å; L463-L467 HydrophobicContact CD1-CG 3.9Å; L463-L467 HydrophobicContact CD2-CD1 4.29Å; L463-L467 HydrophobicContact CG-CD1 3.71Å; L463-L467 HydrophobicContact CG-CG 4.05Å; L463-L467 WeakPolarHBondContact O-CB 3.34Å; L463-L467 VanDerWaalsContact O-CG 3.22Å; L463-L467 WeakPolarHBondContact O-CG 3.41Å; L463-L467 PolarHBondContact O-N 3.07Å; D464-L467 PolarHBondContact O-N 3.31Å; T465-L467 VanDerWaalsContact C-N 3.34Å; T465-L467 PolarHBondContact O-N 3.12Å; L467-V469 PolarHBondContact O-N 3.1Å; L467-V469 VanDerWaalsContact O-N 3.12Å; L467-L470 HydrophobicContact CD2-CD1 3.79Å; L467-L470 VanDerWaalsContact O-CB 3.24Å; L467-L470 WeakPolarHBondContact O-CB 3.14Å; L467-L470 WeakPolarHBondContact O-CG 3.5Å; L467-L470 PolarHBondContact O-N 2.94Å; L467-L485 HydrophobicContact CD2-CD1 3.85Å; L467-L485 HydrophobicContact CD2-CD2 4.2Å; L467-L498 HydrophobicContact CD1-CD2 3.86Å; L467-L498 HydrophobicContact CD1-CG 3.74Å; L467-A499 HydrophobicContact CD1-CB 4.17Å; L467-A499 HydrophobicContact CD2-CB 4.37Å; L467-E502 HydrophobicContact CB-CB 4.36Å; L467-E502 HydrophobicContact CB-CG 4.16Å; L467-E502 HydrophobicContact CD1-CB 4.4Å
468	A	92.9	Very high	91	Very high	50 Å²	50	31.8 Å²	31.8	41%	0.413	17%	0.174	S	C	.	.	H	α-helix	trans	-56.7	-27.8	175.1	0	0	0	0	0	112.7	D464 T465 L470 E471	D464-A468 PolarHBondContact O-N 3.36Å; T465-A468 WeakPolarHBondContact O-CB 3.5Å; T465-A468 PolarHBondContact O-N 2.71Å; A468-L470 PolarHBondContact O-N 2.71Å; A468-E471 PolarHBondContact O-N 3.36Å; A468-E471 VanDerWaalsContact O-N 3.16Å
469	V	93.6	Very high	91.1	Very high	8 Å²	8	33.5 Å²	33.5	5%	0.048	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-67.2	-15.8	176.3	176.3	0	0	0	0	113	F434 I446 L467 E471 D472 I477 L481	F434-V469 HydrophobicContact CB-CG2 3.84Å; F434-V469 HydrophobicContact CD2-CG2 3.85Å; F434-V469 HydrophobicContact CG-CG2 4.31Å; I446-V469 HydrophobicContact CD1-CG1 4.01Å; L467-V469 PolarHBondContact O-N 3.1Å; L467-V469 VanDerWaalsContact O-N 3.12Å; V469-E471 PolarHBondContact O-N 2.91Å; V469-E471 VanDerWaalsContact O-N 3.11Å; V469-D472 HydrophobicContact CG1-CB 4.48Å; V469-D472 WeakPolarHBondContact O-CB 3.42Å; V469-D472 PolarHBondContact O-N 3.17Å; V469-I477 HydrophobicContact CG1-CG2 3.31Å; V469-L481 HydrophobicContact CB-CD2 3.72Å; V469-L481 HydrophobicContact CG1-CD2 3.94Å
470	L	94.2	Very high	91.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.9	-15.2	171.5	-69.7	171.7	0	0	0	113.1	L467 A468 R478 L481 H482 E502 L503 N506	L467-L470 HydrophobicContact CD2-CD1 3.79Å; L467-L470 VanDerWaalsContact O-CB 3.24Å; L467-L470 WeakPolarHBondContact O-CB 3.14Å; L467-L470 WeakPolarHBondContact O-CG 3.5Å; L467-L470 PolarHBondContact O-N 2.94Å; A468-L470 PolarHBondContact O-N 2.71Å; L470-R478 WeakPolarHBondContact O-CD 3.27Å; L470-L481 HydrophobicContact CB-CD2 4.39Å; L470-L481 HydrophobicContact CD2-CD2 3.64Å; L470-L481 HydrophobicContact CD2-CG 4.2Å; L470-L481 HydrophobicContact CG-CD2 3.57Å; L470-L481 HydrophobicContact CG-CG 4.49Å; L470-H482 WeakPolarHBondContact CD2-NE2 3.25Å; L470-E502 HydrophobicContact CB-CG 4.38Å; L470-E502 HydrophobicContact CD1-CB 4.06Å; L470-E502 HydrophobicContact CD1-CG 3.71Å; L470-L503 HydrophobicContact CD1-CD2 3.95Å; L470-L503 HydrophobicContact CD1-CG 4.29Å; L470-L503 HydrophobicContact CD2-CD2 4.15Å; L470-N506 HydrophobicContact CB-CB 4.22Å; L470-N506 PolarHBondContact O-ND2 3.13Å
471	E	91.4	Very high	91.8	Very high	93 Å²	93	28.1 Å²	28.1	44%	0.435	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-85.8	-8.1	175.3	-61	-164.4	161.1	0	0	114.3	A468 V469 K505 K509 Y510	A468-E471 PolarHBondContact O-N 3.36Å; A468-E471 VanDerWaalsContact O-N 3.16Å; V469-E471 PolarHBondContact O-N 2.91Å; V469-E471 VanDerWaalsContact O-N 3.11Å; E471-K505 WeakPolarHBondContact OE1-CE 3.38Å; E471-K505 IonicContact OE1-NZ 3.99Å; E471-K505 PolarHBondContact OE1-NZ 3.42Å; E471-K509 PolarHBondContact O-NZ 3.49Å; E471-K509 VanDerWaalsContact O-NZ 3.13Å; E471-Y510 PolarHBondContact O-OH 3.31Å
472	D	92.4	Very high	92.4	Very high	21 Å²	21	26.6 Å²	26.6	11%	0.112	15%	0.152	C	C	.	.			trans	-58.5	141.6	-177.7	-163.7	-56.5	0	0	0	111.3	R442 V469 S474 I477 R478	R442-D472 IonicContact CZ-OD2 2.69Å; R442-D472 VanDerWaalsContact CZ-OD2 3.31Å; R442-D472 IonicContact NE-OD2 2.92Å; R442-D472 PolarHBondContact NE-OD2 3.42Å; R442-D472 IonicContact NH2-OD1 2.71Å; R442-D472 IonicContact NH2-OD2 2.72Å; R442-D472 PolarHBondContact NH2-OD2 3.3Å; V469-D472 HydrophobicContact CG1-CB 4.48Å; V469-D472 WeakPolarHBondContact O-CB 3.42Å; V469-D472 PolarHBondContact O-N 3.17Å; D472-S474 VanDerWaalsContact C-N 3.3Å; D472-S474 PolarHBondContact O-N 3.15Å; D472-S474 VanDerWaalsContact OD1-CB 3.31Å; D472-S474 WeakPolarHBondContact OD1-CB 3.46Å; D472-S474 PolarHBondContact OD1-N 3.25Å; D472-I477 HydrophobicContact CB-CG2 4.07Å; D472-I477 WeakPolarHBondContact OD2-CD1 3.42Å; D472-R478 HydrophobicContact CB-CG 4.46Å; D472-R478 VanDerWaalsContact O-CD 3.3Å; D472-R478 WeakPolarHBondContact O-CD 3.38Å; D472-R478 PolarHBondContact O-NH1 3.27Å
473	S	89.9	Confident	92.6	Very high	93 Å²	93	29.4 Å²	29.4	65%	0.65	17%	0.165	S	C	*	.	S	Bend	trans	-68.7	-29.8	177.9	47.8	0	0	0	0	113	R475 R478	S473-R475 PolarHBondContact O-N 3.45Å; S473-R478 VanDerWaalsContact C-NH1 3.29Å; S473-R478 PolarHBondContact O-NH1 2.67Å
474	S	90.4	Very high	92.7	Very high	26 Å²	26	29.4 Å²	29.4	18%	0.182	17%	0.165	C	C	.	.			trans	-72.2	119.3	-178.8	-179.4	0	0	0	0	111.2	D472 D476 I477 R478	D472-S474 VanDerWaalsContact C-N 3.3Å; D472-S474 PolarHBondContact O-N 3.15Å; D472-S474 VanDerWaalsContact OD1-CB 3.31Å; D472-S474 WeakPolarHBondContact OD1-CB 3.46Å; D472-S474 PolarHBondContact OD1-N 3.25Å; S474-D476 VanDerWaalsContact C-N 3.28Å; S474-D476 PolarHBondContact O-N 3.12Å; S474-I477 PolarHBondContact O-N 3.31Å; S474-R478 WeakPolarHBondContact O-CG 3.42Å; S474-R478 PolarHBondContact O-N 3.3Å
475	R	87.8	Confident	93	Very high	50 Å²	50	26 Å²	26	19%	0.189	15%	0.147	C	C	.	.	H	α-helix	trans	-61.1	-38.2	175.3	-176.1	178.7	-173.1	164.3	9	112	S473 I477 R478 E479 T512 D865	S473-R475 PolarHBondContact O-N 3.45Å; R475-I477 VanDerWaalsContact C-N 3.34Å; R475-I477 PolarHBondContact O-N 3.45Å; R475-R478 PolarHBondContact O-N 3.02Å; R475-E479 HydrophobicContact CG-CG 4.22Å; R475-E479 IonicContact CZ-OE1 3.31Å; R475-E479 IonicContact NE-OE1 3.82Å; R475-E479 PolarHBondContact NE-OE1 3.07Å; R475-E479 IonicContact NH2-OE1 3Å; R475-E479 WeakPolarHBondContact O-CB 3.41Å; R475-E479 WeakPolarHBondContact O-CG 3.37Å; R475-E479 PolarHBondContact O-N 3.18Å; R475-T512 PolarHBondContact NH2-O 2.84Å; R475-D865 IonicContact CZ-OD2 3.52Å; R475-D865 IonicContact NH1-OD2 3.31Å; R475-D865 PolarHBondContact NH1-OD2 3.41Å; R475-D865 IonicContact NH2-OD2 3.31Å; R475-D865 PolarHBondContact NH2-OD2 3.39Å
476	D	88.4	Confident	93.2	Very high	47 Å²	47	24.8 Å²	24.8	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-63.6	-41.5	-177.8	-73.2	-17.1	0	0	0	111.3	S474 A480 R900	S474-D476 VanDerWaalsContact C-N 3.28Å; S474-D476 PolarHBondContact O-N 3.12Å; D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.35Å; D476-A480 PolarHBondContact O-N 3.16Å; D476-R900 IonicContact OD1-CZ 3.95Å; D476-R900 IonicContact OD1-NH1 2.92Å; D476-R900 IonicContact OD1-NH2 3.07Å; D476-R900 IonicContact OD2-CZ 3.88Å; D476-R900 IonicContact OD2-NH1 3.95Å; D476-R900 PolarHBondContact OD2-NH1 3.2Å; D476-R900 IonicContact OD2-NH2 3.21Å; D476-R900 PolarHBondContact OD2-NH2 3.27Å
477	I	93.7	Very high	93.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-64.5	-46.9	176.7	-68.1	179.3	0	0	0	110.5	E439 R442 L443 I446 V469 D472 S474 R475 E479 A480 L481	E439-I477 HydrophobicContact CB-CD1 4.1Å; R442-I477 HydrophobicContact CB-CD1 4.33Å; L443-I477 HydrophobicContact CB-CG1 4.18Å; L443-I477 HydrophobicContact CD1-CG1 4.28Å; I446-I477 HydrophobicContact CD1-CG2 3.73Å; V469-I477 HydrophobicContact CG1-CG2 3.31Å; D472-I477 HydrophobicContact CB-CG2 4.07Å; D472-I477 WeakPolarHBondContact OD2-CD1 3.42Å; S474-I477 PolarHBondContact O-N 3.31Å; R475-I477 VanDerWaalsContact C-N 3.34Å; R475-I477 PolarHBondContact O-N 3.45Å; I477-E479 PolarHBondContact O-N 3.44Å; I477-A480 PolarHBondContact O-N 3.41Å; I477-L481 WeakPolarHBondContact O-CB 3.45Å; I477-L481 PolarHBondContact O-N 3.25Å
478	R	95.1	Very high	93	Very high	7 Å²	7	29 Å²	29	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-44.4	178.2	-63.6	-164.5	-51.7	-85.4	-2.7	112.2	L470 D472 S473 S474 R475 L481 H482 D513	L470-R478 WeakPolarHBondContact O-CD 3.27Å; D472-R478 HydrophobicContact CB-CG 4.46Å; D472-R478 VanDerWaalsContact O-CD 3.3Å; D472-R478 WeakPolarHBondContact O-CD 3.38Å; D472-R478 PolarHBondContact O-NH1 3.27Å; S473-R478 VanDerWaalsContact C-NH1 3.29Å; S473-R478 PolarHBondContact O-NH1 2.67Å; S474-R478 WeakPolarHBondContact O-CG 3.42Å; S474-R478 PolarHBondContact O-N 3.3Å; R475-R478 PolarHBondContact O-N 3.02Å; R478-L481 WeakPolarHBondContact O-CB 3.45Å; R478-L481 PolarHBondContact O-N 3.22Å; R478-H482 PolarHBondContact O-N 3.21Å; R478-H482 PolarHBondContact O-ND1 2.94Å; R478-D513 IonicContact CZ-OD2 3.53Å; R478-D513 IonicContact NE-OD2 2.71Å; R478-D513 PolarHBondContact NE-OD2 2.94Å; R478-D513 IonicContact NH2-OD1 3.69Å; R478-D513 PolarHBondContact NH2-OD1 3.49Å; R478-D513 IonicContact NH2-OD2 3.81Å; R478-D513 PolarHBondContact NH2-OD2 3.09Å
479	E	91.8	Very high	92.9	Very high	40 Å²	40	28.3 Å²	28.3	19%	0.187	15%	0.146	C	C	.	.	H	α-helix	trans	-65.4	-39.8	177.2	-74.2	-172	-174.9	0	0	112	R475 I477 L481 H482 E483 R908	R475-E479 HydrophobicContact CG-CG 4.22Å; R475-E479 IonicContact CZ-OE1 3.31Å; R475-E479 IonicContact NE-OE1 3.82Å; R475-E479 PolarHBondContact NE-OE1 3.07Å; R475-E479 IonicContact NH2-OE1 3Å; R475-E479 WeakPolarHBondContact O-CB 3.41Å; R475-E479 WeakPolarHBondContact O-CG 3.37Å; R475-E479 PolarHBondContact O-N 3.18Å; I477-E479 PolarHBondContact O-N 3.44Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.3Å; E479-H482 PolarHBondContact O-N 2.85Å; E479-E483 PolarHBondContact O-N 3.33Å; E479-R908 VanDerWaalsContact CD-NH1 3.33Å; E479-R908 IonicContact OE1-CZ 3.8Å; E479-R908 IonicContact OE1-NH1 3.98Å; E479-R908 PolarHBondContact OE1-NH1 3.48Å; E479-R908 VanDerWaalsContact OE1-NH1 3.12Å; E479-R908 IonicContact OE1-NH2 2.75Å; E479-R908 PolarHBondContact OE1-NH2 3.22Å; E479-R908 IonicContact OE2-CZ 3.08Å; E479-R908 IonicContact OE2-NH1 3.78Å; E479-R908 PolarHBondContact OE2-NH1 2.52Å; E479-R908 IonicContact OE2-NH2 3.16Å
480	A	94.1	Very high	92.9	Very high	7 Å²	7	28.5 Å²	28.5	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-61.3	-39.3	174	0	0	0	0	0	111.6	L443 I446 D476 I477 E483 L484	L443-A480 HydrophobicContact CD1-CB 3.64Å; I446-A480 HydrophobicContact CG2-CB 3.82Å; I446-A480 WeakPolarHBondContact CG2-O 3.39Å; D476-A480 VanDerWaalsContact O-CB 3.27Å; D476-A480 WeakPolarHBondContact O-CB 3.35Å; D476-A480 PolarHBondContact O-N 3.16Å; I477-A480 PolarHBondContact O-N 3.41Å; A480-E483 PolarHBondContact O-N 3.32Å; A480-L484 PolarHBondContact O-N 2.75Å
481	L	96.3	Very high	92.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-44	175.7	179.3	61.8	0	0	0	112.4	F434 V466 V469 L470 I477 R478 E479 E483 L484 L485	F434-L481 HydrophobicContact CE2-CD1 4.24Å; V466-L481 HydrophobicContact CG1-CD1 3.53Å; V466-L481 WeakPolarHBondContact O-CD2 3.48Å; V469-L481 HydrophobicContact CB-CD2 3.72Å; V469-L481 HydrophobicContact CG1-CD2 3.94Å; L470-L481 HydrophobicContact CB-CD2 4.39Å; L470-L481 HydrophobicContact CD2-CD2 3.64Å; L470-L481 HydrophobicContact CD2-CG 4.2Å; L470-L481 HydrophobicContact CG-CD2 3.57Å; L470-L481 HydrophobicContact CG-CG 4.49Å; I477-L481 WeakPolarHBondContact O-CB 3.45Å; I477-L481 PolarHBondContact O-N 3.25Å; R478-L481 WeakPolarHBondContact O-CB 3.45Å; R478-L481 PolarHBondContact O-N 3.22Å; E479-L481 VanDerWaalsContact C-N 3.29Å; E479-L481 PolarHBondContact O-N 3.3Å; L481-E483 PolarHBondContact O-N 3.11Å; L481-L484 HydrophobicContact CD1-CD2 4.03Å; L481-L484 WeakPolarHBondContact O-CB 3.46Å; L481-L484 PolarHBondContact O-N 3.05Å; L481-L484 VanDerWaalsContact O-N 3.16Å; L481-L485 WeakPolarHBondContact O-CG 3.27Å; L481-L485 PolarHBondContact O-N 3.04Å
482	H	95.9	Very high	92.5	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.014	16%	0.159	C	C	.	.	H	α-helix	trans	-56.3	-38.8	172.3	-60.3	145.7	0	0	0	110.9	L470 R478 E479 C486 N506 D513 S516 C520	L470-H482 WeakPolarHBondContact CD2-NE2 3.25Å; R478-H482 PolarHBondContact O-N 3.21Å; R478-H482 PolarHBondContact O-ND1 2.94Å; E479-H482 PolarHBondContact O-N 2.85Å; H482-C486 PolarHBondContact O-N 2.83Å; H482-C486 PolarHBondContact O-SG 3.34Å; H482-N506 PolarHBondContact NE2-OD1 3.4Å; H482-N506 VanDerWaalsContact NE2-OD1 3.16Å; H482-D513 IonicContact CE1-OD2 3.12Å; H482-S516 PolarHBondContact CE1-OG 3.3Å; H482-S516 WeakPolarHBondContact ND1-CB 3.22Å; H482-S516 PolarHBondContact ND1-OG 3.33Å; H482-C520 HydrophobicContact CB-CB 4.36Å
483	E	94.6	Very high	92.6	Very high	60 Å²	60	31.7 Å²	31.7	28%	0.28	17%	0.17	S	C	.	.	H	α-helix	trans	-69.9	-41.6	176.5	-168.4	166.2	-156.1	0	0	112.5	R450 E479 A480 L481 L485 C486 Y487	R450-E483 IonicContact CZ-OE1 3.83Å; R450-E483 IonicContact CZ-OE2 3.4Å; R450-E483 IonicContact NH1-OE1 2.94Å; R450-E483 PolarHBondContact NH1-OE1 2.98Å; R450-E483 VanDerWaalsContact NH1-OE1 3.16Å; R450-E483 IonicContact NH1-OE2 3.45Å; R450-E483 PolarHBondContact NH1-OE2 2.81Å; R450-E483 VanDerWaalsContact NH2-CD 3.27Å; R450-E483 IonicContact NH2-OE1 3.62Å; R450-E483 PolarHBondContact NH2-OE1 2.99Å; R450-E483 IonicContact NH2-OE2 3.02Å; E479-E483 PolarHBondContact O-N 3.33Å; A480-E483 PolarHBondContact O-N 3.32Å; L481-E483 PolarHBondContact O-N 3.11Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 3.13Å; E483-C486 VanDerWaalsContact O-CB 3.24Å; E483-C486 WeakPolarHBondContact O-CB 3.31Å; E483-C486 PolarHBondContact O-N 3.27Å; E483-C486 VanDerWaalsContact O-N 3.15Å; E483-Y487 HydrophobicContact CG-CE2 3.99Å; E483-Y487 WeakPolarHBondContact O-CD2 3.31Å
484	L	95.5	Very high	92.7	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-46.7	172.5	166.6	63.6	0	0	0	111.7	F434 I446 L449 R450 V466 A480 L481 C486 Y487 T488	F434-L484 HydrophobicContact CE2-CD2 3.9Å; F434-L484 HydrophobicContact CZ-CD2 3.74Å; I446-L484 HydrophobicContact CG2-CB 4.06Å; I446-L484 HydrophobicContact CG2-CD2 4.11Å; L449-L484 HydrophobicContact CB-CD1 4.27Å; L449-L484 HydrophobicContact CB-CD2 4.43Å; L449-L484 HydrophobicContact CD2-CD1 4.49Å; L449-L484 HydrophobicContact CD2-CD2 3.98Å; L449-L484 HydrophobicContact CG-CD1 4.19Å; L449-L484 HydrophobicContact CG-CD2 4.44Å; R450-L484 HydrophobicContact CB-CB 4.38Å; R450-L484 HydrophobicContact CB-CD1 3.87Å; V466-L484 HydrophobicContact CG1-CD2 4.26Å; A480-L484 PolarHBondContact O-N 2.75Å; L481-L484 HydrophobicContact CD1-CD2 4.03Å; L481-L484 WeakPolarHBondContact O-CB 3.46Å; L481-L484 PolarHBondContact O-N 3.05Å; L481-L484 VanDerWaalsContact O-N 3.16Å; L484-C486 PolarHBondContact O-N 3.18Å; L484-Y487 PolarHBondContact O-N 2.94Å; L484-T488 PolarHBondContact O-N 2.74Å; L484-T488 VanDerWaalsContact O-N 3.11Å; L484-T488 PolarHBondContact O-OG1 3.21Å
485	L	95.1	Very high	92.9	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-24.8	179.3	-69.9	175.3	0	0	0	112.8	L463 L467 L481 E483 Y487 L503 C520	L463-L485 HydrophobicContact CD1-CD2 4.14Å; L467-L485 HydrophobicContact CD2-CD1 3.85Å; L467-L485 HydrophobicContact CD2-CD2 4.2Å; L481-L485 WeakPolarHBondContact O-CG 3.27Å; L481-L485 PolarHBondContact O-N 3.04Å; E483-L485 VanDerWaalsContact C-N 3.34Å; E483-L485 PolarHBondContact O-N 3.13Å; L485-Y487 PolarHBondContact O-N 2.99Å; L485-L503 HydrophobicContact CD1-CD2 4.23Å; L485-C520 WeakPolarHBondContact CB-SG 3.3Å
486	C	94.5	Very high	93.3	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.034	14%	0.139	C	C	.	.	H	α-helix	trans	-64.2	-27.5	174	-62.6	0	0	0	0	113.2	H482 E483 L484 F523	H482-C486 PolarHBondContact O-N 2.83Å; H482-C486 PolarHBondContact O-SG 3.34Å; E483-C486 VanDerWaalsContact O-CB 3.24Å; E483-C486 WeakPolarHBondContact O-CB 3.31Å; E483-C486 PolarHBondContact O-N 3.27Å; E483-C486 VanDerWaalsContact O-N 3.15Å; L484-C486 PolarHBondContact O-N 3.18Å; C486-F523 HydrophobicContact CB-CB 3.79Å; C486-F523 HydrophobicContact CB-CD2 3.99Å; C486-F523 HydrophobicContact CB-CG 3.98Å
487	Y	93.3	Very high	93.6	Very high	87 Å²	87	27.7 Å²	27.7	34%	0.341	14%	0.139	S	C	.	.	H	α-helix	trans	-108.3	-12.5	-175.8	-59.1	-83.4	0	0	0	113.5	R450 S453 E483 L484 L485	R450-Y487 HydrophobicContact CG-CD2 4.03Å; S453-Y487 WeakPolarHBondContact OG-CB 3.36Å; E483-Y487 HydrophobicContact CG-CE2 3.99Å; E483-Y487 WeakPolarHBondContact O-CD2 3.31Å; L484-Y487 PolarHBondContact O-N 2.94Å; L485-Y487 PolarHBondContact O-N 2.99Å
488	T	91.6	Very high	93.6	Very high	6 Å²	6	29.7 Å²	29.7	4%	0.037	15%	0.15	C	C	.	.			trans	-65.4	140.8	-176.8	-63.7	0	0	0	0	111.4	L458 L484 V490 H528	L458-T488 HydrophobicContact CB-CG2 4.3Å; L458-T488 HydrophobicContact CD1-CG2 3.42Å; L458-T488 VanDerWaalsContact CD1-CG2 3.42Å; L458-T488 HydrophobicContact CG-CG2 3.76Å; L484-T488 PolarHBondContact O-N 2.74Å; L484-T488 VanDerWaalsContact O-N 3.11Å; L484-T488 PolarHBondContact O-OG1 3.21Å; T488-V490 HydrophobicContact CG2-CG1 4.13Å; T488-H528 PolarHBondContact O-CE1 3.08Å; T488-H528 VanDerWaalsContact O-CE1 3.23Å
489	N	91.9	Very high	93.7	Very high	34 Å²	34	29.6 Å²	29.6	18%	0.182	15%	0.15	C	C	.	.			trans	-103	135.2	167.3	-54.6	-57.6	0	0	0	109.5	S453 I456 T457 L458 R527	S453-N489 PolarHBondContact O-ND2 2.93Å; I456-N489 PolarHBondContact O-ND2 3.25Å; T457-N489 HydrophobicContact CG2-CB 4.37Å; L458-N489 PolarHBondContact N-O 2.75Å; N489-R527 PolarHBondContact OD1-NE 3.23Å; N489-R527 PolarHBondContact OD1-NH2 3.4Å
490	V	93	Very high	93.9	Very high	13 Å²	13	27.9 Å²	27.9	8%	0.079	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-120.6	154.2	177	-61.2	0	0	0	0	111.4	L463 T488 C495 I496 H528 L531	L463-V490 HydrophobicContact CD2-CG1 4.1Å; T488-V490 HydrophobicContact CG2-CG1 4.13Å; V490-C495 HydrophobicContact CB-CB 3.7Å; V490-C495 HydrophobicContact CG1-CB 4.08Å; V490-C495 HydrophobicContact CG2-CB 4.03Å; V490-I496 HydrophobicContact CG2-CD1 3.42Å; V490-I496 VanDerWaalsContact CG2-CD1 3.42Å; V490-I496 HydrophobicContact CG2-CG1 3.87Å; V490-H528 PolarHBondContact N-NE2 3.4Å; V490-H528 VanDerWaalsContact N-NE2 3.19Å; V490-L531 HydrophobicContact CG2-CD1 4.03Å
491	S	86.2	Confident	94	Very high	69 Å²	69	32.5 Å²	32.5	48%	0.483	17%	0.165	S	C	.	.	S	Bend	trans	-91.5	-29.9	-170.4	-57.1	0	0	0	0	114.6	T457	T457-S491 WeakPolarHBondContact CG2-OG 3.45Å
492	T	91.9	Very high	94	Very high	32 Å²	32	34.2 Å²	34.2	20%	0.196	17%	0.173	C	C	.	.	S	Bend	trans	-130.3	163.7	-168.8	68.1	0	0	0	0	112.3	E494 C495	T492-E494 VanDerWaalsContact C-N 3.28Å; T492-E494 VanDerWaalsContact CB-OE2 3.32Å; T492-E494 WeakPolarHBondContact CB-OE2 3.33Å; T492-C495 WeakPolarHBondContact O-CB 3.47Å; T492-C495 PolarHBondContact O-N 2.95Å; T492-C495 PolarHBondContact OG1-N 3.34Å; T492-C495 PolarHBondContact OG1-SG 3.5Å; T492-C495 VanDerWaalsContact OG1-SG 3.33Å
493	K	92.9	Very high	94	Very high	81 Å²	81	34 Å²	34	35%	0.352	17%	0.172	S	C	.	.	H	α-helix	trans	-70.7	-29.6	175.6	65.9	172.7	-173.3	167.8	0	111.1	C495 I496 Q497 L531 P534 L535	K493-C495 VanDerWaalsContact C-N 3.31Å; K493-C495 PolarHBondContact O-N 2.88Å; K493-I496 WeakPolarHBondContact O-CB 3.4Å; K493-I496 PolarHBondContact O-N 3.32Å; K493-Q497 PolarHBondContact O-N 3.24Å; K493-L531 WeakPolarHBondContact CB-O 3.2Å; K493-P534 HydrophobicContact CB-CG 4.3Å; K493-P534 HydrophobicContact CD-CB 4.21Å; K493-P534 HydrophobicContact CD-CG 3.83Å; K493-L535 HydrophobicContact CB-CD1 4.32Å; K493-L535 HydrophobicContact CB-CD2 4.28Å; K493-L535 HydrophobicContact CB-CG 4.27Å; K493-L535 HydrophobicContact CD-CD2 4.11Å; K493-L535 HydrophobicContact CG-CD2 4.39Å
494	E	92.9	Very high	94.1	Very high	78 Å²	78	32.6 Å²	32.6	36%	0.364	17%	0.167	S	C	.	.	H	α-helix	trans	-60.7	-40.8	176.8	-67.1	70.6	-157	0	0	110.4	T492 I496 Q497 L498	T492-E494 VanDerWaalsContact C-N 3.28Å; T492-E494 VanDerWaalsContact CB-OE2 3.32Å; T492-E494 WeakPolarHBondContact CB-OE2 3.33Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.46Å; E494-Q497 PolarHBondContact O-N 3.38Å; E494-L498 VanDerWaalsContact O-CB 3.32Å; E494-L498 WeakPolarHBondContact O-CB 3.23Å; E494-L498 PolarHBondContact O-N 2.83Å
495	C	94.2	Very high	94.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-57.6	-41.9	171.4	-71.5	0	0	0	0	113.2	L463 V490 T492 K493 A499	L463-C495 HydrophobicContact CD2-CB 3.56Å; L463-C495 WeakPolarHBondContact CD2-O 3.26Å; V490-C495 HydrophobicContact CB-CB 3.7Å; V490-C495 HydrophobicContact CG1-CB 4.08Å; V490-C495 HydrophobicContact CG2-CB 4.03Å; T492-C495 WeakPolarHBondContact O-CB 3.47Å; T492-C495 PolarHBondContact O-N 2.95Å; T492-C495 PolarHBondContact OG1-N 3.34Å; T492-C495 PolarHBondContact OG1-SG 3.5Å; T492-C495 VanDerWaalsContact OG1-SG 3.33Å; K493-C495 VanDerWaalsContact C-N 3.31Å; K493-C495 PolarHBondContact O-N 2.88Å; C495-A499 WeakPolarHBondContact O-CB 3.39Å; C495-A499 PolarHBondContact O-N 2.88Å
496	I	95.4	Very high	94.2	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-67.6	-42.5	178.5	-62.1	-67.9	0	0	0	110.5	V490 K493 E494 A499 L500 L524 H528 L531 V532 L535 L564	V490-I496 HydrophobicContact CG2-CD1 3.42Å; V490-I496 VanDerWaalsContact CG2-CD1 3.42Å; V490-I496 HydrophobicContact CG2-CG1 3.87Å; K493-I496 WeakPolarHBondContact O-CB 3.4Å; K493-I496 PolarHBondContact O-N 3.32Å; E494-I496 VanDerWaalsContact C-N 3.33Å; E494-I496 PolarHBondContact O-N 3.46Å; I496-A499 PolarHBondContact O-N 3.42Å; I496-L500 WeakPolarHBondContact O-CB 3.42Å; I496-L500 PolarHBondContact O-N 3.41Å; I496-L524 HydrophobicContact CD1-CD1 3.82Å; I496-L524 HydrophobicContact CD1-CD2 4.18Å; I496-L524 HydrophobicContact CD1-CG 3.84Å; I496-H528 HydrophobicContact CD1-CB 3.87Å; I496-H528 HydrophobicContact CG1-CB 4.48Å; I496-L531 HydrophobicContact CG1-CB 4.03Å; I496-L531 HydrophobicContact CG1-CD1 4.37Å; I496-V532 HydrophobicContact CG2-CG2 4.01Å; I496-L535 HydrophobicContact CB-CD1 4.11Å; I496-L535 HydrophobicContact CG2-CD1 3.94Å; I496-L564 HydrophobicContact CG2-CD2 4.41Å
497	Q	94.9	Very high	94.1	Very high	52 Å²	52	37 Å²	37	24%	0.243	19%	0.185	C	C	.	.	H	α-helix	trans	-62.7	-46.5	177.6	-176.6	169.3	8.6	0	0	111.3	K493 E494 L500 L501 L535 E538	K493-Q497 PolarHBondContact O-N 3.24Å; E494-Q497 PolarHBondContact O-N 3.38Å; Q497-L500 PolarHBondContact O-N 2.8Å; Q497-L501 HydrophobicContact CG-CD1 4.15Å; Q497-L501 VanDerWaalsContact O-CG 3.3Å; Q497-L501 WeakPolarHBondContact O-CG 3.3Å; Q497-L501 PolarHBondContact O-N 2.78Å; Q497-L535 HydrophobicContact CB-CD1 4.28Å; Q497-L535 HydrophobicContact CB-CD2 4.46Å; Q497-E538 PolarHBondContact NE2-OE1 2.89Å
498	L	94.5	Very high	94.1	Very high	43 Å²	43	38.5 Å²	38.5	23%	0.225	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-49.9	175.4	178.9	73.5	0	0	0	111.7	L463 D464 L467 E494 L500 L501 E502	L463-L498 HydrophobicContact CD2-CD2 4.27Å; L463-L498 HydrophobicContact CG-CD2 4.28Å; D464-L498 WeakPolarHBondContact OD1-CD1 3.2Å; D464-L498 WeakPolarHBondContact OD1-CD2 3.46Å; L467-L498 HydrophobicContact CD1-CD2 3.86Å; L467-L498 HydrophobicContact CD1-CG 3.74Å; E494-L498 VanDerWaalsContact O-CB 3.32Å; E494-L498 WeakPolarHBondContact O-CB 3.23Å; E494-L498 PolarHBondContact O-N 2.83Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.31Å; L498-L501 PolarHBondContact O-N 2.91Å; L498-E502 PolarHBondContact O-N 3.37Å
499	A	96.4	Very high	94.1	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.033	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-42.4	178	0	0	0	0	0	112.1	L467 C495 I496 L503 L524	L467-A499 HydrophobicContact CD1-CB 4.17Å; L467-A499 HydrophobicContact CD2-CB 4.37Å; C495-A499 WeakPolarHBondContact O-CB 3.39Å; C495-A499 PolarHBondContact O-N 2.88Å; I496-A499 PolarHBondContact O-N 3.42Å; A499-L503 VanDerWaalsContact O-CB 3.27Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 WeakPolarHBondContact O-CD1 3.4Å; A499-L503 WeakPolarHBondContact O-CG 3.26Å; A499-L503 PolarHBondContact O-N 3.3Å; A499-L524 HydrophobicContact CB-CD2 4.12Å
500	L	96.6	Very high	94.1	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-47.8	176.3	177.4	63.6	0	0	0	111.3	I496 Q497 L498 E502 L503 L504 L521 L539 V561 L564	I496-L500 WeakPolarHBondContact O-CB 3.42Å; I496-L500 PolarHBondContact O-N 3.41Å; Q497-L500 PolarHBondContact O-N 2.8Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.31Å; L500-E502 PolarHBondContact O-N 3.06Å; L500-L503 PolarHBondContact O-N 3.38Å; L500-L504 HydrophobicContact CD1-CD1 4.2Å; L500-L504 HydrophobicContact CD1-CD2 4.5Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.43Å; L500-L504 VanDerWaalsContact O-CG 3.26Å; L500-L504 WeakPolarHBondContact O-CG 3.41Å; L500-L504 PolarHBondContact O-N 3.46Å; L500-L521 HydrophobicContact CD1-CD1 3.96Å; L500-L521 HydrophobicContact CD1-CD2 3.68Å; L500-L539 HydrophobicContact CD2-CD1 4.11Å; L500-L539 HydrophobicContact CD2-CD2 3.41Å; L500-L539 VanDerWaalsContact CD2-CD2 3.41Å; L500-L539 HydrophobicContact CD2-CG 4.39Å; L500-V561 HydrophobicContact CD1-CG2 4.45Å; L500-V561 HydrophobicContact CD2-CG2 4.37Å; L500-L564 HydrophobicContact CD1-CD2 4.29Å; L500-L564 HydrophobicContact CD2-CD2 3.95Å
501	L	95.8	Very high	93.8	Very high	104 Å²	104	47.4 Å²	47.4	55%	0.545	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-45.9	-179.5	-72.2	171.4	0	0	0	112	Q497 L498 L504 K505	Q497-L501 HydrophobicContact CG-CD1 4.15Å; Q497-L501 VanDerWaalsContact O-CG 3.3Å; Q497-L501 WeakPolarHBondContact O-CG 3.3Å; Q497-L501 PolarHBondContact O-N 2.78Å; L498-L501 PolarHBondContact O-N 2.91Å; L501-L504 PolarHBondContact O-N 2.69Å; L501-K505 WeakPolarHBondContact O-CB 3.38Å; L501-K505 PolarHBondContact O-N 3.07Å
502	E	96.8	Very high	93.7	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-70.6	-34.6	180	-161.8	59.7	-144.8	0	0	111.9	L467 L470 L498 L500 L504 K505 N506	L467-E502 HydrophobicContact CB-CB 4.36Å; L467-E502 HydrophobicContact CB-CG 4.16Å; L467-E502 HydrophobicContact CD1-CB 4.4Å; L470-E502 HydrophobicContact CB-CG 4.38Å; L470-E502 HydrophobicContact CD1-CB 4.06Å; L470-E502 HydrophobicContact CD1-CG 3.71Å; L498-E502 PolarHBondContact O-N 3.37Å; L500-E502 PolarHBondContact O-N 3.06Å; E502-L504 PolarHBondContact O-N 3.39Å; E502-K505 PolarHBondContact O-N 3.35Å; E502-K505 WeakPolarHBondContact OE1-CD 3.3Å; E502-K505 WeakPolarHBondContact OE1-CE 3.47Å; E502-K505 IonicContact OE1-NZ 2.82Å; E502-K505 PolarHBondContact OE1-NZ 2.97Å; E502-K505 IonicContact OE2-NZ 3.55Å; E502-K505 PolarHBondContact OE2-NZ 3.3Å; E502-N506 VanDerWaalsContact O-CB 3.3Å; E502-N506 WeakPolarHBondContact O-CB 3.32Å; E502-N506 PolarHBondContact O-N 3.21Å
503	L	96.9	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65	-37	172.2	-74.8	170.7	0	0	0	112.5	L470 L485 A499 L500 N506 L507 V517 L521	L470-L503 HydrophobicContact CD1-CD2 3.95Å; L470-L503 HydrophobicContact CD1-CG 4.29Å; L470-L503 HydrophobicContact CD2-CD2 4.15Å; L485-L503 HydrophobicContact CD1-CD2 4.23Å; A499-L503 VanDerWaalsContact O-CB 3.27Å; A499-L503 WeakPolarHBondContact O-CB 3.35Å; A499-L503 WeakPolarHBondContact O-CD1 3.4Å; A499-L503 WeakPolarHBondContact O-CG 3.26Å; A499-L503 PolarHBondContact O-N 3.3Å; L500-L503 PolarHBondContact O-N 3.38Å; L503-N506 WeakPolarHBondContact O-CB 3.33Å; L503-N506 PolarHBondContact O-N 3.19Å; L503-L507 WeakPolarHBondContact O-CB 3.46Å; L503-L507 PolarHBondContact O-N 3.22Å; L503-V517 HydrophobicContact CB-CG1 4.13Å; L503-V517 HydrophobicContact CD2-CG1 4.49Å; L503-V517 HydrophobicContact CD2-CG2 4.31Å; L503-L521 HydrophobicContact CD1-CD2 3.73Å; L503-L521 HydrophobicContact CD1-CG 4.06Å
504	L	96	Very high	93.5	Very high	30 Å²	30	46.4 Å²	46.4	16%	0.157	23%	0.229	C	C	.	.	H	α-helix	trans	-69.3	-38.8	174.4	-68.9	-178.9	0	0	0	111.7	L500 L501 E502 L507 N508 A557 A560 V561	L500-L504 HydrophobicContact CD1-CD1 4.2Å; L500-L504 HydrophobicContact CD1-CD2 4.5Å; L500-L504 HydrophobicContact CD1-CG 4.12Å; L500-L504 HydrophobicContact CG-CD1 4.17Å; L500-L504 HydrophobicContact CG-CG 4.43Å; L500-L504 VanDerWaalsContact O-CG 3.26Å; L500-L504 WeakPolarHBondContact O-CG 3.41Å; L500-L504 PolarHBondContact O-N 3.46Å; L501-L504 PolarHBondContact O-N 2.69Å; E502-L504 PolarHBondContact O-N 3.39Å; L504-L507 WeakPolarHBondContact O-CB 3.49Å; L504-L507 PolarHBondContact O-N 3.28Å; L504-N508 PolarHBondContact O-N 2.89Å; L504-N508 PolarHBondContact O-ND2 3.24Å; L504-A557 HydrophobicContact CD2-CB 3.8Å; L504-A560 HydrophobicContact CD2-CB 3.84Å; L504-V561 HydrophobicContact CD1-CG2 4.35Å
505	K	95.9	Very high	93.4	Very high	93 Å²	93	46.7 Å²	46.7	40%	0.404	23%	0.233	S	C	.	.	H	α-helix	trans	-63.8	-41.1	172.6	-177.7	176.9	153.4	-137.6	0	111.6	E471 L501 E502 N508 K509	E471-K505 WeakPolarHBondContact OE1-CE 3.38Å; E471-K505 IonicContact OE1-NZ 3.99Å; E471-K505 PolarHBondContact OE1-NZ 3.42Å; L501-K505 WeakPolarHBondContact O-CB 3.38Å; L501-K505 PolarHBondContact O-N 3.07Å; E502-K505 PolarHBondContact O-N 3.35Å; E502-K505 WeakPolarHBondContact OE1-CD 3.3Å; E502-K505 WeakPolarHBondContact OE1-CE 3.47Å; E502-K505 IonicContact OE1-NZ 2.82Å; E502-K505 PolarHBondContact OE1-NZ 2.97Å; E502-K505 IonicContact OE2-NZ 3.55Å; E502-K505 PolarHBondContact OE2-NZ 3.3Å; K505-N508 PolarHBondContact O-N 3.13Å; K505-K509 PolarHBondContact O-N 3.36Å
506	N	95.6	Very high	93.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-45.2	172.4	174	-106.6	0	0	0	111.5	L470 H482 E502 L503 N508 K509 Y510	L470-N506 HydrophobicContact CB-CB 4.22Å; L470-N506 PolarHBondContact O-ND2 3.13Å; H482-N506 PolarHBondContact NE2-OD1 3.4Å; H482-N506 VanDerWaalsContact NE2-OD1 3.16Å; E502-N506 VanDerWaalsContact O-CB 3.3Å; E502-N506 WeakPolarHBondContact O-CB 3.32Å; E502-N506 PolarHBondContact O-N 3.21Å; L503-N506 WeakPolarHBondContact O-CB 3.33Å; L503-N506 PolarHBondContact O-N 3.19Å; N506-N508 VanDerWaalsContact C-N 3.33Å; N506-N508 PolarHBondContact O-N 3.46Å; N506-K509 PolarHBondContact O-N 2.94Å; N506-Y510 PolarHBondContact O-N 2.97Å
507	L	93.3	Very high	93.3	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-39	177.3	-175	60.3	0	0	0	112.9	L503 L504 Y510 P511 R514 P556	L503-L507 WeakPolarHBondContact O-CB 3.46Å; L503-L507 PolarHBondContact O-N 3.22Å; L504-L507 WeakPolarHBondContact O-CB 3.49Å; L504-L507 PolarHBondContact O-N 3.28Å; L507-Y510 CarbonylContact O-C 3.59Å; L507-P511 WeakPolarHBondContact O-CA 3.32Å; L507-R514 HydrophobicContact CD1-CB 3.73Å; L507-R514 HydrophobicContact CD1-CG 4.16Å; L507-P556 HydrophobicContact CD2-CB 4.06Å; L507-P556 HydrophobicContact CD2-CG 4.43Å
508	N	92.4	Very high	93.4	Very high	119 Å²	119	46 Å²	46	64%	0.636	23%	0.232	S	C	*	.	H	α-helix	trans	-68	-37.2	175.5	-74	-26.6	0	0	0	112.5	L504 K505 N506	L504-N508 PolarHBondContact O-N 2.89Å; L504-N508 PolarHBondContact O-ND2 3.24Å; K505-N508 PolarHBondContact O-N 3.13Å; N506-N508 VanDerWaalsContact C-N 3.33Å; N506-N508 PolarHBondContact O-N 3.46Å
509	K	93.1	Very high	93.5	Very high	106 Å²	106	48.7 Å²	48.7	46%	0.461	24%	0.242	S	C	.	.	H	α-helix	trans	-78	-38.3	178.9	-169.7	179	177.1	-163.2	0	112.3	E471 K505 N506	E471-K509 PolarHBondContact O-NZ 3.49Å; E471-K509 VanDerWaalsContact O-NZ 3.13Å; K505-K509 PolarHBondContact O-N 3.36Å; N506-K509 PolarHBondContact O-N 2.94Å
510	Y	90.8	Very high	93.5	Very high	46 Å²	46	48.5 Å²	48.5	18%	0.18	24%	0.24	C	C	.	.			trans	-130.6	80.5	-176.8	-56.2	-74.5	0	0	0	111.2	E471 N506 L507 T512 D513	E471-Y510 PolarHBondContact O-OH 3.31Å; N506-Y510 PolarHBondContact O-N 2.97Å; L507-Y510 CarbonylContact O-C 3.59Å; Y510-T512 PolarHBondContact O-N 3.29Å; Y510-D513 WeakPolarHBondContact O-CB 3.16Å; Y510-D513 PolarHBondContact O-N 3.37Å
511	P	86.8	Confident	93.5	Very high	88 Å²	88	48.3 Å²	48.3	57%	0.571	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-59.5	-23.3	179.8	-26.3	35.7	0	0	0	114.2	L507 D513 R514	L507-P511 WeakPolarHBondContact O-CA 3.32Å; P511-D513 PolarHBondContact O-N 3.41Å; P511-R514 WeakPolarHBondContact O-CB 3.32Å; P511-R514 PolarHBondContact O-N 2.99Å
512	T	84.3	Confident	93.6	Very high	55 Å²	55	46.1 Å²	46.1	34%	0.337	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.7	-20.5	175.9	53.7	0	0	0	0	113.6	R475 Y510 R514 E843	R475-T512 PolarHBondContact NH2-O 2.84Å; Y510-T512 PolarHBondContact O-N 3.29Å; T512-R514 VanDerWaalsContact C-N 3.3Å; T512-E843 HydrophobicContact CG2-CG 4.25Å
513	D	90.5	Very high	93.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-90	2.9	-175.9	-60	1.9	0	0	0	111.8	R478 H482 Y510 P511 N515 S516 V517	R478-D513 IonicContact CZ-OD2 3.53Å; R478-D513 IonicContact NE-OD2 2.71Å; R478-D513 PolarHBondContact NE-OD2 2.94Å; R478-D513 IonicContact NH2-OD1 3.69Å; R478-D513 PolarHBondContact NH2-OD1 3.49Å; R478-D513 IonicContact NH2-OD2 3.81Å; R478-D513 PolarHBondContact NH2-OD2 3.09Å; H482-D513 IonicContact CE1-OD2 3.12Å; Y510-D513 WeakPolarHBondContact O-CB 3.16Å; Y510-D513 PolarHBondContact O-N 3.37Å; P511-D513 PolarHBondContact O-N 3.41Å; D513-N515 VanDerWaalsContact C-N 3.3Å; D513-N515 PolarHBondContact O-N 3.04Å; D513-N515 VanDerWaalsContact O-N 3.14Å; D513-S516 PolarHBondContact O-N 3.26Å; D513-S516 VanDerWaalsContact O-N 3.09Å; D513-S516 PolarHBondContact O-OG 3.42Å; D513-V517 HydrophobicContact CB-CG2 4.37Å; D513-V517 WeakPolarHBondContact O-CG2 3.32Å; D513-V517 PolarHBondContact O-N 3.32Å
514	R	90.9	Very high	93.5	Very high	106 Å²	106	48 Å²	48	40%	0.4	23%	0.233	S	C	.	.	H	α-helix	trans	-46.3	-48	-178	-178.4	176.7	67	-178.6	-6.7	114.3	L507 P511 T512 V517 W518	L507-R514 HydrophobicContact CD1-CB 3.73Å; L507-R514 HydrophobicContact CD1-CG 4.16Å; P511-R514 WeakPolarHBondContact O-CB 3.32Å; P511-R514 PolarHBondContact O-N 2.99Å; T512-R514 VanDerWaalsContact C-N 3.3Å; R514-V517 PolarHBondContact O-N 2.75Å; R514-W518 HydrophobicContact CG-CD2 3.84Å; R514-W518 HydrophobicContact CG-CE3 4.06Å; R514-W518 HydrophobicContact CG-CH2 3.76Å; R514-W518 HydrophobicContact CG-CZ2 3.49Å; R514-W518 VanDerWaalsContact CG-CZ2 3.49Å; R514-W518 HydrophobicContact CG-CZ3 4.03Å; R514-W518 WeakPolarHBondContact O-CB 2.96Å; R514-W518 VanDerWaalsContact O-CG 3.26Å; R514-W518 PolarHBondContact O-N 3.49Å
515	N	89.4	Confident	93.5	Very high	83 Å²	83	46.6 Å²	46.6	44%	0.444	23%	0.225	S	C	.	.	H	α-helix	trans	-68.6	-38.9	-176.4	-69.2	-25.8	0	0	0	112.5	D513 K519	D513-N515 VanDerWaalsContact C-N 3.3Å; D513-N515 PolarHBondContact O-N 3.04Å; D513-N515 VanDerWaalsContact O-N 3.14Å; N515-K519 WeakPolarHBondContact O-CB 3.49Å; N515-K519 PolarHBondContact O-N 3.02Å; N515-K519 VanDerWaalsContact O-N 3.09Å
516	S	92.8	Very high	93.5	Very high	25 Å²	25	44.4 Å²	44.4	18%	0.175	22%	0.222	C	C	.	.	H	α-helix	trans	-72.3	-38.5	177.9	54.6	0	0	0	0	111.1	H482 D513 K519 C520	H482-S516 PolarHBondContact CE1-OG 3.3Å; H482-S516 WeakPolarHBondContact ND1-CB 3.22Å; H482-S516 PolarHBondContact ND1-OG 3.33Å; D513-S516 PolarHBondContact O-N 3.26Å; D513-S516 VanDerWaalsContact O-N 3.09Å; D513-S516 PolarHBondContact O-OG 3.42Å; S516-K519 PolarHBondContact O-N 3.11Å; S516-C520 WeakPolarHBondContact O-CB 3.39Å; S516-C520 PolarHBondContact O-N 3.06Å
517	V	96.4	Very high	93.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-49.4	174.2	172.3	0	0	0	0	111.5	L503 D513 R514 K519 C520 L521	L503-V517 HydrophobicContact CB-CG1 4.13Å; L503-V517 HydrophobicContact CD2-CG1 4.49Å; L503-V517 HydrophobicContact CD2-CG2 4.31Å; D513-V517 HydrophobicContact CB-CG2 4.37Å; D513-V517 WeakPolarHBondContact O-CG2 3.32Å; D513-V517 PolarHBondContact O-N 3.32Å; R514-V517 PolarHBondContact O-N 2.75Å; V517-K519 VanDerWaalsContact C-N 3.33Å; V517-K519 PolarHBondContact O-N 3.27Å; V517-C520 WeakPolarHBondContact O-CB 3.37Å; V517-C520 PolarHBondContact O-N 3.29Å; V517-C520 VanDerWaalsContact O-N 3.15Å; V517-L521 HydrophobicContact CG1-CD1 4.07Å; V517-L521 PolarHBondContact O-N 3.24Å
518	W	96.6	Very high	93.5	Very high	16 Å²	16	50.3 Å²	50.3	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-39.3	177.7	-68.3	-12.7	0	0	0	112.5	R514 C520 L521 K522 P556 I559 L594 L597	R514-W518 HydrophobicContact CG-CD2 3.84Å; R514-W518 HydrophobicContact CG-CE3 4.06Å; R514-W518 HydrophobicContact CG-CH2 3.76Å; R514-W518 HydrophobicContact CG-CZ2 3.49Å; R514-W518 VanDerWaalsContact CG-CZ2 3.49Å; R514-W518 HydrophobicContact CG-CZ3 4.03Å; R514-W518 WeakPolarHBondContact O-CB 2.96Å; R514-W518 VanDerWaalsContact O-CG 3.26Å; R514-W518 PolarHBondContact O-N 3.49Å; W518-C520 VanDerWaalsContact C-N 3.35Å; W518-L521 PolarHBondContact O-N 2.86Å; W518-K522 WeakPolarHBondContact O-CB 3.44Å; W518-K522 PolarHBondContact O-N 3.45Å; W518-P556 HydrophobicContact CZ2-CB 4.12Å; W518-P556 PolarHBondContact NE1-O 3.44Å; W518-I559 HydrophobicContact CD2-CG2 4.43Å; W518-I559 HydrophobicContact CH2-CD1 4.21Å; W518-I559 HydrophobicContact CH2-CG2 4.23Å; W518-I559 HydrophobicContact CZ2-CB 4.01Å; W518-I559 HydrophobicContact CZ2-CD1 4.04Å; W518-I559 HydrophobicContact CZ2-CG2 3.75Å; W518-L594 HydrophobicContact CZ3-CD1 4.2Å; W518-L597 HydrophobicContact CB-CD1 3.92Å; W518-L597 HydrophobicContact CB-CD2 4.37Å; W518-L597 HydrophobicContact CD2-CD1 4.35Å; W518-L597 HydrophobicContact CE3-CD1 3.75Å; W518-L597 HydrophobicContact CG-CD1 4.49Å
519	K	95.9	Very high	93.7	Very high	99 Å²	99	45.6 Å²	45.6	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-43.7	173.1	-177.1	-175	174.5	-166.6	0	111	N515 S516 V517 K522 F523	N515-K519 WeakPolarHBondContact O-CB 3.49Å; N515-K519 PolarHBondContact O-N 3.02Å; N515-K519 VanDerWaalsContact O-N 3.09Å; S516-K519 PolarHBondContact O-N 3.11Å; V517-K519 VanDerWaalsContact C-N 3.33Å; V517-K519 PolarHBondContact O-N 3.27Å; K519-K522 WeakPolarHBondContact O-CB 3.41Å; K519-K522 PolarHBondContact O-N 3.44Å; K519-F523 HydrophobicContact CG-CD2 4.07Å; K519-F523 HydrophobicContact CG-CE2 3.9Å; K519-F523 VanDerWaalsContact O-CD2 3.23Å; K519-F523 WeakPolarHBondContact O-CD2 3.16Å; K519-F523 PolarHBondContact O-N 3.5Å
520	C	96	Very high	93.8	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-51.6	176.4	176.4	0	0	0	0	111.5	H482 L485 S516 V517 W518 K522 F523 L524	H482-C520 HydrophobicContact CB-CB 4.36Å; L485-C520 WeakPolarHBondContact CB-SG 3.3Å; S516-C520 WeakPolarHBondContact O-CB 3.39Å; S516-C520 PolarHBondContact O-N 3.06Å; V517-C520 WeakPolarHBondContact O-CB 3.37Å; V517-C520 PolarHBondContact O-N 3.29Å; V517-C520 VanDerWaalsContact O-N 3.15Å; W518-C520 VanDerWaalsContact C-N 3.35Å; C520-K522 VanDerWaalsContact C-N 3.33Å; C520-K522 PolarHBondContact O-N 3.06Å; C520-F523 PolarHBondContact O-N 3.2Å; C520-F523 VanDerWaalsContact O-N 3.11Å; C520-L524 WeakPolarHBondContact O-CB 3.31Å; C520-L524 PolarHBondContact O-N 3.37Å
521	L	97.5	Very high	94	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-34.5	-179.8	-70.6	170.9	0	0	0	113.4	L500 L503 V517 W518 F523 L524 G525 A560 L564	L500-L521 HydrophobicContact CD1-CD1 3.96Å; L500-L521 HydrophobicContact CD1-CD2 3.68Å; L503-L521 HydrophobicContact CD1-CD2 3.73Å; L503-L521 HydrophobicContact CD1-CG 4.06Å; V517-L521 HydrophobicContact CG1-CD1 4.07Å; V517-L521 PolarHBondContact O-N 3.24Å; W518-L521 PolarHBondContact O-N 2.86Å; L521-F523 PolarHBondContact O-N 3.07Å; L521-L524 HydrophobicContact CD2-CD2 4.34Å; L521-G525 PolarHBondContact O-N 3.35Å; L521-A560 HydrophobicContact CD1-CB 3.53Å; L521-L564 HydrophobicContact CB-CB 4.31Å; L521-L564 HydrophobicContact CD2-CB 4.48Å; L521-L564 HydrophobicContact CD2-CD1 4.25Å; L521-L564 WeakPolarHBondContact O-CD1 3.39Å
522	K	97.3	Very high	94.5	Very high	59 Å²	59	41.5 Å²	41.5	26%	0.257	21%	0.206	S	C	.	.	H	α-helix	trans	-54.6	-52.4	170.1	175.5	-160.5	179.5	174.4	0	110.8	W518 K519 C520 S526 V563 N567 H596 L597	W518-K522 WeakPolarHBondContact O-CB 3.44Å; W518-K522 PolarHBondContact O-N 3.45Å; K519-K522 WeakPolarHBondContact O-CB 3.41Å; K519-K522 PolarHBondContact O-N 3.44Å; C520-K522 VanDerWaalsContact C-N 3.33Å; C520-K522 PolarHBondContact O-N 3.06Å; K522-S526 WeakPolarHBondContact O-CB 3.22Å; K522-S526 PolarHBondContact O-N 2.86Å; K522-S526 VanDerWaalsContact O-N 3.09Å; K522-S526 PolarHBondContact O-OG 3.5Å; K522-V563 HydrophobicContact CB-CG1 3.89Å; K522-N567 WeakPolarHBondContact CG-OD1 3.37Å; K522-N567 WeakPolarHBondContact O-CB 3.47Å; K522-H596 PolarHBondContact NZ-O 2.92Å; K522-L597 HydrophobicContact CD-CD2 4.31Å
523	F	96.8	Very high	95	Very high	69 Å²	69	41.2 Å²	41.2	30%	0.303	20%	0.202	S	C	.	.	H	α-helix	trans	-69.5	-43.6	-178.3	-78.6	-73.3	0	0	0	111.9	C486 K519 C520 L521 G525 S526 R527	C486-F523 HydrophobicContact CB-CB 3.79Å; C486-F523 HydrophobicContact CB-CD2 3.99Å; C486-F523 HydrophobicContact CB-CG 3.98Å; K519-F523 HydrophobicContact CG-CD2 4.07Å; K519-F523 HydrophobicContact CG-CE2 3.9Å; K519-F523 VanDerWaalsContact O-CD2 3.23Å; K519-F523 WeakPolarHBondContact O-CD2 3.16Å; K519-F523 PolarHBondContact O-N 3.5Å; C520-F523 PolarHBondContact O-N 3.2Å; C520-F523 VanDerWaalsContact O-N 3.11Å; L521-F523 PolarHBondContact O-N 3.07Å; F523-G525 VanDerWaalsContact C-N 3.32Å; F523-G525 PolarHBondContact O-N 3.29Å; F523-S526 WeakPolarHBondContact CA-OG 3.34Å; F523-S526 PolarHBondContact O-N 2.85Å; F523-S526 VanDerWaalsContact O-N 3.16Å; F523-S526 PolarHBondContact O-OG 2.61Å; F523-R527 WeakPolarHBondContact O-CG 3.39Å; F523-R527 PolarHBondContact O-N 2.88Å
524	L	95.8	Very high	95.3	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-56.5	-46	178.3	-168.9	66.8	0	0	0	111.7	I496 A499 C520 L521 R527 H528 L564	I496-L524 HydrophobicContact CD1-CD1 3.82Å; I496-L524 HydrophobicContact CD1-CD2 4.18Å; I496-L524 HydrophobicContact CD1-CG 3.84Å; A499-L524 HydrophobicContact CB-CD2 4.12Å; C520-L524 WeakPolarHBondContact O-CB 3.31Å; C520-L524 PolarHBondContact O-N 3.37Å; L521-L524 HydrophobicContact CD2-CD2 4.34Å; L524-R527 PolarHBondContact O-N 3.17Å; L524-H528 PolarHBondContact O-N 3.36Å; L524-H528 VanDerWaalsContact O-N 3.13Å; L524-H528 PolarHBondContact O-ND1 3.11Å; L524-L564 HydrophobicContact CB-CD1 4.29Å; L524-L564 HydrophobicContact CD2-CD1 4.49Å; L524-L564 HydrophobicContact CG-CD1 4.48Å
525	G	96	Very high	95.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-40.1	177	0	0	0	0	0	113.1	L521 F523 R527 L564 A568	L521-G525 PolarHBondContact O-N 3.35Å; F523-G525 VanDerWaalsContact C-N 3.32Å; F523-G525 PolarHBondContact O-N 3.29Å; G525-R527 VanDerWaalsContact C-N 3.3Å; G525-R527 PolarHBondContact O-N 3.35Å; G525-L564 VanDerWaalsContact CA-CD1 3.5Å; G525-A568 WeakPolarHBondContact O-CA 3.37Å
526	S	95.2	Very high	95.7	Very high	47 Å²	47	35.6 Å²	35.6	33%	0.329	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-31.6	178.3	74.6	0	0	0	0	113.5	K522 F523	K522-S526 WeakPolarHBondContact O-CB 3.22Å; K522-S526 PolarHBondContact O-N 2.86Å; K522-S526 VanDerWaalsContact O-N 3.09Å; K522-S526 PolarHBondContact O-OG 3.5Å; F523-S526 WeakPolarHBondContact CA-OG 3.34Å; F523-S526 PolarHBondContact O-N 2.85Å; F523-S526 VanDerWaalsContact O-N 3.16Å; F523-S526 PolarHBondContact O-OG 2.61Å
527	R	94.3	Very high	95.7	Very high	117 Å²	117	36.7 Å²	36.7	44%	0.442	19%	0.19	S	C	.	.	H	α-helix	trans	-83.6	-32	180	-70.5	-165	72.9	92.8	3.6	113.2	N489 F523 L524 G525 P529	N489-R527 PolarHBondContact OD1-NE 3.23Å; N489-R527 PolarHBondContact OD1-NH2 3.4Å; F523-R527 WeakPolarHBondContact O-CG 3.39Å; F523-R527 PolarHBondContact O-N 2.88Å; L524-R527 PolarHBondContact O-N 3.17Å; G525-R527 VanDerWaalsContact C-N 3.3Å; G525-R527 PolarHBondContact O-N 3.35Å; R527-P529 VanDerWaalsContact O-CD 3.31Å; R527-P529 WeakPolarHBondContact O-CD 3.42Å
528	H	95.6	Very high	95.5	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.069	22%	0.216	C	C	.	.			trans	-120.9	49	-173.1	-49.9	94.3	0	0	0	113.9	T488 V490 I496 L524 T530 L531 V532	T488-H528 PolarHBondContact O-CE1 3.08Å; T488-H528 VanDerWaalsContact O-CE1 3.23Å; V490-H528 PolarHBondContact N-NE2 3.4Å; V490-H528 VanDerWaalsContact N-NE2 3.19Å; I496-H528 HydrophobicContact CD1-CB 3.87Å; I496-H528 HydrophobicContact CG1-CB 4.48Å; L524-H528 PolarHBondContact O-N 3.36Å; L524-H528 VanDerWaalsContact O-N 3.13Å; L524-H528 PolarHBondContact O-ND1 3.11Å; H528-T530 VanDerWaalsContact C-N 3.26Å; H528-T530 PolarHBondContact O-N 2.94Å; H528-L531 HydrophobicContact CB-CB 4.17Å; H528-L531 HydrophobicContact CB-CD1 4.15Å; H528-L531 HydrophobicContact CB-CG 4.39Å; H528-L531 PolarHBondContact O-N 3.27Å; H528-L531 VanDerWaalsContact O-N 3.13Å; H528-V532 WeakPolarHBondContact O-CG2 3.24Å; H528-V532 PolarHBondContact O-N 2.88Å; H528-V532 VanDerWaalsContact O-N 3.1Å
529	P	95.9	Very high	95.3	Very high	20 Å²	20	43 Å²	43	13%	0.13	22%	0.221	C	C	.	.	H	α-helix	trans	-60.5	-35.3	-174.1	26.4	-36	0	0	0	113	R527 V532 L533 A568 C572	R527-P529 VanDerWaalsContact O-CD 3.31Å; R527-P529 WeakPolarHBondContact O-CD 3.42Å; P529-V532 PolarHBondContact O-N 3.37Å; P529-L533 PolarHBondContact O-N 3.1Å; P529-L533 VanDerWaalsContact O-N 3.13Å; P529-A568 HydrophobicContact CB-CB 4.28Å; P529-A568 WeakPolarHBondContact CB-O 3.47Å; P529-C572 HydrophobicContact CB-CB 4.37Å
530	T	95.6	Very high	95.1	Very high	114 Å²	114	38.5 Å²	38.5	70%	0.699	20%	0.202	S	C	*	.	H	α-helix	trans	-70.5	-34.2	179.5	-45.8	0	0	0	0	112.7	H528 P534	H528-T530 VanDerWaalsContact C-N 3.26Å; H528-T530 PolarHBondContact O-N 2.94Å; T530-P534 VanDerWaalsContact O-CD 3.27Å; T530-P534 WeakPolarHBondContact O-CD 3.5Å
531	L	95.4	Very high	94.7	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	23%	0.227	C	C	.	.	H	α-helix	trans	-77.2	-30.1	177.9	-60.9	-179.7	0	0	0	111.8	V490 K493 I496 H528 P534	V490-L531 HydrophobicContact CG2-CD1 4.03Å; K493-L531 WeakPolarHBondContact CB-O 3.2Å; I496-L531 HydrophobicContact CG1-CB 4.03Å; I496-L531 HydrophobicContact CG1-CD1 4.37Å; H528-L531 HydrophobicContact CB-CB 4.17Å; H528-L531 HydrophobicContact CB-CD1 4.15Å; H528-L531 HydrophobicContact CB-CG 4.39Å; H528-L531 PolarHBondContact O-N 3.27Å; H528-L531 VanDerWaalsContact O-N 3.13Å; L531-P534 WeakPolarHBondContact O-CD 3.45Å; L531-P534 WeakPolarHBondContact O-CG 3.3Å
532	V	96.8	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-73.6	-37.4	176.3	175.5	0	0	0	0	111.9	I496 H528 P529 L535 V536 L564 A568 M575	I496-V532 HydrophobicContact CG2-CG2 4.01Å; H528-V532 WeakPolarHBondContact O-CG2 3.24Å; H528-V532 PolarHBondContact O-N 2.88Å; H528-V532 VanDerWaalsContact O-N 3.1Å; P529-V532 PolarHBondContact O-N 3.37Å; V532-L535 WeakPolarHBondContact O-CA 3.44Å; V532-L535 WeakPolarHBondContact O-CB 3.48Å; V532-L535 PolarHBondContact O-N 3.24Å; V532-V536 HydrophobicContact CG1-CG2 4.22Å; V532-V536 PolarHBondContact O-N 3.14Å; V532-L564 HydrophobicContact CG2-CD1 4.3Å; V532-L564 HydrophobicContact CG2-CG 4.42Å; V532-A568 HydrophobicContact CB-CB 3.8Å; V532-A568 HydrophobicContact CG1-CB 3.71Å; V532-A568 HydrophobicContact CG2-CB 4.15Å; V532-M575 HydrophobicContact CG1-CE 4.39Å
533	L	95.3	Very high	93.5	Very high	48 Å²	48	45.4 Å²	45.4	25%	0.251	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-45.5	-51.1	-177.3	179.1	65	0	0	0	115.1	P529 L535 V536 M575 L578	P529-L533 PolarHBondContact O-N 3.1Å; P529-L533 VanDerWaalsContact O-N 3.13Å; L533-L535 PolarHBondContact O-N 3.14Å; L533-V536 PolarHBondContact O-N 3.4Å; L533-M575 HydrophobicContact CB-CE 3.93Å; L533-M575 HydrophobicContact CD1-CB 4.14Å; L533-M575 HydrophobicContact CD1-CE 4.06Å; L533-M575 HydrophobicContact CD1-CG 4.2Å; L533-L578 HydrophobicContact CD1-CD1 3.88Å
534	P	95.1	Very high	92.7	Very high	70 Å²	70	47.4 Å²	47.4	46%	0.455	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.4	-17	179.8	28	-37.1	0	0	0	114.2	K493 T530 L531	K493-P534 HydrophobicContact CB-CG 4.3Å; K493-P534 HydrophobicContact CD-CB 4.21Å; K493-P534 HydrophobicContact CD-CG 3.83Å; T530-P534 VanDerWaalsContact O-CD 3.27Å; T530-P534 WeakPolarHBondContact O-CD 3.5Å; L531-P534 WeakPolarHBondContact O-CD 3.45Å; L531-P534 WeakPolarHBondContact O-CG 3.3Å
535	L	95.4	Very high	92.1	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-86.8	-21.5	179.4	-57.9	175.1	0	0	0	112.3	K493 I496 Q497 V532 L533 P537 E538 L539	K493-L535 HydrophobicContact CB-CD1 4.32Å; K493-L535 HydrophobicContact CB-CD2 4.28Å; K493-L535 HydrophobicContact CB-CG 4.27Å; K493-L535 HydrophobicContact CD-CD2 4.11Å; K493-L535 HydrophobicContact CG-CD2 4.39Å; I496-L535 HydrophobicContact CB-CD1 4.11Å; I496-L535 HydrophobicContact CG2-CD1 3.94Å; Q497-L535 HydrophobicContact CB-CD1 4.28Å; Q497-L535 HydrophobicContact CB-CD2 4.46Å; V532-L535 WeakPolarHBondContact O-CA 3.44Å; V532-L535 WeakPolarHBondContact O-CB 3.48Å; V532-L535 PolarHBondContact O-N 3.24Å; L533-L535 PolarHBondContact O-N 3.14Å; L535-P537 VanDerWaalsContact C-CD 3.5Å; L535-E538 WeakPolarHBondContact O-CB 3.45Å; L535-E538 PolarHBondContact O-N 3.17Å; L535-L539 HydrophobicContact CB-CD1 3.86Å; L535-L539 HydrophobicContact CB-CG 4.04Å; L535-L539 WeakPolarHBondContact O-CG 3.23Å; L535-L539 PolarHBondContact O-N 2.7Å
536	V	94.6	Very high	91.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-51.3	-45.3	-172.3	174.9	0	0	0	0	113.7	V532 L533 E538 L539 L540 V565 M575 L578 F579	V532-V536 HydrophobicContact CG1-CG2 4.22Å; V532-V536 PolarHBondContact O-N 3.14Å; L533-V536 PolarHBondContact O-N 3.4Å; V536-E538 VanDerWaalsContact C-N 3.3Å; V536-E538 PolarHBondContact O-N 3.09Å; V536-L539 PolarHBondContact O-N 3.37Å; V536-L540 HydrophobicContact CG1-CD1 3.63Å; V536-L540 HydrophobicContact CG1-CG 4.11Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 WeakPolarHBondContact O-CG 3.45Å; V536-L540 PolarHBondContact O-N 3.31Å; V536-V565 HydrophobicContact CG1-CG1 4.35Å; V536-V565 HydrophobicContact CG2-CG1 4.33Å; V536-V565 HydrophobicContact CG2-CG2 4.49Å; V536-M575 HydrophobicContact CG2-CE 4.14Å; V536-M575 HydrophobicContact CG2-CG 3.87Å; V536-M575 HydrophobicContact CG2-SD 3.78Å; V536-L578 HydrophobicContact CB-CD1 4.08Å; V536-L578 HydrophobicContact CG1-CB 4.01Å; V536-L578 HydrophobicContact CG1-CD1 4.17Å; V536-F579 HydrophobicContact CG1-CE1 4.32Å
537	P	91.8	Very high	90.4	Very high	48 Å²	48	69.7 Å²	69.7	31%	0.312	36%	0.361	S	S	.	.	H	α-helix	trans	-63.6	-35.6	-179.6	-23.4	35.4	0	0	0	113.7	L535 S541 T542 L578	L535-P537 VanDerWaalsContact C-CD 3.5Å; P537-S541 PolarHBondContact O-N 3.44Å; P537-T542 VanDerWaalsContact CA-OG1 3.24Å; P537-T542 WeakPolarHBondContact CA-OG1 3.36Å; P537-T542 PolarHBondContact O-N 2.64Å; P537-T542 PolarHBondContact O-OG1 2.77Å; P537-L578 HydrophobicContact CG-CD1 4.39Å
538	E	92	Very high	89.7	Confident	117 Å²	117	66.3 Å²	66.3	55%	0.547	35%	0.353	S	S	.	.	H	α-helix	trans	-72.2	-47.3	176.7	-175.4	-179.2	165.6	0	0	110.5	Q497 L535 V536 L540 S541	Q497-E538 PolarHBondContact NE2-OE1 2.89Å; L535-E538 WeakPolarHBondContact O-CB 3.45Å; L535-E538 PolarHBondContact O-N 3.17Å; V536-E538 VanDerWaalsContact C-N 3.3Å; V536-E538 PolarHBondContact O-N 3.09Å; E538-L540 PolarHBondContact O-N 3.31Å; E538-S541 PolarHBondContact O-N 2.8Å
539	L	92.8	Very high	89.2	Confident	33 Å²	33	71.1 Å²	71.1	17%	0.173	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-39.8	-178.5	-66.9	-177.6	0	0	0	113.2	L500 L535 V536 S541 V561 L564 V565	L500-L539 HydrophobicContact CD2-CD1 4.11Å; L500-L539 HydrophobicContact CD2-CD2 3.41Å; L500-L539 VanDerWaalsContact CD2-CD2 3.41Å; L500-L539 HydrophobicContact CD2-CG 4.39Å; L535-L539 HydrophobicContact CB-CD1 3.86Å; L535-L539 HydrophobicContact CB-CG 4.04Å; L535-L539 WeakPolarHBondContact O-CG 3.23Å; L535-L539 PolarHBondContact O-N 2.7Å; V536-L539 PolarHBondContact O-N 3.37Å; L539-S541 VanDerWaalsContact C-N 3.26Å; L539-V561 HydrophobicContact CB-CG1 3.86Å; L539-L564 HydrophobicContact CD1-CD2 4.24Å; L539-V565 HydrophobicContact CD1-CG2 4.37Å
540	L	91.4	Very high	88.9	Confident	4 Å²	4	74.6 Å²	74.6	2%	0.021	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	0.7	176.9	-61.4	-176.5	0	0	0	112.6	V536 E538 T542 L562 V565 F579 T583	V536-L540 HydrophobicContact CG1-CD1 3.63Å; V536-L540 HydrophobicContact CG1-CG 4.11Å; V536-L540 WeakPolarHBondContact O-CB 3.32Å; V536-L540 WeakPolarHBondContact O-CG 3.45Å; V536-L540 PolarHBondContact O-N 3.31Å; E538-L540 PolarHBondContact O-N 3.31Å; L540-T542 HydrophobicContact CB-CG2 3.83Å; L540-T542 PolarHBondContact O-N 3.13Å; L540-L562 HydrophobicContact CD2-CD2 3.87Å; L540-V565 HydrophobicContact CD2-CG2 4.41Å; L540-F579 HydrophobicContact CD1-CD1 3.81Å; L540-F579 HydrophobicContact CD1-CE1 4.19Å; L540-T583 HydrophobicContact CD1-CG2 4.23Å
541	S	88.7	Confident	88.7	Confident	76 Å²	76	71.2 Å²	71.2	53%	0.531	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	42.9	-174.6	-62.4	0	0	0	0	112.3	P537 E538 L539 T548	P537-S541 PolarHBondContact O-N 3.44Å; E538-S541 PolarHBondContact O-N 2.8Å; L539-S541 VanDerWaalsContact C-N 3.26Å; S541-T548 VanDerWaalsContact O-CB 3.29Å; S541-T548 WeakPolarHBondContact O-CB 3.4Å; S541-T548 WeakPolarHBondContact O-CG2 3.45Å; S541-T548 PolarHBondContact O-OG1 3.48Å
542	T	85.4	Confident	88.5	Confident	40 Å²	40	74.2 Å²	74.2	25%	0.245	40%	0.397	C	S	.	.			trans	-85.8	126.6	179.6	56.7	0	0	0	0	110.2	P537 L540	P537-T542 VanDerWaalsContact CA-OG1 3.24Å; P537-T542 WeakPolarHBondContact CA-OG1 3.36Å; P537-T542 PolarHBondContact O-N 2.64Å; P537-T542 PolarHBondContact O-OG1 2.77Å; L540-T542 HydrophobicContact CB-CG2 3.83Å; L540-T542 PolarHBondContact O-N 3.13Å
543	H	83.1	Confident	88.2	Confident	88 Å²	88	75.8 Å²	75.8	41%	0.407	40%	0.404	S	S	.	.			trans	-104.9	136	173.2	-171.7	-90.5	0	0	0	110.5	Y545 F546 T548	H543-Y545 AromaticContact CE1-CD2 3.76Å; H543-Y545 PolarHBondContact ND1-N 2.72Å; H543-Y545 VanDerWaalsContact ND1-N 3.2Å; H543-Y545 PolarHBondContact O-N 3.31Å; H543-F546 HydrophobicContact CB-CB 4.21Å; H543-F546 AromaticContact CE1-CD2 3.27Å; H543-F546 WeakPolarHBondContact CE1-CD2 3.27Å; H543-F546 AromaticContact CE1-CE2 3.77Å; H543-F546 AromaticContact ND1-CD2 3.26Å; H543-F546 VanDerWaalsContact ND1-CD2 3.26Å; H543-F546 WeakPolarHBondContact ND1-CD2 3.38Å; H543-F546 AromaticContact ND1-CG 3.79Å; H543-F546 PolarHBondContact ND1-N 2.94Å; H543-T548 HydrophobicContact CB-CG2 4.44Å
544	P	81.3	Confident	87.8	Confident	111 Å²	111	80 Å²	80	72%	0.721	43%	0.427	S	S	*	.	S	Bend	trans	-59.9	-22.3	-175.9	-26.1	34.2	0	0	0	115.6
545	Y	81.9	Confident	87.7	Confident	201 Å²	201	79.6 Å²	79.6	79%	0.788	42%	0.421	S	S	*	.	S	Bend	trans	-124.7	-11.3	-173.3	-53.1	-73.4	0	0	0	114.7	H543	H543-Y545 AromaticContact CE1-CD2 3.76Å; H543-Y545 PolarHBondContact ND1-N 2.72Å; H543-Y545 VanDerWaalsContact ND1-N 3.2Å; H543-Y545 PolarHBondContact O-N 3.31Å
546	F	80.8	Confident	87.6	Confident	146 Å²	146	81.6 Å²	81.6	64%	0.64	43%	0.434	S	S	*	.	S	Bend	trans	-129.1	135.2	-173.6	-65.6	-60	0	0	0	109.6	H543 T548	H543-F546 HydrophobicContact CB-CB 4.21Å; H543-F546 AromaticContact CE1-CD2 3.27Å; H543-F546 WeakPolarHBondContact CE1-CD2 3.27Å; H543-F546 AromaticContact CE1-CE2 3.77Å; H543-F546 AromaticContact ND1-CD2 3.26Å; H543-F546 VanDerWaalsContact ND1-CD2 3.26Å; H543-F546 WeakPolarHBondContact ND1-CD2 3.38Å; H543-F546 AromaticContact ND1-CG 3.79Å; H543-F546 PolarHBondContact ND1-N 2.94Å; F546-T548 PolarHBondContact O-N 3.32Å
547	D	75.1	Confident	87.6	Confident	173 Å²	173	82.3 Å²	82.3	93%	0.925	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-74.2	117.5	169.2	-65.4	-38.3	0	0	0	108.6
548	T	80.7	Confident	87.8	Confident	45 Å²	45	80.9 Å²	80.9	28%	0.276	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-77.9	150.1	172.7	44.7	0	0	0	0	110.7	S541 H543 F546 E550	S541-T548 VanDerWaalsContact O-CB 3.29Å; S541-T548 WeakPolarHBondContact O-CB 3.4Å; S541-T548 WeakPolarHBondContact O-CG2 3.45Å; S541-T548 PolarHBondContact O-OG1 3.48Å; H543-T548 HydrophobicContact CB-CG2 4.44Å; F546-T548 PolarHBondContact O-N 3.32Å; T548-E550 PolarHBondContact O-N 3.31Å
549	P	84.9	Confident	87.9	Confident	117 Å²	117	76.1 Å²	76.1	76%	0.76	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-58.5	135.9	178.4	24.9	-33.6	0	0	0	110.3	P551	P549-P551 WeakPolarHBondContact O-CD 3.23Å
550	E	89.8	Confident	88.1	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-63.2	122.3	178.6	-174	165.7	173.5	0	0	109.8	T548 H582 R585 H586	T548-E550 PolarHBondContact O-N 3.31Å; E550-H582 HydrophobicContact CG-CB 3.91Å; E550-R585 VanDerWaalsContact CD-NH2 3.3Å; E550-R585 IonicContact OE1-CZ 3.31Å; E550-R585 IonicContact OE1-NH1 2.8Å; E550-R585 PolarHBondContact OE1-NH1 3.42Å; E550-R585 IonicContact OE1-NH2 3.56Å; E550-R585 PolarHBondContact OE1-NH2 2.9Å; E550-R585 VanDerWaalsContact OE1-NH2 3.08Å; E550-R585 IonicContact OE2-CZ 3.09Å; E550-R585 IonicContact OE2-NH1 3.65Å; E550-R585 IonicContact OE2-NH2 2.66Å; E550-R585 PolarHBondContact OE2-NH2 3.31Å; E550-H586 IonicContact OE1-CE1 3.42Å; E550-H586 IonicContact OE1-NE2 3.66Å; E550-H586 PolarHBondContact OE1-NE2 2.95Å; E550-H586 VanDerWaalsContact OE1-NE2 3.08Å
551	P	91.1	Very high	88.4	Confident	43 Å²	43	75 Å²	75	28%	0.279	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.8	154.9	177.3	-21.3	34.4	0	0	0	112.1	P549 Y558	P549-P551 WeakPolarHBondContact O-CD 3.23Å; P551-Y558 HydrophobicContact CB-CD1 3.81Å; P551-Y558 HydrophobicContact CB-CD2 3.75Å; P551-Y558 HydrophobicContact CB-CE1 3.84Å; P551-Y558 HydrophobicContact CB-CE2 3.8Å; P551-Y558 HydrophobicContact CB-CG 3.76Å; P551-Y558 HydrophobicContact CG-CD2 3.99Å; P551-Y558 HydrophobicContact CG-CE1 4.28Å; P551-Y558 HydrophobicContact CG-CE2 3.61Å; P551-Y558 HydrophobicContact CG-CG 4.47Å
552	D	90.1	Very high	88.8	Confident	103 Å²	103	71.3 Å²	71.3	55%	0.551	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-69.3	132.7	177.4	-169	-2.5	0	0	0	111.1	D554 D555 Y558	D552-D554 VanDerWaalsContact C-N 3.28Å; D552-D554 PolarHBondContact OD1-N 3.17Å; D552-D555 HydrophobicContact CB-CB 4.38Å; D552-D555 PolarHBondContact O-N 2.9Å; D552-Y558 WeakPolarHBondContact O-CD1 3.18Å
553	M	91.2	Very high	89.4	Confident	33 Å²	33	69.4 Å²	69.4	16%	0.163	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-13.3	177.7	-78.6	-59.9	-60	0	0	113.2	D555 Y558 I559 L562 H586 Y589 L590	M553-D555 VanDerWaalsContact C-N 3.35Å; M553-Y558 HydrophobicContact SD-CD1 4.16Å; M553-Y558 HydrophobicContact SD-CE1 3.78Å; M553-I559 WeakPolarHBondContact O-CD1 3.49Å; M553-L562 HydrophobicContact SD-CD1 4.25Å; M553-H586 HydrophobicContact CE-CB 4.18Å; M553-H586 WeakPolarHBondContact CG-NE2 3.48Å; M553-H586 HydrophobicContact SD-CB 3.75Å; M553-H586 PolarHBondContact SD-CD2 2.91Å; M553-H586 PolarHBondContact SD-ND1 3.11Å; M553-Y589 HydrophobicContact CE-CD1 3.74Å; M553-Y589 HydrophobicContact CE-CE1 4.22Å; M553-L590 HydrophobicContact CE-CD1 4.05Å; M553-L590 HydrophobicContact CE-CD2 3.71Å; M553-L590 HydrophobicContact CE-CG 3.74Å
554	D	87.8	Confident	90.1	Very high	136 Å²	136	65.2 Å²	65.2	73%	0.727	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.6	173.2	-66.6	-28.7	0	0	0	112.3	D552 P556	D552-D554 VanDerWaalsContact C-N 3.28Å; D552-D554 PolarHBondContact OD1-N 3.17Å; D554-P556 VanDerWaalsContact O-CD 3.28Å; D554-P556 WeakPolarHBondContact O-CD 3.5Å
555	D	92.3	Very high	90.8	Very high	63 Å²	63	60 Å²	60	34%	0.337	31%	0.311	S	S	.	.			trans	-72.4	113.1	176.7	176.1	17.9	0	0	0	111.2	D552 M553 A557 Y558 I559	D552-D555 HydrophobicContact CB-CB 4.38Å; D552-D555 PolarHBondContact O-N 2.9Å; M553-D555 VanDerWaalsContact C-N 3.35Å; D555-A557 PolarHBondContact O-N 3.21Å; D555-A557 WeakPolarHBondContact OD1-CB 3.27Å; D555-A557 PolarHBondContact OD1-N 3.34Å; D555-Y558 PolarHBondContact O-N 2.99Å; D555-Y558 PolarHBondContact OD2-N 3.48Å; D555-I559 WeakPolarHBondContact O-CG1 3.45Å; D555-I559 PolarHBondContact O-N 3.39Å; D555-I559 VanDerWaalsContact O-N 3.12Å
556	P	92.6	Very high	91.5	Very high	43 Å²	43	50.4 Å²	50.4	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-22.8	-178.4	31.5	-38.5	0	0	0	112.9	L507 W518 D554 A560	L507-P556 HydrophobicContact CD2-CB 4.06Å; L507-P556 HydrophobicContact CD2-CG 4.43Å; W518-P556 HydrophobicContact CZ2-CB 4.12Å; W518-P556 PolarHBondContact NE1-O 3.44Å; D554-P556 VanDerWaalsContact O-CD 3.28Å; D554-P556 WeakPolarHBondContact O-CD 3.5Å; P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.03Å; P556-A560 VanDerWaalsContact O-N 3.12Å
557	A	94.8	Very high	92.3	Very high	16 Å²	16	43.8 Å²	43.8	13%	0.132	25%	0.245	C	C	.	.	H	α-helix	trans	-71.9	-44.1	175.2	0	0	0	0	0	111.4	L504 D555 A560 V561	L504-A557 HydrophobicContact CD2-CB 3.8Å; D555-A557 PolarHBondContact O-N 3.21Å; D555-A557 WeakPolarHBondContact OD1-CB 3.27Å; D555-A557 PolarHBondContact OD1-N 3.34Å; A557-A560 VanDerWaalsContact O-CB 3.3Å; A557-A560 WeakPolarHBondContact O-CB 3.23Å; A557-A560 PolarHBondContact O-N 2.93Å; A557-V561 PolarHBondContact O-N 3.46Å; A557-V561 VanDerWaalsContact O-N 3.13Å
558	Y	95.3	Very high	93.3	Very high	17 Å²	17	35.6 Å²	35.6	7%	0.067	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-42.7	174.7	-179.3	-119.7	0	0	0	112.6	P551 D552 M553 D555 A560 V561 L562 H586	P551-Y558 HydrophobicContact CB-CD1 3.81Å; P551-Y558 HydrophobicContact CB-CD2 3.75Å; P551-Y558 HydrophobicContact CB-CE1 3.84Å; P551-Y558 HydrophobicContact CB-CE2 3.8Å; P551-Y558 HydrophobicContact CB-CG 3.76Å; P551-Y558 HydrophobicContact CG-CD2 3.99Å; P551-Y558 HydrophobicContact CG-CE1 4.28Å; P551-Y558 HydrophobicContact CG-CE2 3.61Å; P551-Y558 HydrophobicContact CG-CG 4.47Å; D552-Y558 WeakPolarHBondContact O-CD1 3.18Å; M553-Y558 HydrophobicContact SD-CD1 4.16Å; M553-Y558 HydrophobicContact SD-CE1 3.78Å; D555-Y558 PolarHBondContact O-N 2.99Å; D555-Y558 PolarHBondContact OD2-N 3.48Å; Y558-A560 VanDerWaalsContact C-N 3.25Å; Y558-A560 PolarHBondContact O-N 3.12Å; Y558-V561 WeakPolarHBondContact O-CB 3.47Å; Y558-V561 PolarHBondContact O-N 2.81Å; Y558-V561 VanDerWaalsContact O-N 3.15Å; Y558-L562 HydrophobicContact CD1-CD1 4.05Å; Y558-L562 HydrophobicContact CD1-CG 4.47Å; Y558-L562 HydrophobicContact CE1-CD1 3.49Å; Y558-L562 VanDerWaalsContact CE1-CD1 3.49Å; Y558-L562 HydrophobicContact CE1-CG 4.06Å; Y558-L562 HydrophobicContact CE2-CD1 4.41Å; Y558-L562 HydrophobicContact CE2-CD2 4.14Å; Y558-L562 HydrophobicContact CE2-CG 4.09Å; Y558-L562 PolarHBondContact O-N 3.05Å; Y558-H586 AromaticContact CE1-CE1 3.78Å; Y558-H586 AromaticContact CE1-ND1 3.44Å; Y558-H586 WeakPolarHBondContact CE1-ND1 3.31Å; Y558-H586 AromaticContact CZ-ND1 3.66Å; Y558-H586 PolarHBondContact OH-ND1 2.8Å
559	I	96.1	Very high	93.9	Very high	17 Å²	17	33.7 Å²	33.7	9%	0.087	19%	0.19	C	C	.	.	H	α-helix	trans	-57.2	-42	173.4	-63.6	174.5	0	0	0	110.6	W518 M553 D555 V561 L562 V563 L590 L594	W518-I559 HydrophobicContact CD2-CG2 4.43Å; W518-I559 HydrophobicContact CH2-CD1 4.21Å; W518-I559 HydrophobicContact CH2-CG2 4.23Å; W518-I559 HydrophobicContact CZ2-CB 4.01Å; W518-I559 HydrophobicContact CZ2-CD1 4.04Å; W518-I559 HydrophobicContact CZ2-CG2 3.75Å; M553-I559 WeakPolarHBondContact O-CD1 3.49Å; D555-I559 WeakPolarHBondContact O-CG1 3.45Å; D555-I559 PolarHBondContact O-N 3.39Å; D555-I559 VanDerWaalsContact O-N 3.12Å; I559-V561 VanDerWaalsContact C-N 3.33Å; I559-V561 PolarHBondContact O-N 3.32Å; I559-L562 PolarHBondContact O-N 3.43Å; I559-V563 HydrophobicContact CG2-CG2 4.17Å; I559-V563 VanDerWaalsContact O-CG2 3.3Å; I559-V563 WeakPolarHBondContact O-CG2 3.48Å; I559-V563 PolarHBondContact O-N 3.48Å; I559-L590 HydrophobicContact CG2-CD1 4.47Å; I559-L590 HydrophobicContact CG2-CD2 4.46Å; I559-L594 HydrophobicContact CG2-CD1 4.25Å
560	A	96.9	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-43.4	178.2	0	0	0	0	0	111.9	L504 L521 P556 A557 Y558 V563 L564	L504-A560 HydrophobicContact CD2-CB 3.84Å; L521-A560 HydrophobicContact CD1-CB 3.53Å; P556-A560 WeakPolarHBondContact O-CB 3.47Å; P556-A560 PolarHBondContact O-N 3.03Å; P556-A560 VanDerWaalsContact O-N 3.12Å; A557-A560 VanDerWaalsContact O-CB 3.3Å; A557-A560 WeakPolarHBondContact O-CB 3.23Å; A557-A560 PolarHBondContact O-N 2.93Å; Y558-A560 VanDerWaalsContact C-N 3.25Å; Y558-A560 PolarHBondContact O-N 3.12Å; A560-V563 PolarHBondContact O-N 3.03Å; A560-L564 PolarHBondContact O-N 3.49Å; A560-L564 VanDerWaalsContact O-N 3.13Å
561	V	97.2	Very high	94.5	Very high	13 Å²	13	33.9 Å²	33.9	8%	0.079	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-47.3	174.1	176.2	0	0	0	0	111.4	L500 L504 L539 A557 Y558 I559 V563 L564 V565	L500-V561 HydrophobicContact CD1-CG2 4.45Å; L500-V561 HydrophobicContact CD2-CG2 4.37Å; L504-V561 HydrophobicContact CD1-CG2 4.35Å; L539-V561 HydrophobicContact CB-CG1 3.86Å; A557-V561 PolarHBondContact O-N 3.46Å; A557-V561 VanDerWaalsContact O-N 3.13Å; Y558-V561 WeakPolarHBondContact O-CB 3.47Å; Y558-V561 PolarHBondContact O-N 2.81Å; Y558-V561 VanDerWaalsContact O-N 3.15Å; I559-V561 VanDerWaalsContact C-N 3.33Å; I559-V561 PolarHBondContact O-N 3.32Å; V561-V563 VanDerWaalsContact C-N 3.33Å; V561-V563 PolarHBondContact O-N 3.11Å; V561-L564 WeakPolarHBondContact O-CB 3.29Å; V561-L564 PolarHBondContact O-N 3.16Å; V561-V565 HydrophobicContact CG1-CG2 4.38Å; V561-V565 WeakPolarHBondContact O-CG2 3.27Å; V561-V565 PolarHBondContact O-N 3.24Å
562	L	96.7	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.5	-40.2	178.3	-71.1	-176	0	0	0	112.3	L540 M553 Y558 I559 L564 V565 F566 T583 H586 L590	L540-L562 HydrophobicContact CD2-CD2 3.87Å; M553-L562 HydrophobicContact SD-CD1 4.25Å; Y558-L562 HydrophobicContact CD1-CD1 4.05Å; Y558-L562 HydrophobicContact CD1-CG 4.47Å; Y558-L562 HydrophobicContact CE1-CD1 3.49Å; Y558-L562 VanDerWaalsContact CE1-CD1 3.49Å; Y558-L562 HydrophobicContact CE1-CG 4.06Å; Y558-L562 HydrophobicContact CE2-CD1 4.41Å; Y558-L562 HydrophobicContact CE2-CD2 4.14Å; Y558-L562 HydrophobicContact CE2-CG 4.09Å; Y558-L562 PolarHBondContact O-N 3.05Å; I559-L562 PolarHBondContact O-N 3.43Å; L562-L564 PolarHBondContact O-N 3.27Å; L562-V565 PolarHBondContact O-N 2.7Å; L562-F566 HydrophobicContact CB-CD2 4.2Å; L562-F566 HydrophobicContact CB-CE2 3.79Å; L562-F566 HydrophobicContact CB-CZ 4.33Å; L562-F566 HydrophobicContact CD1-CE2 4.34Å; L562-F566 HydrophobicContact CD2-CE2 4.22Å; L562-F566 HydrophobicContact CD2-CZ 3.88Å; L562-F566 HydrophobicContact CG-CE2 4.36Å; L562-F566 HydrophobicContact CG-CZ 4.5Å; L562-F566 WeakPolarHBondContact O-CB 3.38Å; L562-F566 WeakPolarHBondContact O-CD2 3.23Å; L562-F566 WeakPolarHBondContact O-CG 3.1Å; L562-F566 PolarHBondContact O-N 2.75Å; L562-T583 HydrophobicContact CD2-CG2 4.38Å; L562-H586 HydrophobicContact CD1-CB 3.8Å; L562-L590 HydrophobicContact CB-CD1 4Å; L562-L590 HydrophobicContact CD1-CD1 3.68Å
563	V	97.5	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.8	169.6	0	0	0	0	110.8	K522 I559 A560 V561 N567 L597 V598	K522-V563 HydrophobicContact CB-CG1 3.89Å; I559-V563 HydrophobicContact CG2-CG2 4.17Å; I559-V563 VanDerWaalsContact O-CG2 3.3Å; I559-V563 WeakPolarHBondContact O-CG2 3.48Å; I559-V563 PolarHBondContact O-N 3.48Å; A560-V563 PolarHBondContact O-N 3.03Å; V561-V563 VanDerWaalsContact C-N 3.33Å; V561-V563 PolarHBondContact O-N 3.11Å; V563-N567 WeakPolarHBondContact O-CB 3.43Å; V563-N567 PolarHBondContact O-N 3Å; V563-N567 VanDerWaalsContact O-N 3.15Å; V563-N567 PolarHBondContact O-ND2 3.49Å; V563-L597 HydrophobicContact CG1-CB 4.47Å; V563-L597 HydrophobicContact CG2-CB 4.37Å; V563-V598 HydrophobicContact CG2-CG2 4.39Å
564	L	97.5	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-52.7	175.4	179.1	69.8	0	0	0	111.3	I496 L500 L521 L524 G525 V532 L539 A560 V561 L562 N567 A568	I496-L564 HydrophobicContact CG2-CD2 4.41Å; L500-L564 HydrophobicContact CD1-CD2 4.29Å; L500-L564 HydrophobicContact CD2-CD2 3.95Å; L521-L564 HydrophobicContact CB-CB 4.31Å; L521-L564 HydrophobicContact CD2-CB 4.48Å; L521-L564 HydrophobicContact CD2-CD1 4.25Å; L521-L564 WeakPolarHBondContact O-CD1 3.39Å; L524-L564 HydrophobicContact CB-CD1 4.29Å; L524-L564 HydrophobicContact CD2-CD1 4.49Å; L524-L564 HydrophobicContact CG-CD1 4.48Å; G525-L564 VanDerWaalsContact CA-CD1 3.5Å; V532-L564 HydrophobicContact CG2-CD1 4.3Å; V532-L564 HydrophobicContact CG2-CG 4.42Å; L539-L564 HydrophobicContact CD1-CD2 4.24Å; A560-L564 PolarHBondContact O-N 3.49Å; A560-L564 VanDerWaalsContact O-N 3.13Å; V561-L564 WeakPolarHBondContact O-CB 3.29Å; V561-L564 PolarHBondContact O-N 3.16Å; L562-L564 PolarHBondContact O-N 3.27Å; L564-N567 PolarHBondContact O-N 3.43Å; L564-A568 PolarHBondContact O-N 3.38Å
565	V	97	Very high	94.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-46.2	-175.7	172.9	0	0	0	0	111.5	V536 L539 L540 V561 L562 N567 A568 A569 M575 F579	V536-V565 HydrophobicContact CG1-CG1 4.35Å; V536-V565 HydrophobicContact CG2-CG1 4.33Å; V536-V565 HydrophobicContact CG2-CG2 4.49Å; L539-V565 HydrophobicContact CD1-CG2 4.37Å; L540-V565 HydrophobicContact CD2-CG2 4.41Å; V561-V565 HydrophobicContact CG1-CG2 4.38Å; V561-V565 WeakPolarHBondContact O-CG2 3.27Å; V561-V565 PolarHBondContact O-N 3.24Å; L562-V565 PolarHBondContact O-N 2.7Å; V565-N567 VanDerWaalsContact C-N 3.33Å; V565-N567 PolarHBondContact O-N 2.99Å; V565-A568 PolarHBondContact O-N 2.79Å; V565-A569 WeakPolarHBondContact O-CB 3.47Å; V565-A569 PolarHBondContact O-N 3.25Å; V565-M575 HydrophobicContact CG1-SD 4.14Å; V565-F579 HydrophobicContact CG1-CE1 3.53Å; V565-F579 HydrophobicContact CG1-CZ 3.79Å
566	F	96.6	Very high	94.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-33.2	-180	-63	-31.9	0	0	0	112.8	L562 A569 K570 F579 T583 Y587 L590 V598 P599 L601	L562-F566 HydrophobicContact CB-CD2 4.2Å; L562-F566 HydrophobicContact CB-CE2 3.79Å; L562-F566 HydrophobicContact CB-CZ 4.33Å; L562-F566 HydrophobicContact CD1-CE2 4.34Å; L562-F566 HydrophobicContact CD2-CE2 4.22Å; L562-F566 HydrophobicContact CD2-CZ 3.88Å; L562-F566 HydrophobicContact CG-CE2 4.36Å; L562-F566 HydrophobicContact CG-CZ 4.5Å; L562-F566 WeakPolarHBondContact O-CB 3.38Å; L562-F566 WeakPolarHBondContact O-CD2 3.23Å; L562-F566 WeakPolarHBondContact O-CG 3.1Å; L562-F566 PolarHBondContact O-N 2.75Å; F566-A569 PolarHBondContact O-N 3.46Å; F566-K570 PolarHBondContact O-N 3.08Å; F566-F579 HydrophobicContact CD1-CE2 4.08Å; F566-F579 HydrophobicContact CD1-CZ 4.07Å; F566-F579 AromaticContact CE1-CE2 3.94Å; F566-F579 HydrophobicContact CE1-CE2 3.94Å; F566-F579 HydrophobicContact CE1-CZ 4.15Å; F566-T583 HydrophobicContact CE1-CG2 3.81Å; F566-T583 HydrophobicContact CZ-CG2 4.01Å; F566-Y587 AromaticContact CD1-CD2 3.93Å; F566-Y587 HydrophobicContact CD1-CD2 3.93Å; F566-Y587 AromaticContact CD2-CD2 3.89Å; F566-Y587 HydrophobicContact CD2-CD2 3.89Å; F566-Y587 HydrophobicContact CE1-CD2 4.07Å; F566-Y587 HydrophobicContact CE1-CG 4.4Å; F566-Y587 HydrophobicContact CE2-CD2 4.01Å; F566-Y587 AromaticContact CG-CD2 3.86Å; F566-Y587 HydrophobicContact CG-CD2 3.86Å; F566-Y587 HydrophobicContact CZ-CD2 4.11Å; F566-Y587 HydrophobicContact CZ-CG 4.32Å; F566-L590 HydrophobicContact CE2-CD1 4.25Å; F566-V598 HydrophobicContact CB-CG1 4.16Å; F566-V598 HydrophobicContact CD2-CG1 3.89Å; F566-V598 HydrophobicContact CD2-CG2 4.38Å; F566-V598 HydrophobicContact CG-CG1 4.35Å; F566-P599 WeakPolarHBondContact O-CG 3.17Å; F566-L601 HydrophobicContact CB-CD1 4.32Å; F566-L601 HydrophobicContact CD1-CD1 4.03Å; F566-L601 HydrophobicContact CG-CD1 4.45Å
567	N	96.6	Very high	94.1	Very high	8 Å²	8	28.7 Å²	28.7	4%	0.043	18%	0.178	C	C	.	.	H	α-helix	trans	-70.7	-35.1	174.4	-79.9	-81.5	0	0	0	112.7	K522 V563 L564 V565 L597 P599	K522-N567 WeakPolarHBondContact CG-OD1 3.37Å; K522-N567 WeakPolarHBondContact O-CB 3.47Å; V563-N567 WeakPolarHBondContact O-CB 3.43Å; V563-N567 PolarHBondContact O-N 3Å; V563-N567 VanDerWaalsContact O-N 3.15Å; V563-N567 PolarHBondContact O-ND2 3.49Å; L564-N567 PolarHBondContact O-N 3.43Å; V565-N567 VanDerWaalsContact C-N 3.33Å; V565-N567 PolarHBondContact O-N 2.99Å; N567-L597 PolarHBondContact ND2-O 3.2Å; N567-P599 WeakPolarHBondContact OD1-CD 3.48Å
568	A	96.1	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.5	-41.1	171.3	0	0	0	0	0	112.5	G525 P529 V532 L564 V565 K570 S571 C572 M575	G525-A568 WeakPolarHBondContact O-CA 3.37Å; P529-A568 HydrophobicContact CB-CB 4.28Å; P529-A568 WeakPolarHBondContact CB-O 3.47Å; V532-A568 HydrophobicContact CB-CB 3.8Å; V532-A568 HydrophobicContact CG1-CB 3.71Å; V532-A568 HydrophobicContact CG2-CB 4.15Å; L564-A568 PolarHBondContact O-N 3.38Å; V565-A568 PolarHBondContact O-N 2.79Å; A568-K570 PolarHBondContact O-N 2.97Å; A568-S571 PolarHBondContact O-N 3.24Å; A568-C572 PolarHBondContact O-N 3.48Å; A568-M575 HydrophobicContact CB-CE 3.72Å; A568-M575 HydrophobicContact CB-SD 3.92Å
569	A	95	Very high	93.7	Very high	6 Å²	6	31 Å²	31	5%	0.05	19%	0.189	C	C	.	.	H	α-helix	trans	-62.1	-24.8	-178.7	0	0	0	0	0	113.4	V565 F566 S571 C572 M575 F579 L601	V565-A569 WeakPolarHBondContact O-CB 3.47Å; V565-A569 PolarHBondContact O-N 3.25Å; F566-A569 PolarHBondContact O-N 3.46Å; A569-S571 PolarHBondContact O-N 3.28Å; A569-C572 CarbonylContact O-C 3.54Å; A569-C572 PolarHBondContact O-N 2.92Å; A569-M575 HydrophobicContact CB-CB 4.1Å; A569-M575 HydrophobicContact CB-CG 4.21Å; A569-M575 HydrophobicContact CB-SD 3.79Å; A569-F579 HydrophobicContact CB-CZ 4Å; A569-L601 HydrophobicContact CB-CD1 3.98Å; A569-L601 HydrophobicContact CB-CD2 4.01Å
570	K	93.6	Very high	93.3	Very high	135 Å²	135	31.5 Å²	31.5	59%	0.587	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.6	176.5	-174.1	-173.8	179.2	-176.5	0	112.3	F566 A568 P599 L601	F566-K570 PolarHBondContact O-N 3.08Å; A568-K570 PolarHBondContact O-N 2.97Å; K570-P599 HydrophobicContact CB-CG 4.16Å; K570-P599 HydrophobicContact CD-CB 3.92Å; K570-P599 HydrophobicContact CD-CG 4.36Å; K570-P599 HydrophobicContact CG-CB 4.43Å; K570-L601 HydrophobicContact CB-CD2 4.04Å
571	S	92.4	Very high	92.8	Very high	78 Å²	78	37.2 Å²	37.2	55%	0.545	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-2	-177.8	-58.3	0	0	0	0	112.8	A568 A569	A568-S571 PolarHBondContact O-N 3.24Å; A569-S571 PolarHBondContact O-N 3.28Å
572	C	90.8	Very high	92.5	Very high	13 Å²	13	37.6 Å²	37.6	9%	0.088	23%	0.225	C	C	.	.			trans	-125.4	91.6	-176.8	-166.9	0	0	0	0	110.9	P529 A568 A569 T574 M575	P529-C572 HydrophobicContact CB-CB 4.37Å; A568-C572 PolarHBondContact O-N 3.48Å; A569-C572 CarbonylContact O-C 3.54Å; A569-C572 PolarHBondContact O-N 2.92Å; C572-T574 PolarHBondContact O-N 2.95Å; C572-T574 VanDerWaalsContact O-N 3.17Å; C572-T574 PolarHBondContact SG-OG1 3.5Å; C572-T574 VanDerWaalsContact SG-OG1 3.39Å; C572-M575 HydrophobicContact CB-CB 4.16Å; C572-M575 HydrophobicContact CB-CE 3.84Å; C572-M575 VanDerWaalsContact O-CB 3.32Å; C572-M575 WeakPolarHBondContact O-CB 3.49Å; C572-M575 PolarHBondContact O-N 3.45Å; C572-M575 VanDerWaalsContact O-N 3.11Å
573	P	83.8	Confident	92.3	Very high	120 Å²	120	37.6 Å²	37.6	78%	0.779	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-14.7	-172.6	28.3	-35.6	0	0	0	114.2	P576	P573-P576 WeakPolarHBondContact O-CD 3.38Å
574	T	89.4	Confident	92	Very high	85 Å²	85	40 Å²	40	52%	0.521	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.9	175.4	49.7	0	0	0	0	112.8	C572 A577	C572-T574 PolarHBondContact O-N 2.95Å; C572-T574 VanDerWaalsContact O-N 3.17Å; C572-T574 PolarHBondContact SG-OG1 3.5Å; C572-T574 VanDerWaalsContact SG-OG1 3.39Å; T574-A577 WeakPolarHBondContact O-CB 3.48Å; T574-A577 PolarHBondContact O-N 3.49Å
575	M	92.8	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-63.8	-40.1	-175.5	-162.1	173.8	-68.6	0	0	113.8	V532 L533 V536 V565 A568 A569 C572 A577 L578 F579	V532-M575 HydrophobicContact CG1-CE 4.39Å; L533-M575 HydrophobicContact CB-CE 3.93Å; L533-M575 HydrophobicContact CD1-CB 4.14Å; L533-M575 HydrophobicContact CD1-CE 4.06Å; L533-M575 HydrophobicContact CD1-CG 4.2Å; V536-M575 HydrophobicContact CG2-CE 4.14Å; V536-M575 HydrophobicContact CG2-CG 3.87Å; V536-M575 HydrophobicContact CG2-SD 3.78Å; V565-M575 HydrophobicContact CG1-SD 4.14Å; A568-M575 HydrophobicContact CB-CE 3.72Å; A568-M575 HydrophobicContact CB-SD 3.92Å; A569-M575 HydrophobicContact CB-CB 4.1Å; A569-M575 HydrophobicContact CB-CG 4.21Å; A569-M575 HydrophobicContact CB-SD 3.79Å; C572-M575 HydrophobicContact CB-CB 4.16Å; C572-M575 HydrophobicContact CB-CE 3.84Å; C572-M575 VanDerWaalsContact O-CB 3.32Å; C572-M575 WeakPolarHBondContact O-CB 3.49Å; C572-M575 PolarHBondContact O-N 3.45Å; C572-M575 VanDerWaalsContact O-N 3.11Å; M575-A577 PolarHBondContact O-N 3.21Å; M575-A577 VanDerWaalsContact O-N 3.09Å; M575-L578 WeakPolarHBondContact O-CB 3.3Å; M575-L578 PolarHBondContact O-N 3.41Å; M575-F579 HydrophobicContact CG-CE1 4.03Å; M575-F579 HydrophobicContact CG-CZ 4.32Å
576	P	90.8	Very high	91.6	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.045	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-59.8	-20	175.6	-26	36.1	0	0	0	114.9	P573 L578 F579 F584 L603	P573-P576 WeakPolarHBondContact O-CD 3.38Å; P576-L578 PolarHBondContact O-N 3.24Å; P576-F579 HydrophobicContact CB-CD2 4.21Å; P576-F579 HydrophobicContact CB-CE2 4.27Å; P576-F579 HydrophobicContact CG-CE2 4.41Å; P576-F579 PolarHBondContact O-N 3.36Å; P576-F584 HydrophobicContact CB-CE1 4.48Å; P576-F584 WeakPolarHBondContact O-CZ 3.39Å; P576-L603 HydrophobicContact CB-CD2 4Å; P576-L603 HydrophobicContact CG-CD2 4.08Å
577	A	89.6	Confident	91.4	Very high	87 Å²	87	46.6 Å²	46.6	72%	0.719	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-69.9	-14.7	175	0	0	0	0	0	112.9	T574 M575	T574-A577 WeakPolarHBondContact O-CB 3.48Å; T574-A577 PolarHBondContact O-N 3.49Å; M575-A577 PolarHBondContact O-N 3.21Å; M575-A577 VanDerWaalsContact O-N 3.09Å
578	L	89.8	Confident	91.2	Very high	65 Å²	65	47.4 Å²	47.4	34%	0.34	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-93.9	-2.1	177.3	-54.5	177.1	0	0	0	112.6	L533 V536 P537 M575 P576	L533-L578 HydrophobicContact CD1-CD1 3.88Å; V536-L578 HydrophobicContact CB-CD1 4.08Å; V536-L578 HydrophobicContact CG1-CB 4.01Å; V536-L578 HydrophobicContact CG1-CD1 4.17Å; P537-L578 HydrophobicContact CG-CD1 4.39Å; M575-L578 WeakPolarHBondContact O-CB 3.3Å; M575-L578 PolarHBondContact O-N 3.41Å; P576-L578 PolarHBondContact O-N 3.24Å
579	F	91	Very high	91.1	Very high	18 Å²	18	54.1 Å²	54.1	8%	0.079	30%	0.295	C	S	.	.			trans	-83.2	138.5	-175.6	-66.5	-5.5	0	0	0	111.7	V536 L540 V565 F566 A569 M575 P576 T583 F584 L601	V536-F579 HydrophobicContact CG1-CE1 4.32Å; L540-F579 HydrophobicContact CD1-CD1 3.81Å; L540-F579 HydrophobicContact CD1-CE1 4.19Å; V565-F579 HydrophobicContact CG1-CE1 3.53Å; V565-F579 HydrophobicContact CG1-CZ 3.79Å; F566-F579 HydrophobicContact CD1-CE2 4.08Å; F566-F579 HydrophobicContact CD1-CZ 4.07Å; F566-F579 AromaticContact CE1-CE2 3.94Å; F566-F579 HydrophobicContact CE1-CE2 3.94Å; F566-F579 HydrophobicContact CE1-CZ 4.15Å; A569-F579 HydrophobicContact CB-CZ 4Å; M575-F579 HydrophobicContact CG-CE1 4.03Å; M575-F579 HydrophobicContact CG-CZ 4.32Å; P576-F579 HydrophobicContact CB-CD2 4.21Å; P576-F579 HydrophobicContact CB-CE2 4.27Å; P576-F579 HydrophobicContact CG-CE2 4.41Å; P576-F579 PolarHBondContact O-N 3.36Å; F579-T583 HydrophobicContact CB-CG2 3.95Å; F579-T583 HydrophobicContact CD1-CG2 4.06Å; F579-T583 HydrophobicContact CD2-CG2 3.98Å; F579-T583 HydrophobicContact CG-CG2 3.73Å; F579-F584 HydrophobicContact CB-CD2 4.26Å; F579-F584 HydrophobicContact CB-CE1 4.21Å; F579-F584 HydrophobicContact CB-CE2 3.73Å; F579-F584 HydrophobicContact CB-CZ 3.71Å; F579-F584 HydrophobicContact CD2-CD1 4.3Å; F579-F584 AromaticContact CD2-CE1 3.94Å; F579-F584 HydrophobicContact CD2-CE1 3.94Å; F579-F584 HydrophobicContact CD2-CZ 4.25Å; F579-F584 HydrophobicContact CG-CZ 4.47Å; F579-L601 HydrophobicContact CE2-CD1 4.44Å
580	S	88.4	Confident	91	Very high	27 Å²	27	53.9 Å²	53.9	19%	0.189	29%	0.293	C	S	.	.			trans	-74.4	165.1	167.2	62.5	0	0	0	0	111.4	H582 T583 F584	S580-H582 VanDerWaalsContact C-N 3.33Å; S580-H582 PolarHBondContact O-N 3.05Å; S580-H582 PolarHBondContact OG-CD2 2.95Å; S580-H582 PolarHBondContact OG-CE1 2.96Å; S580-H582 PolarHBondContact OG-ND1 3.43Å; S580-H582 PolarHBondContact OG-NE2 3.41Å; S580-T583 WeakPolarHBondContact O-CB 3.34Å; S580-T583 PolarHBondContact O-N 2.94Å; S580-T583 VanDerWaalsContact O-N 3.1Å; S580-T583 WeakPolarHBondContact OG-CB 3.17Å; S580-T583 PolarHBondContact OG-N 3.34Å; S580-T583 PolarHBondContact OG-OG1 3.34Å; S580-F584 WeakPolarHBondContact O-CD2 3.49Å; S580-F584 PolarHBondContact O-N 3.14Å
581	D	86.9	Confident	91	Very high	120 Å²	120	51.2 Å²	51.2	64%	0.642	28%	0.279	S	S	*	.	H	α-helix	trans	-58.4	-43	177.3	-173.2	65.3	0	0	0	112.7	T583 F584 R585	D581-T583 VanDerWaalsContact C-N 3.3Å; D581-T583 PolarHBondContact O-N 2.99Å; D581-F584 PolarHBondContact O-N 3.3Å; D581-R585 PolarHBondContact O-N 3.24Å; D581-R585 IonicContact OD2-NE 3.99Å
582	H	89.9	Confident	90.8	Very high	20 Å²	20	54.1 Å²	54.1	9%	0.093	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-34.7	176.2	61.2	-105.2	0	0	0	112.2	E550 S580 F584 R585 H586	E550-H582 HydrophobicContact CG-CB 3.91Å; S580-H582 VanDerWaalsContact C-N 3.33Å; S580-H582 PolarHBondContact O-N 3.05Å; S580-H582 PolarHBondContact OG-CD2 2.95Å; S580-H582 PolarHBondContact OG-CE1 2.96Å; S580-H582 PolarHBondContact OG-ND1 3.43Å; S580-H582 PolarHBondContact OG-NE2 3.41Å; H582-F584 VanDerWaalsContact C-N 3.27Å; H582-F584 PolarHBondContact O-N 3.43Å; H582-R585 WeakPolarHBondContact O-CA 3.19Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 3.04Å; H582-H586 WeakPolarHBondContact O-CB 3.31Å; H582-H586 PolarHBondContact O-CD2 3.49Å; H582-H586 PolarHBondContact O-N 2.98Å
583	T	92.3	Very high	90.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.3	-36.9	177	-59.5	0	0	0	0	111.5	L540 L562 F566 F579 S580 D581 H586 Y587	L540-T583 HydrophobicContact CD1-CG2 4.23Å; L562-T583 HydrophobicContact CD2-CG2 4.38Å; F566-T583 HydrophobicContact CE1-CG2 3.81Å; F566-T583 HydrophobicContact CZ-CG2 4.01Å; F579-T583 HydrophobicContact CB-CG2 3.95Å; F579-T583 HydrophobicContact CD1-CG2 4.06Å; F579-T583 HydrophobicContact CD2-CG2 3.98Å; F579-T583 HydrophobicContact CG-CG2 3.73Å; S580-T583 WeakPolarHBondContact O-CB 3.34Å; S580-T583 PolarHBondContact O-N 2.94Å; S580-T583 VanDerWaalsContact O-N 3.1Å; S580-T583 WeakPolarHBondContact OG-CB 3.17Å; S580-T583 PolarHBondContact OG-N 3.34Å; S580-T583 PolarHBondContact OG-OG1 3.34Å; D581-T583 VanDerWaalsContact C-N 3.3Å; D581-T583 PolarHBondContact O-N 2.99Å; T583-H586 PolarHBondContact O-N 2.85Å; T583-Y587 WeakPolarHBondContact O-CB 3.34Å; T583-Y587 PolarHBondContact O-N 3.44Å
584	F	91.5	Very high	91.1	Very high	50 Å²	50	52.1 Å²	52.1	22%	0.219	28%	0.275	C	S	.	.	H	α-helix	trans	-68.7	-34.8	174.1	-67.9	-71.9	0	0	0	113	P576 F579 S580 D581 H582 A588 L603	P576-F584 HydrophobicContact CB-CE1 4.48Å; P576-F584 WeakPolarHBondContact O-CZ 3.39Å; F579-F584 HydrophobicContact CB-CD2 4.26Å; F579-F584 HydrophobicContact CB-CE1 4.21Å; F579-F584 HydrophobicContact CB-CE2 3.73Å; F579-F584 HydrophobicContact CB-CZ 3.71Å; F579-F584 HydrophobicContact CD2-CD1 4.3Å; F579-F584 AromaticContact CD2-CE1 3.94Å; F579-F584 HydrophobicContact CD2-CE1 3.94Å; F579-F584 HydrophobicContact CD2-CZ 4.25Å; F579-F584 HydrophobicContact CG-CZ 4.47Å; S580-F584 WeakPolarHBondContact O-CD2 3.49Å; S580-F584 PolarHBondContact O-N 3.14Å; D581-F584 PolarHBondContact O-N 3.3Å; H582-F584 VanDerWaalsContact C-N 3.27Å; H582-F584 PolarHBondContact O-N 3.43Å; F584-A588 PolarHBondContact O-N 3.1Å; F584-L603 HydrophobicContact CD1-CD1 3.97Å; F584-L603 HydrophobicContact CD1-CD2 4.2Å; F584-L603 HydrophobicContact CE1-CB 4.42Å; F584-L603 HydrophobicContact CE1-CD1 4.39Å; F584-L603 HydrophobicContact CE1-CD2 3.89Å; F584-L603 HydrophobicContact CE1-CG 4.44Å
585	R	91.4	Very high	91.2	Very high	111 Å²	111	51.3 Å²	51.3	42%	0.419	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-46.9	173.2	-67.8	-170.9	-77.7	107.7	-8.6	111	E550 D581 H582 Y587 A588 Y589	E550-R585 VanDerWaalsContact CD-NH2 3.3Å; E550-R585 IonicContact OE1-CZ 3.31Å; E550-R585 IonicContact OE1-NH1 2.8Å; E550-R585 PolarHBondContact OE1-NH1 3.42Å; E550-R585 IonicContact OE1-NH2 3.56Å; E550-R585 PolarHBondContact OE1-NH2 2.9Å; E550-R585 VanDerWaalsContact OE1-NH2 3.08Å; E550-R585 IonicContact OE2-CZ 3.09Å; E550-R585 IonicContact OE2-NH1 3.65Å; E550-R585 IonicContact OE2-NH2 2.66Å; E550-R585 PolarHBondContact OE2-NH2 3.31Å; D581-R585 PolarHBondContact O-N 3.24Å; D581-R585 IonicContact OD2-NE 3.99Å; H582-R585 WeakPolarHBondContact O-CA 3.19Å; H582-R585 WeakPolarHBondContact O-CB 3.41Å; H582-R585 PolarHBondContact O-N 3.04Å; R585-Y587 VanDerWaalsContact C-N 3.32Å; R585-Y587 PolarHBondContact O-N 3.23Å; R585-A588 PolarHBondContact O-N 3.11Å; R585-A588 VanDerWaalsContact O-N 3.16Å; R585-Y589 PolarHBondContact O-N 2.86Å
586	H	94.3	Very high	91.1	Very high	8 Å²	8	57 Å²	57	4%	0.037	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-40.9	176.6	-61.9	171.9	0	0	0	111.6	E550 M553 Y558 L562 H582 T583 A588 Y589 L590	E550-H586 IonicContact OE1-CE1 3.42Å; E550-H586 IonicContact OE1-NE2 3.66Å; E550-H586 PolarHBondContact OE1-NE2 2.95Å; E550-H586 VanDerWaalsContact OE1-NE2 3.08Å; M553-H586 HydrophobicContact CE-CB 4.18Å; M553-H586 WeakPolarHBondContact CG-NE2 3.48Å; M553-H586 HydrophobicContact SD-CB 3.75Å; M553-H586 PolarHBondContact SD-CD2 2.91Å; M553-H586 PolarHBondContact SD-ND1 3.11Å; Y558-H586 AromaticContact CE1-CE1 3.78Å; Y558-H586 AromaticContact CE1-ND1 3.44Å; Y558-H586 WeakPolarHBondContact CE1-ND1 3.31Å; Y558-H586 AromaticContact CZ-ND1 3.66Å; Y558-H586 PolarHBondContact OH-ND1 2.8Å; L562-H586 HydrophobicContact CD1-CB 3.8Å; H582-H586 WeakPolarHBondContact O-CB 3.31Å; H582-H586 PolarHBondContact O-CD2 3.49Å; H582-H586 PolarHBondContact O-N 2.98Å; T583-H586 PolarHBondContact O-N 2.85Å; H586-A588 PolarHBondContact O-N 3.45Å; H586-Y589 PolarHBondContact O-N 3.47Å; H586-L590 WeakPolarHBondContact O-CB 3.36Å; H586-L590 WeakPolarHBondContact O-CG 3.27Å; H586-L590 PolarHBondContact O-N 3.04Å
587	Y	94.1	Very high	91.3	Very high	20 Å²	20	57.2 Å²	57.2	8%	0.078	30%	0.3	C	S	.	.	H	α-helix	trans	-55.9	-49.9	172.1	172.3	-102.3	0	0	0	112	F566 T583 R585 Y589 L590 R591 V598 P599 P600 L601 L603	F566-Y587 AromaticContact CD1-CD2 3.93Å; F566-Y587 HydrophobicContact CD1-CD2 3.93Å; F566-Y587 AromaticContact CD2-CD2 3.89Å; F566-Y587 HydrophobicContact CD2-CD2 3.89Å; F566-Y587 HydrophobicContact CE1-CD2 4.07Å; F566-Y587 HydrophobicContact CE1-CG 4.4Å; F566-Y587 HydrophobicContact CE2-CD2 4.01Å; F566-Y587 AromaticContact CG-CD2 3.86Å; F566-Y587 HydrophobicContact CG-CD2 3.86Å; F566-Y587 HydrophobicContact CZ-CD2 4.11Å; F566-Y587 HydrophobicContact CZ-CG 4.32Å; T583-Y587 WeakPolarHBondContact O-CB 3.34Å; T583-Y587 PolarHBondContact O-N 3.44Å; R585-Y587 VanDerWaalsContact C-N 3.32Å; R585-Y587 PolarHBondContact O-N 3.23Å; Y587-Y589 VanDerWaalsContact C-N 3.35Å; Y587-Y589 PolarHBondContact O-N 3.24Å; Y587-L590 PolarHBondContact O-N 3.15Å; Y587-R591 HydrophobicContact CE1-CB 4.49Å; Y587-R591 HydrophobicContact CE2-CB 4.43Å; Y587-R591 WeakPolarHBondContact O-CB 3.34Å; Y587-R591 PolarHBondContact O-N 3.04Å; Y587-V598 HydrophobicContact CD2-CG1 3.9Å; Y587-V598 HydrophobicContact CE2-CG1 3.63Å; Y587-P599 WeakPolarHBondContact CE2-O 3.47Å; Y587-P599 PolarHBondContact OH-O 2.99Å; Y587-P600 VanDerWaalsContact OH-CA 3.31Å; Y587-P600 WeakPolarHBondContact OH-CA 3.37Å; Y587-L601 HydrophobicContact CD2-CD1 3.81Å; Y587-L601 HydrophobicContact CD2-CG 4.38Å; Y587-L601 HydrophobicContact CE1-CB 4.46Å; Y587-L601 HydrophobicContact CE2-CB 4.14Å; Y587-L601 HydrophobicContact CE2-CD1 3.53Å; Y587-L601 HydrophobicContact CE2-CG 3.6Å; Y587-L601 PolarHBondContact OH-N 3.41Å; Y587-L603 HydrophobicContact CD1-CD1 3.61Å; Y587-L603 HydrophobicContact CE1-CD1 3.71Å; Y587-L603 HydrophobicContact CG-CD1 4.49Å
588	A	91.8	Very high	91.6	Very high	26 Å²	26	53.1 Å²	53.1	22%	0.215	27%	0.266	C	S	.	.	H	α-helix	trans	-61.5	-45.1	-179	0	0	0	0	0	111.3	F584 R585 H586 R591 D592	F584-A588 PolarHBondContact O-N 3.1Å; R585-A588 PolarHBondContact O-N 3.11Å; R585-A588 VanDerWaalsContact O-N 3.16Å; H586-A588 PolarHBondContact O-N 3.45Å; A588-R591 PolarHBondContact O-N 3.02Å; A588-D592 PolarHBondContact O-N 3.01Å
589	Y	92.9	Very high	91.8	Very high	140 Å²	140	50.6 Å²	50.6	55%	0.549	25%	0.254	S	S	.	.	H	α-helix	trans	-61.4	-51.5	176.8	177.1	-102.8	0	0	0	112.5	M553 R585 H586 Y587 R591 D592 S593	M553-Y589 HydrophobicContact CE-CD1 3.74Å; M553-Y589 HydrophobicContact CE-CE1 4.22Å; R585-Y589 PolarHBondContact O-N 2.86Å; H586-Y589 PolarHBondContact O-N 3.47Å; Y587-Y589 VanDerWaalsContact C-N 3.35Å; Y587-Y589 PolarHBondContact O-N 3.24Å; Y589-R591 VanDerWaalsContact C-N 3.29Å; Y589-R591 PolarHBondContact O-N 2.75Å; Y589-D592 PolarHBondContact O-N 3.32Å; Y589-S593 PolarHBondContact O-N 3.32Å; Y589-S593 PolarHBondContact O-OG 3.48Å
590	L	93.8	Very high	91.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-69.2	-27.6	-178.8	-65.8	179.9	0	0	0	112.8	M553 I559 L562 F566 H586 Y587 D592 S593 L594 V598	M553-L590 HydrophobicContact CE-CD1 4.05Å; M553-L590 HydrophobicContact CE-CD2 3.71Å; M553-L590 HydrophobicContact CE-CG 3.74Å; I559-L590 HydrophobicContact CG2-CD1 4.47Å; I559-L590 HydrophobicContact CG2-CD2 4.46Å; L562-L590 HydrophobicContact CB-CD1 4Å; L562-L590 HydrophobicContact CD1-CD1 3.68Å; F566-L590 HydrophobicContact CE2-CD1 4.25Å; H586-L590 WeakPolarHBondContact O-CB 3.36Å; H586-L590 WeakPolarHBondContact O-CG 3.27Å; H586-L590 PolarHBondContact O-N 3.04Å; Y587-L590 PolarHBondContact O-N 3.15Å; L590-D592 VanDerWaalsContact C-N 3.32Å; L590-S593 WeakPolarHBondContact CA-OG 3.29Å; L590-L594 HydrophobicContact CD2-CD1 4.03Å; L590-L594 CarbonylContact O-C 3.55Å; L590-L594 VanDerWaalsContact O-C 3.29Å; L590-L594 VanDerWaalsContact O-CA 3.27Å; L590-L594 WeakPolarHBondContact O-CA 3.44Å; L590-L594 WeakPolarHBondContact O-CB 3.48Å; L590-L594 PolarHBondContact O-N 2.74Å; L590-V598 HydrophobicContact CB-CG2 3.92Å
591	R	93.1	Very high	91.9	Very high	78 Å²	78	52.7 Å²	52.7	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-66.4	-37.7	174.1	175.9	60.7	-163.3	134.8	13.6	111.4	Y587 A588 Y589 S595 V598	Y587-R591 HydrophobicContact CE1-CB 4.49Å; Y587-R591 HydrophobicContact CE2-CB 4.43Å; Y587-R591 WeakPolarHBondContact O-CB 3.34Å; Y587-R591 PolarHBondContact O-N 3.04Å; A588-R591 PolarHBondContact O-N 3.02Å; Y589-R591 VanDerWaalsContact C-N 3.29Å; Y589-R591 PolarHBondContact O-N 2.75Å; R591-S595 VanDerWaalsContact NH1-CA 3.33Å; R591-S595 PolarHBondContact NH1-O 3.46Å; R591-S595 WeakPolarHBondContact O-CA 3.13Å; R591-S595 VanDerWaalsContact O-CB 3.3Å; R591-S595 WeakPolarHBondContact O-CB 3.5Å; R591-V598 HydrophobicContact CB-CG1 4.32Å; R591-V598 WeakPolarHBondContact CD-O 3.34Å; R591-V598 PolarHBondContact NH1-O 3.37Å
592	D	89.4	Confident	91.7	Very high	140 Å²	140	58.5 Å²	58.5	75%	0.749	28%	0.28	S	S	*	.	H	α-helix	trans	-78.5	-41.8	178.6	-70.7	-11.5	0	0	0	111.6	A588 Y589 L590	A588-D592 PolarHBondContact O-N 3.01Å; Y589-D592 PolarHBondContact O-N 3.32Å; L590-D592 VanDerWaalsContact C-N 3.32Å
593	S	90.3	Very high	91.2	Very high	59 Å²	59	59 Å²	59	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-82.8	-38.4	-177.6	62.7	0	0	0	0	114.3	Y589 L590	Y589-S593 PolarHBondContact O-N 3.32Å; Y589-S593 PolarHBondContact O-OG 3.48Å; L590-S593 WeakPolarHBondContact CA-OG 3.29Å
594	L	90.1	Very high	89.9	Confident	32 Å²	32	63.8 Å²	63.8	17%	0.168	32%	0.315	C	S	.	.			trans	-123.6	48.8	-174.8	-61.1	177.5	0	0	0	111.8	W518 I559 L590 H596 L597 V598	W518-L594 HydrophobicContact CZ3-CD1 4.2Å; I559-L594 HydrophobicContact CG2-CD1 4.25Å; L590-L594 HydrophobicContact CD2-CD1 4.03Å; L590-L594 CarbonylContact O-C 3.55Å; L590-L594 VanDerWaalsContact O-C 3.29Å; L590-L594 VanDerWaalsContact O-CA 3.27Å; L590-L594 WeakPolarHBondContact O-CA 3.44Å; L590-L594 WeakPolarHBondContact O-CB 3.48Å; L590-L594 PolarHBondContact O-N 2.74Å; L594-H596 PolarHBondContact O-N 3.12Å; L594-L597 HydrophobicContact CB-CB 4.41Å; L594-L597 HydrophobicContact CB-CD1 4.44Å; L594-L597 HydrophobicContact CD1-CD1 4.31Å; L594-L597 PolarHBondContact O-N 3.15Å; L594-V598 PolarHBondContact O-N 3Å
595	S	91.4	Very high	88.3	Confident	67 Å²	67	65.6 Å²	65.6	47%	0.469	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.5	-176.3	66.8	0	0	0	0	115.3	R591	R591-S595 VanDerWaalsContact NH1-CA 3.33Å; R591-S595 PolarHBondContact NH1-O 3.46Å; R591-S595 WeakPolarHBondContact O-CA 3.13Å; R591-S595 VanDerWaalsContact O-CB 3.3Å; R591-S595 WeakPolarHBondContact O-CB 3.5Å
596	H	90.7	Very high	86.5	Confident	121 Å²	121	68 Å²	68	56%	0.56	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.2	176.2	65.3	-76.9	0	0	0	113.3	K522 L594	K522-H596 PolarHBondContact NZ-O 2.92Å; L594-H596 PolarHBondContact O-N 3.12Å
597	L	94.4	Very high	84	Confident	10 Å²	10	76.7 Å²	76.7	5%	0.052	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-36.7	176	-65.6	172.1	0	0	0	112.2	W518 K522 V563 N567 L594	W518-L597 HydrophobicContact CB-CD1 3.92Å; W518-L597 HydrophobicContact CB-CD2 4.37Å; W518-L597 HydrophobicContact CD2-CD1 4.35Å; W518-L597 HydrophobicContact CE3-CD1 3.75Å; W518-L597 HydrophobicContact CG-CD1 4.49Å; K522-L597 HydrophobicContact CD-CD2 4.31Å; V563-L597 HydrophobicContact CG1-CB 4.47Å; V563-L597 HydrophobicContact CG2-CB 4.37Å; N567-L597 PolarHBondContact ND2-O 3.2Å; L594-L597 HydrophobicContact CB-CB 4.41Å; L594-L597 HydrophobicContact CB-CD1 4.44Å; L594-L597 HydrophobicContact CD1-CD1 4.31Å; L594-L597 PolarHBondContact O-N 3.15Å
598	V	95.5	Very high	81.5	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.006	42%	0.424	C	S	.	.	S	Bend	trans	-103.3	119.5	-174	-179.1	0	0	0	0	111.8	V563 F566 Y587 L590 R591 L594	V563-V598 HydrophobicContact CG2-CG2 4.39Å; F566-V598 HydrophobicContact CB-CG1 4.16Å; F566-V598 HydrophobicContact CD2-CG1 3.89Å; F566-V598 HydrophobicContact CD2-CG2 4.38Å; F566-V598 HydrophobicContact CG-CG1 4.35Å; Y587-V598 HydrophobicContact CD2-CG1 3.9Å; Y587-V598 HydrophobicContact CE2-CG1 3.63Å; L590-V598 HydrophobicContact CB-CG2 3.92Å; R591-V598 HydrophobicContact CB-CG1 4.32Å; R591-V598 WeakPolarHBondContact CD-O 3.34Å; R591-V598 PolarHBondContact NH1-O 3.37Å; L594-V598 PolarHBondContact O-N 3Å
599	P	93.9	Very high	78.8	Confident	13 Å²	13	88 Å²	88	8%	0.084	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-79	161.3	-177.5	31.8	-34.9	0	0	0	113.2	F566 N567 K570 Y587 L601	F566-P599 WeakPolarHBondContact O-CG 3.17Å; N567-P599 WeakPolarHBondContact OD1-CD 3.48Å; K570-P599 HydrophobicContact CB-CG 4.16Å; K570-P599 HydrophobicContact CD-CB 3.92Å; K570-P599 HydrophobicContact CD-CG 4.36Å; K570-P599 HydrophobicContact CG-CB 4.43Å; Y587-P599 WeakPolarHBondContact CE2-O 3.47Å; Y587-P599 PolarHBondContact OH-O 2.99Å; P599-L601 HydrophobicContact CG-CD2 4.42Å; P599-L601 PolarHBondContact O-N 2.95Å
600	P	91.9	Very high	76.2	Confident	79 Å²	79	91.3 Å²	91.3	51%	0.513	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-67.9	128.7	168.2	28.6	-33.3	0	0	0	110.9	Y587	Y587-P600 VanDerWaalsContact OH-CA 3.31Å; Y587-P600 WeakPolarHBondContact OH-CA 3.37Å
601	L	89.4	Confident	73.2	Confident	10 Å²	10	96.3 Å²	96.3	5%	0.052	50%	0.5	C	S	.	.			trans	-111.2	149	179.2	-62.5	-176.9	0	0	0	111.1	F566 A569 K570 F579 Y587 P599 L603	F566-L601 HydrophobicContact CB-CD1 4.32Å; F566-L601 HydrophobicContact CD1-CD1 4.03Å; F566-L601 HydrophobicContact CG-CD1 4.45Å; A569-L601 HydrophobicContact CB-CD1 3.98Å; A569-L601 HydrophobicContact CB-CD2 4.01Å; K570-L601 HydrophobicContact CB-CD2 4.04Å; F579-L601 HydrophobicContact CE2-CD1 4.44Å; Y587-L601 HydrophobicContact CD2-CD1 3.81Å; Y587-L601 HydrophobicContact CD2-CG 4.38Å; Y587-L601 HydrophobicContact CE1-CB 4.46Å; Y587-L601 HydrophobicContact CE2-CB 4.14Å; Y587-L601 HydrophobicContact CE2-CD1 3.53Å; Y587-L601 HydrophobicContact CE2-CG 3.6Å; Y587-L601 PolarHBondContact OH-N 3.41Å; P599-L601 HydrophobicContact CG-CD2 4.42Å; P599-L601 PolarHBondContact O-N 2.95Å; L601-L603 HydrophobicContact CB-CD2 3.84Å; L601-L603 HydrophobicContact CB-CG 4.09Å; L601-L603 HydrophobicContact CD1-CD2 4.2Å; L601-L603 PolarHBondContact O-N 2.93Å
602	R	82.8	Confident	70.3	Confident	241 Å²	241	101 Å²	101	91%	0.909	53%	0.531	S	S	*	.			trans	-92.8	91.6	172.1	-67.2	-174.8	178	175.4	-0	109
603	L	80.1	Confident	67.6	Low	30 Å²	30	101.4 Å²	101.4	16%	0.157	53%	0.533	C	S	.	.			trans	-93	134	-176.1	-54.2	170.7	0	0	0	110.9	P576 F584 Y587 L601	P576-L603 HydrophobicContact CB-CD2 4Å; P576-L603 HydrophobicContact CG-CD2 4.08Å; F584-L603 HydrophobicContact CD1-CD1 3.97Å; F584-L603 HydrophobicContact CD1-CD2 4.2Å; F584-L603 HydrophobicContact CE1-CB 4.42Å; F584-L603 HydrophobicContact CE1-CD1 4.39Å; F584-L603 HydrophobicContact CE1-CD2 3.89Å; F584-L603 HydrophobicContact CE1-CG 4.44Å; Y587-L603 HydrophobicContact CD1-CD1 3.61Å; Y587-L603 HydrophobicContact CE1-CD1 3.71Å; Y587-L603 HydrophobicContact CG-CD1 4.49Å; L601-L603 HydrophobicContact CB-CD2 3.84Å; L601-L603 HydrophobicContact CB-CG 4.09Å; L601-L603 HydrophobicContact CD1-CD2 4.2Å; L601-L603 PolarHBondContact O-N 2.93Å
604	P	65.3	Low	64.8	Low	101 Å²	101	103.4 Å²	103.4	66%	0.656	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	134.2	176.6	25.8	-30.9	0	0	0	111
605	G	57.8	Low	62.4	Low	89 Å²	89	109 Å²	109	92%	0.918	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.2	-13.2	171.2	0	0	0	0	0	117.1
606	R	52.6	Low	59.5	Low	160 Å²	160	112.3 Å²	112.3	60%	0.604	59%	0.594	S	S	*	*			trans	-101.9	103.1	170.7	-110.4	179.3	176.5	179.8	-1.1	109.9	Q608	R606-Q608 PolarHBondContact O-N 2.97Å; R606-Q608 VanDerWaalsContact O-N 3.14Å
607	K	41.8	Very low	57	Low	191 Å²	191	112.4 Å²	112.4	83%	0.83	61%	0.609	S	S	*	*			trans	-56.3	118.7	160.5	-70.6	-179.2	178.7	179.1	0	106.5	V609	K607-V609 PolarHBondContact O-N 3.47Å
608	Q	41.5	Very low	54.1	Low	151 Å²	151	114.5 Å²	114.5	71%	0.706	63%	0.632	S	S	*	*			trans	-54.8	108.5	166.6	-84.6	167.5	-11.2	0	0	107.4	R606 Y610	R606-Q608 PolarHBondContact O-N 2.97Å; R606-Q608 VanDerWaalsContact O-N 3.14Å; Q608-Y610 PolarHBondContact O-N 3.06Å
609	V	35.7	Very low	51.2	Low	132 Å²	132	120.9 Å²	120.9	80%	0.8	68%	0.675	S	S	*	*			trans	-81.8	7.6	172.1	176.7	0	0	0	0	110.8	K607	K607-V609 PolarHBondContact O-N 3.47Å
610	Y	37.6	Very low	48.7	Very low	211 Å²	211	122.9 Å²	122.9	83%	0.827	70%	0.698	S	S	*	*	S	Bend	trans	-107.4	109.4	168.8	-73.7	-79.1	0	0	0	109.8	Q608	Q608-Y610 PolarHBondContact O-N 3.06Å
611	S	30.7	Very low	46.5	Very low	106 Å²	106	122.9 Å²	122.9	74%	0.741	70%	0.701	S	S	*	*			trans	25.2	99.8	168	-69.6	0	0	0	0	117.1	D613	S611-D613 PolarHBondContact O-N 3.36Å
612	L	34	Very low	44.9	Very low	178 Å²	178	124.8 Å²	124.8	93%	0.932	72%	0.723	S	S	*	*			trans	-63.1	87.8	143.7	-167.4	81.8	0	0	0	107.7
613	D	32.2	Very low	44.3	Very low	148 Å²	148	116.9 Å²	116.9	79%	0.791	70%	0.704	S	S	*	*			trans	-128.2	140	149	-95.1	-28.3	0	0	0	108.9	S611	S611-D613 PolarHBondContact O-N 3.36Å
614	S	32	Very low	44.3	Very low	101 Å²	101	116.9 Å²	116.9	71%	0.706	71%	0.705	S	S	*	*			trans	-57.5	155.4	-159.9	45.9	0	0	0	0	116.1	D616	S614-D616 VanDerWaalsContact C-N 3.28Å; S614-D616 PolarHBondContact O-N 3.45Å
615	V	37.9	Very low	45.2	Very low	148 Å²	148	116.4 Å²	116.4	90%	0.897	69%	0.694	S	S	*	*	S	Bend	trans	-53.3	89.2	155.6	-169.5	0	0	0	0	109.4
616	D	30.8	Very low	46.7	Very low	138 Å²	138	115.4 Å²	115.4	74%	0.738	67%	0.673	S	S	*	*	S	Bend	trans	-170.5	123.7	145.4	-115.5	-23.1	0	0	0	109.2	S614	S614-D616 VanDerWaalsContact C-N 3.28Å; S614-D616 PolarHBondContact O-N 3.45Å
617	S	39.7	Very low	48.4	Very low	123 Å²	123	108.5 Å²	108.5	86%	0.86	65%	0.65	S	S	*	*	S	Bend	trans	16.6	111.4	154.1	-49.7	0	0	0	0	118.8
618	G	33.8	Very low	50.6	Low	53 Å²	53	103.6 Å²	103.6	55%	0.546	63%	0.629	S	S	.	*			trans	137	2.8	150.5	0	0	0	0	0	120.9	G620 S621	G618-G620 VanDerWaalsContact C-N 3.26Å; G618-G620 PolarHBondContact O-N 2.97Å; G618-G620 VanDerWaalsContact O-N 3.13Å; G618-S621 PolarHBondContact O-N 3.45Å; G618-S621 VanDerWaalsContact O-N 3.08Å
619	C	33.2	Very low	52.9	Low	135 Å²	135	100.3 Å²	100.3	91%	0.912	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-5	-171.6	-161.1	0	0	0	0	116.3
620	G	42.2	Very low	55.6	Low	55 Å²	55	97.6 Å²	97.6	57%	0.567	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-26.4	167.4	0	0	0	0	0	113.7	G618 V624	G618-G620 VanDerWaalsContact C-N 3.26Å; G618-G620 PolarHBondContact O-N 2.97Å; G618-G620 VanDerWaalsContact O-N 3.13Å; G620-V624 WeakPolarHBondContact O-CG2 3.39Å
621	S	46.3	Very low	58.1	Low	80 Å²	80	87.8 Å²	87.8	56%	0.559	56%	0.555	S	S	*	*	H	α-helix	trans	-75.7	-34.9	-168.6	173	0	0	0	0	113.1	G618 S623 E625	G618-S621 PolarHBondContact O-N 3.45Å; G618-S621 VanDerWaalsContact O-N 3.08Å; S621-S623 PolarHBondContact O-N 2.93Å; S621-E625 WeakPolarHBondContact O-CB 3.45Å; S621-E625 PolarHBondContact O-N 2.92Å
622	G	55	Low	60.9	Low	50 Å²	50	87.3 Å²	87.3	52%	0.515	54%	0.541	S	S	.	.	H	α-helix	trans	-67.1	-35.8	-178.6	0	0	0	0	0	114.5	S626	G622-S626 WeakPolarHBondContact O-CB 3.47Å; G622-S626 PolarHBondContact O-N 3.31Å; G622-S626 PolarHBondContact O-OG 2.82Å
623	S	69.6	Low	63.6	Low	74 Å²	74	84.5 Å²	84.5	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-73.6	-39.8	178.2	-171	0	0	0	0	112.3	S621 S626 A627	S621-S623 PolarHBondContact O-N 2.93Å; S623-S626 WeakPolarHBondContact CA-OG 3.4Å; S623-S626 PolarHBondContact O-OG 3.39Å; S623-A627 WeakPolarHBondContact O-CB 3.33Å; S623-A627 PolarHBondContact O-N 2.97Å; S623-A627 VanDerWaalsContact O-N 3.12Å
624	V	80.9	Confident	66.4	Low	30 Å²	30	77.5 Å²	77.5	18%	0.182	49%	0.486	C	S	.	.	H	α-helix	trans	-70	-43.7	-179.9	-176.8	0	0	0	0	110.2	G620 A627 K628 E669	G620-V624 WeakPolarHBondContact O-CG2 3.39Å; V624-A627 PolarHBondContact O-N 3.27Å; V624-K628 WeakPolarHBondContact O-CB 3.34Å; V624-K628 PolarHBondContact O-N 3.44Å; V624-E669 WeakPolarHBondContact CG1-OE2 3.49Å; V624-E669 WeakPolarHBondContact CG2-OE2 3.49Å
625	E	84.8	Confident	69.1	Low	92 Å²	92	73.8 Å²	73.8	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-68.2	-40.5	-177.9	-169.1	59.1	-151.7	0	0	111.7	S621 A627 K628 L629	S621-E625 WeakPolarHBondContact O-CB 3.45Å; S621-E625 PolarHBondContact O-N 2.92Å; E625-A627 PolarHBondContact O-N 2.79Å; E625-K628 WeakPolarHBondContact O-CB 3.31Å; E625-K628 PolarHBondContact O-N 3.45Å; E625-L629 WeakPolarHBondContact O-CG 3.5Å; E625-L629 PolarHBondContact O-N 2.79Å
626	S	87.6	Confident	71.5	Confident	68 Å²	68	71.2 Å²	71.2	48%	0.476	44%	0.439	S	S	.	.	H	α-helix	trans	-63.3	-39.9	172.9	52.2	0	0	0	0	112.4	G622 S623 K628 L629 F630	G622-S626 WeakPolarHBondContact O-CB 3.47Å; G622-S626 PolarHBondContact O-N 3.31Å; G622-S626 PolarHBondContact O-OG 2.82Å; S623-S626 WeakPolarHBondContact CA-OG 3.4Å; S623-S626 PolarHBondContact O-OG 3.39Å; S626-K628 VanDerWaalsContact C-N 3.34Å; S626-K628 PolarHBondContact O-N 2.99Å; S626-L629 PolarHBondContact O-N 3.42Å; S626-F630 PolarHBondContact O-N 3.04Å
627	A	88.6	Confident	74.2	Confident	14 Å²	14	69.7 Å²	69.7	12%	0.116	42%	0.423	C	S	.	.	H	α-helix	trans	-63.9	-38	173.9	0	0	0	0	0	112.4	S623 V624 E625 F630 L631 L663 Q667 L670	S623-A627 WeakPolarHBondContact O-CB 3.33Å; S623-A627 PolarHBondContact O-N 2.97Å; S623-A627 VanDerWaalsContact O-N 3.12Å; V624-A627 PolarHBondContact O-N 3.27Å; E625-A627 PolarHBondContact O-N 2.79Å; A627-F630 PolarHBondContact O-N 3.18Å; A627-L631 PolarHBondContact O-N 2.95Å; A627-L663 HydrophobicContact CB-CD1 4.19Å; A627-Q667 HydrophobicContact CB-CG 4.4Å; A627-L670 HydrophobicContact CB-CD1 3.66Å
628	K	88.3	Confident	76.5	Confident	89 Å²	89	64.2 Å²	64.2	39%	0.387	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-43.6	175	-172.5	-178.7	-179.9	-177.2	0	112	V624 E625 S626 F630 L631 Q632 L670	V624-K628 WeakPolarHBondContact O-CB 3.34Å; V624-K628 PolarHBondContact O-N 3.44Å; E625-K628 WeakPolarHBondContact O-CB 3.31Å; E625-K628 PolarHBondContact O-N 3.45Å; S626-K628 VanDerWaalsContact C-N 3.34Å; S626-K628 PolarHBondContact O-N 2.99Å; K628-F630 VanDerWaalsContact C-N 3.35Å; K628-L631 WeakPolarHBondContact O-CB 3.44Å; K628-L631 PolarHBondContact O-N 3.4Å; K628-Q632 WeakPolarHBondContact O-CG 3.43Å; K628-Q632 PolarHBondContact O-N 3.35Å; K628-L670 HydrophobicContact CB-CD1 4.25Å
629	L	90.1	Very high	78.7	Confident	81 Å²	81	64.2 Å²	64.2	42%	0.424	38%	0.376	S	S	.	.	H	α-helix	trans	-62	-42.3	174.1	-72.2	172.6	0	0	0	111.6	E625 S626 L631 Q632 Q633	E625-L629 WeakPolarHBondContact O-CG 3.5Å; E625-L629 PolarHBondContact O-N 2.79Å; S626-L629 PolarHBondContact O-N 3.42Å; L629-L631 PolarHBondContact O-N 3.08Å; L629-Q632 PolarHBondContact O-N 3.23Å; L629-Q633 WeakPolarHBondContact O-CB 3.44Å; L629-Q633 VanDerWaalsContact O-CG 3.28Å; L629-Q633 WeakPolarHBondContact O-CG 3.5Å; L629-Q633 PolarHBondContact O-N 3.49Å
630	F	92	Very high	81.1	Confident	75 Å²	75	61 Å²	61	33%	0.329	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-41	176	178.6	-89.9	0	0	0	112.5	S626 A627 K628 Q633 S634 D659 L663	S626-F630 PolarHBondContact O-N 3.04Å; A627-F630 PolarHBondContact O-N 3.18Å; K628-F630 VanDerWaalsContact C-N 3.35Å; F630-Q633 PolarHBondContact O-N 3.23Å; F630-S634 WeakPolarHBondContact O-CB 3.22Å; F630-S634 PolarHBondContact O-N 3.44Å; F630-S634 PolarHBondContact O-OG 3.23Å; F630-D659 HydrophobicContact CE1-CB 4.36Å; F630-D659 HydrophobicContact CZ-CB 4.26Å; F630-L663 HydrophobicContact CD1-CD1 3.75Å; F630-L663 HydrophobicContact CE1-CD1 4.32Å
631	L	90.3	Very high	82.9	Confident	6 Å²	6	59 Å²	59	3%	0.031	33%	0.328	C	S	.	.	H	α-helix	trans	-58.8	-49.6	174	174.4	61.7	0	0	0	110.9	A627 K628 L629 S634 L635 L660 L663 A673 L830	A627-L631 PolarHBondContact O-N 2.95Å; K628-L631 WeakPolarHBondContact O-CB 3.44Å; K628-L631 PolarHBondContact O-N 3.4Å; L629-L631 PolarHBondContact O-N 3.08Å; L631-S634 WeakPolarHBondContact O-CB 3.45Å; L631-S634 PolarHBondContact O-N 3.37Å; L631-L635 HydrophobicContact CD1-CD1 4.49Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.48Å; L631-L660 HydrophobicContact CD1-CD2 3.29Å; L631-L663 HydrophobicContact CB-CD2 4.16Å; L631-L663 HydrophobicContact CD1-CD2 4.47Å; L631-A673 HydrophobicContact CD2-CB 4.13Å; L631-L830 HydrophobicContact CD2-CD1 3.91Å; L631-L830 HydrophobicContact CG-CD1 4.18Å
632	Q	89.7	Confident	84.1	Confident	96 Å²	96	62.1 Å²	62.1	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-62	-44.9	178.2	-71.1	-179.9	-8	0	0	112.4	K628 L629 S634 L635 N636	K628-Q632 WeakPolarHBondContact O-CG 3.43Å; K628-Q632 PolarHBondContact O-N 3.35Å; L629-Q632 PolarHBondContact O-N 3.23Å; Q632-S634 VanDerWaalsContact C-N 3.29Å; Q632-S634 PolarHBondContact O-N 2.71Å; Q632-L635 PolarHBondContact O-N 2.87Å; Q632-N636 WeakPolarHBondContact O-CB 3.31Å; Q632-N636 VanDerWaalsContact O-CG 3.3Å; Q632-N636 PolarHBondContact O-N 2.9Å; Q632-N636 PolarHBondContact O-ND2 3.3Å
633	Q	90.8	Very high	85.2	Confident	118 Å²	118	66.4 Å²	66.4	55%	0.551	35%	0.345	S	S	*	.	H	α-helix	trans	-61.5	-38.5	175.9	-73.2	175.8	-0.6	0	0	111.6	L629 F630 N636 R637	L629-Q633 WeakPolarHBondContact O-CB 3.44Å; L629-Q633 VanDerWaalsContact O-CG 3.28Å; L629-Q633 WeakPolarHBondContact O-CG 3.5Å; L629-Q633 PolarHBondContact O-N 3.49Å; F630-Q633 PolarHBondContact O-N 3.23Å; Q633-N636 PolarHBondContact O-N 2.91Å; Q633-R637 VanDerWaalsContact O-CG 3.31Å; Q633-R637 WeakPolarHBondContact O-CG 3.49Å; Q633-R637 PolarHBondContact O-N 3.05Å
634	S	91.3	Very high	85.6	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.007	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-43.3	176.8	-62.9	0	0	0	0	112.2	F630 L631 Q632 R637 V638	F630-S634 WeakPolarHBondContact O-CB 3.22Å; F630-S634 PolarHBondContact O-N 3.44Å; F630-S634 PolarHBondContact O-OG 3.23Å; L631-S634 WeakPolarHBondContact O-CB 3.45Å; L631-S634 PolarHBondContact O-N 3.37Å; Q632-S634 VanDerWaalsContact C-N 3.29Å; Q632-S634 PolarHBondContact O-N 2.71Å; S634-R637 PolarHBondContact O-N 3.37Å; S634-R637 PolarHBondContact OG-NH2 3.42Å; S634-V638 WeakPolarHBondContact O-CG2 3.37Å; S634-V638 PolarHBondContact O-N 2.91Å
635	L	89	Confident	85.5	Confident	23 Å²	23	73 Å²	73	12%	0.12	37%	0.368	C	S	.	.	H	α-helix	trans	-68.3	-36.9	175.3	-65.1	178.1	0	0	0	112.9	L631 Q632 R637 V638 S639 C677 L830	L631-L635 HydrophobicContact CD1-CD1 4.49Å; L631-L635 WeakPolarHBondContact O-CG 3.32Å; L631-L635 PolarHBondContact O-N 3.48Å; Q632-L635 PolarHBondContact O-N 2.87Å; L635-R637 VanDerWaalsContact C-N 3.32Å; L635-R637 PolarHBondContact O-N 3.27Å; L635-V638 WeakPolarHBondContact O-CB 3.45Å; L635-V638 PolarHBondContact O-N 3.25Å; L635-S639 PolarHBondContact O-N 2.85Å; L635-C677 HydrophobicContact CD2-CB 4.13Å; L635-L830 HydrophobicContact CD1-CD1 3.41Å; L635-L830 VanDerWaalsContact CD1-CD1 3.41Å; L635-L830 HydrophobicContact CD1-CG 3.79Å
636	N	87.8	Confident	85.1	Confident	94 Å²	94	71.8 Å²	71.8	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-66.9	-32.3	174.3	-72.9	-20.9	0	0	0	112.1	Q632 Q633 V638 S639	Q632-N636 WeakPolarHBondContact O-CB 3.31Å; Q632-N636 VanDerWaalsContact O-CG 3.3Å; Q632-N636 PolarHBondContact O-N 2.9Å; Q632-N636 PolarHBondContact O-ND2 3.3Å; Q633-N636 PolarHBondContact O-N 2.91Å; N636-V638 VanDerWaalsContact C-N 3.32Å; N636-S639 PolarHBondContact O-N 2.99Å; N636-S639 PolarHBondContact O-OG 3.33Å
637	R	88	Confident	84.9	Confident	107 Å²	107	72.1 Å²	72.1	40%	0.404	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-35	171.6	-74	-178.4	-63.5	162.6	3.3	112.1	Q633 S634 L635 S639 T640	Q633-R637 VanDerWaalsContact O-CG 3.31Å; Q633-R637 WeakPolarHBondContact O-CG 3.49Å; Q633-R637 PolarHBondContact O-N 3.05Å; S634-R637 PolarHBondContact O-N 3.37Å; S634-R637 PolarHBondContact OG-NH2 3.42Å; L635-R637 VanDerWaalsContact C-N 3.32Å; L635-R637 PolarHBondContact O-N 3.27Å; R637-S639 VanDerWaalsContact C-N 3.27Å; R637-S639 PolarHBondContact O-N 3.01Å; R637-T640 PolarHBondContact O-N 3.29Å; R637-T640 PolarHBondContact O-OG1 3Å
638	V	87.1	Confident	84.8	Confident	8 Å²	8	73 Å²	73	5%	0.048	38%	0.379	C	S	.	.	H	α-helix	trans	-67.9	-27.3	177.1	172.9	0	0	0	0	111.8	S634 L635 N636 T640 I641 L653 T656 L681 L825	S634-V638 WeakPolarHBondContact O-CG2 3.37Å; S634-V638 PolarHBondContact O-N 2.91Å; L635-V638 WeakPolarHBondContact O-CB 3.45Å; L635-V638 PolarHBondContact O-N 3.25Å; N636-V638 VanDerWaalsContact C-N 3.32Å; V638-T640 PolarHBondContact O-N 3.5Å; V638-I641 HydrophobicContact CB-CD1 4.42Å; V638-I641 HydrophobicContact CG1-CD1 3.62Å; V638-I641 HydrophobicContact CG1-CG1 4.5Å; V638-I641 VanDerWaalsContact O-CB 3.27Å; V638-I641 WeakPolarHBondContact O-CB 3.24Å; V638-I641 WeakPolarHBondContact O-CD1 3.35Å; V638-I641 WeakPolarHBondContact O-CG1 3.32Å; V638-I641 PolarHBondContact O-N 3.41Å; V638-I641 VanDerWaalsContact O-N 3.11Å; V638-L653 HydrophobicContact CG1-CD2 4.11Å; V638-T656 HydrophobicContact CG2-CG2 3.86Å; V638-L681 HydrophobicContact CG1-CD2 3.72Å; V638-L681 HydrophobicContact CG2-CD1 4.05Å; V638-L681 HydrophobicContact CG2-CD2 4.49Å; V638-L825 HydrophobicContact CG1-CD2 4.26Å
639	S	81	Confident	84.6	Confident	53 Å²	53	69 Å²	69	37%	0.371	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-64.4	-22.1	179.2	76.8	0	0	0	0	113.2	L635 N636 R637 I641	L635-S639 PolarHBondContact O-N 2.85Å; N636-S639 PolarHBondContact O-N 2.99Å; N636-S639 PolarHBondContact O-OG 3.33Å; R637-S639 VanDerWaalsContact C-N 3.27Å; R637-S639 PolarHBondContact O-N 3.01Å; S639-I641 PolarHBondContact O-N 3.47Å
640	T	82.1	Confident	84.6	Confident	67 Å²	67	67.1 Å²	67.1	41%	0.411	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-79.6	2.4	177.1	65.6	0	0	0	0	113.9	R637 V638 Q642 N643	R637-T640 PolarHBondContact O-N 3.29Å; R637-T640 PolarHBondContact O-OG1 3Å; V638-T640 PolarHBondContact O-N 3.5Å; T640-Q642 PolarHBondContact O-N 2.97Å; T640-N643 PolarHBondContact O-N 2.94Å; T640-N643 VanDerWaalsContact O-N 3.09Å
641	I	80.7	Confident	84.5	Confident	13 Å²	13	67.5 Å²	67.5	7%	0.067	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-55.9	-34.5	-179.3	-83.8	175.5	0	0	0	112.9	V638 S639 N643 L644 A649 L652 L653	V638-I641 HydrophobicContact CB-CD1 4.42Å; V638-I641 HydrophobicContact CG1-CD1 3.62Å; V638-I641 HydrophobicContact CG1-CG1 4.5Å; V638-I641 VanDerWaalsContact O-CB 3.27Å; V638-I641 WeakPolarHBondContact O-CB 3.24Å; V638-I641 WeakPolarHBondContact O-CD1 3.35Å; V638-I641 WeakPolarHBondContact O-CG1 3.32Å; V638-I641 PolarHBondContact O-N 3.41Å; V638-I641 VanDerWaalsContact O-N 3.11Å; S639-I641 PolarHBondContact O-N 3.47Å; I641-N643 PolarHBondContact O-N 3.34Å; I641-N643 VanDerWaalsContact O-N 3.09Å; I641-L644 PolarHBondContact O-N 2.92Å; I641-L644 VanDerWaalsContact O-N 3.1Å; I641-A649 HydrophobicContact CG2-CB 4.07Å; I641-L652 HydrophobicContact CG1-CD2 3.85Å; I641-L653 HydrophobicContact CD1-CD1 4.1Å; I641-L653 HydrophobicContact CD1-CD2 3.5Å; I641-L653 HydrophobicContact CD1-CG 3.59Å
642	Q	72.7	Confident	84.5	Confident	145 Å²	145	68.9 Å²	68.9	68%	0.678	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-62.3	-19.2	-178.8	-62.9	-177.1	-3.6	0	0	113	T640	T640-Q642 PolarHBondContact O-N 2.97Å
643	N	77.3	Confident	84.6	Confident	141 Å²	141	64.3 Å²	64.3	75%	0.754	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-96.7	-1.1	-178.9	-59.3	-30.6	0	0	0	113.5	T640 I641	T640-N643 PolarHBondContact O-N 2.94Å; T640-N643 VanDerWaalsContact O-N 3.09Å; I641-N643 PolarHBondContact O-N 3.34Å; I641-N643 VanDerWaalsContact O-N 3.09Å
644	L	78.8	Confident	84.7	Confident	81 Å²	81	61.6 Å²	61.6	42%	0.424	33%	0.331	S	S	.	.	S	Bend	trans	-103.7	150	-175.2	-66.8	174.9	0	0	0	111.7	I641 A649 L652	I641-L644 PolarHBondContact O-N 2.92Å; I641-L644 VanDerWaalsContact O-N 3.1Å; L644-A649 HydrophobicContact CB-CB 4.33Å; L644-L652 HydrophobicContact CD1-CD2 3.75Å
645	E	78.6	Confident	84.8	Confident	160 Å²	160	66.5 Å²	66.5	75%	0.748	35%	0.352	S	S	*	.			trans	-63.5	148.4	166.1	-65.3	-173.4	177.6	0	0	110.5	G648 A649	E645-G648 PolarHBondContact O-N 3.46Å; E645-A649 PolarHBondContact O-N 3.06Å
646	T	76.4	Confident	85.1	Confident	68 Å²	68	65.4 Å²	65.4	42%	0.417	35%	0.347	S	S	.	.	H	α-helix	trans	-39	-53.3	179.6	-78	0	0	0	0	115.6	A649 Q650 Q692	T646-A649 PolarHBondContact O-N 2.89Å; T646-Q650 PolarHBondContact O-N 3.29Å; T646-Q650 VanDerWaalsContact O-N 3.15Å; T646-Q692 HydrophobicContact CG2-CG 4.07Å; T646-Q692 PolarHBondContact OG1-NE2 3.33Å; T646-Q692 VanDerWaalsContact OG1-NE2 3.12Å
647	P	82.4	Confident	85.4	Confident	75 Å²	75	61.6 Å²	61.6	49%	0.487	33%	0.327	S	S	.	.	H	α-helix	trans	-65.8	-41.5	-179.8	24.1	-32.8	0	0	0	112.6	A649 Q650 D651	P647-A649 VanDerWaalsContact C-N 3.32Å; P647-A649 PolarHBondContact O-N 2.93Å; P647-Q650 PolarHBondContact O-N 3.46Å; P647-D651 PolarHBondContact O-N 3.1Å
648	G	85.9	Confident	85.8	Confident	33 Å²	33	63.7 Å²	63.7	34%	0.34	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-35.5	177.1	0	0	0	0	0	112.9	E645 D651 L652	E645-G648 PolarHBondContact O-N 3.46Å; G648-D651 PolarHBondContact O-N 3.15Å; G648-L652 WeakPolarHBondContact O-CB 3.38Å; G648-L652 PolarHBondContact O-N 3.37Å
649	A	85.5	Confident	86.2	Confident	3 Å²	3	65.5 Å²	65.5	3%	0.025	34%	0.344	C	S	.	.	H	α-helix	trans	-65.5	-40.4	173.5	0	0	0	0	0	112.4	I641 L644 E645 T646 P647 L653 M688	I641-A649 HydrophobicContact CG2-CB 4.07Å; L644-A649 HydrophobicContact CB-CB 4.33Å; E645-A649 PolarHBondContact O-N 3.06Å; T646-A649 PolarHBondContact O-N 2.89Å; P647-A649 VanDerWaalsContact C-N 3.32Å; P647-A649 PolarHBondContact O-N 2.93Å; A649-L653 WeakPolarHBondContact O-CG 3.43Å; A649-L653 PolarHBondContact O-N 3.39Å; A649-L653 VanDerWaalsContact O-N 3.12Å; A649-M688 HydrophobicContact CB-CE 3.72Å
650	Q	88.4	Confident	86.8	Confident	42 Å²	42	63 Å²	63	20%	0.196	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-44	175.2	-70	-169.5	19.3	0	0	112.1	T646 P647 L653 N654 L685	T646-Q650 PolarHBondContact O-N 3.29Å; T646-Q650 VanDerWaalsContact O-N 3.15Å; P647-Q650 PolarHBondContact O-N 3.46Å; Q650-L653 PolarHBondContact O-N 3.07Å; Q650-N654 PolarHBondContact O-N 2.92Å; Q650-N654 PolarHBondContact O-ND2 3.5Å; Q650-L685 HydrophobicContact CB-CD1 4.11Å; Q650-L685 HydrophobicContact CG-CD1 4.2Å
651	D	89.9	Confident	87.3	Confident	83 Å²	83	63.8 Å²	63.8	44%	0.444	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-43.4	179.3	-72	-22.4	0	0	0	111.5	P647 G648 L653 N654 F655	P647-D651 PolarHBondContact O-N 3.1Å; G648-D651 PolarHBondContact O-N 3.15Å; D651-L653 VanDerWaalsContact C-N 3.33Å; D651-L653 PolarHBondContact O-N 2.79Å; D651-N654 PolarHBondContact O-N 2.9Å; D651-F655 HydrophobicContact CB-CD2 4.46Å; D651-F655 HydrophobicContact CB-CE2 4.04Å; D651-F655 WeakPolarHBondContact O-CD2 3.2Å; D651-F655 WeakPolarHBondContact O-CG 3.36Å; D651-F655 PolarHBondContact O-N 3.34Å
652	L	91.8	Very high	87.9	Confident	35 Å²	35	69.9 Å²	69.9	18%	0.183	35%	0.347	C	S	.	.	H	α-helix	trans	-58.2	-43.8	174.4	179.6	60.7	0	0	0	112	I641 L644 G648 F655 T656	I641-L652 HydrophobicContact CG1-CD2 3.85Å; L644-L652 HydrophobicContact CD1-CD2 3.75Å; G648-L652 WeakPolarHBondContact O-CB 3.38Å; G648-L652 PolarHBondContact O-N 3.37Å; L652-F655 PolarHBondContact O-N 3.36Å; L652-T656 HydrophobicContact CD1-CG2 4.08Å; L652-T656 WeakPolarHBondContact O-CB 3.31Å; L652-T656 VanDerWaalsContact O-CG2 3.32Å; L652-T656 WeakPolarHBondContact O-CG2 3.44Å; L652-T656 PolarHBondContact O-N 3.13Å; L652-T656 PolarHBondContact O-OG1 3.08Å
653	L	90.8	Very high	88.9	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.5	-44.2	175.5	-74.8	174.5	0	0	0	111.9	V638 I641 A649 Q650 D651 F655 T656 I657 L681 L685 M688	V638-L653 HydrophobicContact CG1-CD2 4.11Å; I641-L653 HydrophobicContact CD1-CD1 4.1Å; I641-L653 HydrophobicContact CD1-CD2 3.5Å; I641-L653 HydrophobicContact CD1-CG 3.59Å; A649-L653 WeakPolarHBondContact O-CG 3.43Å; A649-L653 PolarHBondContact O-N 3.39Å; A649-L653 VanDerWaalsContact O-N 3.12Å; Q650-L653 PolarHBondContact O-N 3.07Å; D651-L653 VanDerWaalsContact C-N 3.33Å; D651-L653 PolarHBondContact O-N 2.79Å; L653-F655 PolarHBondContact O-N 3.46Å; L653-T656 WeakPolarHBondContact CA-OG1 3.44Å; L653-T656 PolarHBondContact O-N 3.22Å; L653-T656 PolarHBondContact O-OG1 3.48Å; L653-T656 VanDerWaalsContact O-OG1 3.05Å; L653-I657 WeakPolarHBondContact O-CB 3.48Å; L653-I657 VanDerWaalsContact O-CD1 3.32Å; L653-I657 WeakPolarHBondContact O-CD1 3.26Å; L653-I657 WeakPolarHBondContact O-CG1 3.35Å; L653-I657 PolarHBondContact O-N 2.81Å; L653-L681 HydrophobicContact CD2-CB 4.27Å; L653-L681 HydrophobicContact CD2-CD2 3.97Å; L653-L685 HydrophobicContact CB-CB 4.32Å; L653-L685 HydrophobicContact CB-CD1 4.03Å; L653-L685 HydrophobicContact CD1-CB 4.09Å; L653-L685 HydrophobicContact CD1-CD1 4.2Å; L653-M688 HydrophobicContact CD1-SD 3.58Å; L653-M688 VanDerWaalsContact CD1-SD 3.58Å
654	N	93.7	Very high	89.4	Confident	61 Å²	61	58 Å²	58	33%	0.326	29%	0.292	S	S	.	.	H	α-helix	trans	-59	-45.9	177	-74.2	-52.5	0	0	0	111.7	Q650 D651 R658 L685	Q650-N654 PolarHBondContact O-N 2.92Å; Q650-N654 PolarHBondContact O-ND2 3.5Å; D651-N654 PolarHBondContact O-N 2.9Å; N654-R658 PolarHBondContact O-N 3.46Å; N654-R658 VanDerWaalsContact O-N 3.14Å; N654-L685 WeakPolarHBondContact OD1-CD2 3.43Å
655	F	93.9	Very high	89.9	Confident	104 Å²	104	60.1 Å²	60.1	46%	0.456	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-45.3	179.3	-65.8	-47	0	0	0	112	D651 L652 L653 R658 D659	D651-F655 HydrophobicContact CB-CD2 4.46Å; D651-F655 HydrophobicContact CB-CE2 4.04Å; D651-F655 WeakPolarHBondContact O-CD2 3.2Å; D651-F655 WeakPolarHBondContact O-CG 3.36Å; D651-F655 PolarHBondContact O-N 3.34Å; L652-F655 PolarHBondContact O-N 3.36Å; L653-F655 PolarHBondContact O-N 3.46Å; F655-R658 PolarHBondContact O-N 2.98Å; F655-D659 WeakPolarHBondContact O-CB 3.1Å; F655-D659 PolarHBondContact O-N 3.24Å
656	T	93.9	Very high	90.4	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-39.9	179.6	50.2	0	0	0	0	112.3	V638 L652 L653 R658 D659 L660	V638-T656 HydrophobicContact CG2-CG2 3.86Å; L652-T656 HydrophobicContact CD1-CG2 4.08Å; L652-T656 WeakPolarHBondContact O-CB 3.31Å; L652-T656 VanDerWaalsContact O-CG2 3.32Å; L652-T656 WeakPolarHBondContact O-CG2 3.44Å; L652-T656 PolarHBondContact O-N 3.13Å; L652-T656 PolarHBondContact O-OG1 3.08Å; L653-T656 WeakPolarHBondContact CA-OG1 3.44Å; L653-T656 PolarHBondContact O-N 3.22Å; L653-T656 PolarHBondContact O-OG1 3.48Å; L653-T656 VanDerWaalsContact O-OG1 3.05Å; T656-R658 VanDerWaalsContact C-N 3.33Å; T656-R658 PolarHBondContact O-N 2.84Å; T656-D659 PolarHBondContact O-N 3.32Å; T656-L660 WeakPolarHBondContact O-CB 3.5Å; T656-L660 WeakPolarHBondContact O-CG 3.35Å; T656-L660 PolarHBondContact O-N 3.47Å
657	I	95.1	Very high	91	Very high	14 Å²	14	56.4 Å²	56.4	7%	0.072	28%	0.281	C	S	.	.	H	α-helix	trans	-58.1	-46.8	173.1	-69.7	162.1	0	0	0	110.6	L653 L660 Q661 A678 L681 R682 L685	L653-I657 WeakPolarHBondContact O-CB 3.48Å; L653-I657 VanDerWaalsContact O-CD1 3.32Å; L653-I657 WeakPolarHBondContact O-CD1 3.26Å; L653-I657 WeakPolarHBondContact O-CG1 3.35Å; L653-I657 PolarHBondContact O-N 2.81Å; I657-L660 PolarHBondContact O-N 3.3Å; I657-Q661 HydrophobicContact CG2-CG 4.47Å; I657-Q661 WeakPolarHBondContact O-CB 3.49Å; I657-Q661 VanDerWaalsContact O-CG 3.3Å; I657-Q661 WeakPolarHBondContact O-CG 3.44Å; I657-Q661 PolarHBondContact O-N 2.87Å; I657-A678 HydrophobicContact CG2-CB 4.49Å; I657-L681 HydrophobicContact CD1-CB 4.16Å; I657-L681 HydrophobicContact CG1-CB 3.72Å; I657-R682 HydrophobicContact CD1-CB 4.15Å; I657-L685 HydrophobicContact CD1-CB 4.25Å; I657-L685 HydrophobicContact CD1-CD2 3.79Å
658	R	95.8	Very high	91.1	Very high	150 Å²	150	58.7 Å²	58.7	57%	0.566	29%	0.293	S	S	*	.	H	α-helix	trans	-62.7	-44	178.5	-174.1	-174.8	67	-175.9	-0.9	111.9	N654 F655 T656 L660 Q661 R662	N654-R658 PolarHBondContact O-N 3.46Å; N654-R658 VanDerWaalsContact O-N 3.14Å; F655-R658 PolarHBondContact O-N 2.98Å; T656-R658 VanDerWaalsContact C-N 3.33Å; T656-R658 PolarHBondContact O-N 2.84Å; R658-L660 VanDerWaalsContact C-N 3.34Å; R658-L660 PolarHBondContact O-N 2.94Å; R658-Q661 PolarHBondContact O-N 3.36Å; R658-R662 WeakPolarHBondContact O-CB 3.28Å; R658-R662 PolarHBondContact O-N 2.99Å
659	D	94.6	Very high	91	Very high	46 Å²	46	63.5 Å²	63.5	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-40.1	179.4	-68.3	-5.2	0	0	0	111.3	F630 F655 T656 R662 L663	F630-D659 HydrophobicContact CE1-CB 4.36Å; F630-D659 HydrophobicContact CZ-CB 4.26Å; F655-D659 WeakPolarHBondContact O-CB 3.1Å; F655-D659 PolarHBondContact O-N 3.24Å; T656-D659 PolarHBondContact O-N 3.32Å; D659-R662 PolarHBondContact O-N 2.79Å; D659-L663 WeakPolarHBondContact O-CB 3.39Å; D659-L663 PolarHBondContact O-N 3.39Å
660	L	93.6	Very high	91.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.9	-41.7	177.3	-68.7	174.8	0	0	0	112.8	L631 T656 I657 R658 R662 L663 G664 A674 C677 A678 L681	L631-L660 HydrophobicContact CD1-CD2 3.29Å; T656-L660 WeakPolarHBondContact O-CB 3.5Å; T656-L660 WeakPolarHBondContact O-CG 3.35Å; T656-L660 PolarHBondContact O-N 3.47Å; I657-L660 PolarHBondContact O-N 3.3Å; R658-L660 VanDerWaalsContact C-N 3.34Å; R658-L660 PolarHBondContact O-N 2.94Å; L660-R662 VanDerWaalsContact C-N 3.27Å; L660-R662 PolarHBondContact O-N 3.28Å; L660-L663 WeakPolarHBondContact O-CB 3.48Å; L660-L663 PolarHBondContact O-N 2.92Å; L660-G664 PolarHBondContact O-N 3.46Å; L660-A674 WeakPolarHBondContact O-CB 3.27Å; L660-C677 HydrophobicContact CD1-CB 3.74Å; L660-A678 HydrophobicContact CB-CB 3.98Å; L660-L681 HydrophobicContact CD1-CD1 3.77Å
661	Q	93.9	Very high	91.2	Very high	84 Å²	84	64 Å²	64	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-58.8	-44.4	172.8	-75.1	173.9	-21.2	0	0	110.5	I657 R658 L663 G664 E665 A678	I657-Q661 HydrophobicContact CG2-CG 4.47Å; I657-Q661 WeakPolarHBondContact O-CB 3.49Å; I657-Q661 VanDerWaalsContact O-CG 3.3Å; I657-Q661 WeakPolarHBondContact O-CG 3.44Å; I657-Q661 PolarHBondContact O-N 2.87Å; R658-Q661 PolarHBondContact O-N 3.36Å; Q661-L663 PolarHBondContact O-N 3.07Å; Q661-G664 PolarHBondContact O-N 3.21Å; Q661-E665 WeakPolarHBondContact O-CG 3.34Å; Q661-E665 PolarHBondContact O-N 3.3Å; Q661-E665 VanDerWaalsContact O-N 3.09Å; Q661-A678 HydrophobicContact CG-CB 3.97Å
662	R	93.3	Very high	91.1	Very high	142 Å²	142	60.4 Å²	60.4	54%	0.536	30%	0.298	S	S	.	.	H	α-helix	trans	-66.1	-37.4	177.5	-170	55.9	174.3	178.8	2.7	112.6	R658 D659 L660 G664 E665 L666	R658-R662 WeakPolarHBondContact O-CB 3.28Å; R658-R662 PolarHBondContact O-N 2.99Å; D659-R662 PolarHBondContact O-N 2.79Å; L660-R662 VanDerWaalsContact C-N 3.27Å; L660-R662 PolarHBondContact O-N 3.28Å; R662-G664 VanDerWaalsContact C-N 3.33Å; R662-G664 PolarHBondContact O-N 3.38Å; R662-E665 VanDerWaalsContact CD-OE2 3.32Å; R662-E665 WeakPolarHBondContact CD-OE2 3.3Å; R662-E665 IonicContact CZ-OE2 3.72Å; R662-E665 IonicContact NE-OE2 3.95Å; R662-E665 IonicContact NH1-OE2 3.86Å; R662-E665 PolarHBondContact NH1-OE2 3.13Å; R662-E665 PolarHBondContact O-N 3.06Å; R662-L666 HydrophobicContact CG-CD1 4.04Å; R662-L666 VanDerWaalsContact O-CG 3.26Å; R662-L666 WeakPolarHBondContact O-CG 3.37Å; R662-L666 PolarHBondContact O-N 3.1Å
663	L	92.6	Very high	91.1	Very high	19 Å²	19	59.4 Å²	59.4	10%	0.099	29%	0.294	C	S	.	.	H	α-helix	trans	-59	-45.4	173.2	-170	94.4	0	0	0	111.1	A627 F630 L631 D659 L660 Q661 E665 L666 Q667 A674	A627-L663 HydrophobicContact CB-CD1 4.19Å; F630-L663 HydrophobicContact CD1-CD1 3.75Å; F630-L663 HydrophobicContact CE1-CD1 4.32Å; L631-L663 HydrophobicContact CB-CD2 4.16Å; L631-L663 HydrophobicContact CD1-CD2 4.47Å; D659-L663 WeakPolarHBondContact O-CB 3.39Å; D659-L663 PolarHBondContact O-N 3.39Å; L660-L663 WeakPolarHBondContact O-CB 3.48Å; L660-L663 PolarHBondContact O-N 2.92Å; Q661-L663 PolarHBondContact O-N 3.07Å; L663-E665 VanDerWaalsContact C-N 3.34Å; L663-E665 PolarHBondContact O-N 3.42Å; L663-L666 PolarHBondContact O-N 2.98Å; L663-Q667 PolarHBondContact O-N 3.37Å; L663-A674 HydrophobicContact CB-CB 4.49Å; L663-A674 HydrophobicContact CD2-CB 3.95Å
664	G	88.7	Confident	91.2	Very high	16 Å²	16	59.4 Å²	59.4	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-31.6	-180	0	0	0	0	0	114	L660 Q661 R662 A671	L660-G664 PolarHBondContact O-N 3.46Å; Q661-G664 PolarHBondContact O-N 3.21Å; R662-G664 VanDerWaalsContact C-N 3.33Å; R662-G664 PolarHBondContact O-N 3.38Å; G664-A671 WeakPolarHBondContact O-CB 3.44Å
665	E	88.9	Confident	91.2	Very high	127 Å²	127	58.4 Å²	58.4	59%	0.593	29%	0.289	S	S	*	.	H	α-helix	trans	-68.6	-33.7	172.3	-70.9	172.4	-178.7	0	0	112.8	Q661 R662 L663	Q661-E665 WeakPolarHBondContact O-CG 3.34Å; Q661-E665 PolarHBondContact O-N 3.3Å; Q661-E665 VanDerWaalsContact O-N 3.09Å; R662-E665 VanDerWaalsContact CD-OE2 3.32Å; R662-E665 WeakPolarHBondContact CD-OE2 3.3Å; R662-E665 IonicContact CZ-OE2 3.72Å; R662-E665 IonicContact NE-OE2 3.95Å; R662-E665 IonicContact NH1-OE2 3.86Å; R662-E665 PolarHBondContact NH1-OE2 3.13Å; R662-E665 PolarHBondContact O-N 3.06Å; L663-E665 VanDerWaalsContact C-N 3.34Å; L663-E665 PolarHBondContact O-N 3.42Å
666	L	88.9	Confident	91.2	Very high	118 Å²	118	53.4 Å²	53.4	62%	0.618	27%	0.267	S	S	*	.	H	α-helix	trans	-87.7	-34.7	-175.7	-67.1	172	0	0	0	112.8	R662 L663	R662-L666 HydrophobicContact CG-CD1 4.04Å; R662-L666 VanDerWaalsContact O-CG 3.26Å; R662-L666 WeakPolarHBondContact O-CG 3.37Å; R662-L666 PolarHBondContact O-N 3.1Å; L663-L666 PolarHBondContact O-N 2.98Å
667	Q	88.4	Confident	91.1	Very high	32 Å²	32	53.4 Å²	53.4	15%	0.15	27%	0.267	C	S	.	.			trans	-121	98.9	-174.5	-171.9	62.9	6.5	0	0	111.4	A627 L663 E669 L670 A671	A627-Q667 HydrophobicContact CB-CG 4.4Å; L663-Q667 PolarHBondContact O-N 3.37Å; Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3.31Å; Q667-L670 HydrophobicContact CB-CB 4.49Å; Q667-L670 HydrophobicContact CG-CB 4.06Å; Q667-L670 HydrophobicContact CG-CD1 4.12Å; Q667-L670 HydrophobicContact CG-CG 4.11Å; Q667-L670 PolarHBondContact O-N 3.02Å; Q667-A671 PolarHBondContact O-N 3.39Å
668	T	85	Confident	91.1	Very high	122 Å²	122	52.8 Å²	52.8	75%	0.748	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-59.9	-38	-176.6	52.6	0	0	0	0	113.2	L670 A671	T668-L670 VanDerWaalsContact C-N 3.33Å; T668-L670 PolarHBondContact O-N 3.37Å; T668-A671 VanDerWaalsContact O-CB 3.31Å; T668-A671 WeakPolarHBondContact O-CB 3.47Å; T668-A671 PolarHBondContact O-N 3.35Å
669	E	85.1	Confident	91	Very high	135 Å²	135	46.3 Å²	46.3	63%	0.631	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-65.8	-33	180	-63.7	-175.5	176.5	0	0	113.3	V624 Q667	V624-E669 WeakPolarHBondContact CG1-OE2 3.49Å; V624-E669 WeakPolarHBondContact CG2-OE2 3.49Å; Q667-E669 VanDerWaalsContact C-N 3.32Å; Q667-E669 PolarHBondContact O-N 3.31Å
670	L	87.9	Confident	91	Very high	25 Å²	25	44.2 Å²	44.2	13%	0.131	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-98.4	-0.4	179.1	-66.5	175.9	0	0	0	112.6	A627 K628 Q667 T668 G672 A673 A674	A627-L670 HydrophobicContact CB-CD1 3.66Å; K628-L670 HydrophobicContact CB-CD1 4.25Å; Q667-L670 HydrophobicContact CB-CB 4.49Å; Q667-L670 HydrophobicContact CG-CB 4.06Å; Q667-L670 HydrophobicContact CG-CD1 4.12Å; Q667-L670 HydrophobicContact CG-CG 4.11Å; Q667-L670 PolarHBondContact O-N 3.02Å; T668-L670 VanDerWaalsContact C-N 3.33Å; T668-L670 PolarHBondContact O-N 3.37Å; L670-G672 VanDerWaalsContact C-N 3.28Å; L670-G672 PolarHBondContact O-N 3.3Å; L670-A673 PolarHBondContact O-N 3.11Å; L670-A673 VanDerWaalsContact O-N 3.17Å; L670-A674 WeakPolarHBondContact O-CB 3.23Å; L670-A674 PolarHBondContact O-N 3.36Å
671	A	88.7	Confident	91	Very high	30 Å²	30	44.5 Å²	44.5	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-56.9	-41.1	-174.5	0	0	0	0	0	112.4	G664 Q667 T668 A674 D675	G664-A671 WeakPolarHBondContact O-CB 3.44Å; Q667-A671 PolarHBondContact O-N 3.39Å; T668-A671 VanDerWaalsContact O-CB 3.31Å; T668-A671 WeakPolarHBondContact O-CB 3.47Å; T668-A671 PolarHBondContact O-N 3.35Å; A671-A674 PolarHBondContact O-N 3.15Å; A671-D675 WeakPolarHBondContact O-CB 3.28Å; A671-D675 PolarHBondContact O-N 3.35Å
672	G	89.6	Confident	91	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-48.8	176.9	0	0	0	0	0	113	L670 F676 Y728	L670-G672 VanDerWaalsContact C-N 3.28Å; L670-G672 PolarHBondContact O-N 3.3Å; G672-F676 VanDerWaalsContact O-CB 3.26Å; G672-F676 WeakPolarHBondContact O-CB 3.48Å; G672-F676 PolarHBondContact O-N 2.89Å; G672-Y728 WeakPolarHBondContact O-CE1 3.46Å
673	A	91.6	Very high	91.1	Very high	14 Å²	14	38.5 Å²	38.5	12%	0.116	21%	0.205	C	C	.	.	H	α-helix	trans	-66.8	-40.6	178.7	0	0	0	0	0	112.2	L631 L670 F676 C677 I834	L631-A673 HydrophobicContact CD2-CB 4.13Å; L670-A673 PolarHBondContact O-N 3.11Å; L670-A673 VanDerWaalsContact O-N 3.17Å; A673-F676 PolarHBondContact O-N 2.8Å; A673-C677 WeakPolarHBondContact O-CB 3.24Å; A673-C677 PolarHBondContact O-N 3.15Å; A673-C677 PolarHBondContact O-SG 3.37Å; A673-I834 HydrophobicContact CB-CB 4.47Å
674	A	92.3	Very high	91	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-45.7	179.4	0	0	0	0	0	112	L660 L663 L670 A671 C677 A678	L660-A674 WeakPolarHBondContact O-CB 3.27Å; L663-A674 HydrophobicContact CB-CB 4.49Å; L663-A674 HydrophobicContact CD2-CB 3.95Å; L670-A674 WeakPolarHBondContact O-CB 3.23Å; L670-A674 PolarHBondContact O-N 3.36Å; A671-A674 PolarHBondContact O-N 3.15Å; A674-C677 PolarHBondContact O-N 3.17Å; A674-A678 VanDerWaalsContact O-CB 3.31Å; A674-A678 WeakPolarHBondContact O-CB 3.48Å; A674-A678 PolarHBondContact O-N 3.27Å
675	D	92.6	Very high	91.1	Very high	39 Å²	39	37.5 Å²	37.5	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-67.1	-39.4	177.8	-168.2	28.8	0	0	0	111.9	A671 A678 T679 Y728 R836	A671-D675 WeakPolarHBondContact O-CB 3.28Å; A671-D675 PolarHBondContact O-N 3.35Å; D675-A678 PolarHBondContact O-N 2.72Å; D675-T679 VanDerWaalsContact O-CB 3.23Å; D675-T679 WeakPolarHBondContact O-CB 3.4Å; D675-T679 PolarHBondContact O-N 3.37Å; D675-T679 PolarHBondContact O-OG1 2.69Å; D675-Y728 PolarHBondContact OD2-OH 2.71Å; D675-R836 WeakPolarHBondContact OD2-CD 3.33Å; D675-R836 IonicContact OD2-CZ 3.88Å; D675-R836 VanDerWaalsContact OD2-CZ 3.31Å; D675-R836 IonicContact OD2-NE 2.77Å; D675-R836 IonicContact OD2-NH1 3.52Å; D675-R836 PolarHBondContact OD2-NH1 3.48Å
676	F	94.1	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-50.6	172.9	-179.1	-99.2	0	0	0	111.4	G672 A673 T679 F680 L724 Y728 L731 I739 L828 L830 I834	G672-F676 VanDerWaalsContact O-CB 3.26Å; G672-F676 WeakPolarHBondContact O-CB 3.48Å; G672-F676 PolarHBondContact O-N 2.89Å; A673-F676 PolarHBondContact O-N 2.8Å; F676-T679 PolarHBondContact O-N 3.26Å; F676-F680 WeakPolarHBondContact O-CB 3.28Å; F676-F680 PolarHBondContact O-N 3.26Å; F676-L724 HydrophobicContact CD2-CD2 3.38Å; F676-L724 HydrophobicContact CE2-CB 4.19Å; F676-L724 HydrophobicContact CE2-CD2 3.59Å; F676-L724 HydrophobicContact CE2-CG 4.48Å; F676-L724 HydrophobicContact CG-CD2 4.04Å; F676-L724 HydrophobicContact CZ-CD2 4.41Å; F676-L724 WeakPolarHBondContact O-CD2 3Å; F676-Y728 HydrophobicContact CB-CD1 4.08Å; F676-Y728 HydrophobicContact CB-CE1 3.69Å; F676-Y728 HydrophobicContact CD2-CD1 4.04Å; F676-Y728 AromaticContact CD2-CD2 3.77Å; F676-Y728 HydrophobicContact CD2-CD2 3.77Å; F676-Y728 HydrophobicContact CD2-CE1 4.24Å; F676-Y728 AromaticContact CD2-CE2 3.99Å; F676-Y728 HydrophobicContact CD2-CE2 3.99Å; F676-Y728 AromaticContact CD2-CG 3.78Å; F676-Y728 HydrophobicContact CD2-CG 3.78Å; F676-Y728 HydrophobicContact CE2-CD2 4.43Å; F676-Y728 HydrophobicContact CE2-CG 4.5Å; F676-Y728 HydrophobicContact CG-CD1 4.49Å; F676-Y728 HydrophobicContact CG-CE1 4.47Å; F676-Y728 PolarHBondContact N-OH 3.36Å; F676-L731 HydrophobicContact CD2-CD2 4.4Å; F676-L731 HydrophobicContact CE1-CD2 4.43Å; F676-L731 HydrophobicContact CE2-CD1 4.42Å; F676-L731 HydrophobicContact CE2-CD2 3.63Å; F676-L731 HydrophobicContact CZ-CD2 3.66Å; F676-I739 HydrophobicContact CE2-CD1 4.06Å; F676-I739 HydrophobicContact CZ-CD1 4.07Å; F676-L828 HydrophobicContact CD1-CD2 4Å; F676-L828 HydrophobicContact CE1-CD1 4Å; F676-L828 HydrophobicContact CE1-CD2 3.65Å; F676-L828 HydrophobicContact CE1-CG 4.28Å; F676-L828 HydrophobicContact CZ-CD1 4.47Å; F676-L830 HydrophobicContact CD1-CD2 4Å; F676-L830 HydrophobicContact CE1-CD2 4.36Å; F676-I834 HydrophobicContact CB-CD1 4.44Å; F676-I834 HydrophobicContact CB-CG2 4.35Å; F676-I834 HydrophobicContact CD1-CD1 3.52Å; F676-I834 HydrophobicContact CD2-CD1 4.48Å; F676-I834 HydrophobicContact CE1-CD1 3.76Å; F676-I834 HydrophobicContact CG-CD1 3.92Å; F676-I834 HydrophobicContact CG-CG2 4.47Å; F676-I834 HydrophobicContact CZ-CD1 4.38Å
677	C	92.9	Very high	91.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63	-46.6	177.2	-71.3	0	0	0	0	112.4	L635 L660 A673 A674 T679 F680 L681 L830	L635-C677 HydrophobicContact CD2-CB 4.13Å; L660-C677 HydrophobicContact CD1-CB 3.74Å; A673-C677 WeakPolarHBondContact O-CB 3.24Å; A673-C677 PolarHBondContact O-N 3.15Å; A673-C677 PolarHBondContact O-SG 3.37Å; A674-C677 PolarHBondContact O-N 3.17Å; C677-T679 VanDerWaalsContact C-N 3.3Å; C677-T679 PolarHBondContact O-N 2.91Å; C677-F680 PolarHBondContact O-N 2.85Å; C677-L681 WeakPolarHBondContact O-CB 3.1Å; C677-L681 VanDerWaalsContact O-CG 3.28Å; C677-L681 WeakPolarHBondContact O-CG 3.28Å; C677-L681 PolarHBondContact O-N 3.5Å; C677-L830 WeakPolarHBondContact SG-CD2 3.43Å
678	A	94.3	Very high	91.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.008	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-43.3	179.3	0	0	0	0	0	111.4	I657 L660 Q661 A674 D675 L681 R682	I657-A678 HydrophobicContact CG2-CB 4.49Å; L660-A678 HydrophobicContact CB-CB 3.98Å; Q661-A678 HydrophobicContact CG-CB 3.97Å; A674-A678 VanDerWaalsContact O-CB 3.31Å; A674-A678 WeakPolarHBondContact O-CB 3.48Å; A674-A678 PolarHBondContact O-N 3.27Å; D675-A678 PolarHBondContact O-N 2.72Å; A678-L681 PolarHBondContact O-N 2.57Å; A678-R682 VanDerWaalsContact O-CB 3.28Å; A678-R682 WeakPolarHBondContact O-CB 3.39Å; A678-R682 PolarHBondContact O-N 3.23Å
679	T	94.3	Very high	91.4	Very high	15 Å²	15	25.5 Å²	25.5	9%	0.092	13%	0.128	C	C	.	.	H	α-helix	trans	-66	-43.8	178	-58.5	0	0	0	0	111.4	D675 F676 C677 R682 C683 E720 L724	D675-T679 VanDerWaalsContact O-CB 3.23Å; D675-T679 WeakPolarHBondContact O-CB 3.4Å; D675-T679 PolarHBondContact O-N 3.37Å; D675-T679 PolarHBondContact O-OG1 2.69Å; F676-T679 PolarHBondContact O-N 3.26Å; C677-T679 VanDerWaalsContact C-N 3.3Å; C677-T679 PolarHBondContact O-N 2.91Å; T679-R682 WeakPolarHBondContact O-CB 3.34Å; T679-R682 PolarHBondContact O-N 3.21Å; T679-C683 PolarHBondContact O-N 2.85Å; T679-C683 PolarHBondContact O-SG 3.36Å; T679-E720 HydrophobicContact CG2-CB 4Å; T679-E720 HydrophobicContact CG2-CG 4.32Å; T679-E720 WeakPolarHBondContact CG2-OE2 3.32Å; T679-L724 HydrophobicContact CG2-CD1 4.21Å; T679-L724 HydrophobicContact CG2-CD2 3.92Å; T679-L724 HydrophobicContact CG2-CG 3.91Å
680	F	94.3	Very high	91.5	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.009	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-47.4	175	-178.6	-93.4	0	0	0	112.4	F676 C677 R682 C683 Q684 L724 T738 V742 L828	F676-F680 WeakPolarHBondContact O-CB 3.28Å; F676-F680 PolarHBondContact O-N 3.26Å; C677-F680 PolarHBondContact O-N 2.85Å; F680-R682 VanDerWaalsContact C-N 3.27Å; F680-R682 PolarHBondContact O-N 3.45Å; F680-C683 WeakPolarHBondContact O-CB 3.43Å; F680-C683 PolarHBondContact O-N 3.17Å; F680-Q684 HydrophobicContact CD1-CG 4.39Å; F680-Q684 HydrophobicContact CE1-CG 4.01Å; F680-Q684 HydrophobicContact CZ-CG 4.42Å; F680-Q684 PolarHBondContact O-N 3.06Å; F680-L724 HydrophobicContact CB-CD1 4.22Å; F680-L724 HydrophobicContact CD2-CD1 4.31Å; F680-T738 HydrophobicContact CE2-CG2 3.86Å; F680-T738 HydrophobicContact CZ-CG2 3.83Å; F680-V742 HydrophobicContact CE2-CG2 3.9Å; F680-V742 HydrophobicContact CZ-CG2 4.27Å; F680-L828 HydrophobicContact CB-CD2 4.05Å; F680-L828 HydrophobicContact CD1-CB 3.94Å; F680-L828 HydrophobicContact CD1-CD2 3.91Å; F680-L828 HydrophobicContact CD1-CG 4.4Å; F680-L828 HydrophobicContact CD2-CD1 4.36Å; F680-L828 HydrophobicContact CE1-CB 3.78Å; F680-L828 HydrophobicContact CE2-CD1 4.36Å; F680-L828 HydrophobicContact CG-CD2 3.9Å; F680-L828 HydrophobicContact CZ-CB 4.27Å; F680-L828 HydrophobicContact CZ-CD1 4.5Å
681	L	93.2	Very high	91.3	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	10%	0.101	C	C	.	.	H	α-helix	trans	-64.8	-32.5	177.4	-66.5	-177.7	0	0	0	112	V638 L653 I657 L660 C677 A678 Q684 L685	V638-L681 HydrophobicContact CG1-CD2 3.72Å; V638-L681 HydrophobicContact CG2-CD1 4.05Å; V638-L681 HydrophobicContact CG2-CD2 4.49Å; L653-L681 HydrophobicContact CD2-CB 4.27Å; L653-L681 HydrophobicContact CD2-CD2 3.97Å; I657-L681 HydrophobicContact CD1-CB 4.16Å; I657-L681 HydrophobicContact CG1-CB 3.72Å; L660-L681 HydrophobicContact CD1-CD1 3.77Å; C677-L681 WeakPolarHBondContact O-CB 3.1Å; C677-L681 VanDerWaalsContact O-CG 3.28Å; C677-L681 WeakPolarHBondContact O-CG 3.28Å; C677-L681 PolarHBondContact O-N 3.5Å; A678-L681 PolarHBondContact O-N 2.57Å; L681-Q684 PolarHBondContact O-N 3.11Å; L681-L685 WeakPolarHBondContact O-CB 3.41Å; L681-L685 PolarHBondContact O-N 3.32Å
682	R	94.8	Very high	90.6	Very high	99 Å²	99	21.5 Å²	21.5	37%	0.374	11%	0.105	S	C	.	.	H	α-helix	trans	-63.8	-42.3	172.8	-174.2	179.8	-176.8	168	4.3	111.8	I657 A678 T679 F680 Q684 L685 L686	I657-R682 HydrophobicContact CD1-CB 4.15Å; A678-R682 VanDerWaalsContact O-CB 3.28Å; A678-R682 WeakPolarHBondContact O-CB 3.39Å; A678-R682 PolarHBondContact O-N 3.23Å; T679-R682 WeakPolarHBondContact O-CB 3.34Å; T679-R682 PolarHBondContact O-N 3.21Å; F680-R682 VanDerWaalsContact C-N 3.27Å; F680-R682 PolarHBondContact O-N 3.45Å; R682-Q684 VanDerWaalsContact C-N 3.3Å; R682-Q684 PolarHBondContact O-N 3.08Å; R682-L685 PolarHBondContact O-N 3.38Å; R682-L686 HydrophobicContact CG-CD1 4.27Å; R682-L686 WeakPolarHBondContact O-CB 3.21Å; R682-L686 VanDerWaalsContact O-CG 3.31Å; R682-L686 WeakPolarHBondContact O-CG 3.46Å; R682-L686 PolarHBondContact O-N 2.96Å
683	C	94.5	Very high	89.5	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.007	11%	0.112	C	C	.	.	H	α-helix	trans	-57.6	-44.9	173.5	-68.6	0	0	0	0	111.5	T679 F680 L686 L687 I717 E720 V742	T679-C683 PolarHBondContact O-N 2.85Å; T679-C683 PolarHBondContact O-SG 3.36Å; F680-C683 WeakPolarHBondContact O-CB 3.43Å; F680-C683 PolarHBondContact O-N 3.17Å; C683-L686 PolarHBondContact O-N 3.31Å; C683-L687 WeakPolarHBondContact O-CB 3.3Å; C683-L687 PolarHBondContact O-N 3.43Å; C683-I717 HydrophobicContact CB-CG2 4.12Å; C683-E720 VanDerWaalsContact SG-CB 3.51Å; C683-V742 HydrophobicContact CB-CG1 4.13Å
684	Q	90.6	Very high	88.1	Confident	5 Å²	5	30.2 Å²	30.2	2%	0.023	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-44.2	178	-66.3	-62.2	-20.6	0	0	112.7	F680 L681 R682 L686 L687 M688 V742 L825	F680-Q684 HydrophobicContact CD1-CG 4.39Å; F680-Q684 HydrophobicContact CE1-CG 4.01Å; F680-Q684 HydrophobicContact CZ-CG 4.42Å; F680-Q684 PolarHBondContact O-N 3.06Å; L681-Q684 PolarHBondContact O-N 3.11Å; R682-Q684 VanDerWaalsContact C-N 3.3Å; R682-Q684 PolarHBondContact O-N 3.08Å; Q684-L686 PolarHBondContact O-N 3.37Å; Q684-L687 PolarHBondContact O-N 3.32Å; Q684-M688 WeakPolarHBondContact O-CG 3.35Å; Q684-M688 PolarHBondContact O-N 3.47Å; Q684-V742 VanDerWaalsContact NE2-CG2 3.26Å; Q684-L825 HydrophobicContact CB-CD1 3.5Å; Q684-L825 HydrophobicContact CG-CD1 3.67Å; Q684-L825 HydrophobicContact CG-CG 4.25Å
685	L	91.6	Very high	86.7	Confident	9 Å²	9	30.4 Å²	30.4	5%	0.047	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-43.4	176.4	177.3	64.7	0	0	0	112	Q650 L653 N654 I657 L681 R682 L687 M688 K689	Q650-L685 HydrophobicContact CB-CD1 4.11Å; Q650-L685 HydrophobicContact CG-CD1 4.2Å; L653-L685 HydrophobicContact CB-CB 4.32Å; L653-L685 HydrophobicContact CB-CD1 4.03Å; L653-L685 HydrophobicContact CD1-CB 4.09Å; L653-L685 HydrophobicContact CD1-CD1 4.2Å; N654-L685 WeakPolarHBondContact OD1-CD2 3.43Å; I657-L685 HydrophobicContact CD1-CB 4.25Å; I657-L685 HydrophobicContact CD1-CD2 3.79Å; L681-L685 WeakPolarHBondContact O-CB 3.41Å; L681-L685 PolarHBondContact O-N 3.32Å; R682-L685 PolarHBondContact O-N 3.38Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-M688 PolarHBondContact O-N 2.75Å; L685-K689 HydrophobicContact CD1-CD 4.38Å; L685-K689 HydrophobicContact CD1-CG 4.47Å; L685-K689 HydrophobicContact CG-CD 4.31Å; L685-K689 WeakPolarHBondContact O-CB 3.38Å; L685-K689 WeakPolarHBondContact O-CG 3.47Å; L685-K689 PolarHBondContact O-N 3.21Å
686	L	92.2	Very high	85.7	Confident	28 Å²	28	29.4 Å²	29.4	15%	0.147	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-42.6	176.2	-73.4	172.8	0	0	0	111.2	R682 C683 Q684 K689 A690 Q716 I717	R682-L686 HydrophobicContact CG-CD1 4.27Å; R682-L686 WeakPolarHBondContact O-CB 3.21Å; R682-L686 VanDerWaalsContact O-CG 3.31Å; R682-L686 WeakPolarHBondContact O-CG 3.46Å; R682-L686 PolarHBondContact O-N 2.96Å; C683-L686 PolarHBondContact O-N 3.31Å; Q684-L686 PolarHBondContact O-N 3.37Å; L686-K689 PolarHBondContact O-N 2.92Å; L686-A690 WeakPolarHBondContact O-CB 3.2Å; L686-A690 PolarHBondContact O-N 3.44Å; L686-Q716 HydrophobicContact CD1-CB 4.3Å; L686-Q716 HydrophobicContact CD1-CG 3.86Å; L686-I717 HydrophobicContact CB-CD1 3.94Å; L686-I717 HydrophobicContact CB-CG1 3.91Å; L686-I717 HydrophobicContact CD1-CG1 4.24Å
687	L	90.3	Very high	84.4	Confident	6 Å²	6	36.2 Å²	36.2	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-46.7	176.6	-176.8	62.5	0	0	0	111.3	C683 Q684 L685 K689 A690 L691 I717 Q745 L749	C683-L687 WeakPolarHBondContact O-CB 3.3Å; C683-L687 PolarHBondContact O-N 3.43Å; Q684-L687 PolarHBondContact O-N 3.32Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L687-K689 PolarHBondContact O-N 2.99Å; L687-A690 PolarHBondContact O-N 2.93Å; L687-L691 HydrophobicContact CD1-CD1 4.12Å; L687-L691 HydrophobicContact CD1-CG 4.31Å; L687-L691 HydrophobicContact CG-CD1 4.03Å; L687-L691 WeakPolarHBondContact O-CB 3.39Å; L687-L691 VanDerWaalsContact O-CG 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.41Å; L687-L691 PolarHBondContact O-N 2.85Å; L687-I717 HydrophobicContact CB-CD1 4.05Å; L687-Q745 HydrophobicContact CD2-CB 4.03Å; L687-Q745 HydrophobicContact CD2-CG 4.45Å; L687-L749 HydrophobicContact CD1-CD2 4.15Å
688	M	87.7	Confident	83.2	Confident	32 Å²	32	41.1 Å²	41.1	16%	0.158	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-46.3	176.2	-75.1	179.6	74.1	0	0	112	A649 L653 Q684 L685 A690 L691 Q692	A649-M688 HydrophobicContact CB-CE 3.72Å; L653-M688 HydrophobicContact CD1-SD 3.58Å; L653-M688 VanDerWaalsContact CD1-SD 3.58Å; Q684-M688 WeakPolarHBondContact O-CG 3.35Å; Q684-M688 PolarHBondContact O-N 3.47Å; L685-M688 PolarHBondContact O-N 2.75Å; M688-A690 PolarHBondContact O-N 2.99Å; M688-L691 PolarHBondContact O-N 3.19Å; M688-Q692 WeakPolarHBondContact O-CB 3.38Å; M688-Q692 VanDerWaalsContact O-CG 3.31Å; M688-Q692 WeakPolarHBondContact O-CG 3.41Å; M688-Q692 PolarHBondContact O-N 3.24Å
689	K	87.1	Confident	81.7	Confident	82 Å²	82	43.9 Å²	43.9	36%	0.357	22%	0.216	S	C	.	.	H	α-helix	trans	-60.7	-44.2	177.5	-75.3	177.4	-179.9	176	0	111.7	L685 L686 L687 L691 Q692 E693	L685-K689 HydrophobicContact CD1-CD 4.38Å; L685-K689 HydrophobicContact CD1-CG 4.47Å; L685-K689 HydrophobicContact CG-CD 4.31Å; L685-K689 WeakPolarHBondContact O-CB 3.38Å; L685-K689 WeakPolarHBondContact O-CG 3.47Å; L685-K689 PolarHBondContact O-N 3.21Å; L686-K689 PolarHBondContact O-N 2.92Å; L687-K689 PolarHBondContact O-N 2.99Å; K689-L691 VanDerWaalsContact C-N 3.34Å; K689-L691 PolarHBondContact O-N 3.06Å; K689-Q692 PolarHBondContact O-N 2.75Å; K689-E693 PolarHBondContact O-N 3Å
690	A	87.4	Confident	80	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-33.3	178.2	0	0	0	0	0	112.9	L686 L687 M688 W696 A710 A713 L749	L686-A690 WeakPolarHBondContact O-CB 3.2Å; L686-A690 PolarHBondContact O-N 3.44Å; L687-A690 PolarHBondContact O-N 2.93Å; M688-A690 PolarHBondContact O-N 2.99Å; A690-W696 PolarHBondContact O-NE1 2.91Å; A690-A710 HydrophobicContact CB-CB 4.36Å; A690-A713 HydrophobicContact CB-CB 4.5Å; A690-L749 HydrophobicContact CB-CD2 3.75Å
691	L	82.6	Confident	78.4	Confident	31 Å²	31	50.3 Å²	50.3	16%	0.162	26%	0.258	C	S	.	.	H	α-helix	trans	-79.6	-23.4	178.7	-69.3	176.2	0	0	0	114	L687 M688 K689 W696 L749 L820 R821	L687-L691 HydrophobicContact CD1-CD1 4.12Å; L687-L691 HydrophobicContact CD1-CG 4.31Å; L687-L691 HydrophobicContact CG-CD1 4.03Å; L687-L691 WeakPolarHBondContact O-CB 3.39Å; L687-L691 VanDerWaalsContact O-CG 3.31Å; L687-L691 WeakPolarHBondContact O-CG 3.41Å; L687-L691 PolarHBondContact O-N 2.85Å; M688-L691 PolarHBondContact O-N 3.19Å; K689-L691 VanDerWaalsContact C-N 3.34Å; K689-L691 PolarHBondContact O-N 3.06Å; L691-W696 PolarHBondContact O-NE1 3.43Å; L691-L749 HydrophobicContact CD2-CD1 4.4Å; L691-L820 HydrophobicContact CD1-CG 4.34Å; L691-L820 HydrophobicContact CD2-CD2 3.89Å; L691-L820 HydrophobicContact CD2-CG 3.97Å; L691-R821 HydrophobicContact CD2-CG 4.48Å
692	Q	75.8	Confident	76.8	Confident	72 Å²	72	56.3 Å²	56.3	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-97.1	-3.3	-178	-70.3	166.9	-5.2	0	0	113.7	T646 M688 K689	T646-Q692 HydrophobicContact CG2-CG 4.07Å; T646-Q692 PolarHBondContact OG1-NE2 3.33Å; T646-Q692 VanDerWaalsContact OG1-NE2 3.12Å; M688-Q692 WeakPolarHBondContact O-CB 3.38Å; M688-Q692 VanDerWaalsContact O-CG 3.31Å; M688-Q692 WeakPolarHBondContact O-CG 3.41Å; M688-Q692 PolarHBondContact O-N 3.24Å; K689-Q692 PolarHBondContact O-N 2.75Å
693	E	65	Low	75.1	Confident	50 Å²	50	52.4 Å²	52.4	23%	0.234	28%	0.277	C	S	.	.	S	Bend	trans	-62.8	138.7	-177.1	-149.9	155.1	-167.9	0	0	111.2	K689 L695 W696 T709	K689-E693 PolarHBondContact O-N 3Å; E693-L695 HydrophobicContact CB-CB 3.98Å; E693-L695 HydrophobicContact CG-CB 4.25Å; E693-L695 PolarHBondContact O-N 2.87Å; E693-W696 PolarHBondContact O-N 2.58Å; E693-W696 VanDerWaalsContact O-N 3.13Å; E693-T709 PolarHBondContact OE1-OG1 3.31Å
694	K	62.1	Low	73.6	Confident	155 Å²	155	56.6 Å²	56.6	67%	0.674	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-55.4	-14.9	178.8	-68.6	-177	-179.7	179.5	0	113.2	W696 N697 M698	K694-W696 PolarHBondContact O-N 3.08Å; K694-W696 VanDerWaalsContact O-N 3.08Å; K694-N697 PolarHBondContact O-N 3.36Å; K694-M698 PolarHBondContact O-N 3.48Å
695	L	63.6	Low	72.3	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.021	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-38.2	-38.1	166.1	-163.3	88.6	0	0	0	114.8	E693 N697 C703 Q706 N707 A710 L753 R756	E693-L695 HydrophobicContact CB-CB 3.98Å; E693-L695 HydrophobicContact CG-CB 4.25Å; E693-L695 PolarHBondContact O-N 2.87Å; L695-N697 VanDerWaalsContact C-N 3.32Å; L695-N697 PolarHBondContact O-N 3.46Å; L695-C703 HydrophobicContact CD1-CB 4.47Å; L695-Q706 HydrophobicContact CD1-CB 3.43Å; L695-Q706 VanDerWaalsContact CD1-CB 3.43Å; L695-N707 HydrophobicContact CD1-CB 4.25Å; L695-N707 VanDerWaalsContact CD1-N 3.33Å; L695-N707 WeakPolarHBondContact CD1-OD1 3.42Å; L695-N707 WeakPolarHBondContact CD2-OD1 3.38Å; L695-A710 HydrophobicContact CD2-CB 4.44Å; L695-L753 HydrophobicContact CD2-CD2 3.84Å; L695-R756 PolarHBondContact O-NH1 2.97Å
696	W	71.3	Confident	71	Confident	19 Å²	19	67.6 Å²	67.6	7%	0.072	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-76.7	-21	-173.6	-73.1	118.5	0	0	0	114	A690 L691 E693 K694 L749 V752 L753 R756 Q817	A690-W696 PolarHBondContact O-NE1 2.91Å; L691-W696 PolarHBondContact O-NE1 3.43Å; E693-W696 PolarHBondContact O-N 2.58Å; E693-W696 VanDerWaalsContact O-N 3.13Å; K694-W696 PolarHBondContact O-N 3.08Å; K694-W696 VanDerWaalsContact O-N 3.08Å; W696-L749 HydrophobicContact CH2-CD1 4.47Å; W696-L749 HydrophobicContact CZ2-CD1 4.07Å; W696-V752 HydrophobicContact CH2-CG1 3.6Å; W696-V752 HydrophobicContact CZ3-CG1 3.73Å; W696-L753 HydrophobicContact CH2-CD2 4.49Å; W696-R756 VanDerWaalsContact CE3-NH1 3.3Å; W696-Q817 HydrophobicContact CE3-CG 4.41Å; W696-Q817 HydrophobicContact CZ3-CG 3.92Å
697	N	67.9	Low	70.1	Confident	142 Å²	142	66.7 Å²	66.7	76%	0.759	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-3.9	-175.2	-60.5	-22.4	0	0	0	112.8	K694 L695	K694-N697 PolarHBondContact O-N 3.36Å; L695-N697 VanDerWaalsContact C-N 3.32Å; L695-N697 PolarHBondContact O-N 3.46Å
698	M	65.8	Low	69.5	Low	103 Å²	103	71.2 Å²	71.2	51%	0.507	38%	0.375	S	S	.	.	S	Bend	trans	-107.2	151	178.7	-71.5	-77	-146.5	0	0	111.2	K694	K694-M698 PolarHBondContact O-N 3.48Å
699	A	63.6	Low	69.2	Low	59 Å²	59	73.1 Å²	73.1	49%	0.488	39%	0.389	S	S	.	.			trans	-67.6	132.7	174.2	0	0	0	0	0	110.9	P701 L702	A699-P701 VanDerWaalsContact C-N 3.33Å; A699-P701 WeakPolarHBondContact O-CD 3.22Å; A699-P701 VanDerWaalsContact O-N 3.14Å; A699-L702 HydrophobicContact CB-CD1 4.18Å; A699-L702 WeakPolarHBondContact O-CB 3.47Å; A699-L702 PolarHBondContact O-N 2.99Å
700	V	59.5	Low	69	Low	43 Å²	43	69.2 Å²	69.2	26%	0.261	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-46.5	-42	-175.2	-178.5	0	0	0	0	114.7	L702 C703 R756	V700-L702 PolarHBondContact O-N 2.93Å; V700-L702 VanDerWaalsContact O-N 3.11Å; V700-C703 PolarHBondContact O-N 2.76Å; V700-R756 WeakPolarHBondContact CG1-O 3.16Å; V700-R756 HydrophobicContact CG2-CB 4.2Å; V700-R756 HydrophobicContact CG2-CG 4.33Å
701	P	60.1	Low	68.9	Low	110 Å²	110	71 Å²	71	71%	0.714	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-65.1	-15.8	-178.3	-20.6	33.4	0	0	0	114.5	A699	A699-P701 VanDerWaalsContact C-N 3.33Å; A699-P701 WeakPolarHBondContact O-CD 3.22Å; A699-P701 VanDerWaalsContact O-N 3.14Å
702	L	59	Low	69.2	Low	130 Å²	130	71.8 Å²	71.8	68%	0.681	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-98	-4.5	-171.6	-60.8	172.4	0	0	0	113.7	A699 V700	A699-L702 HydrophobicContact CB-CD1 4.18Å; A699-L702 WeakPolarHBondContact O-CB 3.47Å; A699-L702 PolarHBondContact O-N 2.99Å; V700-L702 PolarHBondContact O-N 2.93Å; V700-L702 VanDerWaalsContact O-N 3.11Å
703	C	59.3	Low	69.8	Low	18 Å²	18	68.9 Å²	68.9	12%	0.122	38%	0.382	C	S	.	.			trans	-137.5	54.2	-172.3	-72.5	0	0	0	0	114.8	L695 V700 K705 Q706 N707	L695-C703 HydrophobicContact CD1-CB 4.47Å; V700-C703 PolarHBondContact O-N 2.76Å; C703-K705 PolarHBondContact O-N 3.02Å; C703-Q706 PolarHBondContact O-N 3.35Å; C703-N707 PolarHBondContact O-N 3.14Å
704	P	63.5	Low	71	Confident	88 Å²	88	66.5 Å²	66.5	57%	0.571	37%	0.371	S	S	*	.	H	α-helix	trans	-61.8	-38.9	179.7	24	-32.5	0	0	0	113	Q706 N707 V708	P704-Q706 PolarHBondContact O-N 2.88Å; P704-N707 PolarHBondContact O-N 3.01Å; P704-V708 WeakPolarHBondContact O-CG2 3.35Å; P704-V708 PolarHBondContact O-N 2.96Å
705	K	63.3	Low	72.4	Confident	180 Å²	180	63.9 Å²	63.9	78%	0.783	36%	0.361	S	S	*	.	H	α-helix	trans	-64.4	-38.4	-178.3	-69.7	-173.4	176.2	-176.9	0	113.9	C703 V708 T709	C703-K705 PolarHBondContact O-N 3.02Å; K705-V708 PolarHBondContact O-N 3.22Å; K705-T709 PolarHBondContact O-N 2.91Å
706	Q	65.1	Low	73.8	Confident	65 Å²	65	66.3 Å²	66.3	30%	0.304	37%	0.372	S	S	.	.	H	α-helix	trans	-77.2	-27	179.7	-68.5	171.3	2.8	0	0	112	L695 C703 P704 V708 T709 A710	L695-Q706 HydrophobicContact CD1-CB 3.43Å; L695-Q706 VanDerWaalsContact CD1-CB 3.43Å; C703-Q706 PolarHBondContact O-N 3.35Å; P704-Q706 PolarHBondContact O-N 2.88Å; Q706-V708 VanDerWaalsContact C-N 3.3Å; Q706-T709 WeakPolarHBondContact CA-OG1 3.48Å; Q706-T709 PolarHBondContact O-OG1 3.42Å; Q706-A710 PolarHBondContact O-N 3.33Å
707	N	72.4	Confident	74.9	Confident	10 Å²	10	65.5 Å²	65.5	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-67.7	-34.3	172	-86.7	-43.2	0	0	0	111.3	L695 C703 P704 T711 T757	L695-N707 HydrophobicContact CD1-CB 4.25Å; L695-N707 VanDerWaalsContact CD1-N 3.33Å; L695-N707 WeakPolarHBondContact CD1-OD1 3.42Å; L695-N707 WeakPolarHBondContact CD2-OD1 3.38Å; C703-N707 PolarHBondContact O-N 3.14Å; P704-N707 PolarHBondContact O-N 3.01Å; N707-T711 WeakPolarHBondContact O-CB 3.46Å; N707-T711 PolarHBondContact O-N 3.06Å; N707-T711 PolarHBondContact O-OG1 2.91Å; N707-T757 HydrophobicContact CB-CG2 4.39Å
708	V	76.5	Confident	76.1	Confident	100 Å²	100	59.8 Å²	59.8	61%	0.606	34%	0.338	S	S	*	.	H	α-helix	trans	-66.7	-41.3	178.1	175.1	0	0	0	0	111.2	P704 K705 Q706 T711 A712	P704-V708 WeakPolarHBondContact O-CG2 3.35Å; P704-V708 PolarHBondContact O-N 2.96Å; K705-V708 PolarHBondContact O-N 3.22Å; Q706-V708 VanDerWaalsContact C-N 3.3Å; V708-T711 PolarHBondContact O-N 3.39Å; V708-A712 WeakPolarHBondContact O-CB 3.25Å; V708-A712 PolarHBondContact O-N 2.94Å
709	T	81.8	Confident	77.4	Confident	73 Å²	73	60.4 Å²	60.4	45%	0.448	34%	0.34	S	S	.	.	H	α-helix	trans	-64.5	-46.2	177.2	46.5	0	0	0	0	112.1	E693 K705 Q706 T711 A712 A713	E693-T709 PolarHBondContact OE1-OG1 3.31Å; K705-T709 PolarHBondContact O-N 2.91Å; Q706-T709 WeakPolarHBondContact CA-OG1 3.48Å; Q706-T709 PolarHBondContact O-OG1 3.42Å; T709-T711 VanDerWaalsContact C-N 3.34Å; T709-T711 PolarHBondContact O-N 3.48Å; T709-A712 PolarHBondContact O-N 3.2Å; T709-A713 WeakPolarHBondContact O-CB 3.44Å; T709-A713 PolarHBondContact O-N 2.99Å
710	A	83	Confident	78.8	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-36.3	176.5	0	0	0	0	0	112.8	A690 L695 Q706 A713 A714 L753	A690-A710 HydrophobicContact CB-CB 4.36Å; L695-A710 HydrophobicContact CD2-CB 4.44Å; Q706-A710 PolarHBondContact O-N 3.33Å; A710-A713 PolarHBondContact O-N 2.94Å; A710-A714 PolarHBondContact O-N 2.96Å; A710-L753 HydrophobicContact CB-CD1 3.78Å; A710-L753 HydrophobicContact CB-CD2 4.01Å
711	T	85.6	Confident	80.5	Confident	40 Å²	40	56.5 Å²	56.5	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-43.4	176.8	-55.8	0	0	0	0	111.3	N707 V708 T709 A713 A714 Q715	N707-T711 WeakPolarHBondContact O-CB 3.46Å; N707-T711 PolarHBondContact O-N 3.06Å; N707-T711 PolarHBondContact O-OG1 2.91Å; V708-T711 PolarHBondContact O-N 3.39Å; T709-T711 VanDerWaalsContact C-N 3.34Å; T709-T711 PolarHBondContact O-N 3.48Å; T711-A713 VanDerWaalsContact C-N 3.33Å; T711-A713 PolarHBondContact O-N 3.27Å; T711-A714 PolarHBondContact O-N 3.31Å; T711-Q715 PolarHBondContact O-N 2.85Å
712	A	88.1	Confident	82.1	Confident	47 Å²	47	53.5 Å²	53.5	39%	0.388	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-39.5	174.3	0	0	0	0	0	111.7	V708 T709 Q715 Q716	V708-A712 WeakPolarHBondContact O-CB 3.25Å; V708-A712 PolarHBondContact O-N 2.94Å; T709-A712 PolarHBondContact O-N 3.2Å; A712-Q715 PolarHBondContact O-N 2.71Å; A712-Q716 WeakPolarHBondContact O-CB 3.37Å; A712-Q716 PolarHBondContact O-N 3.49Å
713	A	89.8	Confident	83.7	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	26%	0.264	C	S	.	.	H	α-helix	trans	-62.2	-42.8	174.6	0	0	0	0	0	111.9	A690 T709 A710 T711 Q716 I717	A690-A713 HydrophobicContact CB-CB 4.5Å; T709-A713 WeakPolarHBondContact O-CB 3.44Å; T709-A713 PolarHBondContact O-N 2.99Å; A710-A713 PolarHBondContact O-N 2.94Å; T711-A713 VanDerWaalsContact C-N 3.33Å; T711-A713 PolarHBondContact O-N 3.27Å; A713-Q716 PolarHBondContact O-N 3.47Å; A713-I717 WeakPolarHBondContact O-CD1 3.48Å; A713-I717 VanDerWaalsContact O-CG1 3.22Å; A713-I717 WeakPolarHBondContact O-CG1 3.38Å; A713-I717 PolarHBondContact O-N 2.89Å
714	A	90.9	Very high	85.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-44.5	176.1	0	0	0	0	0	112	A710 T711 I717 L718 L749 Q750	A710-A714 PolarHBondContact O-N 2.96Å; T711-A714 PolarHBondContact O-N 3.31Å; A714-I717 PolarHBondContact O-N 3.5Å; A714-L718 WeakPolarHBondContact O-CG 3.36Å; A714-L718 PolarHBondContact O-N 2.89Å; A714-L718 VanDerWaalsContact O-N 3.1Å; A714-L749 HydrophobicContact CB-CD2 3.98Å; A714-L749 HydrophobicContact CB-CG 4.21Å; A714-Q750 HydrophobicContact CB-CB 4.4Å
715	Q	90.8	Very high	86.7	Confident	99 Å²	99	47 Å²	47	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-61.7	-45	175.3	-72.8	175.9	-24.2	0	0	111.8	T711 A712 I717 L718 E719	T711-Q715 PolarHBondContact O-N 2.85Å; A712-Q715 PolarHBondContact O-N 2.71Å; Q715-I717 PolarHBondContact O-N 3.16Å; Q715-L718 WeakPolarHBondContact O-CB 3.4Å; Q715-L718 PolarHBondContact O-N 3.32Å; Q715-L718 VanDerWaalsContact O-N 3.16Å; Q715-E719 PolarHBondContact O-N 2.91Å
716	Q	93.5	Very high	88	Confident	56 Å²	56	41.6 Å²	41.6	26%	0.262	22%	0.216	S	C	.	.	H	α-helix	trans	-61.3	-42.2	177.1	-175.9	170.1	21.1	0	0	112	L686 A712 A713 L718 E719 E720	L686-Q716 HydrophobicContact CD1-CB 4.3Å; L686-Q716 HydrophobicContact CD1-CG 3.86Å; A712-Q716 WeakPolarHBondContact O-CB 3.37Å; A712-Q716 PolarHBondContact O-N 3.49Å; A713-Q716 PolarHBondContact O-N 3.47Å; Q716-L718 VanDerWaalsContact C-N 3.3Å; Q716-L718 PolarHBondContact O-N 3.01Å; Q716-E719 PolarHBondContact O-N 3.28Å; Q716-E720 HydrophobicContact CG-CG 4.26Å; Q716-E720 WeakPolarHBondContact O-CB 3.48Å; Q716-E720 VanDerWaalsContact O-CG 3.3Å; Q716-E720 WeakPolarHBondContact O-CG 3.36Å; Q716-E720 PolarHBondContact O-N 2.97Å
717	I	94.6	Very high	89.3	Confident	1 Å²	1	39 Å²	39	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-41	176.1	-64.3	159	0	0	0	110.4	C683 L686 L687 A713 A714 Q715 E720 T721 V742 A746	C683-I717 HydrophobicContact CB-CG2 4.12Å; L686-I717 HydrophobicContact CB-CD1 3.94Å; L686-I717 HydrophobicContact CB-CG1 3.91Å; L686-I717 HydrophobicContact CD1-CG1 4.24Å; L687-I717 HydrophobicContact CB-CD1 4.05Å; A713-I717 WeakPolarHBondContact O-CD1 3.48Å; A713-I717 VanDerWaalsContact O-CG1 3.22Å; A713-I717 WeakPolarHBondContact O-CG1 3.38Å; A713-I717 PolarHBondContact O-N 2.89Å; A714-I717 PolarHBondContact O-N 3.5Å; Q715-I717 PolarHBondContact O-N 3.16Å; I717-E720 PolarHBondContact O-N 2.89Å; I717-T721 HydrophobicContact CG2-CG2 4.13Å; I717-T721 WeakPolarHBondContact O-CB 3.5Å; I717-T721 WeakPolarHBondContact O-CG2 3.14Å; I717-T721 PolarHBondContact O-N 2.99Å; I717-T721 PolarHBondContact O-OG1 3.33Å; I717-V742 HydrophobicContact CG2-CG1 3.88Å; I717-A746 HydrophobicContact CB-CB 3.94Å; I717-A746 HydrophobicContact CG2-CB 3.61Å
718	L	92.8	Very high	90.3	Very high	22 Å²	22	39.3 Å²	39.3	12%	0.115	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-49.9	176.7	-68	173.3	0	0	0	111.5	A714 Q715 Q716 E720 T721 Y722 R743 A746 K747	A714-L718 WeakPolarHBondContact O-CG 3.36Å; A714-L718 PolarHBondContact O-N 2.89Å; A714-L718 VanDerWaalsContact O-N 3.1Å; Q715-L718 WeakPolarHBondContact O-CB 3.4Å; Q715-L718 PolarHBondContact O-N 3.32Å; Q715-L718 VanDerWaalsContact O-N 3.16Å; Q716-L718 VanDerWaalsContact C-N 3.3Å; Q716-L718 PolarHBondContact O-N 3.01Å; L718-E720 PolarHBondContact O-N 3.37Å; L718-T721 PolarHBondContact O-N 3.37Å; L718-T721 PolarHBondContact O-OG1 3.02Å; L718-Y722 WeakPolarHBondContact O-CD2 3.36Å; L718-Y722 PolarHBondContact O-N 3.32Å; L718-Y722 VanDerWaalsContact O-N 3.08Å; L718-R743 HydrophobicContact CD2-CG 3.77Å; L718-A746 HydrophobicContact CD2-CB 3.76Å; L718-A746 HydrophobicContact CG-CB 4.01Å; L718-K747 HydrophobicContact CD2-CG 3.7Å
719	E	91.7	Very high	90.9	Very high	116 Å²	116	35.3 Å²	35.3	54%	0.542	18%	0.181	S	C	.	.	H	α-helix	trans	-57.8	-48.2	177.1	-71	175.5	-168.7	0	0	112.2	Q715 Q716 T721 Y722 K723	Q715-E719 PolarHBondContact O-N 2.91Å; Q716-E719 PolarHBondContact O-N 3.28Å; E719-T721 VanDerWaalsContact C-N 3.35Å; E719-T721 PolarHBondContact O-N 2.89Å; E719-Y722 PolarHBondContact O-N 3.17Å; E719-K723 WeakPolarHBondContact O-CG 3.5Å; E719-K723 PolarHBondContact O-N 3.37Å
720	E	94.4	Very high	91.2	Very high	21 Å²	21	33.7 Å²	33.7	10%	0.098	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-35.1	179	-66.5	-56	150.9	0	0	112.1	T679 C683 Q716 I717 L718 Y722 K723 L724	T679-E720 HydrophobicContact CG2-CB 4Å; T679-E720 HydrophobicContact CG2-CG 4.32Å; T679-E720 WeakPolarHBondContact CG2-OE2 3.32Å; C683-E720 VanDerWaalsContact SG-CB 3.51Å; Q716-E720 HydrophobicContact CG-CG 4.26Å; Q716-E720 WeakPolarHBondContact O-CB 3.48Å; Q716-E720 VanDerWaalsContact O-CG 3.3Å; Q716-E720 WeakPolarHBondContact O-CG 3.36Å; Q716-E720 PolarHBondContact O-N 2.97Å; I717-E720 PolarHBondContact O-N 2.89Å; L718-E720 PolarHBondContact O-N 3.37Å; E720-Y722 VanDerWaalsContact C-N 3.34Å; E720-Y722 PolarHBondContact O-N 3.26Å; E720-K723 PolarHBondContact O-N 3.27Å; E720-K723 IonicContact OE1-NZ 2.71Å; E720-K723 PolarHBondContact OE1-NZ 3.01Å; E720-K723 WeakPolarHBondContact OE2-CD 3.47Å; E720-K723 IonicContact OE2-NZ 3.84Å; E720-L724 WeakPolarHBondContact O-CB 3.29Å; E720-L724 VanDerWaalsContact O-CG 3.28Å; E720-L724 WeakPolarHBondContact O-CG 3.39Å; E720-L724 PolarHBondContact O-N 3.34Å
721	T	94.6	Very high	91.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-34.1	173.7	62.1	0	0	0	0	112.6	I717 L718 E719 E725 I739 V742 R743	I717-T721 HydrophobicContact CG2-CG2 4.13Å; I717-T721 WeakPolarHBondContact O-CB 3.5Å; I717-T721 WeakPolarHBondContact O-CG2 3.14Å; I717-T721 PolarHBondContact O-N 2.99Å; I717-T721 PolarHBondContact O-OG1 3.33Å; L718-T721 PolarHBondContact O-N 3.37Å; L718-T721 PolarHBondContact O-OG1 3.02Å; E719-T721 VanDerWaalsContact C-N 3.35Å; E719-T721 PolarHBondContact O-N 2.89Å; T721-E725 PolarHBondContact O-N 2.84Å; T721-I739 HydrophobicContact CG2-CG2 4.44Å; T721-I739 WeakPolarHBondContact O-CG2 3.5Å; T721-V742 HydrophobicContact CG2-CB 4.27Å; T721-V742 HydrophobicContact CG2-CG1 3.97Å; T721-R743 VanDerWaalsContact C-NH2 3.35Å; T721-R743 HydrophobicContact CG2-CB 4.29Å; T721-R743 PolarHBondContact O-NH2 2.96Å; T721-R743 PolarHBondContact OG1-NE 2.91Å; T721-R743 VanDerWaalsContact OG1-NE 3.14Å
722	Y	92.9	Very high	91.9	Very high	46 Å²	46	38 Å²	38	18%	0.18	20%	0.198	C	C	.	.	H	α-helix	trans	-69	-39.7	173.2	-71.8	-58.8	0	0	0	111.4	L718 E719 E720 E725 F726 Y934	L718-Y722 WeakPolarHBondContact O-CD2 3.36Å; L718-Y722 PolarHBondContact O-N 3.32Å; L718-Y722 VanDerWaalsContact O-N 3.08Å; E719-Y722 PolarHBondContact O-N 3.17Å; E720-Y722 VanDerWaalsContact C-N 3.34Å; E720-Y722 PolarHBondContact O-N 3.26Å; Y722-E725 PolarHBondContact O-N 3.12Å; Y722-F726 HydrophobicContact CD1-CD2 4.34Å; Y722-F726 AromaticContact CD1-CE2 3.97Å; Y722-F726 HydrophobicContact CD1-CE2 3.97Å; Y722-F726 WeakPolarHBondContact O-CD2 3.5Å; Y722-F726 PolarHBondContact O-N 3.31Å; Y722-Y934 HydrophobicContact CD1-CD2 4.39Å; Y722-Y934 AromaticContact CD1-CE2 3.6Å; Y722-Y934 HydrophobicContact CD1-CE2 3.6Å; Y722-Y934 HydrophobicContact CE1-CE2 4.09Å; Y722-Y934 AromaticContact CG-CE2 3.85Å; Y722-Y934 HydrophobicContact CG-CE2 3.85Å; Y722-Y934 AromaticContact CG-CZ 3.89Å
723	K	92.8	Very high	92	Very high	61 Å²	61	38.3 Å²	38.3	27%	0.265	20%	0.197	S	C	.	.	H	α-helix	trans	-59.6	-47.2	171.4	-65.9	177.5	-164.1	164.6	0	111.5	E719 E720 E725 F726 L727 Y728 I967	E719-K723 WeakPolarHBondContact O-CG 3.5Å; E719-K723 PolarHBondContact O-N 3.37Å; E720-K723 PolarHBondContact O-N 3.27Å; E720-K723 IonicContact OE1-NZ 2.71Å; E720-K723 PolarHBondContact OE1-NZ 3.01Å; E720-K723 WeakPolarHBondContact OE2-CD 3.47Å; E720-K723 IonicContact OE2-NZ 3.84Å; K723-E725 PolarHBondContact O-N 2.99Å; K723-F726 PolarHBondContact O-N 3.42Å; K723-L727 WeakPolarHBondContact O-CA 3.37Å; K723-L727 WeakPolarHBondContact O-CB 3.48Å; K723-L727 PolarHBondContact O-N 2.93Å; K723-Y728 WeakPolarHBondContact O-CD2 3.37Å; K723-I967 HydrophobicContact CG-CD1 4.43Å; K723-I967 HydrophobicContact CG-CG1 4.26Å; K723-I967 HydrophobicContact CG-CG2 3.96Å
724	L	93.8	Very high	91.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-57.9	-35.9	178.7	-74.6	169.8	0	0	0	112.7	F676 T679 F680 E720 Y728 L731 I739	F676-L724 HydrophobicContact CD2-CD2 3.38Å; F676-L724 HydrophobicContact CE2-CB 4.19Å; F676-L724 HydrophobicContact CE2-CD2 3.59Å; F676-L724 HydrophobicContact CE2-CG 4.48Å; F676-L724 HydrophobicContact CG-CD2 4.04Å; F676-L724 HydrophobicContact CZ-CD2 4.41Å; F676-L724 WeakPolarHBondContact O-CD2 3Å; T679-L724 HydrophobicContact CG2-CD1 4.21Å; T679-L724 HydrophobicContact CG2-CD2 3.92Å; T679-L724 HydrophobicContact CG2-CG 3.91Å; F680-L724 HydrophobicContact CB-CD1 4.22Å; F680-L724 HydrophobicContact CD2-CD1 4.31Å; E720-L724 WeakPolarHBondContact O-CB 3.29Å; E720-L724 VanDerWaalsContact O-CG 3.28Å; E720-L724 WeakPolarHBondContact O-CG 3.39Å; E720-L724 PolarHBondContact O-N 3.34Å; L724-Y728 HydrophobicContact CD2-CE2 4.17Å; L724-L731 VanDerWaalsContact O-CD1 3.32Å; L724-L731 WeakPolarHBondContact O-CD1 3.41Å; L724-I739 HydrophobicContact CB-CD1 3.92Å; L724-I739 HydrophobicContact CB-CG1 4.15Å; L724-I739 HydrophobicContact CB-CG2 4.26Å
725	E	92.3	Very high	91.9	Very high	37 Å²	37	43 Å²	43	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-80.2	-43.5	179.8	-178.1	171.1	-167.7	0	0	113.3	T721 Y722 K723 I739 H740 R743	T721-E725 PolarHBondContact O-N 2.84Å; Y722-E725 PolarHBondContact O-N 3.12Å; K723-E725 PolarHBondContact O-N 2.99Å; E725-I739 HydrophobicContact CB-CG2 4.33Å; E725-H740 VanDerWaalsContact CD-NE2 3.29Å; E725-H740 IonicContact OE1-CD2 3.98Å; E725-H740 IonicContact OE1-CE1 4Å; E725-H740 IonicContact OE1-NE2 3.21Å; E725-H740 PolarHBondContact OE1-NE2 2.59Å; E725-H740 IonicContact OE2-CD2 2.74Å; E725-H740 IonicContact OE2-CE1 3.42Å; E725-H740 IonicContact OE2-NE2 2.79Å; E725-H740 PolarHBondContact OE2-NE2 3.27Å; E725-H740 VanDerWaalsContact OE2-NE2 3.16Å; E725-R743 IonicContact OE2-CZ 3Å; E725-R743 IonicContact OE2-NH1 2.55Å; E725-R743 PolarHBondContact OE2-NH1 2.98Å; E725-R743 IonicContact OE2-NH2 3.78Å; E725-R743 PolarHBondContact OE2-NH2 3.37Å
726	F	91.6	Very high	92	Very high	68 Å²	68	39.7 Å²	39.7	30%	0.298	20%	0.199	S	C	.	.	H	α-helix	trans	-105.5	-21.3	-166.7	-64.9	-68.1	0	0	0	114.7	Y722 K723 L932 Y934 I967	Y722-F726 HydrophobicContact CD1-CD2 4.34Å; Y722-F726 AromaticContact CD1-CE2 3.97Å; Y722-F726 HydrophobicContact CD1-CE2 3.97Å; Y722-F726 WeakPolarHBondContact O-CD2 3.5Å; Y722-F726 PolarHBondContact O-N 3.31Å; K723-F726 PolarHBondContact O-N 3.42Å; F726-L932 WeakPolarHBondContact O-CD2 3.47Å; F726-Y934 HydrophobicContact CB-CG 4.33Å; F726-Y934 HydrophobicContact CD1-CG 4.41Å; F726-Y934 HydrophobicContact CD2-CD1 4.2Å; F726-Y934 AromaticContact CD2-CD2 3.46Å; F726-Y934 HydrophobicContact CD2-CD2 3.46Å; F726-Y934 VanDerWaalsContact CD2-CD2 3.46Å; F726-Y934 HydrophobicContact CD2-CE2 4.07Å; F726-Y934 AromaticContact CD2-CG 3.52Å; F726-Y934 HydrophobicContact CD2-CG 3.52Å; F726-Y934 AromaticContact CE2-CD2 3.35Å; F726-Y934 HydrophobicContact CE2-CD2 3.35Å; F726-Y934 AromaticContact CE2-CE2 3.99Å; F726-Y934 HydrophobicContact CE2-CE2 3.99Å; F726-Y934 AromaticContact CE2-CG 3.86Å; F726-Y934 HydrophobicContact CE2-CG 3.86Å; F726-Y934 HydrophobicContact CG-CD1 4.46Å; F726-Y934 HydrophobicContact CG-CD2 4.21Å; F726-Y934 AromaticContact CG-CG 3.83Å; F726-Y934 HydrophobicContact CG-CG 3.83Å; F726-Y934 HydrophobicContact CZ-CD2 4.02Å; F726-Y934 HydrophobicContact CZ-CG 4.43Å; F726-I967 HydrophobicContact CB-CD1 3.83Å
727	L	92.5	Very high	91.9	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.052	19%	0.187	C	C	.	.	S	Bend	trans	-82.4	-18.8	177.5	-169.3	65.6	0	0	0	112.4	K723 R836 A837 I967 F969	K723-L727 WeakPolarHBondContact O-CA 3.37Å; K723-L727 WeakPolarHBondContact O-CB 3.48Å; K723-L727 PolarHBondContact O-N 2.93Å; L727-R836 HydrophobicContact CD2-CG 4.24Å; L727-R836 HydrophobicContact CG-CG 4.18Å; L727-A837 HydrophobicContact CD1-CB 4.17Å; L727-A837 VanDerWaalsContact O-CB 3.23Å; L727-A837 WeakPolarHBondContact O-CB 3.25Å; L727-A837 PolarHBondContact O-N 2.89Å; L727-I967 HydrophobicContact CD1-CG2 4.14Å; L727-F969 HydrophobicContact CD1-CB 3.57Å
728	Y	92.6	Very high	91.8	Very high	16 Å²	16	37.7 Å²	37.7	6%	0.063	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.6	-174.5	-63.5	-90.1	0	0	0	111.2	G672 D675 F676 K723 L724 I834 H835 R836	G672-Y728 WeakPolarHBondContact O-CE1 3.46Å; D675-Y728 PolarHBondContact OD2-OH 2.71Å; F676-Y728 HydrophobicContact CB-CD1 4.08Å; F676-Y728 HydrophobicContact CB-CE1 3.69Å; F676-Y728 HydrophobicContact CD2-CD1 4.04Å; F676-Y728 AromaticContact CD2-CD2 3.77Å; F676-Y728 HydrophobicContact CD2-CD2 3.77Å; F676-Y728 HydrophobicContact CD2-CE1 4.24Å; F676-Y728 AromaticContact CD2-CE2 3.99Å; F676-Y728 HydrophobicContact CD2-CE2 3.99Å; F676-Y728 AromaticContact CD2-CG 3.78Å; F676-Y728 HydrophobicContact CD2-CG 3.78Å; F676-Y728 HydrophobicContact CE2-CD2 4.43Å; F676-Y728 HydrophobicContact CE2-CG 4.5Å; F676-Y728 HydrophobicContact CG-CD1 4.49Å; F676-Y728 HydrophobicContact CG-CE1 4.47Å; F676-Y728 PolarHBondContact N-OH 3.36Å; K723-Y728 WeakPolarHBondContact O-CD2 3.37Å; L724-Y728 HydrophobicContact CD2-CE2 4.17Å; Y728-I834 HydrophobicContact CD1-CG2 3.68Å; Y728-I834 HydrophobicContact CE1-CG2 4.5Å; Y728-I834 HydrophobicContact CG-CG2 4.36Å; Y728-H835 CarbonylContact C-O 3.29Å; Y728-H835 WeakPolarHBondContact CA-O 3.41Å; Y728-R836 HydrophobicContact CD1-CB 3.94Å; Y728-R836 HydrophobicContact CD1-CG 4.39Å; Y728-R836 HydrophobicContact CE1-CB 3.72Å; Y728-R836 HydrophobicContact CE1-CG 3.96Å
729	S	89.8	Confident	91.9	Very high	16 Å²	16	36.7 Å²	36.7	11%	0.112	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	157.2	172.5	58.5	0	0	0	0	110.5	H835	S729-H835 PolarHBondContact N-O 3.15Å; S729-H835 PolarHBondContact O-N 3.36Å; S729-H835 VanDerWaalsContact O-N 3.12Å; S729-H835 PolarHBondContact OG-O 3.28Å
730	G	88.3	Confident	91.9	Very high	40 Å²	40	32.6 Å²	32.6	41%	0.412	17%	0.166	S	C	.	.	S	Bend	trans	85.7	16.1	-176.4	0	0	0	0	0	114.7	P831	G730-P831 WeakPolarHBondContact O-CG 3.17Å
731	L	90.4	Very high	91.9	Very high	36 Å²	36	31.6 Å²	31.6	19%	0.188	16%	0.162	C	C	.	.			trans	-77.5	132.7	175	-57.8	177.8	0	0	0	110.8	F676 L724 Q735 V736 I739 I834	F676-L731 HydrophobicContact CD2-CD2 4.4Å; F676-L731 HydrophobicContact CE1-CD2 4.43Å; F676-L731 HydrophobicContact CE2-CD1 4.42Å; F676-L731 HydrophobicContact CE2-CD2 3.63Å; F676-L731 HydrophobicContact CZ-CD2 3.66Å; L724-L731 VanDerWaalsContact O-CD1 3.32Å; L724-L731 WeakPolarHBondContact O-CD1 3.41Å; L731-Q735 HydrophobicContact CD2-CB 4.34Å; L731-V736 HydrophobicContact CB-CG2 4.01Å; L731-I739 HydrophobicContact CD1-CD1 4.14Å; L731-I834 HydrophobicContact CD2-CD1 4.16Å
732	E	91	Very high	91.8	Very high	94 Å²	94	31.6 Å²	31.6	44%	0.439	16%	0.162	S	C	.	.			trans	-86.7	165	170.7	-43	167.6	166.2	0	0	110.1	R734 Q735 V736 P831	E732-R734 PolarHBondContact O-N 2.92Å; E732-Q735 VanDerWaalsContact CA-OE1 3.24Å; E732-Q735 PolarHBondContact O-N 2.98Å; E732-Q735 PolarHBondContact O-OE1 2.94Å; E732-Q735 VanDerWaalsContact O-OE1 3.11Å; E732-V736 WeakPolarHBondContact O-CG2 3.48Å; E732-V736 PolarHBondContact O-N 3.45Å; E732-V736 VanDerWaalsContact O-N 3.15Å; E732-P831 HydrophobicContact CG-CB 4.04Å
733	S	90.3	Very high	91.9	Very high	54 Å²	54	30 Å²	30	38%	0.378	16%	0.155	S	C	.	.	H	α-helix	trans	-49.2	-36.6	177.4	-175.9	0	0	0	0	112.8	V736 A737 E785	S733-V736 PolarHBondContact O-N 3.3Å; S733-A737 WeakPolarHBondContact O-CB 3.26Å; S733-A737 PolarHBondContact O-N 3.42Å; S733-E785 WeakPolarHBondContact OG-CG 3.48Å; S733-E785 PolarHBondContact OG-OE1 3.4Å
734	R	89.5	Confident	91.9	Very high	105 Å²	105	27.5 Å²	27.5	40%	0.396	15%	0.145	S	C	.	.	H	α-helix	trans	-62.8	-47.4	178	-74.7	175.5	173.9	167.6	-1.3	113.6	E732 V736 A737 T738 E785 H788	E732-R734 PolarHBondContact O-N 2.92Å; R734-V736 VanDerWaalsContact C-N 3.35Å; R734-A737 PolarHBondContact O-N 3.23Å; R734-T738 PolarHBondContact O-N 2.97Å; R734-T738 PolarHBondContact O-OG1 3.26Å; R734-E785 WeakPolarHBondContact CG-OE2 3.44Å; R734-E785 IonicContact NE-OE2 2.74Å; R734-H788 PolarHBondContact NH2-CE1 3.19Å; R734-H788 PolarHBondContact NH2-NE2 3.48Å
735	Q	90.8	Very high	91.9	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	15%	0.145	C	C	.	.	H	α-helix	trans	-69.2	-39.3	179.5	-63.7	80.9	11.8	0	0	110	L731 E732 A737 T738 I739 L828 R829	L731-Q735 HydrophobicContact CD2-CB 4.34Å; E732-Q735 VanDerWaalsContact CA-OE1 3.24Å; E732-Q735 PolarHBondContact O-N 2.98Å; E732-Q735 PolarHBondContact O-OE1 2.94Å; E732-Q735 VanDerWaalsContact O-OE1 3.11Å; Q735-A737 PolarHBondContact O-N 3.26Å; Q735-T738 PolarHBondContact O-N 3.04Å; Q735-I739 VanDerWaalsContact O-CG1 3.28Å; Q735-I739 WeakPolarHBondContact O-CG1 3.48Å; Q735-I739 PolarHBondContact O-N 3.09Å; Q735-L828 HydrophobicContact CG-CD1 4.35Å; Q735-R829 WeakPolarHBondContact CG-O 3.22Å; Q735-R829 PolarHBondContact NE2-O 3.18Å
736	V	92.1	Very high	91.9	Very high	30 Å²	30	25.8 Å²	25.8	18%	0.182	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-47.3	175	-179	0	0	0	0	110.7	L731 E732 S733 R734 T738 I739 H740 F782	L731-V736 HydrophobicContact CB-CG2 4.01Å; E732-V736 WeakPolarHBondContact O-CG2 3.48Å; E732-V736 PolarHBondContact O-N 3.45Å; E732-V736 VanDerWaalsContact O-N 3.15Å; S733-V736 PolarHBondContact O-N 3.3Å; R734-V736 VanDerWaalsContact C-N 3.35Å; V736-T738 VanDerWaalsContact C-N 3.29Å; V736-T738 PolarHBondContact O-N 3.27Å; V736-I739 PolarHBondContact O-N 3.43Å; V736-H740 PolarHBondContact O-CD2 3.19Å; V736-H740 VanDerWaalsContact O-CD2 3.28Å; V736-H740 PolarHBondContact O-N 2.87Å; V736-F782 HydrophobicContact CB-CE1 4.36Å; V736-F782 HydrophobicContact CG1-CE1 3.89Å; V736-F782 HydrophobicContact CG1-CZ 3.84Å
737	A	92.4	Very high	92	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-40	175.4	0	0	0	0	0	112.2	S733 R734 Q735 H740 H741 F782 E785	S733-A737 WeakPolarHBondContact O-CB 3.26Å; S733-A737 PolarHBondContact O-N 3.42Å; R734-A737 PolarHBondContact O-N 3.23Å; Q735-A737 PolarHBondContact O-N 3.26Å; A737-H740 PolarHBondContact O-N 3.32Å; A737-H741 WeakPolarHBondContact O-CB 3.49Å; A737-H741 PolarHBondContact O-N 3.08Å; A737-F782 HydrophobicContact CB-CB 4.24Å; A737-F782 HydrophobicContact CB-CD1 3.64Å; A737-F782 HydrophobicContact CB-CD2 4.48Å; A737-F782 HydrophobicContact CB-CE1 4.1Å; A737-F782 HydrophobicContact CB-CG 3.86Å; A737-E785 HydrophobicContact CB-CB 4.04Å; A737-E785 HydrophobicContact CB-CG 4.3Å
738	T	91.9	Very high	92	Very high	14 Å²	14	24.4 Å²	24.4	9%	0.086	13%	0.131	C	C	.	.	H	α-helix	trans	-67.4	-38.5	177.1	-52.1	0	0	0	0	111.9	F680 R734 Q735 V736 H741 V742 L826	F680-T738 HydrophobicContact CE2-CG2 3.86Å; F680-T738 HydrophobicContact CZ-CG2 3.83Å; R734-T738 PolarHBondContact O-N 2.97Å; R734-T738 PolarHBondContact O-OG1 3.26Å; Q735-T738 PolarHBondContact O-N 3.04Å; V736-T738 VanDerWaalsContact C-N 3.29Å; V736-T738 PolarHBondContact O-N 3.27Å; T738-H741 WeakPolarHBondContact O-CB 3.43Å; T738-H741 PolarHBondContact O-N 3.4Å; T738-V742 WeakPolarHBondContact O-CG2 3.36Å; T738-V742 PolarHBondContact O-N 3.25Å; T738-V742 VanDerWaalsContact O-N 3.13Å; T738-L826 HydrophobicContact CG2-CB 4.38Å
739	I	93.8	Very high	91.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-46.6	175.2	-67.1	160.5	0	0	0	110.4	F676 T721 L724 E725 L731 Q735 V736 H741 V742 R743	F676-I739 HydrophobicContact CE2-CD1 4.06Å; F676-I739 HydrophobicContact CZ-CD1 4.07Å; T721-I739 HydrophobicContact CG2-CG2 4.44Å; T721-I739 WeakPolarHBondContact O-CG2 3.5Å; L724-I739 HydrophobicContact CB-CD1 3.92Å; L724-I739 HydrophobicContact CB-CG1 4.15Å; L724-I739 HydrophobicContact CB-CG2 4.26Å; E725-I739 HydrophobicContact CB-CG2 4.33Å; L731-I739 HydrophobicContact CD1-CD1 4.14Å; Q735-I739 VanDerWaalsContact O-CG1 3.28Å; Q735-I739 WeakPolarHBondContact O-CG1 3.48Å; Q735-I739 PolarHBondContact O-N 3.09Å; V736-I739 PolarHBondContact O-N 3.43Å; I739-H741 VanDerWaalsContact C-N 3.27Å; I739-H741 PolarHBondContact O-N 3.23Å; I739-V742 PolarHBondContact O-N 3.39Å; I739-R743 PolarHBondContact O-N 2.6Å
740	H	92.9	Very high	91.9	Very high	29 Å²	29	26 Å²	26	13%	0.134	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-33.9	176.1	-84.9	-99.5	0	0	0	112.1	E725 V736 A737 R743 L744 F778 F782	E725-H740 VanDerWaalsContact CD-NE2 3.29Å; E725-H740 IonicContact OE1-CD2 3.98Å; E725-H740 IonicContact OE1-CE1 4Å; E725-H740 IonicContact OE1-NE2 3.21Å; E725-H740 PolarHBondContact OE1-NE2 2.59Å; E725-H740 IonicContact OE2-CD2 2.74Å; E725-H740 IonicContact OE2-CE1 3.42Å; E725-H740 IonicContact OE2-NE2 2.79Å; E725-H740 PolarHBondContact OE2-NE2 3.27Å; E725-H740 VanDerWaalsContact OE2-NE2 3.16Å; V736-H740 PolarHBondContact O-CD2 3.19Å; V736-H740 VanDerWaalsContact O-CD2 3.28Å; V736-H740 PolarHBondContact O-N 2.87Å; A737-H740 PolarHBondContact O-N 3.32Å; H740-R743 PolarHBondContact CD2-NH1 3.33Å; H740-R743 PolarHBondContact CE1-NH1 3.06Å; H740-R743 PolarHBondContact ND1-NH1 3.17Å; H740-R743 VanDerWaalsContact ND1-NH1 3.2Å; H740-R743 PolarHBondContact NE2-NH1 2.99Å; H740-R743 VanDerWaalsContact NE2-NH1 3.18Å; H740-R743 WeakPolarHBondContact O-CB 3.36Å; H740-R743 PolarHBondContact O-N 3.27Å; H740-L744 PolarHBondContact O-N 3.46Å; H740-F778 HydrophobicContact CB-CD2 3.85Å; H740-F778 HydrophobicContact CB-CE2 3.59Å; H740-F782 HydrophobicContact CB-CE2 3.81Å; H740-F782 HydrophobicContact CB-CZ 4.26Å; H740-F782 AromaticContact CD2-CZ 3.71Å; H740-F782 AromaticContact CG-CE2 3.72Å; H740-F782 AromaticContact CG-CZ 3.89Å
741	H	93.4	Very high	91.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-50.4	172.6	175.7	102.8	0	0	0	111.6	A737 T738 I739 R743 L744 Q745 F778 S792 F793 V794 L826	A737-H741 WeakPolarHBondContact O-CB 3.49Å; A737-H741 PolarHBondContact O-N 3.08Å; T738-H741 WeakPolarHBondContact O-CB 3.43Å; T738-H741 PolarHBondContact O-N 3.4Å; I739-H741 VanDerWaalsContact C-N 3.27Å; I739-H741 PolarHBondContact O-N 3.23Å; H741-R743 VanDerWaalsContact C-N 3.28Å; H741-R743 PolarHBondContact O-N 3.21Å; H741-L744 WeakPolarHBondContact O-CB 3.34Å; H741-L744 PolarHBondContact O-N 3.47Å; H741-L744 VanDerWaalsContact O-N 3.13Å; H741-Q745 PolarHBondContact O-N 3.45Å; H741-F778 HydrophobicContact CB-CE2 4.46Å; H741-S792 PolarHBondContact CE1-OG 2.97Å; H741-F793 PolarHBondContact CE1-N 2.96Å; H741-V794 HydrophobicContact CB-CG2 4.32Å; H741-V794 PolarHBondContact CE1-N 3.14Å; H741-V794 WeakPolarHBondContact ND1-CG2 3.24Å; H741-L826 VanDerWaalsContact CD2-CD1 3.42Å; H741-L826 WeakPolarHBondContact CD2-CD1 3.2Å; H741-L826 WeakPolarHBondContact NE2-CD1 3.36Å
742	V	93.5	Very high	91.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-63.8	-36.6	177.9	176.7	0	0	0	0	111	F680 C683 Q684 I717 T721 T738 I739 L744 Q745 A746	F680-V742 HydrophobicContact CE2-CG2 3.9Å; F680-V742 HydrophobicContact CZ-CG2 4.27Å; C683-V742 HydrophobicContact CB-CG1 4.13Å; Q684-V742 VanDerWaalsContact NE2-CG2 3.26Å; I717-V742 HydrophobicContact CG2-CG1 3.88Å; T721-V742 HydrophobicContact CG2-CB 4.27Å; T721-V742 HydrophobicContact CG2-CG1 3.97Å; T738-V742 WeakPolarHBondContact O-CG2 3.36Å; T738-V742 PolarHBondContact O-N 3.25Å; T738-V742 VanDerWaalsContact O-N 3.13Å; I739-V742 PolarHBondContact O-N 3.39Å; V742-L744 VanDerWaalsContact C-N 3.33Å; V742-L744 PolarHBondContact O-N 3Å; V742-Q745 WeakPolarHBondContact O-CB 3.34Å; V742-Q745 PolarHBondContact O-N 3.12Å; V742-A746 PolarHBondContact O-N 2.71Å
743	R	94.1	Very high	91.4	Very high	11 Å²	11	18.7 Å²	18.7	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-61	-42.2	173.2	-170	178.2	-61.9	136.5	-3.9	111.6	L718 T721 E725 I739 H740 H741 A746 K747	L718-R743 HydrophobicContact CD2-CG 3.77Å; T721-R743 VanDerWaalsContact C-NH2 3.35Å; T721-R743 HydrophobicContact CG2-CB 4.29Å; T721-R743 PolarHBondContact O-NH2 2.96Å; T721-R743 PolarHBondContact OG1-NE 2.91Å; T721-R743 VanDerWaalsContact OG1-NE 3.14Å; E725-R743 IonicContact OE2-CZ 3Å; E725-R743 IonicContact OE2-NH1 2.55Å; E725-R743 PolarHBondContact OE2-NH1 2.98Å; E725-R743 IonicContact OE2-NH2 3.78Å; E725-R743 PolarHBondContact OE2-NH2 3.37Å; I739-R743 PolarHBondContact O-N 2.6Å; H740-R743 PolarHBondContact CD2-NH1 3.33Å; H740-R743 PolarHBondContact CE1-NH1 3.06Å; H740-R743 PolarHBondContact ND1-NH1 3.17Å; H740-R743 VanDerWaalsContact ND1-NH1 3.2Å; H740-R743 PolarHBondContact NE2-NH1 2.99Å; H740-R743 VanDerWaalsContact NE2-NH1 3.18Å; H740-R743 WeakPolarHBondContact O-CB 3.36Å; H740-R743 PolarHBondContact O-N 3.27Å; H741-R743 VanDerWaalsContact C-N 3.28Å; H741-R743 PolarHBondContact O-N 3.21Å; R743-A746 PolarHBondContact O-N 2.86Å; R743-K747 WeakPolarHBondContact O-CG 3.44Å; R743-K747 PolarHBondContact O-N 3.1Å
744	L	93.3	Very high	91.1	Very high	9 Å²	9	18.8 Å²	18.8	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-64.7	-39.6	175.9	-167.3	73.9	0	0	0	111.7	H740 H741 V742 A746 K747 T748 F771 I775 F793 V794 L797	H740-L744 PolarHBondContact O-N 3.46Å; H741-L744 WeakPolarHBondContact O-CB 3.34Å; H741-L744 PolarHBondContact O-N 3.47Å; H741-L744 VanDerWaalsContact O-N 3.13Å; V742-L744 VanDerWaalsContact C-N 3.33Å; V742-L744 PolarHBondContact O-N 3Å; L744-A746 VanDerWaalsContact C-N 3.33Å; L744-A746 PolarHBondContact O-N 2.96Å; L744-K747 PolarHBondContact O-N 3.04Å; L744-T748 WeakPolarHBondContact O-CB 3.41Å; L744-T748 PolarHBondContact O-N 3.42Å; L744-T748 PolarHBondContact O-OG1 2.89Å; L744-F771 HydrophobicContact CD1-CD2 4.35Å; L744-F771 HydrophobicContact CD1-CE2 3.57Å; L744-F771 HydrophobicContact CD1-CZ 3.97Å; L744-F771 HydrophobicContact CG-CE2 4.14Å; L744-F771 HydrophobicContact CG-CZ 4.23Å; L744-I775 HydrophobicContact CD1-CG1 4.08Å; L744-I775 HydrophobicContact CD2-CG1 4.14Å; L744-F793 HydrophobicContact CD2-CE1 4.2Å; L744-F793 HydrophobicContact CG-CE1 4.29Å; L744-V794 HydrophobicContact CD2-CG2 3.61Å; L744-L797 HydrophobicContact CD2-CD1 3.83Å
745	Q	93.5	Very high	90.6	Very high	1 Å²	1	15 Å²	15	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.3	-43.8	172.5	-70.4	176.8	-54.4	0	0	111.5	L687 H741 V742 T748 L749 F793 L820 S823	L687-Q745 HydrophobicContact CD2-CB 4.03Å; L687-Q745 HydrophobicContact CD2-CG 4.45Å; H741-Q745 PolarHBondContact O-N 3.45Å; V742-Q745 WeakPolarHBondContact O-CB 3.34Å; V742-Q745 PolarHBondContact O-N 3.12Å; Q745-T748 WeakPolarHBondContact O-CB 3.4Å; Q745-T748 PolarHBondContact O-N 3.42Å; Q745-L749 WeakPolarHBondContact O-CB 3.46Å; Q745-L749 PolarHBondContact O-N 3.05Å; Q745-F793 HydrophobicContact CG-CB 4.17Å; Q745-F793 HydrophobicContact CG-CD1 3.54Å; Q745-F793 HydrophobicContact CG-CE1 4.12Å; Q745-F793 HydrophobicContact CG-CG 3.95Å; Q745-L820 HydrophobicContact CB-CD1 3.86Å; Q745-L820 HydrophobicContact CG-CD1 3.91Å; Q745-S823 PolarHBondContact NE2-OG 3.41Å
746	A	93.1	Very high	89.8	Confident	1 Å²	1	17.1 Å²	17.1	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-66.1	-42.5	177.8	0	0	0	0	0	112.9	I717 L718 V742 R743 L744 T748 L749 Q750	I717-A746 HydrophobicContact CB-CB 3.94Å; I717-A746 HydrophobicContact CG2-CB 3.61Å; L718-A746 HydrophobicContact CD2-CB 3.76Å; L718-A746 HydrophobicContact CG-CB 4.01Å; V742-A746 PolarHBondContact O-N 2.71Å; R743-A746 PolarHBondContact O-N 2.86Å; L744-A746 VanDerWaalsContact C-N 3.33Å; L744-A746 PolarHBondContact O-N 2.96Å; A746-T748 VanDerWaalsContact C-N 3.31Å; A746-T748 PolarHBondContact O-N 2.92Å; A746-L749 WeakPolarHBondContact O-CB 3.21Å; A746-L749 PolarHBondContact O-N 3.49Å; A746-Q750 PolarHBondContact O-N 3.48Å
747	K	92.7	Very high	88.8	Confident	49 Å²	49	19 Å²	19	21%	0.213	10%	0.1	C	C	.	.	H	α-helix	trans	-63.2	-38.4	173.5	-69.6	-170.4	-179.6	-178.5	0	112	L718 R743 L744 Q750 L751 F771 E774	L718-K747 HydrophobicContact CD2-CG 3.7Å; R743-K747 WeakPolarHBondContact O-CG 3.44Å; R743-K747 PolarHBondContact O-N 3.1Å; L744-K747 PolarHBondContact O-N 3.04Å; K747-Q750 PolarHBondContact O-N 3.36Å; K747-L751 WeakPolarHBondContact O-CB 3.46Å; K747-L751 PolarHBondContact O-N 3.09Å; K747-F771 HydrophobicContact CB-CD2 4.34Å; K747-F771 HydrophobicContact CB-CE2 4.19Å; K747-E774 WeakPolarHBondContact CD-OE2 3.34Å; K747-E774 IonicContact NZ-OE1 3.34Å; K747-E774 PolarHBondContact NZ-OE1 3.35Å; K747-E774 IonicContact NZ-OE2 3.74Å; K747-E774 PolarHBondContact NZ-OE2 3.41Å
748	T	92.3	Very high	87.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-48.6	173	-54.9	0	0	0	0	110.7	L744 Q745 A746 Q750 L751 V752 F771 F793 L816 L820	L744-T748 WeakPolarHBondContact O-CB 3.41Å; L744-T748 PolarHBondContact O-N 3.42Å; L744-T748 PolarHBondContact O-OG1 2.89Å; Q745-T748 WeakPolarHBondContact O-CB 3.4Å; Q745-T748 PolarHBondContact O-N 3.42Å; A746-T748 VanDerWaalsContact C-N 3.31Å; A746-T748 PolarHBondContact O-N 2.92Å; T748-Q750 VanDerWaalsContact C-N 3.32Å; T748-Q750 PolarHBondContact O-N 3.5Å; T748-L751 PolarHBondContact O-N 3.24Å; T748-V752 HydrophobicContact CG2-CG2 4.41Å; T748-V752 VanDerWaalsContact O-CG2 3.31Å; T748-V752 WeakPolarHBondContact O-CG2 3.36Å; T748-V752 PolarHBondContact O-N 2.97Å; T748-F771 WeakPolarHBondContact OG1-CE2 3.12Å; T748-F771 WeakPolarHBondContact OG1-CZ 3.4Å; T748-F793 HydrophobicContact CG2-CE2 4.46Å; T748-F793 HydrophobicContact CG2-CZ 3.76Å; T748-F793 WeakPolarHBondContact OG1-CE1 3.27Å; T748-F793 VanDerWaalsContact OG1-CZ 3.29Å; T748-F793 WeakPolarHBondContact OG1-CZ 3.48Å; T748-L816 HydrophobicContact CG2-CB 3.83Å; T748-L816 HydrophobicContact CG2-CD1 4.24Å; T748-L816 HydrophobicContact CG2-CD2 4.43Å; T748-L816 HydrophobicContact CG2-CG 4.39Å; T748-L820 HydrophobicContact CG2-CB 4.42Å; T748-L820 HydrophobicContact CG2-CD2 4.08Å
749	L	90.3	Very high	85.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.2	-44.7	177.8	-179.2	62.6	0	0	0	111.2	L687 A690 L691 W696 A714 Q745 A746 L751 V752 L753 L820	L687-L749 HydrophobicContact CD1-CD2 4.15Å; A690-L749 HydrophobicContact CB-CD2 3.75Å; L691-L749 HydrophobicContact CD2-CD1 4.4Å; W696-L749 HydrophobicContact CH2-CD1 4.47Å; W696-L749 HydrophobicContact CZ2-CD1 4.07Å; A714-L749 HydrophobicContact CB-CD2 3.98Å; A714-L749 HydrophobicContact CB-CG 4.21Å; Q745-L749 WeakPolarHBondContact O-CB 3.46Å; Q745-L749 PolarHBondContact O-N 3.05Å; A746-L749 WeakPolarHBondContact O-CB 3.21Å; A746-L749 PolarHBondContact O-N 3.49Å; L749-L751 PolarHBondContact O-N 3.31Å; L749-V752 PolarHBondContact O-N 2.98Å; L749-L753 HydrophobicContact CD1-CD1 4.11Å; L749-L753 HydrophobicContact CD1-CG 4.25Å; L749-L753 HydrophobicContact CG-CD1 3.94Å; L749-L753 HydrophobicContact CG-CG 4.48Å; L749-L753 WeakPolarHBondContact O-CB 3.22Å; L749-L753 VanDerWaalsContact O-CG 3.25Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 3.38Å; L749-L820 HydrophobicContact CB-CD2 4.08Å; L749-L820 HydrophobicContact CD1-CD2 4.4Å
750	Q	89.9	Confident	84	Confident	66 Å²	66	34.8 Å²	34.8	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-61.6	-42.1	176.3	-168	178.3	15	0	0	112.2	A714 A746 K747 T748 L753 T754	A714-Q750 HydrophobicContact CB-CB 4.4Å; A746-Q750 PolarHBondContact O-N 3.48Å; K747-Q750 PolarHBondContact O-N 3.36Å; T748-Q750 VanDerWaalsContact C-N 3.32Å; T748-Q750 PolarHBondContact O-N 3.5Å; Q750-L753 PolarHBondContact O-N 3.45Å; Q750-T754 WeakPolarHBondContact O-CB 3.35Å; Q750-T754 VanDerWaalsContact O-CG2 3.26Å; Q750-T754 WeakPolarHBondContact O-CG2 3.46Å; Q750-T754 PolarHBondContact O-N 3.36Å; Q750-T754 PolarHBondContact O-OG1 3.38Å
751	L	88.6	Confident	82.1	Confident	14 Å²	14	39.7 Å²	39.7	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-42.5	176.2	-175.5	63.3	0	0	0	111.9	K747 T748 L749 T754 A755 L763 F771 L812 L816	K747-L751 WeakPolarHBondContact O-CB 3.46Å; K747-L751 PolarHBondContact O-N 3.09Å; T748-L751 PolarHBondContact O-N 3.24Å; L749-L751 PolarHBondContact O-N 3.31Å; L751-T754 WeakPolarHBondContact CA-OG1 3.48Å; L751-T754 PolarHBondContact O-OG1 3.28Å; L751-A755 WeakPolarHBondContact O-CB 3.23Å; L751-A755 PolarHBondContact O-N 3.21Å; L751-L763 HydrophobicContact CD1-CD2 4.4Å; L751-F771 HydrophobicContact CD2-CB 4.2Å; L751-F771 HydrophobicContact CD2-CD1 4.12Å; L751-F771 HydrophobicContact CD2-CG 4.08Å; L751-L812 HydrophobicContact CD2-CD2 4.39Å; L751-L816 HydrophobicContact CD2-CD1 3.88Å
752	V	87.4	Confident	80.4	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-66.4	-42	177.7	175.6	0	0	0	0	111.5	W696 T748 L749 R756 V813 L816 Q817	W696-V752 HydrophobicContact CH2-CG1 3.6Å; W696-V752 HydrophobicContact CZ3-CG1 3.73Å; T748-V752 HydrophobicContact CG2-CG2 4.41Å; T748-V752 VanDerWaalsContact O-CG2 3.31Å; T748-V752 WeakPolarHBondContact O-CG2 3.36Å; T748-V752 PolarHBondContact O-N 2.97Å; L749-V752 PolarHBondContact O-N 2.98Å; V752-R756 PolarHBondContact O-N 3.12Å; V752-R756 VanDerWaalsContact O-N 3.08Å; V752-V813 HydrophobicContact CB-CG1 4.43Å; V752-V813 HydrophobicContact CG1-CG1 4.43Å; V752-V813 HydrophobicContact CG2-CG1 4.15Å; V752-L816 HydrophobicContact CG2-CB 4.48Å; V752-Q817 HydrophobicContact CG1-CB 4.1Å; V752-Q817 HydrophobicContact CG1-CG 4.11Å; V752-Q817 HydrophobicContact CG2-CB 4.21Å
753	L	84.4	Confident	79	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-43.3	179	-70.4	171.2	0	0	0	112.1	L695 W696 A710 L749 Q750 A755 R756 T757	L695-L753 HydrophobicContact CD2-CD2 3.84Å; W696-L753 HydrophobicContact CH2-CD2 4.49Å; A710-L753 HydrophobicContact CB-CD1 3.78Å; A710-L753 HydrophobicContact CB-CD2 4.01Å; L749-L753 HydrophobicContact CD1-CD1 4.11Å; L749-L753 HydrophobicContact CD1-CG 4.25Å; L749-L753 HydrophobicContact CG-CD1 3.94Å; L749-L753 HydrophobicContact CG-CG 4.48Å; L749-L753 WeakPolarHBondContact O-CB 3.22Å; L749-L753 VanDerWaalsContact O-CG 3.25Å; L749-L753 WeakPolarHBondContact O-CG 3.31Å; L749-L753 PolarHBondContact O-N 3.38Å; Q750-L753 PolarHBondContact O-N 3.45Å; L753-A755 PolarHBondContact O-N 3.27Å; L753-R756 PolarHBondContact O-N 3.39Å; L753-T757 PolarHBondContact O-N 2.98Å; L753-T757 PolarHBondContact O-OG1 2.71Å
754	T	82.2	Confident	77.6	Confident	56 Å²	56	51.3 Å²	51.3	34%	0.344	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-43.3	176.5	49.6	0	0	0	0	111.6	Q750 L751 R756 T757 R758	Q750-T754 WeakPolarHBondContact O-CB 3.35Å; Q750-T754 VanDerWaalsContact O-CG2 3.26Å; Q750-T754 WeakPolarHBondContact O-CG2 3.46Å; Q750-T754 PolarHBondContact O-N 3.36Å; Q750-T754 PolarHBondContact O-OG1 3.38Å; L751-T754 WeakPolarHBondContact CA-OG1 3.48Å; L751-T754 PolarHBondContact O-OG1 3.28Å; T754-R756 VanDerWaalsContact C-N 3.3Å; T754-R756 PolarHBondContact O-N 3.08Å; T754-T757 PolarHBondContact O-N 3.32Å; T754-T757 PolarHBondContact O-OG1 2.9Å; T754-R758 PolarHBondContact O-N 3.31Å
755	A	79.3	Confident	76.6	Confident	24 Å²	24	55.8 Å²	55.8	20%	0.198	31%	0.314	C	S	.	.	H	α-helix	trans	-62.6	-33.6	174.8	0	0	0	0	0	113.4	L751 L753 L763 V813	L751-A755 WeakPolarHBondContact O-CB 3.23Å; L751-A755 PolarHBondContact O-N 3.21Å; L753-A755 PolarHBondContact O-N 3.27Å; A755-L763 HydrophobicContact CB-CD1 3.7Å; A755-L763 HydrophobicContact CB-CD2 4.23Å; A755-V813 HydrophobicContact CB-CG1 3.86Å; A755-V813 HydrophobicContact CB-CG2 4.06Å
756	R	75.1	Confident	75.9	Confident	49 Å²	49	57.3 Å²	57.3	19%	0.185	33%	0.33	C	S	.	.	H	α-helix	trans	-69.9	-43.7	175.4	-83	-178.1	153.9	-141.6	-10.1	112.6	L695 W696 V700 V752 L753 T754 R758	L695-R756 PolarHBondContact O-NH1 2.97Å; W696-R756 VanDerWaalsContact CE3-NH1 3.3Å; V700-R756 WeakPolarHBondContact CG1-O 3.16Å; V700-R756 HydrophobicContact CG2-CB 4.2Å; V700-R756 HydrophobicContact CG2-CG 4.33Å; V752-R756 PolarHBondContact O-N 3.12Å; V752-R756 VanDerWaalsContact O-N 3.08Å; L753-R756 PolarHBondContact O-N 3.39Å; T754-R756 VanDerWaalsContact C-N 3.3Å; T754-R756 PolarHBondContact O-N 3.08Å; R756-R758 VanDerWaalsContact C-N 3.32Å; R756-R758 PolarHBondContact O-N 3.25Å
757	T	71.7	Confident	75.4	Confident	70 Å²	70	59.8 Å²	59.8	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-71.6	-17.2	-174	53.4	0	0	0	0	115.6	N707 L753 T754 P759	N707-T757 HydrophobicContact CB-CG2 4.39Å; L753-T757 PolarHBondContact O-N 2.98Å; L753-T757 PolarHBondContact O-OG1 2.71Å; T754-T757 PolarHBondContact O-N 3.32Å; T754-T757 PolarHBondContact O-OG1 2.9Å; T757-P759 WeakPolarHBondContact O-CD 3.39Å
758	R	67.6	Low	74.9	Confident	156 Å²	156	57.7 Å²	57.7	59%	0.589	34%	0.339	S	S	*	.			trans	-112.8	66.6	-179.7	-63.8	-178	179.4	-178.2	-0.1	112.5	T754 R756 G760	T754-R758 PolarHBondContact O-N 3.31Å; R756-R758 VanDerWaalsContact C-N 3.32Å; R756-R758 PolarHBondContact O-N 3.25Å; R758-G760 PolarHBondContact O-N 2.9Å; R758-G760 VanDerWaalsContact O-N 3.09Å
759	P	54.4	Low	74.6	Confident	107 Å²	107	62.9 Å²	62.9	70%	0.695	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	106.7	174.6	28.3	-30.2	0	0	0	109.7	T757	T757-P759 WeakPolarHBondContact O-CD 3.39Å
760	G	55.1	Low	74.4	Confident	84 Å²	84	69.5 Å²	69.5	87%	0.866	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.3	-1.8	170.2	0	0	0	0	0	117.1	R758	R758-G760 PolarHBondContact O-N 2.9Å; R758-G760 VanDerWaalsContact O-N 3.09Å
761	L	52.8	Low	74.4	Confident	132 Å²	132	66.7 Å²	66.7	69%	0.691	38%	0.378	S	S	*	.	S	Bend	trans	-112.3	129.2	168.4	-144.2	77.7	0	0	0	107.6	L763	L761-L763 PolarHBondContact O-N 3.47Å; L761-L763 VanDerWaalsContact O-N 3.11Å
762	D	57.7	Low	74.5	Confident	159 Å²	159	66.9 Å²	66.9	85%	0.85	38%	0.379	S	S	*	.			trans	-47.3	122.1	179.2	-71.1	-41	0	0	0	109.9	P764	D762-P764 WeakPolarHBondContact O-CD 3.45Å; D762-P764 VanDerWaalsContact O-N 3.13Å
763	L	64.2	Low	74.6	Confident	35 Å²	35	72.3 Å²	72.3	18%	0.183	41%	0.405	C	S	.	.			trans	-54.9	122.9	169.5	-167.4	76.6	0	0	0	106	L751 A755 L761 I765 C768 P809 V813	L751-L763 HydrophobicContact CD1-CD2 4.4Å; A755-L763 HydrophobicContact CB-CD1 3.7Å; A755-L763 HydrophobicContact CB-CD2 4.23Å; L761-L763 PolarHBondContact O-N 3.47Å; L761-L763 VanDerWaalsContact O-N 3.11Å; L763-I765 PolarHBondContact O-N 3.22Å; L763-C768 VanDerWaalsContact CD2-SG 3.54Å; L763-P809 HydrophobicContact CD2-CB 4.41Å; L763-V813 HydrophobicContact CD2-CG2 3.84Å
764	P	65.1	Low	74.8	Confident	62 Å²	62	75.2 Å²	75.2	40%	0.403	42%	0.418	S	S	.	.			trans	-58.9	114.8	-175.3	20.9	-31.2	0	0	0	108.1	D762 G766 S767	D762-P764 WeakPolarHBondContact O-CD 3.45Å; D762-P764 VanDerWaalsContact O-N 3.13Å; P764-G766 PolarHBondContact O-N 3.47Å; P764-S767 WeakPolarHBondContact O-CB 3.34Å; P764-S767 PolarHBondContact O-N 3.31Å
765	I	72.3	Confident	75.2	Confident	104 Å²	104	72.6 Å²	72.6	53%	0.533	40%	0.402	S	S	.	.	H	α-helix	trans	-50	-36.5	-178.1	-66.9	169	0	0	0	110.2	L763 S767 C768 E769 P809	L763-I765 PolarHBondContact O-N 3.22Å; I765-S767 VanDerWaalsContact C-N 3.27Å; I765-S767 PolarHBondContact O-N 3.4Å; I765-C768 PolarHBondContact O-N 3.24Å; I765-C768 VanDerWaalsContact O-N 3.09Å; I765-E769 HydrophobicContact CG2-CG 4.11Å; I765-E769 WeakPolarHBondContact CG2-OE1 3.45Å; I765-E769 PolarHBondContact O-N 3.03Å; I765-P809 HydrophobicContact CG1-CG 4.29Å
766	G	77.6	Confident	75.7	Confident	33 Å²	33	75 Å²	75	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-58.6	-26.6	175.2	0	0	0	0	0	115.6	P764 K770	P764-G766 PolarHBondContact O-N 3.47Å; G766-K770 VanDerWaalsContact O-CB 3.27Å; G766-K770 WeakPolarHBondContact O-CB 3.47Å; G766-K770 WeakPolarHBondContact O-CD 3.17Å; G766-K770 WeakPolarHBondContact O-CG 3.49Å; G766-K770 PolarHBondContact O-N 3.41Å
767	S	82	Confident	76.4	Confident	52 Å²	52	73.4 Å²	73.4	36%	0.364	41%	0.405	S	S	.	.	H	α-helix	trans	-73.5	-37.6	174	-71	0	0	0	0	112.2	P764 I765 F771	P764-S767 WeakPolarHBondContact O-CB 3.34Å; P764-S767 PolarHBondContact O-N 3.31Å; I765-S767 VanDerWaalsContact C-N 3.27Å; I765-S767 PolarHBondContact O-N 3.4Å; S767-F771 WeakPolarHBondContact O-CB 3.29Å; S767-F771 PolarHBondContact O-N 3.29Å; S767-F771 VanDerWaalsContact O-N 3.12Å
768	C	83.8	Confident	77.3	Confident	6 Å²	6	70.4 Å²	70.4	4%	0.041	39%	0.386	C	S	.	.	H	α-helix	trans	-70.6	-42.6	174.3	-68	0	0	0	0	111.3	L763 I765 F771 L772 L812	L763-C768 VanDerWaalsContact CD2-SG 3.54Å; I765-C768 PolarHBondContact O-N 3.24Å; I765-C768 VanDerWaalsContact O-N 3.09Å; C768-F771 PolarHBondContact O-N 2.99Å; C768-L772 WeakPolarHBondContact O-CG 3.38Å; C768-L772 PolarHBondContact O-N 2.87Å; C768-L812 HydrophobicContact CB-CD1 4.45Å
769	E	85.3	Confident	78.5	Confident	108 Å²	108	66.6 Å²	66.6	51%	0.505	38%	0.375	S	S	.	.	H	α-helix	trans	-61.7	-44.5	175.9	-71.4	176.3	169.3	0	0	111.9	I765 F771 L772 Q773	I765-E769 HydrophobicContact CG2-CG 4.11Å; I765-E769 WeakPolarHBondContact CG2-OE1 3.45Å; I765-E769 PolarHBondContact O-N 3.03Å; E769-F771 VanDerWaalsContact C-N 3.32Å; E769-F771 PolarHBondContact O-N 3.32Å; E769-L772 PolarHBondContact O-N 3.47Å; E769-Q773 WeakPolarHBondContact O-CG 3.38Å; E769-Q773 PolarHBondContact O-N 3.45Å
770	K	86.9	Confident	80.1	Confident	139 Å²	139	69.8 Å²	69.8	60%	0.604	37%	0.374	S	S	*	.	H	α-helix	trans	-58.1	-44.3	173.7	-78.9	174.8	-178	-171.8	0	111.7	G766 Q773 E774	G766-K770 VanDerWaalsContact O-CB 3.27Å; G766-K770 WeakPolarHBondContact O-CB 3.47Å; G766-K770 WeakPolarHBondContact O-CD 3.17Å; G766-K770 WeakPolarHBondContact O-CG 3.49Å; G766-K770 PolarHBondContact O-N 3.41Å; K770-Q773 PolarHBondContact O-N 3.48Å; K770-E774 WeakPolarHBondContact O-CG 3.4Å; K770-E774 PolarHBondContact O-N 2.87Å
771	F	89.6	Confident	81.7	Confident	8 Å²	8	69.6 Å²	69.6	4%	0.035	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-39.5	178.2	-179.6	-102.8	0	0	0	112.4	L744 K747 T748 L751 S767 C768 E769 E774 I775 L816	L744-F771 HydrophobicContact CD1-CD2 4.35Å; L744-F771 HydrophobicContact CD1-CE2 3.57Å; L744-F771 HydrophobicContact CD1-CZ 3.97Å; L744-F771 HydrophobicContact CG-CE2 4.14Å; L744-F771 HydrophobicContact CG-CZ 4.23Å; K747-F771 HydrophobicContact CB-CD2 4.34Å; K747-F771 HydrophobicContact CB-CE2 4.19Å; T748-F771 WeakPolarHBondContact OG1-CE2 3.12Å; T748-F771 WeakPolarHBondContact OG1-CZ 3.4Å; L751-F771 HydrophobicContact CD2-CB 4.2Å; L751-F771 HydrophobicContact CD2-CD1 4.12Å; L751-F771 HydrophobicContact CD2-CG 4.08Å; S767-F771 WeakPolarHBondContact O-CB 3.29Å; S767-F771 PolarHBondContact O-N 3.29Å; S767-F771 VanDerWaalsContact O-N 3.12Å; C768-F771 PolarHBondContact O-N 2.99Å; E769-F771 VanDerWaalsContact C-N 3.32Å; E769-F771 PolarHBondContact O-N 3.32Å; F771-E774 WeakPolarHBondContact O-CB 3.33Å; F771-E774 PolarHBondContact O-N 3.46Å; F771-I775 HydrophobicContact CD1-CD1 3.98Å; F771-I775 HydrophobicContact CE1-CD1 3.49Å; F771-I775 VanDerWaalsContact CE1-CD1 3.49Å; F771-I775 HydrophobicContact CE1-CG1 4.25Å; F771-I775 HydrophobicContact CZ-CD1 4Å; F771-I775 HydrophobicContact CZ-CG1 4.35Å; F771-I775 PolarHBondContact O-N 3.18Å; F771-I775 VanDerWaalsContact O-N 3.14Å; F771-L816 HydrophobicContact CD1-CD1 3.97Å; F771-L816 HydrophobicContact CE1-CD1 3.57Å; F771-L816 HydrophobicContact CE1-CD2 3.86Å; F771-L816 HydrophobicContact CE1-CG 4.39Å; F771-L816 HydrophobicContact CZ-CD1 4.36Å; F771-L816 HydrophobicContact CZ-CD2 4.5Å
772	L	89.6	Confident	83.6	Confident	18 Å²	18	64 Å²	64	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-64.4	-41.2	174.6	-69	169.7	0	0	0	111.9	C768 E769 E774 I775 E776 M801 L804 L805 L812	C768-L772 WeakPolarHBondContact O-CG 3.38Å; C768-L772 PolarHBondContact O-N 2.87Å; E769-L772 PolarHBondContact O-N 3.47Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 2.94Å; L772-I775 HydrophobicContact CD2-CD1 4.34Å; L772-I775 WeakPolarHBondContact O-CB 3.37Å; L772-I775 PolarHBondContact O-N 3.18Å; L772-I775 VanDerWaalsContact O-N 3.15Å; L772-E776 PolarHBondContact O-N 3.18Å; L772-M801 HydrophobicContact CB-CE 4.29Å; L772-M801 HydrophobicContact CD2-CE 3.98Å; L772-M801 HydrophobicContact CD2-SD 4.08Å; L772-L804 HydrophobicContact CD2-CB 3.95Å; L772-L805 HydrophobicContact CD1-CD2 4.25Å; L772-L812 HydrophobicContact CD1-CD1 4.03Å; L772-L812 HydrophobicContact CD2-CD1 4.25Å; L772-L812 HydrophobicContact CG-CD1 4.32Å
773	Q	89.3	Confident	85.1	Confident	115 Å²	115	61.4 Å²	61.4	54%	0.537	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-34.8	173.6	-72.3	174.4	1.5	0	0	112.4	E769 K770 E776 S777	E769-Q773 WeakPolarHBondContact O-CG 3.38Å; E769-Q773 PolarHBondContact O-N 3.45Å; K770-Q773 PolarHBondContact O-N 3.48Å; Q773-E776 PolarHBondContact O-N 2.54Å; Q773-S777 VanDerWaalsContact O-CB 3.29Å; Q773-S777 WeakPolarHBondContact O-CB 3.47Å; Q773-S777 PolarHBondContact O-N 3.4Å
774	E	89.4	Confident	86.3	Confident	62 Å²	62	64.6 Å²	64.6	29%	0.29	33%	0.328	S	S	.	.	H	α-helix	trans	-67.7	-36.1	175	-70.7	175.8	174.2	0	0	112.5	K747 K770 F771 L772 S777 F778	K747-E774 WeakPolarHBondContact CD-OE2 3.34Å; K747-E774 IonicContact NZ-OE1 3.34Å; K747-E774 PolarHBondContact NZ-OE1 3.35Å; K747-E774 IonicContact NZ-OE2 3.74Å; K747-E774 PolarHBondContact NZ-OE2 3.41Å; K770-E774 WeakPolarHBondContact O-CG 3.4Å; K770-E774 PolarHBondContact O-N 2.87Å; F771-E774 WeakPolarHBondContact O-CB 3.33Å; F771-E774 PolarHBondContact O-N 3.46Å; L772-E774 VanDerWaalsContact C-N 3.26Å; L772-E774 PolarHBondContact O-N 2.94Å; E774-S777 PolarHBondContact O-N 3.38Å; E774-F778 WeakPolarHBondContact O-CB 3.15Å; E774-F778 PolarHBondContact O-N 2.83Å
775	I	90.4	Very high	87.5	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-46.8	173	-65.2	166.3	0	0	0	110.4	L744 F771 L772 S777 F778 Q779 L797 L798 M801	L744-I775 HydrophobicContact CD1-CG1 4.08Å; L744-I775 HydrophobicContact CD2-CG1 4.14Å; F771-I775 HydrophobicContact CD1-CD1 3.98Å; F771-I775 HydrophobicContact CE1-CD1 3.49Å; F771-I775 VanDerWaalsContact CE1-CD1 3.49Å; F771-I775 HydrophobicContact CE1-CG1 4.25Å; F771-I775 HydrophobicContact CZ-CD1 4Å; F771-I775 HydrophobicContact CZ-CG1 4.35Å; F771-I775 PolarHBondContact O-N 3.18Å; F771-I775 VanDerWaalsContact O-N 3.14Å; L772-I775 HydrophobicContact CD2-CD1 4.34Å; L772-I775 WeakPolarHBondContact O-CB 3.37Å; L772-I775 PolarHBondContact O-N 3.18Å; L772-I775 VanDerWaalsContact O-N 3.15Å; I775-S777 VanDerWaalsContact C-N 3.29Å; I775-S777 PolarHBondContact O-N 2.89Å; I775-F778 WeakPolarHBondContact O-CB 3.22Å; I775-F778 PolarHBondContact O-N 3.07Å; I775-Q779 PolarHBondContact O-N 3.25Å; I775-L797 HydrophobicContact CD1-CD1 4.03Å; I775-L797 HydrophobicContact CG1-CD1 4.42Å; I775-L798 HydrophobicContact CG2-CD2 3.67Å; I775-M801 HydrophobicContact CB-CE 4.21Å; I775-M801 HydrophobicContact CB-SD 4.45Å; I775-M801 HydrophobicContact CD1-SD 4.48Å; I775-M801 HydrophobicContact CG2-CE 4.12Å; I775-M801 HydrophobicContact CG2-SD 3.91Å
776	E	90	Very high	88.2	Confident	74 Å²	74	59.1 Å²	59.1	35%	0.346	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-35.9	176.6	-67	179.9	174.2	0	0	112.2	L772 Q773 R780 M801	L772-E776 PolarHBondContact O-N 3.18Å; Q773-E776 PolarHBondContact O-N 2.54Å; E776-R780 WeakPolarHBondContact O-CG 3.48Å; E776-R780 PolarHBondContact O-N 3.35Å; E776-R780 VanDerWaalsContact O-N 3.08Å; E776-R780 PolarHBondContact O-NE 2.69Å; E776-M801 HydrophobicContact CG-CE 3.65Å
777	S	89.4	Confident	88.6	Confident	16 Å²	16	61.2 Å²	61.2	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-46.6	173.9	-172.7	0	0	0	0	110.9	Q773 E774 I775 Q779 R780 M781	Q773-S777 VanDerWaalsContact O-CB 3.29Å; Q773-S777 WeakPolarHBondContact O-CB 3.47Å; Q773-S777 PolarHBondContact O-N 3.4Å; E774-S777 PolarHBondContact O-N 3.38Å; I775-S777 VanDerWaalsContact C-N 3.29Å; I775-S777 PolarHBondContact O-N 2.89Å; S777-Q779 VanDerWaalsContact C-N 3.33Å; S777-Q779 PolarHBondContact O-N 3.38Å; S777-R780 PolarHBondContact O-N 3.49Å; S777-M781 WeakPolarHBondContact O-CB 3.36Å; S777-M781 WeakPolarHBondContact O-CG 3.29Å; S777-M781 PolarHBondContact O-N 2.92Å
778	F	91.8	Very high	88.7	Confident	7 Å²	7	63.6 Å²	63.6	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-56.1	-48.2	174.9	-177.1	-77.1	0	0	0	111.1	H740 H741 E774 I775 R780 M781 F782 L789 V794	H740-F778 HydrophobicContact CB-CD2 3.85Å; H740-F778 HydrophobicContact CB-CE2 3.59Å; H741-F778 HydrophobicContact CB-CE2 4.46Å; E774-F778 WeakPolarHBondContact O-CB 3.15Å; E774-F778 PolarHBondContact O-N 2.83Å; I775-F778 WeakPolarHBondContact O-CB 3.22Å; I775-F778 PolarHBondContact O-N 3.07Å; F778-R780 VanDerWaalsContact C-N 3.33Å; F778-R780 PolarHBondContact O-N 3.48Å; F778-M781 PolarHBondContact O-N 3.41Å; F778-F782 HydrophobicContact CD1-CD2 4.25Å; F778-F782 AromaticContact CD2-CD2 3.74Å; F778-F782 HydrophobicContact CD2-CD2 3.74Å; F778-F782 HydrophobicContact CD2-CE2 4.03Å; F778-F782 HydrophobicContact CE1-CB 4.18Å; F778-F782 HydrophobicContact CE1-CD2 4.15Å; F778-F782 AromaticContact CE2-CD2 3.67Å; F778-F782 HydrophobicContact CE2-CD2 3.67Å; F778-F782 HydrophobicContact CE2-CE2 4.04Å; F778-F782 HydrophobicContact CG-CD2 4.03Å; F778-F782 HydrophobicContact CZ-CB 4.38Å; F778-F782 AromaticContact CZ-CD2 3.88Å; F778-F782 HydrophobicContact CZ-CD2 3.88Å; F778-F782 HydrophobicContact CZ-CG 4.4Å; F778-F782 WeakPolarHBondContact O-CD2 3.47Å; F778-F782 PolarHBondContact O-N 3.26Å; F778-L789 HydrophobicContact CE1-CD1 4.19Å; F778-L789 HydrophobicContact CZ-CD1 3.9Å; F778-V794 HydrophobicContact CD1-CG1 3.7Å; F778-V794 HydrophobicContact CE1-CB 4.4Å; F778-V794 HydrophobicContact CE1-CG1 3.55Å; F778-V794 HydrophobicContact CE1-CG2 4.32Å; F778-V794 HydrophobicContact CZ-CG1 4.29Å; F778-V794 HydrophobicContact CZ-CG2 4.29Å
779	Q	90.9	Very high	88.7	Confident	76 Å²	76	63.6 Å²	63.6	36%	0.355	31%	0.308	S	S	.	.	H	α-helix	trans	-57.9	-46.7	179.2	-172.3	-178.8	7.2	0	0	111	I775 S777 L783 L786 L798	I775-Q779 PolarHBondContact O-N 3.25Å; S777-Q779 VanDerWaalsContact C-N 3.33Å; S777-Q779 PolarHBondContact O-N 3.38Å; Q779-L783 HydrophobicContact CG-CD2 4.01Å; Q779-L783 VanDerWaalsContact O-CD2 3.22Å; Q779-L783 WeakPolarHBondContact O-CD2 3.31Å; Q779-L783 WeakPolarHBondContact O-CG 3.4Å; Q779-L783 PolarHBondContact O-N 3.47Å; Q779-L786 HydrophobicContact CG-CD1 4.29Å; Q779-L798 HydrophobicContact CB-CD1 4.48Å; Q779-L798 HydrophobicContact CB-CD2 3.97Å; Q779-L798 HydrophobicContact CG-CD1 4.31Å; Q779-L798 HydrophobicContact CG-CD2 4.17Å
780	R	89.6	Confident	88.5	Confident	175 Å²	175	65.4 Å²	65.4	66%	0.66	32%	0.316	S	S	*	.	H	α-helix	trans	-64.2	-41.5	178.9	-76.6	-177	-75.1	156.1	-7.7	113	E776 S777 F778	E776-R780 WeakPolarHBondContact O-CG 3.48Å; E776-R780 PolarHBondContact O-N 3.35Å; E776-R780 VanDerWaalsContact O-N 3.08Å; E776-R780 PolarHBondContact O-NE 2.69Å; S777-R780 PolarHBondContact O-N 3.49Å; F778-R780 VanDerWaalsContact C-N 3.33Å; F778-R780 PolarHBondContact O-N 3.48Å
781	M	89.1	Confident	88.2	Confident	79 Å²	79	64.3 Å²	64.3	39%	0.389	32%	0.317	S	S	.	.	H	α-helix	trans	-71.4	-35.7	-178.1	-71.1	-173.6	-62.1	0	0	112.8	S777 F778	S777-M781 WeakPolarHBondContact O-CB 3.36Å; S777-M781 WeakPolarHBondContact O-CG 3.29Å; S777-M781 PolarHBondContact O-N 2.92Å; F778-M781 PolarHBondContact O-N 3.41Å
782	F	91.8	Very high	88.2	Confident	14 Å²	14	64.2 Å²	64.2	6%	0.061	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	30.3	-169.7	-57.3	-67.5	0	0	0	113.8	V736 A737 H740 F778 T784 E785 L786	V736-F782 HydrophobicContact CB-CE1 4.36Å; V736-F782 HydrophobicContact CG1-CE1 3.89Å; V736-F782 HydrophobicContact CG1-CZ 3.84Å; A737-F782 HydrophobicContact CB-CB 4.24Å; A737-F782 HydrophobicContact CB-CD1 3.64Å; A737-F782 HydrophobicContact CB-CD2 4.48Å; A737-F782 HydrophobicContact CB-CE1 4.1Å; A737-F782 HydrophobicContact CB-CG 3.86Å; H740-F782 HydrophobicContact CB-CE2 3.81Å; H740-F782 HydrophobicContact CB-CZ 4.26Å; H740-F782 AromaticContact CD2-CZ 3.71Å; H740-F782 AromaticContact CG-CE2 3.72Å; H740-F782 AromaticContact CG-CZ 3.89Å; F778-F782 HydrophobicContact CD1-CD2 4.25Å; F778-F782 AromaticContact CD2-CD2 3.74Å; F778-F782 HydrophobicContact CD2-CD2 3.74Å; F778-F782 HydrophobicContact CD2-CE2 4.03Å; F778-F782 HydrophobicContact CE1-CB 4.18Å; F778-F782 HydrophobicContact CE1-CD2 4.15Å; F778-F782 AromaticContact CE2-CD2 3.67Å; F778-F782 HydrophobicContact CE2-CD2 3.67Å; F778-F782 HydrophobicContact CE2-CE2 4.04Å; F778-F782 HydrophobicContact CG-CD2 4.03Å; F778-F782 HydrophobicContact CZ-CB 4.38Å; F778-F782 AromaticContact CZ-CD2 3.88Å; F778-F782 HydrophobicContact CZ-CD2 3.88Å; F778-F782 HydrophobicContact CZ-CG 4.4Å; F778-F782 WeakPolarHBondContact O-CD2 3.47Å; F778-F782 PolarHBondContact O-N 3.26Å; F782-T784 PolarHBondContact O-N 3.1Å; F782-T784 VanDerWaalsContact O-N 3.15Å; F782-E785 HydrophobicContact CB-CB 4.45Å; F782-E785 PolarHBondContact O-N 3.19Å; F782-L786 PolarHBondContact O-N 3.23Å
783	L	89.3	Confident	88.2	Confident	105 Å²	105	63.4 Å²	63.4	55%	0.55	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.7	-179.7	-77.9	176.4	0	0	0	113.3	Q779 E785 L786	Q779-L783 HydrophobicContact CG-CD2 4.01Å; Q779-L783 VanDerWaalsContact O-CD2 3.22Å; Q779-L783 WeakPolarHBondContact O-CD2 3.31Å; Q779-L783 WeakPolarHBondContact O-CG 3.4Å; Q779-L783 PolarHBondContact O-N 3.47Å; L783-E785 VanDerWaalsContact C-N 3.32Å; L783-E785 PolarHBondContact O-N 2.91Å; L783-L786 HydrophobicContact CD2-CD1 4.08Å
784	T	89.7	Confident	88.2	Confident	103 Å²	103	58 Å²	58	63%	0.632	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-23.1	-178.6	55.6	0	0	0	0	113.4	F782 P787	F782-T784 PolarHBondContact O-N 3.1Å; F782-T784 VanDerWaalsContact O-N 3.15Å; T784-P787 WeakPolarHBondContact O-CD 3.27Å
785	E	89	Confident	88.2	Confident	23 Å²	23	56.9 Å²	56.9	11%	0.107	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-13.4	-175.1	-56.5	-50.7	150.1	0	0	113.8	S733 R734 A737 F782 L783 P787 H788	S733-E785 WeakPolarHBondContact OG-CG 3.48Å; S733-E785 PolarHBondContact OG-OE1 3.4Å; R734-E785 WeakPolarHBondContact CG-OE2 3.44Å; R734-E785 IonicContact NE-OE2 2.74Å; A737-E785 HydrophobicContact CB-CB 4.04Å; A737-E785 HydrophobicContact CB-CG 4.3Å; F782-E785 HydrophobicContact CB-CB 4.45Å; F782-E785 PolarHBondContact O-N 3.19Å; L783-E785 VanDerWaalsContact C-N 3.32Å; L783-E785 PolarHBondContact O-N 2.91Å; E785-P787 VanDerWaalsContact C-N 3.31Å; E785-H788 WeakPolarHBondContact O-CB 3.43Å; E785-H788 PolarHBondContact O-N 3.39Å; E785-H788 IonicContact OE2-CE1 3.66Å; E785-H788 IonicContact OE2-ND1 3.58Å; E785-H788 PolarHBondContact OE2-ND1 2.82Å; E785-H788 VanDerWaalsContact OE2-ND1 3.09Å
786	L	86.9	Confident	88.2	Confident	27 Å²	27	59 Å²	59	14%	0.141	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-48.4	-42.1	176.4	-76.2	161.9	0	0	0	114.1	Q779 F782 L783 H788 L789 L798	Q779-L786 HydrophobicContact CG-CD1 4.29Å; F782-L786 PolarHBondContact O-N 3.23Å; L783-L786 HydrophobicContact CD2-CD1 4.08Å; L786-H788 PolarHBondContact O-N 2.87Å; L786-H788 VanDerWaalsContact O-N 3.13Å; L786-L789 PolarHBondContact O-N 2.64Å; L786-L798 HydrophobicContact CD2-CD1 3.36Å
787	P	86.4	Confident	88.2	Confident	78 Å²	78	55.5 Å²	55.5	51%	0.506	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-61.1	-23.2	177.8	-23.6	35	0	0	0	114.3	T784 E785 L789 Q790	T784-P787 WeakPolarHBondContact O-CD 3.27Å; E785-P787 VanDerWaalsContact C-N 3.31Å; P787-L789 VanDerWaalsContact C-N 3.34Å; P787-Q790 WeakPolarHBondContact O-CG 3.39Å
788	H	83.8	Confident	88.3	Confident	102 Å²	102	56 Å²	56	47%	0.472	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-84.4	-10.7	177.4	-54.6	102.3	0	0	0	112.8	R734 E785 L786	R734-H788 PolarHBondContact NH2-CE1 3.19Å; R734-H788 PolarHBondContact NH2-NE2 3.48Å; E785-H788 WeakPolarHBondContact O-CB 3.43Å; E785-H788 PolarHBondContact O-N 3.39Å; E785-H788 IonicContact OE2-CE1 3.66Å; E785-H788 IonicContact OE2-ND1 3.58Å; E785-H788 PolarHBondContact OE2-ND1 2.82Å; E785-H788 VanDerWaalsContact OE2-ND1 3.09Å; L786-H788 PolarHBondContact O-N 2.87Å; L786-H788 VanDerWaalsContact O-N 3.13Å
789	L	84.2	Confident	88.2	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-106	24.8	-178.2	-60.1	175.6	0	0	0	112.1	F778 L786 P787 S792 D795 L826	F778-L789 HydrophobicContact CE1-CD1 4.19Å; F778-L789 HydrophobicContact CZ-CD1 3.9Å; L786-L789 PolarHBondContact O-N 2.64Å; P787-L789 VanDerWaalsContact C-N 3.34Å; L789-S792 WeakPolarHBondContact O-CB 3.47Å; L789-S792 PolarHBondContact O-N 3.36Å; L789-S792 PolarHBondContact O-OG 3.36Å; L789-D795 WeakPolarHBondContact O-CB 3.47Å; L789-L826 HydrophobicContact CD2-CD2 3.32Å
790	Q	80.7	Confident	88.1	Confident	146 Å²	146	61 Å²	61	68%	0.682	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	141.8	180	-75.6	179.7	-4.6	0	0	112.6	P787 S792 D795	P787-Q790 WeakPolarHBondContact O-CG 3.39Å; Q790-S792 PolarHBondContact O-N 3.46Å; Q790-D795 WeakPolarHBondContact CA-OD2 3.45Å
791	D	81.7	Confident	88.1	Confident	116 Å²	116	53.4 Å²	53.4	62%	0.62	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	10.8	-177.1	-164.3	26	0	0	0	114.2	D795 K796	D791-D795 PolarHBondContact N-OD2 3.41Å; D791-K796 WeakPolarHBondContact O-CE 3.42Å; D791-K796 PolarHBondContact O-NZ 3.24Å; D791-K796 WeakPolarHBondContact OD1-CE 3.28Å; D791-K796 IonicContact OD1-NZ 2.71Å; D791-K796 PolarHBondContact OD1-NZ 3.18Å
792	S	88.4	Confident	88	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.042	29%	0.286	C	S	.	.	S	Bend	trans	-79.8	168.3	176.1	80.7	0	0	0	0	112.3	H741 L789 Q790 V794 D795 K796	H741-S792 PolarHBondContact CE1-OG 2.97Å; L789-S792 WeakPolarHBondContact O-CB 3.47Å; L789-S792 PolarHBondContact O-N 3.36Å; L789-S792 PolarHBondContact O-OG 3.36Å; Q790-S792 PolarHBondContact O-N 3.46Å; S792-V794 VanDerWaalsContact C-N 3.34Å; S792-V794 PolarHBondContact O-N 2.86Å; S792-D795 PolarHBondContact O-N 3.12Å; S792-D795 PolarHBondContact OG-N 3.34Å; S792-K796 WeakPolarHBondContact O-CG 3.49Å; S792-K796 PolarHBondContact O-N 3.29Å; S792-K796 VanDerWaalsContact O-N 3.13Å
793	F	90.5	Very high	87.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-53.5	-45.5	173.9	176	-110.2	0	0	0	113.6	H741 L744 Q745 T748 L797 T819 L820	H741-F793 PolarHBondContact CE1-N 2.96Å; L744-F793 HydrophobicContact CD2-CE1 4.2Å; L744-F793 HydrophobicContact CG-CE1 4.29Å; Q745-F793 HydrophobicContact CG-CB 4.17Å; Q745-F793 HydrophobicContact CG-CD1 3.54Å; Q745-F793 HydrophobicContact CG-CE1 4.12Å; Q745-F793 HydrophobicContact CG-CG 3.95Å; T748-F793 HydrophobicContact CG2-CE2 4.46Å; T748-F793 HydrophobicContact CG2-CZ 3.76Å; T748-F793 WeakPolarHBondContact OG1-CE1 3.27Å; T748-F793 VanDerWaalsContact OG1-CZ 3.29Å; T748-F793 WeakPolarHBondContact OG1-CZ 3.48Å; F793-L797 HydrophobicContact CD1-CD1 3.95Å; F793-L797 HydrophobicContact CD1-CG 4.5Å; F793-L797 HydrophobicContact CD2-CG 4.5Å; F793-L797 HydrophobicContact CE1-CD1 3.32Å; F793-L797 HydrophobicContact CE1-CG 4.12Å; F793-L797 HydrophobicContact CE2-CD1 4.11Å; F793-L797 HydrophobicContact CE2-CD2 4.2Å; F793-L797 HydrophobicContact CE2-CG 4.1Å; F793-L797 HydrophobicContact CZ-CD1 3.4Å; F793-L797 VanDerWaalsContact CZ-CD1 3.4Å; F793-L797 HydrophobicContact CZ-CD2 4.12Å; F793-L797 HydrophobicContact CZ-CG 3.9Å; F793-L797 WeakPolarHBondContact O-CG 3.32Å; F793-L797 PolarHBondContact O-N 2.94Å; F793-T819 HydrophobicContact CD2-CG2 3.88Å; F793-T819 HydrophobicContact CE2-CG2 3.98Å; F793-L820 HydrophobicContact CD2-CB 4.42Å; F793-L820 HydrophobicContact CD2-CD1 4.13Å; F793-L820 HydrophobicContact CE2-CB 3.89Å; F793-L820 HydrophobicContact CE2-CD1 3.97Å; F793-L820 HydrophobicContact CZ-CD1 4.18Å
794	V	90.3	Very high	87.6	Confident	1 Å²	1	56.2 Å²	56.2	1%	0.006	29%	0.286	C	S	.	.	H	α-helix	trans	-67.2	-42.7	-178.6	168.2	0	0	0	0	111.2	H741 L744 F778 S792 K796 L797 L798	H741-V794 HydrophobicContact CB-CG2 4.32Å; H741-V794 PolarHBondContact CE1-N 3.14Å; H741-V794 WeakPolarHBondContact ND1-CG2 3.24Å; L744-V794 HydrophobicContact CD2-CG2 3.61Å; F778-V794 HydrophobicContact CD1-CG1 3.7Å; F778-V794 HydrophobicContact CE1-CB 4.4Å; F778-V794 HydrophobicContact CE1-CG1 3.55Å; F778-V794 HydrophobicContact CE1-CG2 4.32Å; F778-V794 HydrophobicContact CZ-CG1 4.29Å; F778-V794 HydrophobicContact CZ-CG2 4.29Å; S792-V794 VanDerWaalsContact C-N 3.34Å; S792-V794 PolarHBondContact O-N 2.86Å; V794-K796 VanDerWaalsContact C-N 3.34Å; V794-K796 PolarHBondContact O-N 2.84Å; V794-L797 WeakPolarHBondContact O-CB 3.34Å; V794-L797 PolarHBondContact O-N 3.22Å; V794-L797 VanDerWaalsContact O-N 3.1Å; V794-L798 HydrophobicContact CG1-CD1 3.83Å; V794-L798 HydrophobicContact CG1-CG 4.19Å; V794-L798 WeakPolarHBondContact O-CG 3.46Å; V794-L798 PolarHBondContact O-N 3.44Å
795	D	88.9	Confident	87.4	Confident	39 Å²	39	56.1 Å²	56.1	21%	0.209	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-49.4	178.9	-169.1	41	0	0	0	110.4	L789 Q790 D791 S792 L797 L798 E799	L789-D795 WeakPolarHBondContact O-CB 3.47Å; Q790-D795 WeakPolarHBondContact CA-OD2 3.45Å; D791-D795 PolarHBondContact N-OD2 3.41Å; S792-D795 PolarHBondContact O-N 3.12Å; S792-D795 PolarHBondContact OG-N 3.34Å; D795-L797 VanDerWaalsContact C-N 3.31Å; D795-L797 PolarHBondContact O-N 3.24Å; D795-L798 PolarHBondContact O-N 3.4Å; D795-L798 VanDerWaalsContact O-N 3.11Å; D795-E799 WeakPolarHBondContact O-CG 3.31Å; D795-E799 PolarHBondContact O-N 3.01Å
796	K	90.4	Very high	87.1	Confident	47 Å²	47	59.6 Å²	59.6	20%	0.204	31%	0.308	C	S	.	.	H	α-helix	trans	-59.3	-37.9	174	-69.3	172.2	-177.9	162.9	0	113.1	D791 S792 V794 I800 T819	D791-K796 WeakPolarHBondContact O-CE 3.42Å; D791-K796 PolarHBondContact O-NZ 3.24Å; D791-K796 WeakPolarHBondContact OD1-CE 3.28Å; D791-K796 IonicContact OD1-NZ 2.71Å; D791-K796 PolarHBondContact OD1-NZ 3.18Å; S792-K796 WeakPolarHBondContact O-CG 3.49Å; S792-K796 PolarHBondContact O-N 3.29Å; S792-K796 VanDerWaalsContact O-N 3.13Å; V794-K796 VanDerWaalsContact C-N 3.34Å; V794-K796 PolarHBondContact O-N 2.84Å; K796-I800 VanDerWaalsContact O-CG1 3.22Å; K796-I800 WeakPolarHBondContact O-CG1 3.49Å; K796-I800 PolarHBondContact O-N 3.4Å; K796-T819 HydrophobicContact CB-CG2 3.81Å
797	L	90.4	Very high	86.9	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.5	-40.4	175.8	-75.6	-176.8	0	0	0	112.2	L744 I775 F793 V794 D795 I800 M801 L804 L816 T819	L744-L797 HydrophobicContact CD2-CD1 3.83Å; I775-L797 HydrophobicContact CD1-CD1 4.03Å; I775-L797 HydrophobicContact CG1-CD1 4.42Å; F793-L797 HydrophobicContact CD1-CD1 3.95Å; F793-L797 HydrophobicContact CD1-CG 4.5Å; F793-L797 HydrophobicContact CD2-CG 4.5Å; F793-L797 HydrophobicContact CE1-CD1 3.32Å; F793-L797 HydrophobicContact CE1-CG 4.12Å; F793-L797 HydrophobicContact CE2-CD1 4.11Å; F793-L797 HydrophobicContact CE2-CD2 4.2Å; F793-L797 HydrophobicContact CE2-CG 4.1Å; F793-L797 HydrophobicContact CZ-CD1 3.4Å; F793-L797 VanDerWaalsContact CZ-CD1 3.4Å; F793-L797 HydrophobicContact CZ-CD2 4.12Å; F793-L797 HydrophobicContact CZ-CG 3.9Å; F793-L797 WeakPolarHBondContact O-CG 3.32Å; F793-L797 PolarHBondContact O-N 2.94Å; V794-L797 WeakPolarHBondContact O-CB 3.34Å; V794-L797 PolarHBondContact O-N 3.22Å; V794-L797 VanDerWaalsContact O-N 3.1Å; D795-L797 VanDerWaalsContact C-N 3.31Å; D795-L797 PolarHBondContact O-N 3.24Å; L797-I800 HydrophobicContact CD2-CD1 4.32Å; L797-I800 CarbonylContact O-C 3.59Å; L797-I800 WeakPolarHBondContact O-CG1 3.34Å; L797-I800 PolarHBondContact O-N 3.03Å; L797-M801 WeakPolarHBondContact O-CA 3.19Å; L797-M801 PolarHBondContact O-N 3.48Å; L797-L804 HydrophobicContact CD2-CD1 4.1Å; L797-L816 HydrophobicContact CD2-CD2 3.41Å; L797-L816 VanDerWaalsContact CD2-CD2 3.41Å; L797-T819 HydrophobicContact CD2-CG2 4.32Å
798	L	90.4	Very high	86.8	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.141	32%	0.318	C	S	.	.	H	α-helix	trans	-69.2	-38.4	179.5	-68.6	174.2	0	0	0	111.6	I775 Q779 L786 V794 D795 I800 M801	I775-L798 HydrophobicContact CG2-CD2 3.67Å; Q779-L798 HydrophobicContact CB-CD1 4.48Å; Q779-L798 HydrophobicContact CB-CD2 3.97Å; Q779-L798 HydrophobicContact CG-CD1 4.31Å; Q779-L798 HydrophobicContact CG-CD2 4.17Å; L786-L798 HydrophobicContact CD2-CD1 3.36Å; V794-L798 HydrophobicContact CG1-CD1 3.83Å; V794-L798 HydrophobicContact CG1-CG 4.19Å; V794-L798 WeakPolarHBondContact O-CG 3.46Å; V794-L798 PolarHBondContact O-N 3.44Å; D795-L798 PolarHBondContact O-N 3.4Å; D795-L798 VanDerWaalsContact O-N 3.11Å; L798-I800 VanDerWaalsContact C-N 3.32Å; L798-I800 PolarHBondContact O-N 3.26Å; L798-M801 VanDerWaalsContact O-CB 3.27Å; L798-M801 WeakPolarHBondContact O-CB 3.33Å; L798-M801 PolarHBondContact O-N 2.83Å
799	E	88.8	Confident	86.7	Confident	140 Å²	140	60.5 Å²	60.5	65%	0.654	31%	0.309	S	S	*	.	H	α-helix	trans	-59.5	-41	172.9	-72.1	-175.3	159.8	0	0	112.4	D795	D795-E799 WeakPolarHBondContact O-CG 3.31Å; D795-E799 PolarHBondContact O-N 3.01Å
800	I	89.9	Confident	86.5	Confident	47 Å²	47	65.9 Å²	65.9	24%	0.241	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	4.1	-179.7	69.5	-168.6	0	0	0	113.7	K796 L797 L798 P802 R803 L804 I815	K796-I800 VanDerWaalsContact O-CG1 3.22Å; K796-I800 WeakPolarHBondContact O-CG1 3.49Å; K796-I800 PolarHBondContact O-N 3.4Å; L797-I800 HydrophobicContact CD2-CD1 4.32Å; L797-I800 CarbonylContact O-C 3.59Å; L797-I800 WeakPolarHBondContact O-CG1 3.34Å; L797-I800 PolarHBondContact O-N 3.03Å; L798-I800 VanDerWaalsContact C-N 3.32Å; L798-I800 PolarHBondContact O-N 3.26Å; I800-P802 VanDerWaalsContact C-CD 3.46Å; I800-R803 WeakPolarHBondContact O-CA 3.38Å; I800-R803 WeakPolarHBondContact O-CB 3.42Å; I800-R803 PolarHBondContact O-N 3.16Å; I800-L804 HydrophobicContact CD1-CD1 4.47Å; I800-L804 HydrophobicContact CG1-CD1 3.91Å; I800-L804 HydrophobicContact CG1-CD2 4.5Å; I800-L804 HydrophobicContact CG1-CG 4.04Å; I800-L804 PolarHBondContact O-N 2.93Å; I800-I815 HydrophobicContact CD1-CG2 3.71Å
801	M	88.5	Confident	86.7	Confident	16 Å²	16	63.9 Å²	63.9	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-55	-42.7	-175.5	-167.9	64.2	174.6	0	0	114.2	L772 I775 E776 L797 L798 R803 L804 L805	L772-M801 HydrophobicContact CB-CE 4.29Å; L772-M801 HydrophobicContact CD2-CE 3.98Å; L772-M801 HydrophobicContact CD2-SD 4.08Å; I775-M801 HydrophobicContact CB-CE 4.21Å; I775-M801 HydrophobicContact CB-SD 4.45Å; I775-M801 HydrophobicContact CD1-SD 4.48Å; I775-M801 HydrophobicContact CG2-CE 4.12Å; I775-M801 HydrophobicContact CG2-SD 3.91Å; E776-M801 HydrophobicContact CG-CE 3.65Å; L797-M801 WeakPolarHBondContact O-CA 3.19Å; L797-M801 PolarHBondContact O-N 3.48Å; L798-M801 VanDerWaalsContact O-CB 3.27Å; L798-M801 WeakPolarHBondContact O-CB 3.33Å; L798-M801 PolarHBondContact O-N 2.83Å; M801-R803 PolarHBondContact O-N 3.49Å; M801-L804 PolarHBondContact O-N 3.13Å; M801-L804 VanDerWaalsContact O-N 3.09Å; M801-L804 HydrophobicContact SD-CD1 4.27Å; M801-L805 HydrophobicContact CE-CD2 4.42Å; M801-L805 HydrophobicContact CG-CD1 4.49Å; M801-L805 PolarHBondContact O-N 3.3Å; M801-L805 VanDerWaalsContact O-N 3.11Å
802	P	87.2	Confident	86.9	Confident	97 Å²	97	58.6 Å²	58.6	63%	0.63	30%	0.299	S	S	*	.	H	α-helix	trans	-60	-31	176.8	-23.2	34.7	0	0	0	113.1	I800 S806	I800-P802 VanDerWaalsContact C-CD 3.46Å; P802-S806 PolarHBondContact O-OG 3.15Å
803	R	87.9	Confident	86.8	Confident	157 Å²	157	58.8 Å²	58.8	59%	0.592	30%	0.3	S	S	*	.	H	α-helix	trans	-77.7	-39.5	176.1	-176	179.4	173.7	-170.9	-0.8	111.3	I800 M801 L805 S806 C807	I800-R803 WeakPolarHBondContact O-CA 3.38Å; I800-R803 WeakPolarHBondContact O-CB 3.42Å; I800-R803 PolarHBondContact O-N 3.16Å; M801-R803 PolarHBondContact O-N 3.49Å; R803-L805 VanDerWaalsContact C-N 3.29Å; R803-L805 PolarHBondContact O-N 3.2Å; R803-S806 PolarHBondContact O-N 3.14Å; R803-S806 PolarHBondContact O-OG 2.98Å; R803-S806 VanDerWaalsContact O-OG 3.09Å; R803-C807 PolarHBondContact O-N 3.44Å; R803-C807 PolarHBondContact O-SG 2.88Å
804	L	85.6	Confident	86.6	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-60.9	-38.3	178.2	-65.6	175	0	0	0	112.3	L772 L797 I800 M801 S806 L812 I815	L772-L804 HydrophobicContact CD2-CB 3.95Å; L797-L804 HydrophobicContact CD2-CD1 4.1Å; I800-L804 HydrophobicContact CD1-CD1 4.47Å; I800-L804 HydrophobicContact CG1-CD1 3.91Å; I800-L804 HydrophobicContact CG1-CD2 4.5Å; I800-L804 HydrophobicContact CG1-CG 4.04Å; I800-L804 PolarHBondContact O-N 2.93Å; M801-L804 PolarHBondContact O-N 3.13Å; M801-L804 VanDerWaalsContact O-N 3.09Å; M801-L804 HydrophobicContact SD-CD1 4.27Å; L804-S806 VanDerWaalsContact C-N 3.26Å; L804-S806 PolarHBondContact O-N 3.48Å; L804-L812 HydrophobicContact CD2-CG 4.37Å; L804-I815 HydrophobicContact CD2-CB 4.29Å; L804-I815 HydrophobicContact CD2-CD1 4.47Å; L804-I815 HydrophobicContact CD2-CG2 3.87Å
805	L	84.8	Confident	86.5	Confident	101 Å²	101	65.8 Å²	65.8	53%	0.529	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.3	177.9	-70.8	166.5	0	0	0	114	L772 M801 R803	L772-L805 HydrophobicContact CD1-CD2 4.25Å; M801-L805 HydrophobicContact CE-CD2 4.42Å; M801-L805 HydrophobicContact CG-CD1 4.49Å; M801-L805 PolarHBondContact O-N 3.3Å; M801-L805 VanDerWaalsContact O-N 3.11Å; R803-L805 VanDerWaalsContact C-N 3.29Å; R803-L805 PolarHBondContact O-N 3.2Å
806	S	83.1	Confident	86.5	Confident	97 Å²	97	64 Å²	64	68%	0.678	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-8	-177	52	0	0	0	0	114	P802 R803 L804	P802-S806 PolarHBondContact O-OG 3.15Å; R803-S806 PolarHBondContact O-N 3.14Å; R803-S806 PolarHBondContact O-OG 2.98Å; R803-S806 VanDerWaalsContact O-OG 3.09Å; L804-S806 VanDerWaalsContact C-N 3.26Å; L804-S806 PolarHBondContact O-N 3.48Å
807	C	83.3	Confident	86.4	Confident	28 Å²	28	63.5 Å²	63.5	19%	0.189	32%	0.321	C	S	.	.	S	Bend	trans	-80.6	151.3	-178.2	-83.6	0	0	0	0	113.3	R803 E811 L812	R803-C807 PolarHBondContact O-N 3.44Å; R803-C807 PolarHBondContact O-SG 2.88Å; C807-E811 HydrophobicContact CB-CB 4.29Å; C807-L812 HydrophobicContact CB-CB 4.46Å
808	K	83.4	Confident	86.3	Confident	155 Å²	155	67.2 Å²	67.2	67%	0.674	34%	0.343	S	S	*	.			trans	-67.2	149.7	168.1	-69.5	-179	179.6	178.8	0	110.3	L810 E811 L812	K808-L810 VanDerWaalsContact C-N 3.26Å; K808-L810 PolarHBondContact O-N 3.42Å; K808-L810 VanDerWaalsContact O-N 3.09Å; K808-E811 HydrophobicContact CB-CG 4.49Å; K808-E811 WeakPolarHBondContact O-CA 3.28Å; K808-E811 WeakPolarHBondContact O-CB 3.37Å; K808-E811 PolarHBondContact O-N 3.47Å; K808-L812 PolarHBondContact O-N 2.89Å
809	P	81.8	Confident	86.2	Confident	42 Å²	42	66.4 Å²	66.4	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-52.1	-38.8	-176.6	-29.9	35	0	0	0	114.9	L763 I765 L812 V813	L763-P809 HydrophobicContact CD2-CB 4.41Å; I765-P809 HydrophobicContact CG1-CG 4.29Å; P809-L812 PolarHBondContact O-N 2.97Å; P809-V813 WeakPolarHBondContact O-CG2 3.31Å; P809-V813 PolarHBondContact O-N 3.15Å
810	L	81.4	Confident	86.2	Confident	120 Å²	120	59.9 Å²	59.9	63%	0.628	31%	0.309	S	S	*	.	H	α-helix	trans	-70.5	-33.5	178.6	-170.4	66.3	0	0	0	112.9	K808 K814	K808-L810 VanDerWaalsContact C-N 3.26Å; K808-L810 PolarHBondContact O-N 3.42Å; K808-L810 VanDerWaalsContact O-N 3.09Å; L810-K814 WeakPolarHBondContact O-CG 3.39Å; L810-K814 PolarHBondContact O-N 3.45Å
811	E	84.3	Confident	85.9	Confident	103 Å²	103	62.7 Å²	62.7	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-72.1	-41.1	174.1	-66.4	-177.8	161.8	0	0	110.8	C807 K808 V813 K814 I815	C807-E811 HydrophobicContact CB-CB 4.29Å; K808-E811 HydrophobicContact CB-CG 4.49Å; K808-E811 WeakPolarHBondContact O-CA 3.28Å; K808-E811 WeakPolarHBondContact O-CB 3.37Å; K808-E811 PolarHBondContact O-N 3.47Å; E811-V813 PolarHBondContact O-N 2.94Å; E811-K814 WeakPolarHBondContact O-CB 3.24Å; E811-K814 PolarHBondContact O-N 2.99Å; E811-I815 WeakPolarHBondContact O-CG1 3.1Å; E811-I815 PolarHBondContact O-N 3.14Å
812	L	86.4	Confident	85.6	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-55.4	-50.6	173.7	178	154.9	0	0	0	110.8	L751 C768 L772 L804 C807 K808 P809 K814 I815 L816	L751-L812 HydrophobicContact CD2-CD2 4.39Å; C768-L812 HydrophobicContact CB-CD1 4.45Å; L772-L812 HydrophobicContact CD1-CD1 4.03Å; L772-L812 HydrophobicContact CD2-CD1 4.25Å; L772-L812 HydrophobicContact CG-CD1 4.32Å; L804-L812 HydrophobicContact CD2-CG 4.37Å; C807-L812 HydrophobicContact CB-CB 4.46Å; K808-L812 PolarHBondContact O-N 2.89Å; P809-L812 PolarHBondContact O-N 2.97Å; L812-K814 VanDerWaalsContact C-N 3.3Å; L812-K814 PolarHBondContact O-N 3.27Å; L812-I815 PolarHBondContact O-N 3.21Å; L812-I815 VanDerWaalsContact O-N 3.17Å; L812-L816 HydrophobicContact CD2-CD1 3.43Å; L812-L816 VanDerWaalsContact CD2-CD1 3.43Å; L812-L816 HydrophobicContact CD2-CG 4.04Å; L812-L816 HydrophobicContact CG-CD1 4.38Å; L812-L816 WeakPolarHBondContact O-CG 3.42Å; L812-L816 PolarHBondContact O-N 3.32Å
813	V	86	Confident	85.3	Confident	10 Å²	10	64.9 Å²	64.9	6%	0.061	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-38.1	178.7	171	0	0	0	0	112.1	V752 A755 L763 P809 E811 L816 Q817	V752-V813 HydrophobicContact CB-CG1 4.43Å; V752-V813 HydrophobicContact CG1-CG1 4.43Å; V752-V813 HydrophobicContact CG2-CG1 4.15Å; A755-V813 HydrophobicContact CB-CG1 3.86Å; A755-V813 HydrophobicContact CB-CG2 4.06Å; L763-V813 HydrophobicContact CD2-CG2 3.84Å; P809-V813 WeakPolarHBondContact O-CG2 3.31Å; P809-V813 PolarHBondContact O-N 3.15Å; E811-V813 PolarHBondContact O-N 2.94Å; V813-L816 PolarHBondContact O-N 3.35Å; V813-Q817 WeakPolarHBondContact O-CB 3.42Å; V813-Q817 PolarHBondContact O-N 3.29Å
814	K	85.8	Confident	84.6	Confident	126 Å²	126	59.1 Å²	59.1	55%	0.548	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-44.3	175.8	-74.6	177.5	-177.9	-179.6	0	111.9	L810 E811 L812 Q817 T818	L810-K814 WeakPolarHBondContact O-CG 3.39Å; L810-K814 PolarHBondContact O-N 3.45Å; E811-K814 WeakPolarHBondContact O-CB 3.24Å; E811-K814 PolarHBondContact O-N 2.99Å; L812-K814 VanDerWaalsContact C-N 3.3Å; L812-K814 PolarHBondContact O-N 3.27Å; K814-Q817 PolarHBondContact O-N 3.44Å; K814-T818 PolarHBondContact O-N 3.34Å; K814-T818 PolarHBondContact O-OG1 2.86Å
815	I	88.3	Confident	84.1	Confident	23 Å²	23	60.2 Å²	60.2	12%	0.118	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-49.6	176.4	-65.9	167.2	0	0	0	109.5	I800 L804 E811 L812 Q817 T818 T819	I800-I815 HydrophobicContact CD1-CG2 3.71Å; L804-I815 HydrophobicContact CD2-CB 4.29Å; L804-I815 HydrophobicContact CD2-CD1 4.47Å; L804-I815 HydrophobicContact CD2-CG2 3.87Å; E811-I815 WeakPolarHBondContact O-CG1 3.1Å; E811-I815 PolarHBondContact O-N 3.14Å; L812-I815 PolarHBondContact O-N 3.21Å; L812-I815 VanDerWaalsContact O-N 3.17Å; I815-Q817 VanDerWaalsContact C-N 3.32Å; I815-Q817 PolarHBondContact O-N 3.07Å; I815-T818 WeakPolarHBondContact CA-OG1 3.46Å; I815-T818 PolarHBondContact O-N 2.53Å; I815-T818 VanDerWaalsContact O-N 3.11Å; I815-T818 PolarHBondContact O-OG1 3.24Å; I815-T819 PolarHBondContact O-N 3.3Å; I815-T819 PolarHBondContact O-OG1 3.38Å
816	L	89	Confident	83.9	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.2	-43.4	177.2	-70.3	-175.9	0	0	0	112.5	T748 L751 V752 F771 L797 L812 V813 T818 T819 L820	T748-L816 HydrophobicContact CG2-CB 3.83Å; T748-L816 HydrophobicContact CG2-CD1 4.24Å; T748-L816 HydrophobicContact CG2-CD2 4.43Å; T748-L816 HydrophobicContact CG2-CG 4.39Å; L751-L816 HydrophobicContact CD2-CD1 3.88Å; V752-L816 HydrophobicContact CG2-CB 4.48Å; F771-L816 HydrophobicContact CD1-CD1 3.97Å; F771-L816 HydrophobicContact CE1-CD1 3.57Å; F771-L816 HydrophobicContact CE1-CD2 3.86Å; F771-L816 HydrophobicContact CE1-CG 4.39Å; F771-L816 HydrophobicContact CZ-CD1 4.36Å; F771-L816 HydrophobicContact CZ-CD2 4.5Å; L797-L816 HydrophobicContact CD2-CD2 3.41Å; L797-L816 VanDerWaalsContact CD2-CD2 3.41Å; L812-L816 HydrophobicContact CD2-CD1 3.43Å; L812-L816 VanDerWaalsContact CD2-CD1 3.43Å; L812-L816 HydrophobicContact CD2-CG 4.04Å; L812-L816 HydrophobicContact CG-CD1 4.38Å; L812-L816 WeakPolarHBondContact O-CG 3.42Å; L812-L816 PolarHBondContact O-N 3.32Å; V813-L816 PolarHBondContact O-N 3.35Å; L816-T818 PolarHBondContact O-N 2.71Å; L816-T819 PolarHBondContact O-N 3.37Å; L816-L820 WeakPolarHBondContact O-CB 3.42Å; L816-L820 PolarHBondContact O-N 2.78Å
817	Q	88.4	Confident	83.7	Confident	38 Å²	38	56.7 Å²	56.7	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-61	-43.7	176.3	-176.8	-172	-28.4	0	0	111.5	W696 V752 V813 K814 I815 R821	W696-Q817 HydrophobicContact CE3-CG 4.41Å; W696-Q817 HydrophobicContact CZ3-CG 3.92Å; V752-Q817 HydrophobicContact CG1-CB 4.1Å; V752-Q817 HydrophobicContact CG1-CG 4.11Å; V752-Q817 HydrophobicContact CG2-CB 4.21Å; V813-Q817 WeakPolarHBondContact O-CB 3.42Å; V813-Q817 PolarHBondContact O-N 3.29Å; K814-Q817 PolarHBondContact O-N 3.44Å; I815-Q817 VanDerWaalsContact C-N 3.32Å; I815-Q817 PolarHBondContact O-N 3.07Å; Q817-R821 WeakPolarHBondContact O-CG 3.05Å; Q817-R821 PolarHBondContact O-N 2.76Å
818	T	87.8	Confident	83.5	Confident	77 Å²	77	56 Å²	56	47%	0.472	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-45.2	178.1	47	0	0	0	0	112.1	K814 I815 L816 L820 R821 Q822	K814-T818 PolarHBondContact O-N 3.34Å; K814-T818 PolarHBondContact O-OG1 2.86Å; I815-T818 WeakPolarHBondContact CA-OG1 3.46Å; I815-T818 PolarHBondContact O-N 2.53Å; I815-T818 VanDerWaalsContact O-N 3.11Å; I815-T818 PolarHBondContact O-OG1 3.24Å; L816-T818 PolarHBondContact O-N 2.71Å; T818-L820 PolarHBondContact O-N 3.18Å; T818-R821 PolarHBondContact O-N 3.03Å; T818-Q822 WeakPolarHBondContact O-CG 3.44Å; T818-Q822 PolarHBondContact O-N 3.15Å
819	T	88.9	Confident	83.3	Confident	10 Å²	10	57.1 Å²	57.1	6%	0.061	28%	0.281	C	S	.	.	H	α-helix	trans	-65.4	-40.2	179.9	-49.8	0	0	0	0	111.3	F793 K796 L797 I815 L816 R821 Q822 S823	F793-T819 HydrophobicContact CD2-CG2 3.88Å; F793-T819 HydrophobicContact CE2-CG2 3.98Å; K796-T819 HydrophobicContact CB-CG2 3.81Å; L797-T819 HydrophobicContact CD2-CG2 4.32Å; I815-T819 PolarHBondContact O-N 3.3Å; I815-T819 PolarHBondContact O-OG1 3.38Å; L816-T819 PolarHBondContact O-N 3.37Å; T819-R821 PolarHBondContact O-N 3.26Å; T819-Q822 CarbonylContact O-C 3.51Å; T819-Q822 PolarHBondContact O-N 2.68Å; T819-S823 PolarHBondContact O-N 2.98Å; T819-S823 VanDerWaalsContact O-N 3.17Å
820	L	88.8	Confident	83.2	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-37.4	178.4	-173.1	65.1	0	0	0	111.9	L691 Q745 T748 L749 F793 L816 T818 Q822 S823	L691-L820 HydrophobicContact CD1-CG 4.34Å; L691-L820 HydrophobicContact CD2-CD2 3.89Å; L691-L820 HydrophobicContact CD2-CG 3.97Å; Q745-L820 HydrophobicContact CB-CD1 3.86Å; Q745-L820 HydrophobicContact CG-CD1 3.91Å; T748-L820 HydrophobicContact CG2-CB 4.42Å; T748-L820 HydrophobicContact CG2-CD2 4.08Å; L749-L820 HydrophobicContact CB-CD2 4.08Å; L749-L820 HydrophobicContact CD1-CD2 4.4Å; F793-L820 HydrophobicContact CD2-CB 4.42Å; F793-L820 HydrophobicContact CD2-CD1 4.13Å; F793-L820 HydrophobicContact CE2-CB 3.89Å; F793-L820 HydrophobicContact CE2-CD1 3.97Å; F793-L820 HydrophobicContact CZ-CD1 4.18Å; L816-L820 WeakPolarHBondContact O-CB 3.42Å; L816-L820 PolarHBondContact O-N 2.78Å; T818-L820 PolarHBondContact O-N 3.18Å; L820-Q822 VanDerWaalsContact C-N 3.3Å; L820-Q822 PolarHBondContact O-N 2.75Å; L820-S823 WeakPolarHBondContact O-CB 3.37Å; L820-S823 PolarHBondContact O-N 3.24Å; L820-S823 PolarHBondContact O-OG 3.43Å
821	R	83.8	Confident	83.1	Confident	106 Å²	106	52.6 Å²	52.6	40%	0.4	26%	0.256	S	S	.	.	H	α-helix	trans	-69.6	-27.6	175.6	-75.9	-167.1	-171.9	172.8	14.3	114.1	L691 Q817 T818 T819 S823	L691-R821 HydrophobicContact CD2-CG 4.48Å; Q817-R821 WeakPolarHBondContact O-CG 3.05Å; Q817-R821 PolarHBondContact O-N 2.76Å; T818-R821 PolarHBondContact O-N 3.03Å; T819-R821 PolarHBondContact O-N 3.26Å; R821-S823 VanDerWaalsContact C-N 3.27Å
822	Q	82.2	Confident	82.5	Confident	136 Å²	136	56.8 Å²	56.8	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.2	176.3	-66.9	174.8	-10.3	0	0	112.1	T818 T819 L820	T818-Q822 WeakPolarHBondContact O-CG 3.44Å; T818-Q822 PolarHBondContact O-N 3.15Å; T819-Q822 CarbonylContact O-C 3.51Å; T819-Q822 PolarHBondContact O-N 2.68Å; L820-Q822 VanDerWaalsContact C-N 3.3Å; L820-Q822 PolarHBondContact O-N 2.75Å
823	S	81.1	Confident	82.2	Confident	23 Å²	23	63 Å²	63	16%	0.161	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-75	130.1	178.2	70.5	0	0	0	0	111.2	Q745 T819 L820 R821	Q745-S823 PolarHBondContact NE2-OG 3.41Å; T819-S823 PolarHBondContact O-N 2.98Å; T819-S823 VanDerWaalsContact O-N 3.17Å; L820-S823 WeakPolarHBondContact O-CB 3.37Å; L820-S823 PolarHBondContact O-N 3.24Å; L820-S823 PolarHBondContact O-OG 3.43Å; R821-S823 VanDerWaalsContact C-N 3.27Å
824	G	72.4	Confident	82.3	Confident	36 Å²	36	63 Å²	63	37%	0.371	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-84.6	165.6	172.4	0	0	0	0	0	112.1
825	L	76.1	Confident	82.4	Confident	26 Å²	26	60 Å²	60	14%	0.136	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-74.1	126.9	172.3	-170.3	121.1	0	0	0	109.8	V638 Q684	V638-L825 HydrophobicContact CG1-CD2 4.26Å; Q684-L825 HydrophobicContact CB-CD1 3.5Å; Q684-L825 HydrophobicContact CG-CD1 3.67Å; Q684-L825 HydrophobicContact CG-CG 4.25Å
826	L	80.6	Confident	82.5	Confident	23 Å²	23	63.4 Å²	63.4	12%	0.12	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-80.6	140	171.5	-77.2	99.5	0	0	0	111.5	T738 H741 L789	T738-L826 HydrophobicContact CG2-CB 4.38Å; H741-L826 VanDerWaalsContact CD2-CD1 3.42Å; H741-L826 WeakPolarHBondContact CD2-CD1 3.2Å; H741-L826 WeakPolarHBondContact NE2-CD1 3.36Å; L789-L826 HydrophobicContact CD2-CD2 3.32Å
827	Q	77.3	Confident	82.7	Confident	101 Å²	101	63.5 Å²	63.5	47%	0.472	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-79	123.7	173.8	-170	179.7	9.8	0	0	110.3
828	L	79.7	Confident	82.9	Confident	14 Å²	14	63.8 Å²	63.8	7%	0.073	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-79.3	123.8	170.5	-175.1	71.2	0	0	0	109.7	F676 F680 Q735 L830	F676-L828 HydrophobicContact CD1-CD2 4Å; F676-L828 HydrophobicContact CE1-CD1 4Å; F676-L828 HydrophobicContact CE1-CD2 3.65Å; F676-L828 HydrophobicContact CE1-CG 4.28Å; F676-L828 HydrophobicContact CZ-CD1 4.47Å; F680-L828 HydrophobicContact CB-CD2 4.05Å; F680-L828 HydrophobicContact CD1-CB 3.94Å; F680-L828 HydrophobicContact CD1-CD2 3.91Å; F680-L828 HydrophobicContact CD1-CG 4.4Å; F680-L828 HydrophobicContact CD2-CD1 4.36Å; F680-L828 HydrophobicContact CE1-CB 3.78Å; F680-L828 HydrophobicContact CE2-CD1 4.36Å; F680-L828 HydrophobicContact CG-CD2 3.9Å; F680-L828 HydrophobicContact CZ-CB 4.27Å; F680-L828 HydrophobicContact CZ-CD1 4.5Å; Q735-L828 HydrophobicContact CG-CD1 4.35Å; L828-L830 HydrophobicContact CD2-CD2 4.4Å
829	R	79.6	Confident	83.3	Confident	177 Å²	177	60.5 Å²	60.5	67%	0.668	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-98.5	124.3	166.4	-69.4	-169.9	-178.8	177.9	2.3	109.3	Q735	Q735-R829 WeakPolarHBondContact CG-O 3.22Å; Q735-R829 PolarHBondContact NE2-O 3.18Å
830	L	78.6	Confident	83.5	Confident	51 Å²	51	64.1 Å²	64.1	27%	0.267	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-75.4	139.5	176.9	-70.1	173.7	0	0	0	110.9	L631 L635 F676 C677 L828 I834	L631-L830 HydrophobicContact CD2-CD1 3.91Å; L631-L830 HydrophobicContact CG-CD1 4.18Å; L635-L830 HydrophobicContact CD1-CD1 3.41Å; L635-L830 VanDerWaalsContact CD1-CD1 3.41Å; L635-L830 HydrophobicContact CD1-CG 3.79Å; F676-L830 HydrophobicContact CD1-CD2 4Å; F676-L830 HydrophobicContact CE1-CD2 4.36Å; C677-L830 WeakPolarHBondContact SG-CD2 3.43Å; L828-L830 HydrophobicContact CD2-CD2 4.4Å; L830-I834 HydrophobicContact CD2-CD1 3.76Å
831	P	80.2	Confident	83.7	Confident	17 Å²	17	64.8 Å²	64.8	11%	0.11	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73.7	171.3	164.3	35.2	-31.2	0	0	0	110.1	G730 E732 Q833 I834	G730-P831 WeakPolarHBondContact O-CG 3.17Å; E732-P831 HydrophobicContact CG-CB 4.04Å; P831-Q833 VanDerWaalsContact C-N 3.32Å; P831-Q833 PolarHBondContact O-N 3.31Å; P831-I834 VanDerWaalsContact CD-CD1 3.48Å; P831-I834 HydrophobicContact CG-CD1 3.75Å; P831-I834 HydrophobicContact CG-CG1 3.34Å
832	E	72.4	Confident	84	Confident	190 Å²	190	62.3 Å²	62.3	89%	0.888	31%	0.309	S	S	*	.	S	Bend	trans	-65.2	-33.9	-175.8	-66.3	-169.2	161.7	0	0	113.4
833	Q	79.4	Confident	84.2	Confident	136 Å²	136	58.4 Å²	58.4	64%	0.636	29%	0.29	S	S	*	.			trans	-139.1	112	-177.7	-64.8	-178	-3.8	0	0	110.3	P831	P831-Q833 VanDerWaalsContact C-N 3.32Å; P831-Q833 PolarHBondContact O-N 3.31Å
834	I	87.7	Confident	84.6	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.056	29%	0.288	C	S	.	.			trans	-111.9	127.4	167.8	-63.5	-171.2	0	0	0	107.9	A673 F676 Y728 L731 L830 P831	A673-I834 HydrophobicContact CB-CB 4.47Å; F676-I834 HydrophobicContact CB-CD1 4.44Å; F676-I834 HydrophobicContact CB-CG2 4.35Å; F676-I834 HydrophobicContact CD1-CD1 3.52Å; F676-I834 HydrophobicContact CD2-CD1 4.48Å; F676-I834 HydrophobicContact CE1-CD1 3.76Å; F676-I834 HydrophobicContact CG-CD1 3.92Å; F676-I834 HydrophobicContact CG-CG2 4.47Å; F676-I834 HydrophobicContact CZ-CD1 4.38Å; Y728-I834 HydrophobicContact CD1-CG2 3.68Å; Y728-I834 HydrophobicContact CE1-CG2 4.5Å; Y728-I834 HydrophobicContact CG-CG2 4.36Å; L731-I834 HydrophobicContact CD2-CD1 4.16Å; L830-I834 HydrophobicContact CD2-CD1 3.76Å; P831-I834 VanDerWaalsContact CD-CD1 3.48Å; P831-I834 HydrophobicContact CG-CD1 3.75Å; P831-I834 HydrophobicContact CG-CG1 3.34Å
835	H	87.6	Confident	85.1	Confident	63 Å²	63	59.3 Å²	59.3	29%	0.292	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.9	171.9	-59	-71	0	0	0	110.9	Y728 S729 H870	Y728-H835 CarbonylContact C-O 3.29Å; Y728-H835 WeakPolarHBondContact CA-O 3.41Å; S729-H835 PolarHBondContact N-O 3.15Å; S729-H835 PolarHBondContact O-N 3.36Å; S729-H835 VanDerWaalsContact O-N 3.12Å; S729-H835 PolarHBondContact OG-O 3.28Å; H835-H870 HydrophobicContact CB-CB 3.74Å; H835-H870 VanDerWaalsContact CB-CG 3.5Å; H835-H870 WeakPolarHBondContact CB-ND1 3.42Å; H835-H870 AromaticContact CD2-ND1 3.92Å; H835-H870 AromaticContact CE1-CE1 3.92Å; H835-H870 AromaticContact CG-CE1 3.58Å; H835-H870 AromaticContact CG-CG 3.98Å; H835-H870 AromaticContact CG-ND1 3.42Å; H835-H870 AromaticContact ND1-CE1 3.43Å; H835-H870 PolarHBondContact ND1-CE1 3.19Å; H835-H870 AromaticContact ND1-ND1 3.78Å; H835-H870 AromaticContact ND1-NE2 3.88Å
836	R	91.2	Very high	85.3	Confident	93 Å²	93	59.9 Å²	59.9	35%	0.351	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130.1	173	-179.5	176.5	166.1	-167.2	-6	108.9	D675 L727 Y728 T838	D675-R836 WeakPolarHBondContact OD2-CD 3.33Å; D675-R836 IonicContact OD2-CZ 3.88Å; D675-R836 VanDerWaalsContact OD2-CZ 3.31Å; D675-R836 IonicContact OD2-NE 2.77Å; D675-R836 IonicContact OD2-NH1 3.52Å; D675-R836 PolarHBondContact OD2-NH1 3.48Å; L727-R836 HydrophobicContact CD2-CG 4.24Å; L727-R836 HydrophobicContact CG-CG 4.18Å; Y728-R836 HydrophobicContact CD1-CB 3.94Å; Y728-R836 HydrophobicContact CD1-CG 4.39Å; Y728-R836 HydrophobicContact CE1-CB 3.72Å; Y728-R836 HydrophobicContact CE1-CG 3.96Å; R836-T838 HydrophobicContact CG-CG2 4.28Å; R836-T838 PolarHBondContact O-N 2.95Å
837	A	92.9	Very high	85.1	Confident	3 Å²	3	66.7 Å²	66.7	3%	0.025	33%	0.331	C	S	.	.			trans	-66.1	126.7	169.1	0	0	0	0	0	109.8	L727 E869 V871 F969	L727-A837 HydrophobicContact CD1-CB 4.17Å; L727-A837 VanDerWaalsContact O-CB 3.23Å; L727-A837 WeakPolarHBondContact O-CB 3.25Å; L727-A837 PolarHBondContact O-N 2.89Å; A837-E869 WeakPolarHBondContact CA-O 3.26Å; A837-V871 HydrophobicContact CB-CG2 4.09Å; A837-F969 HydrophobicContact CB-CD2 4.46Å
838	T	92.8	Very high	85.1	Confident	44 Å²	44	64.9 Å²	64.9	27%	0.27	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150.4	178.8	58.1	0	0	0	0	110.2	R836 L868 E869	R836-T838 HydrophobicContact CG-CG2 4.28Å; R836-T838 PolarHBondContact O-N 2.95Å; T838-L868 WeakPolarHBondContact O-CA 3.06Å; T838-E869 PolarHBondContact N-O 3.44Å; T838-E869 PolarHBondContact O-N 3.4Å
839	A	95.1	Very high	84.9	Confident	7 Å²	7	70.5 Å²	70.5	6%	0.058	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.5	170.3	0	0	0	0	0	111.9	T867 L868 L930 F969 S970	A839-T867 CarbonylContact C-O 3.59Å; A839-T867 VanDerWaalsContact CA-O 3.26Å; A839-T867 WeakPolarHBondContact CA-O 3.02Å; A839-L868 HydrophobicContact CB-CD2 3.53Å; A839-L930 HydrophobicContact CB-CB 4.31Å; A839-L930 HydrophobicContact CB-CD1 3.65Å; A839-F969 HydrophobicContact CB-CD2 3.69Å; A839-F969 HydrophobicContact CB-CE1 4.43Å; A839-F969 HydrophobicContact CB-CE2 3.32Å; A839-F969 HydrophobicContact CB-CG 4.4Å; A839-F969 HydrophobicContact CB-CZ 3.73Å; A839-F969 PolarHBondContact N-O 3.37Å; A839-F969 VanDerWaalsContact N-O 3.1Å; A839-S970 VanDerWaalsContact O-CA 3.31Å; A839-S970 WeakPolarHBondContact O-CA 3.48Å; A839-S970 VanDerWaalsContact O-CB 3.3Å; A839-S970 WeakPolarHBondContact O-CB 3.43Å
840	T	93.6	Very high	85.1	Confident	86 Å²	86	68.3 Å²	68.3	53%	0.528	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.2	175.7	-53.2	0	0	0	0	108.6	I842 A866 T867	T840-I842 PolarHBondContact O-N 2.71Å; T840-A866 CarbonylContact O-C 3.55Å; T840-A866 VanDerWaalsContact O-CA 3.27Å; T840-A866 WeakPolarHBondContact O-CA 3.46Å; T840-T867 PolarHBondContact N-O 2.57Å; T840-T867 PolarHBondContact O-N 3.39Å; T840-T867 PolarHBondContact O-OG1 3.18Å
841	I	93.8	Very high	85.5	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.087	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	121.5	171.4	-60.3	171.6	0	0	0	106.9	E843 A866 L930 V973	I841-E843 VanDerWaalsContact CG2-O 3.28Å; I841-E843 WeakPolarHBondContact CG2-O 3.38Å; I841-A866 HydrophobicContact CG1-CB 4.31Å; I841-L930 HydrophobicContact CD1-CG 4.27Å; I841-L930 HydrophobicContact CG1-CD1 4.04Å; I841-L930 HydrophobicContact CG1-CG 4.19Å; I841-V973 HydrophobicContact CB-CG2 3.82Å; I841-V973 HydrophobicContact CD1-CB 4.42Å; I841-V973 HydrophobicContact CD1-CG2 3.94Å; I841-V973 HydrophobicContact CG1-CG2 4.44Å; I841-V973 HydrophobicContact CG2-CG2 3.96Å
842	I	89.3	Confident	85.8	Confident	55 Å²	55	69.2 Å²	69.2	28%	0.282	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-47.5	178.5	-59.6	173.2	0	0	0	109	T840 D865 T867	T840-I842 PolarHBondContact O-N 2.71Å; I842-D865 WeakPolarHBondContact CA-O 3.49Å; I842-D865 WeakPolarHBondContact CB-O 3.3Å; I842-D865 PolarHBondContact N-O 2.88Å; I842-T867 HydrophobicContact CD1-CG2 3.62Å
843	E	87	Confident	86.6	Confident	53 Å²	53	67.7 Å²	67.7	25%	0.248	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.7	171.9	-73.9	-67.8	172.4	0	0	109.1	T512 I841 T845 I864 D865	T512-E843 HydrophobicContact CG2-CG 4.25Å; I841-E843 VanDerWaalsContact CG2-O 3.28Å; I841-E843 WeakPolarHBondContact CG2-O 3.38Å; E843-T845 PolarHBondContact OE2-N 2.87Å; E843-I864 WeakPolarHBondContact O-CA 3.27Å; E843-D865 HydrophobicContact CB-CB 4.15Å; E843-D865 PolarHBondContact N-O 3.15Å; E843-D865 VanDerWaalsContact N-O 3.14Å; E843-D865 PolarHBondContact O-N 2.95Å
844	P	88.9	Confident	87.1	Confident	17 Å²	17	62.2 Å²	62.2	11%	0.11	33%	0.327	C	S	.	.	S	Bend	cis	-66.4	149.8	-3.9	26.9	-32.7	0	0	0	112.5	G846 L862 V973 V975	P844-G846 VanDerWaalsContact C-N 3.34Å; P844-L862 HydrophobicContact CG-CD1 4.27Å; P844-L862 HydrophobicContact CG-CD2 4.49Å; P844-V973 HydrophobicContact CB-CG1 4.41Å; P844-V973 HydrophobicContact CG-CG1 4Å; P844-V973 WeakPolarHBondContact O-CG1 3.44Å; P844-V975 HydrophobicContact CB-CG2 4.01Å; P844-V975 HydrophobicContact CG-CG2 3.5Å
845	T	82.8	Confident	87.1	Confident	62 Å²	62	64.4 Å²	64.4	38%	0.38	34%	0.341	S	S	.	.			trans	-73.1	-27.1	176.5	61.8	0	0	0	0	113.2	E843 E847	E843-T845 PolarHBondContact OE2-N 2.87Å; T845-E847 VanDerWaalsContact C-N 3.28Å; T845-E847 PolarHBondContact OG1-N 2.97Å
846	G	81.2	Confident	87.1	Confident	37 Å²	37	63 Å²	63	38%	0.381	34%	0.338	S	S	.	.	S	Bend	trans	77.2	8.3	-175.6	0	0	0	0	0	115.3	P844 K974	P844-G846 VanDerWaalsContact C-N 3.34Å; G846-K974 VanDerWaalsContact CA-O 3.26Å; G846-K974 WeakPolarHBondContact CA-O 3.41Å
847	E	76.9	Confident	86.6	Confident	166 Å²	166	61.4 Å²	61.4	78%	0.776	35%	0.351	S	S	*	.			trans	-95	-10.9	-179.8	-62.5	178.1	165.8	0	0	112.9	T845	T845-E847 VanDerWaalsContact C-N 3.28Å; T845-E847 PolarHBondContact OG1-N 2.97Å
848	S	76.3	Confident	86.3	Confident	64 Å²	64	66.4 Å²	66.4	45%	0.448	38%	0.376	S	S	.	.			trans	-83.3	120.4	-178.3	179.9	0	0	0	0	111.8	N850	S848-N850 PolarHBondContact O-N 3.05Å; S848-N850 PolarHBondContact OG-N 3.37Å
849	D	76.8	Confident	86.1	Confident	131 Å²	131	69.1 Å²	69.1	70%	0.701	39%	0.392	S	S	*	.			trans	-79.5	-4.3	169.8	-72.7	-28	0	0	0	113	P851	D849-P851 VanDerWaalsContact O-CD 3.31Å; D849-P851 WeakPolarHBondContact O-CD 3.22Å
850	N	83.8	Confident	85.9	Confident	132 Å²	132	70 Å²	70	71%	0.706	40%	0.397	S	S	*	.	S	Bend	trans	-78	118.1	179.4	-73.7	-39.4	0	0	0	110.6	S848	S848-N850 PolarHBondContact O-N 3.05Å; S848-N850 PolarHBondContact OG-N 3.37Å
851	P	85.9	Confident	85.7	Confident	21 Å²	21	68 Å²	68	14%	0.136	39%	0.389	C	S	.	.			trans	-77.7	135.7	-176	30.5	-34.7	0	0	0	112.3	D849 R853 P923 F976 M978	D849-P851 VanDerWaalsContact O-CD 3.31Å; D849-P851 WeakPolarHBondContact O-CD 3.22Å; P851-R853 HydrophobicContact CG-CG 4.5Å; P851-R853 PolarHBondContact O-N 3.36Å; P851-R853 VanDerWaalsContact O-N 3.13Å; P851-P923 HydrophobicContact CB-CB 3.81Å; P851-P923 HydrophobicContact CB-CG 4.3Å; P851-P923 HydrophobicContact CG-CB 4.19Å; P851-P923 HydrophobicContact CG-CG 4.16Å; P851-F976 WeakPolarHBondContact CA-O 3.49Å; P851-F976 HydrophobicContact CB-CB 4.14Å; P851-M978 HydrophobicContact CB-CB 4.18Å
852	L	86.5	Confident	85.6	Confident	65 Å²	65	67.7 Å²	67.7	34%	0.34	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	106.5	166.5	-81.5	155.1	0	0	0	109.4	L862 V975 F976 I977 M978	L852-L862 HydrophobicContact CD1-CD1 3.95Å; L852-V975 HydrophobicContact CD1-CG1 3.68Å; L852-F976 PolarHBondContact N-O 3.39Å; L852-I977 HydrophobicContact CB-CG2 4.27Å; L852-M978 PolarHBondContact O-N 3.09Å
853	R	89.1	Confident	85.6	Confident	159 Å²	159	69.8 Å²	69.8	60%	0.6	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	125.4	-178.1	-69.4	168.9	-177	130.1	3.1	110.2	P851 M978	P851-R853 HydrophobicContact CG-CG 4.5Å; P851-R853 PolarHBondContact O-N 3.36Å; P851-R853 VanDerWaalsContact O-N 3.13Å; R853-M978 WeakPolarHBondContact CA-O 3.22Å; R853-M978 HydrophobicContact CG-CB 4.05Å; R853-M978 HydrophobicContact CG-SD 4.16Å
854	F	89.3	Confident	85.8	Confident	21 Å²	21	67.3 Å²	67.3	9%	0.092	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	162.1	177	64.6	-81.7	0	0	0	110.8	V860 I977 M978 P979 K980	F854-V860 HydrophobicContact CB-CB 3.87Å; F854-V860 HydrophobicContact CB-CG1 4.41Å; F854-V860 HydrophobicContact CB-CG2 4.18Å; F854-V860 HydrophobicContact CD1-CB 3.97Å; F854-V860 HydrophobicContact CD1-CG1 3.54Å; F854-V860 HydrophobicContact CD1-CG2 4.49Å; F854-V860 HydrophobicContact CD2-CB 4.19Å; F854-V860 HydrophobicContact CD2-CG1 4.17Å; F854-V860 HydrophobicContact CE1-CG1 3.67Å; F854-V860 HydrophobicContact CE2-CG1 4.28Å; F854-V860 HydrophobicContact CG-CB 3.77Å; F854-V860 HydrophobicContact CG-CG1 3.8Å; F854-V860 HydrophobicContact CG-CG2 4.45Å; F854-V860 HydrophobicContact CZ-CG1 4.03Å; F854-I977 HydrophobicContact CE1-CB 4.28Å; F854-I977 HydrophobicContact CE1-CD1 4.3Å; F854-M978 PolarHBondContact N-O 3.3Å; F854-P979 HydrophobicContact CE1-CB 4.16Å; F854-P979 HydrophobicContact CE1-CG 3.92Å; F854-P979 HydrophobicContact CE2-CB 3.9Å; F854-P979 HydrophobicContact CE2-CG 4.27Å; F854-P979 HydrophobicContact CZ-CB 3.71Å; F854-P979 HydrophobicContact CZ-CG 3.58Å; F854-P979 CarbonylContact O-C 3.56Å; F854-P979 WeakPolarHBondContact O-CA 3.11Å; F854-K980 PolarHBondContact O-N 3.1Å
855	T	89.3	Confident	86	Confident	57 Å²	57	66.6 Å²	66.6	35%	0.35	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	129.5	178.7	-54.7	0	0	0	0	110.1	G857 L858 K980 A982	T855-G857 PolarHBondContact O-N 3.12Å; T855-L858 HydrophobicContact CG2-CD1 4.4Å; T855-L858 WeakPolarHBondContact O-CB 3.3Å; T855-L858 PolarHBondContact O-N 3.26Å; T855-K980 CarbonylContact C-O 3.58Å; T855-K980 WeakPolarHBondContact CA-O 3.04Å; T855-A982 HydrophobicContact CG2-CB 3.88Å
856	S	87	Confident	86.5	Confident	34 Å²	34	63.7 Å²	63.7	24%	0.238	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	135.8	178.3	62.7	0	0	0	0	111	L858 K980	S856-L858 PolarHBondContact O-N 3.3Å; S856-K980 PolarHBondContact N-O 3.18Å; S856-K980 PolarHBondContact OG-O 2.87Å
857	G	81.4	Confident	87.1	Confident	59 Å²	59	63.3 Å²	63.3	61%	0.608	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-11.3	-174.3	0	0	0	0	0	114.6	T855 H917	T855-G857 PolarHBondContact O-N 3.12Å; G857-H917 PolarHBondContact N-O 2.68Å
858	L	86.7	Confident	88	Confident	107 Å²	107	55.4 Å²	55.4	56%	0.56	32%	0.319	S	S	*	.	S	Bend	trans	-95.2	157.4	166.3	-58.5	-175.2	0	0	0	110.6	T855 S856	T855-L858 HydrophobicContact CG2-CD1 4.4Å; T855-L858 WeakPolarHBondContact O-CB 3.3Å; T855-L858 PolarHBondContact O-N 3.26Å; S856-L858 PolarHBondContact O-N 3.3Å
859	V	87.9	Confident	88.7	Confident	101 Å²	101	55.4 Å²	55.4	61%	0.612	31%	0.311	S	S	*	.			trans	-84	140.3	174.9	-68.3	0	0	0	0	110.6	L915	V859-L915 CarbonylContact C-O 3.59Å; V859-L915 WeakPolarHBondContact CA-O 3.49Å
860	V	89.9	Confident	89.4	Confident	27 Å²	27	51.6 Å²	51.6	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.1	164.8	70.1	0	0	0	0	108.7	F854 Y914 L915	F854-V860 HydrophobicContact CB-CB 3.87Å; F854-V860 HydrophobicContact CB-CG1 4.41Å; F854-V860 HydrophobicContact CB-CG2 4.18Å; F854-V860 HydrophobicContact CD1-CB 3.97Å; F854-V860 HydrophobicContact CD1-CG1 3.54Å; F854-V860 HydrophobicContact CD1-CG2 4.49Å; F854-V860 HydrophobicContact CD2-CB 4.19Å; F854-V860 HydrophobicContact CD2-CG1 4.17Å; F854-V860 HydrophobicContact CE1-CG1 3.67Å; F854-V860 HydrophobicContact CE2-CG1 4.28Å; F854-V860 HydrophobicContact CG-CB 3.77Å; F854-V860 HydrophobicContact CG-CG1 3.8Å; F854-V860 HydrophobicContact CG-CG2 4.45Å; F854-V860 HydrophobicContact CZ-CG1 4.03Å; V860-Y914 WeakPolarHBondContact O-CA 3.27Å; V860-L915 HydrophobicContact CG1-CB 3.81Å; V860-L915 HydrophobicContact CG1-CD1 4.44Å; V860-L915 PolarHBondContact N-O 2.88Å; V860-L915 PolarHBondContact O-N 3.5Å
861	A	90.3	Very high	89.7	Confident	42 Å²	42	45.6 Å²	45.6	35%	0.347	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	133	173.9	0	0	0	0	0	109.6	Y914	A861-Y914 HydrophobicContact CB-CD1 4.04Å; A861-Y914 HydrophobicContact CB-CE1 3.87Å
862	L	90.6	Very high	89.6	Confident	11 Å²	11	50.2 Å²	50.2	6%	0.058	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.3	168.2	177.1	67.2	0	0	0	107.7	P844 L852 V913 L915 V928 V975	P844-L862 HydrophobicContact CG-CD1 4.27Å; P844-L862 HydrophobicContact CG-CD2 4.49Å; L852-L862 HydrophobicContact CD1-CD1 3.95Å; L862-V913 HydrophobicContact CB-CB 4.49Å; L862-V913 PolarHBondContact N-O 3.08Å; L862-V913 PolarHBondContact O-N 3.22Å; L862-L915 HydrophobicContact CB-CD1 4.15Å; L862-L915 HydrophobicContact CB-CG 4.48Å; L862-L915 HydrophobicContact CD2-CD1 4.23Å; L862-V928 HydrophobicContact CD2-CG2 3.89Å; L862-V975 HydrophobicContact CD1-CG1 4.23Å; L862-V975 HydrophobicContact CD2-CG2 4.21Å
863	D	89.8	Confident	89.5	Confident	99 Å²	99	52 Å²	52	53%	0.529	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	132.8	174.9	-61.6	-51.3	0	0	0	110	Q912	D863-Q912 VanDerWaalsContact OD1-CG 3.23Å; D863-Q912 WeakPolarHBondContact OD1-CG 3.32Å; D863-Q912 PolarHBondContact OD1-NE2 3.02Å
864	I	92.2	Very high	89.4	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.3	175.4	-61	-178.4	0	0	0	108.4	E843 A866 V880 I910 T911 V913 V928	E843-I864 WeakPolarHBondContact O-CA 3.27Å; I864-A866 HydrophobicContact CG2-CB 4.48Å; I864-V880 HydrophobicContact CD1-CG1 3.63Å; I864-V880 HydrophobicContact CD1-CG2 4.42Å; I864-I910 CarbonylContact O-C 3.48Å; I864-I910 WeakPolarHBondContact O-CA 3.31Å; I864-T911 HydrophobicContact CB-CG2 4.1Å; I864-T911 PolarHBondContact N-O 3.34Å; I864-T911 PolarHBondContact O-N 3.29Å; I864-V913 HydrophobicContact CD1-CB 3.98Å; I864-V913 HydrophobicContact CD1-CG2 3.4Å; I864-V913 VanDerWaalsContact CD1-CG2 3.4Å; I864-V913 HydrophobicContact CG1-CG2 4.31Å; I864-V928 HydrophobicContact CD1-CG1 3.7Å
865	D	92.1	Very high	89.4	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.011	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	116.4	169.3	-175	1.2	0	0	0	108.3	R475 I842 E843 R908 L909	R475-D865 IonicContact CZ-OD2 3.52Å; R475-D865 IonicContact NH1-OD2 3.31Å; R475-D865 PolarHBondContact NH1-OD2 3.41Å; R475-D865 IonicContact NH2-OD2 3.31Å; R475-D865 PolarHBondContact NH2-OD2 3.39Å; I842-D865 WeakPolarHBondContact CA-O 3.49Å; I842-D865 WeakPolarHBondContact CB-O 3.3Å; I842-D865 PolarHBondContact N-O 2.88Å; E843-D865 HydrophobicContact CB-CB 4.15Å; E843-D865 PolarHBondContact N-O 3.15Å; E843-D865 VanDerWaalsContact N-O 3.14Å; E843-D865 PolarHBondContact O-N 2.95Å; D865-R908 IonicContact OD1-CZ 2.78Å; D865-R908 IonicContact OD1-NE 3.76Å; D865-R908 PolarHBondContact OD1-NE 2.81Å; D865-R908 IonicContact OD1-NH2 2.72Å; D865-R908 IonicContact OD2-CZ 2.8Å; D865-R908 IonicContact OD2-NE 2.64Å; D865-R908 PolarHBondContact OD2-NE 3.09Å; D865-R908 IonicContact OD2-NH2 3.7Å; D865-R908 PolarHBondContact OD2-NH2 3.03Å; D865-L909 CarbonylContact C-O 3.4Å; D865-L909 WeakPolarHBondContact CA-O 3.36Å
866	A	94.3	Very high	89.2	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.7	-177.7	0	0	0	0	0	112	T840 I841 I864 R908 L909 L930	T840-A866 CarbonylContact O-C 3.55Å; T840-A866 VanDerWaalsContact O-CA 3.27Å; T840-A866 WeakPolarHBondContact O-CA 3.46Å; I841-A866 HydrophobicContact CG1-CB 4.31Å; I864-A866 HydrophobicContact CG2-CB 4.48Å; A866-R908 CarbonylContact O-C 3.59Å; A866-R908 VanDerWaalsContact O-CA 3.3Å; A866-R908 WeakPolarHBondContact O-CA 3.39Å; A866-L909 HydrophobicContact CB-CB 4.49Å; A866-L909 PolarHBondContact N-O 2.85Å; A866-L909 PolarHBondContact O-N 3.2Å; A866-L930 HydrophobicContact CB-CD1 3.56Å
867	T	93.9	Very high	89.3	Confident	30 Å²	30	53.1 Å²	53.1	18%	0.184	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.5	169.4	48	0	0	0	0	109.8	A839 T840 I842	A839-T867 CarbonylContact C-O 3.59Å; A839-T867 VanDerWaalsContact CA-O 3.26Å; A839-T867 WeakPolarHBondContact CA-O 3.02Å; T840-T867 PolarHBondContact N-O 2.57Å; T840-T867 PolarHBondContact O-N 3.39Å; T840-T867 PolarHBondContact O-OG1 3.18Å; I842-T867 HydrophobicContact CD1-CG2 3.62Å
868	L	94.8	Very high	89.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	127.7	-179.3	-45.9	175.8	0	0	0	108.2	T838 A839 V871 P874 V878 F899 R906 H907 L909 L930 F969	T838-L868 WeakPolarHBondContact O-CA 3.06Å; A839-L868 HydrophobicContact CB-CD2 3.53Å; L868-V871 HydrophobicContact CB-CG2 3.99Å; L868-P874 HydrophobicContact CD1-CB 4.11Å; L868-V878 HydrophobicContact CD1-CG2 4.19Å; L868-F899 HydrophobicContact CD1-CD1 4.1Å; L868-F899 HydrophobicContact CD1-CE1 3.88Å; L868-R906 CarbonylContact O-C 3.42Å; L868-R906 WeakPolarHBondContact O-CA 3.28Å; L868-H907 HydrophobicContact CB-CB 4.13Å; L868-H907 HydrophobicContact CD1-CB 4.23Å; L868-H907 PolarHBondContact N-O 3.46Å; L868-H907 PolarHBondContact O-N 2.82Å; L868-L909 HydrophobicContact CD1-CB 4.21Å; L868-L930 HydrophobicContact CD2-CD1 3.88Å; L868-F969 HydrophobicContact CD2-CE2 4.18Å; L868-F969 HydrophobicContact CD2-CZ 4.03Å
869	E	92.1	Very high	90.3	Very high	63 Å²	63	45.8 Å²	45.8	29%	0.294	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	137.2	180	-51.1	-166.7	145.7	0	0	110.1	A837 T838 V871 T905 R906	A837-E869 WeakPolarHBondContact CA-O 3.26Å; T838-E869 PolarHBondContact N-O 3.44Å; T838-E869 PolarHBondContact O-N 3.4Å; E869-V871 PolarHBondContact O-N 3.12Å; E869-V871 VanDerWaalsContact O-N 3.14Å; E869-T905 WeakPolarHBondContact CA-O 3.28Å; E869-R906 HydrophobicContact CG-CG 4.27Å; E869-R906 IonicContact OE1-CZ 3.37Å; E869-R906 IonicContact OE1-NE 3.68Å; E869-R906 PolarHBondContact OE1-NE 3.31Å; E869-R906 IonicContact OE1-NH2 2.69Å
870	H	90.4	Very high	90.7	Very high	51 Å²	51	41 Å²	41	24%	0.236	21%	0.214	C	C	.	.	S	Bend	trans	56.9	26.8	178.1	-53.7	-78.9	0	0	0	115.3	H835 T905	H835-H870 HydrophobicContact CB-CB 3.74Å; H835-H870 VanDerWaalsContact CB-CG 3.5Å; H835-H870 WeakPolarHBondContact CB-ND1 3.42Å; H835-H870 AromaticContact CD2-ND1 3.92Å; H835-H870 AromaticContact CE1-CE1 3.92Å; H835-H870 AromaticContact CG-CE1 3.58Å; H835-H870 AromaticContact CG-CG 3.98Å; H835-H870 AromaticContact CG-ND1 3.42Å; H835-H870 AromaticContact ND1-CE1 3.43Å; H835-H870 PolarHBondContact ND1-CE1 3.19Å; H835-H870 AromaticContact ND1-ND1 3.78Å; H835-H870 AromaticContact ND1-NE2 3.88Å; H870-T905 PolarHBondContact N-O 3.37Å
871	V	89.6	Confident	90.9	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.042	21%	0.211	C	C	.	.			trans	-87.5	123.2	173.2	-173.7	0	0	0	0	110.1	A837 L868 E869 P874 V878 L932 F969	A837-V871 HydrophobicContact CB-CG2 4.09Å; L868-V871 HydrophobicContact CB-CG2 3.99Å; E869-V871 PolarHBondContact O-N 3.12Å; E869-V871 VanDerWaalsContact O-N 3.14Å; V871-P874 HydrophobicContact CB-CB 4.4Å; V871-P874 HydrophobicContact CG1-CB 3.85Å; V871-V878 HydrophobicContact CG1-CG2 3.92Å; V871-L932 HydrophobicContact CG1-CD1 3.94Å; V871-F969 HydrophobicContact CG2-CD2 4.44Å; V871-F969 HydrophobicContact CG2-CE2 3.68Å; V871-F969 HydrophobicContact CG2-CZ 4.4Å
872	Q	84.1	Confident	91.1	Very high	117 Å²	117	38.8 Å²	38.8	55%	0.547	19%	0.194	S	C	.	.	S	Bend	trans	-85.1	126.9	173.1	-66	-177.4	-9.1	0	0	110.5	K877	Q872-K877 WeakPolarHBondContact O-CD 3.34Å; Q872-K877 PolarHBondContact O-NZ 2.85Å
873	D	84.4	Confident	91.2	Very high	104 Å²	104	40.5 Å²	40.5	56%	0.556	20%	0.203	S	C	*	.	S	Bend	trans	51.7	61.3	177.9	-43.2	-51.7	0	0	0	112.8	Q875 D876 K877	D873-Q875 PolarHBondContact O-N 3.1Å; D873-Q875 VanDerWaalsContact O-N 3.16Å; D873-D876 PolarHBondContact O-N 3.45Å; D873-K877 IonicContact OD2-NZ 2.7Å; D873-K877 PolarHBondContact OD2-NZ 3.41Å
874	P	87.8	Confident	91.3	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.058	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-25.2	-172.3	26.5	-35.6	0	0	0	113.4	L868 V871 D876 K877 V878 F899 H907	L868-P874 HydrophobicContact CD1-CB 4.11Å; V871-P874 HydrophobicContact CB-CB 4.4Å; V871-P874 HydrophobicContact CG1-CB 3.85Å; P874-D876 VanDerWaalsContact C-N 3.32Å; P874-D876 PolarHBondContact O-N 3.39Å; P874-K877 PolarHBondContact O-N 3.17Å; P874-V878 HydrophobicContact CB-CG2 3.82Å; P874-V878 VanDerWaalsContact O-CB 3.3Å; P874-V878 WeakPolarHBondContact O-CB 3.5Å; P874-V878 WeakPolarHBondContact O-CG2 3.06Å; P874-V878 PolarHBondContact O-N 3.26Å; P874-F899 HydrophobicContact CB-CD1 3.89Å; P874-F899 HydrophobicContact CB-CE1 3.78Å; P874-F899 HydrophobicContact CG-CD1 4.15Å; P874-F899 WeakPolarHBondContact O-CZ 3.45Å; P874-H907 HydrophobicContact CG-CB 4.34Å
875	Q	88.1	Confident	91.1	Very high	98 Å²	98	39.2 Å²	39.2	46%	0.458	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-36.9	-176.9	-68	-179.6	-8	0	0	113.3	D873 P896 F899	D873-Q875 PolarHBondContact O-N 3.1Å; D873-Q875 VanDerWaalsContact O-N 3.16Å; Q875-P896 HydrophobicContact CG-CB 4.36Å; Q875-P896 PolarHBondContact NE2-O 3.09Å; Q875-F899 HydrophobicContact CB-CD2 4.38Å; Q875-F899 HydrophobicContact CG-CB 4.17Å; Q875-F899 HydrophobicContact CG-CD2 3.78Å; Q875-F899 HydrophobicContact CG-CE2 4.38Å; Q875-F899 HydrophobicContact CG-CG 4.06Å
876	D	85.9	Confident	90.9	Very high	122 Å²	122	43.2 Å²	43.2	65%	0.652	22%	0.221	S	C	*	.	H	α-helix	trans	-92.8	-31.4	-178.8	-64.8	-34.9	0	0	0	112.3	D873 P874 K879	D873-D876 PolarHBondContact O-N 3.45Å; P874-D876 VanDerWaalsContact C-N 3.32Å; P874-D876 PolarHBondContact O-N 3.39Å; D876-K879 PolarHBondContact O-NZ 3.15Å
877	K	89.5	Confident	90.5	Very high	64 Å²	64	46 Å²	46	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-96.9	-30.6	-168.4	-59.6	-178.6	-164.4	146.7	0	113.9	Q872 D873 P874 L932 A933	Q872-K877 WeakPolarHBondContact O-CD 3.34Å; Q872-K877 PolarHBondContact O-NZ 2.85Å; D873-K877 IonicContact OD2-NZ 2.7Å; D873-K877 PolarHBondContact OD2-NZ 3.41Å; P874-K877 PolarHBondContact O-N 3.17Å; K877-L932 HydrophobicContact CB-CD1 3.77Å; K877-L932 HydrophobicContact CB-CG 4.49Å; K877-L932 CarbonylContact O-C 3.54Å; K877-A933 WeakPolarHBondContact O-CB 3.37Å; K877-A933 PolarHBondContact O-N 3.15Å
878	V	94.4	Very high	90.3	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.3	-175.2	177.6	0	0	0	0	110.2	L868 V871 P874 P894 F899 L909 L931 L932 F969	L868-V878 HydrophobicContact CD1-CG2 4.19Å; V871-V878 HydrophobicContact CG1-CG2 3.92Å; P874-V878 HydrophobicContact CB-CG2 3.82Å; P874-V878 VanDerWaalsContact O-CB 3.3Å; P874-V878 WeakPolarHBondContact O-CB 3.5Å; P874-V878 WeakPolarHBondContact O-CG2 3.06Å; P874-V878 PolarHBondContact O-N 3.26Å; V878-P894 WeakPolarHBondContact O-CD 3.49Å; V878-F899 HydrophobicContact CB-CE1 4Å; V878-F899 HydrophobicContact CB-CZ 3.97Å; V878-F899 HydrophobicContact CG1-CE1 4.32Å; V878-F899 HydrophobicContact CG1-CZ 4.39Å; V878-F899 HydrophobicContact CG2-CE1 4.38Å; V878-L909 HydrophobicContact CG1-CD2 4.23Å; V878-L931 CarbonylContact C-O 3.54Å; V878-L931 WeakPolarHBondContact CA-O 3.2Å; V878-L932 HydrophobicContact CG2-CD1 4.34Å; V878-F969 HydrophobicContact CG1-CE1 4.32Å; V878-F969 HydrophobicContact CG1-CZ 4.12Å; V878-F969 HydrophobicContact CG2-CE1 4.46Å; V878-F969 HydrophobicContact CG2-CZ 3.91Å
879	K	94.1	Very high	90.1	Very high	12 Å²	12	52.1 Å²	52.1	5%	0.052	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	156.5	174.2	-41.2	-68.9	-176.1	173.3	0	110	D876 V891 H893 L930 L931 A933 E964	D876-K879 PolarHBondContact O-NZ 3.15Å; K879-V891 HydrophobicContact CB-CG1 3.57Å; K879-V891 HydrophobicContact CG-CG1 4.05Å; K879-H893 PolarHBondContact NZ-CD2 3.38Å; K879-H893 PolarHBondContact NZ-NE2 3.39Å; K879-L930 WeakPolarHBondContact O-CA 3.33Å; K879-L931 HydrophobicContact CB-CB 4.3Å; K879-L931 PolarHBondContact N-O 3.28Å; K879-L931 PolarHBondContact O-N 2.74Å; K879-A933 HydrophobicContact CD-CB 4.44Å; K879-A933 VanDerWaalsContact CE-CB 3.42Å; K879-A933 HydrophobicContact CG-CB 4.06Å; K879-E964 WeakPolarHBondContact CE-OE2 3.34Å; K879-E964 IonicContact NZ-OE1 2.65Å; K879-E964 IonicContact NZ-OE2 2.74Å; K879-E964 PolarHBondContact NZ-OE2 3.16Å; K879-E964 VanDerWaalsContact NZ-OE2 3.07Å
880	V	95.7	Very high	90	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.9	173	-176.2	0	0	0	0	108.8	I864 V891 I892 P894 L909 T911 V913 V928 L930	I864-V880 HydrophobicContact CD1-CG1 3.63Å; I864-V880 HydrophobicContact CD1-CG2 4.42Å; V880-V891 CarbonylContact O-C 3.54Å; V880-V891 WeakPolarHBondContact O-CA 3.48Å; V880-I892 HydrophobicContact CB-CB 4.4Å; V880-I892 PolarHBondContact N-O 3.27Å; V880-I892 PolarHBondContact O-N 3.43Å; V880-P894 HydrophobicContact CG2-CG 4.03Å; V880-L909 HydrophobicContact CG2-CD2 4.42Å; V880-T911 HydrophobicContact CG2-CG2 4.41Å; V880-V913 HydrophobicContact CB-CG2 4.26Å; V880-V913 HydrophobicContact CG1-CG2 3.9Å; V880-V913 HydrophobicContact CG2-CG2 4.47Å; V880-V928 HydrophobicContact CG1-CG1 3.95Å; V880-L930 HydrophobicContact CB-CD2 4.36Å; V880-L930 HydrophobicContact CG1-CD2 4.43Å; V880-L930 HydrophobicContact CG2-CD2 3.66Å
881	Q	94.9	Very high	90.1	Very high	22 Å²	22	53.9 Å²	53.9	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134.4	172.1	-173.1	175.3	33.9	0	0	110.8	S889 H890 V891 V928 R929 L931	Q881-S889 PolarHBondContact NE2-OG 3.26Å; Q881-H890 WeakPolarHBondContact CA-O 3.4Å; Q881-V891 HydrophobicContact CG-CG2 4.36Å; Q881-V928 WeakPolarHBondContact O-CA 3.48Å; Q881-R929 HydrophobicContact CB-CG 4.06Å; Q881-R929 PolarHBondContact N-O 3.19Å; Q881-R929 PolarHBondContact O-N 3.4Å; Q881-L931 HydrophobicContact CB-CD1 3.62Å; Q881-L931 HydrophobicContact CB-CD2 4.38Å; Q881-L931 HydrophobicContact CB-CG 3.83Å; Q881-L931 HydrophobicContact CG-CD1 4.26Å
882	V	94.4	Very high	90.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.2	170.6	-176.5	0	0	0	0	107.6	Y884 S889 H890 I892 V913 L915 V926 E927	V882-Y884 HydrophobicContact CB-CE2 4.47Å; V882-Y884 HydrophobicContact CG1-CD2 4.44Å; V882-Y884 HydrophobicContact CG1-CE1 4.28Å; V882-Y884 HydrophobicContact CG1-CE2 3.9Å; V882-S889 CarbonylContact O-C 3.53Å; V882-S889 WeakPolarHBondContact O-CA 3.41Å; V882-H890 PolarHBondContact N-O 3.02Å; V882-H890 PolarHBondContact O-N 3.23Å; V882-I892 HydrophobicContact CG2-CD1 3.96Å; V882-V913 HydrophobicContact CG2-CG1 3.75Å; V882-L915 HydrophobicContact CB-CD2 4.41Å; V882-L915 HydrophobicContact CG1-CD2 3.66Å; V882-L915 HydrophobicContact CG2-CD2 4.03Å; V882-V926 HydrophobicContact CG1-CG1 3.26Å; V882-E927 CarbonylContact C-O 3.53Å; V882-E927 WeakPolarHBondContact CA-O 3.27Å
883	L	93.5	Very high	90.6	Very high	47 Å²	47	55.7 Å²	55.7	25%	0.246	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.8	177.5	175.7	73.2	0	0	0	109.3	V926 E927	L883-V926 WeakPolarHBondContact O-CG1 3.17Å; L883-E927 HydrophobicContact CB-CB 4.18Å; L883-E927 PolarHBondContact N-O 3.16Å; L883-E927 PolarHBondContact O-N 3.23Å
884	Y	91.8	Very high	91	Very high	8 Å²	8	51.2 Å²	51.2	3%	0.031	28%	0.279	C	S	.	.			trans	-87.2	159.9	-178.5	-66.9	-83.6	0	0	0	111.9	V882 D886 G887 Q888 H890 H917 W920 V926 I977	V882-Y884 HydrophobicContact CB-CE2 4.47Å; V882-Y884 HydrophobicContact CG1-CD2 4.44Å; V882-Y884 HydrophobicContact CG1-CE1 4.28Å; V882-Y884 HydrophobicContact CG1-CE2 3.9Å; Y884-D886 VanDerWaalsContact CB-OD1 3.25Å; Y884-D886 WeakPolarHBondContact CB-OD1 3.28Å; Y884-D886 PolarHBondContact O-N 3.36Å; Y884-D886 VanDerWaalsContact O-N 3.17Å; Y884-G887 PolarHBondContact O-N 3.48Å; Y884-Q888 HydrophobicContact CD2-CB 4.45Å; Y884-Q888 PolarHBondContact N-O 2.66Å; Y884-H890 AromaticContact CE2-CE1 3.92Å; Y884-H890 AromaticContact CE2-ND1 3.63Å; Y884-H917 AromaticContact CD1-CD2 3.94Å; Y884-W920 HydrophobicContact CD1-CH2 4.48Å; Y884-W920 HydrophobicContact CD1-CZ2 4.22Å; Y884-V926 HydrophobicContact CD1-CG1 4.48Å; Y884-V926 HydrophobicContact CD1-CG2 3.82Å; Y884-V926 HydrophobicContact CE1-CG2 4.25Å; Y884-I977 HydrophobicContact CE1-CD1 4.43Å
885	P	87.9	Confident	91.3	Very high	66 Å²	66	57 Å²	57	43%	0.429	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.2	-179.3	-23.4	31.8	0	0	0	114.9	G887 W920 S924	P885-G887 PolarHBondContact O-N 3.48Å; P885-W920 HydrophobicContact CG-CH2 3.6Å; P885-W920 HydrophobicContact CG-CZ2 4.11Å; P885-W920 HydrophobicContact CG-CZ3 4.06Å; P885-S924 WeakPolarHBondContact CG-OG 3.42Å
886	D	87.1	Confident	91.4	Very high	86 Å²	86	56 Å²	56	46%	0.46	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0	178.5	69.8	-17	0	0	0	113.2	Y884 Q888 H917	Y884-D886 VanDerWaalsContact CB-OD1 3.25Å; Y884-D886 WeakPolarHBondContact CB-OD1 3.28Å; Y884-D886 PolarHBondContact O-N 3.36Å; Y884-D886 VanDerWaalsContact O-N 3.17Å; D886-Q888 VanDerWaalsContact C-N 3.32Å; D886-Q888 VanDerWaalsContact OD1-CB 3.31Å; D886-Q888 WeakPolarHBondContact OD1-CB 3.11Å; D886-Q888 PolarHBondContact OD1-N 3.37Å; D886-Q888 VanDerWaalsContact OD2-CG 3.27Å; D886-Q888 WeakPolarHBondContact OD2-CG 3.42Å; D886-Q888 PolarHBondContact OD2-NE2 2.92Å; D886-H917 IonicContact OD2-NE2 3.86Å
887	G	86.9	Confident	91.5	Very high	57 Å²	57	53.8 Å²	53.8	59%	0.588	31%	0.305	S	S	*	.	S	Bend	trans	86.3	-3.1	-177.5	0	0	0	0	0	114.1	Y884 P885	Y884-G887 PolarHBondContact O-N 3.48Å; P885-G887 PolarHBondContact O-N 3.48Å
888	Q	88.6	Confident	91.5	Very high	105 Å²	105	52.2 Å²	52.2	49%	0.491	30%	0.299	S	S	.	.			trans	-68.3	141.4	171.5	-66.5	-176.7	38.5	0	0	109.9	Y884 D886	Y884-Q888 HydrophobicContact CD2-CB 4.45Å; Y884-Q888 PolarHBondContact N-O 2.66Å; D886-Q888 VanDerWaalsContact C-N 3.32Å; D886-Q888 VanDerWaalsContact OD1-CB 3.31Å; D886-Q888 WeakPolarHBondContact OD1-CB 3.11Å; D886-Q888 PolarHBondContact OD1-N 3.37Å; D886-Q888 VanDerWaalsContact OD2-CG 3.27Å; D886-Q888 WeakPolarHBondContact OD2-CG 3.42Å; D886-Q888 PolarHBondContact OD2-NE2 2.92Å
889	S	90.6	Very high	91.4	Very high	55 Å²	55	53 Å²	53	39%	0.385	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	134	175.9	84	0	0	0	0	111.2	Q881 V882	Q881-S889 PolarHBondContact NE2-OG 3.26Å; V882-S889 CarbonylContact O-C 3.53Å; V882-S889 WeakPolarHBondContact O-CA 3.41Å
890	H	91.2	Very high	91.1	Very high	88 Å²	88	57.7 Å²	57.7	41%	0.407	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.3	174.4	-65	169.7	0	0	0	109.8	Q881 V882 Y884	Q881-H890 WeakPolarHBondContact CA-O 3.4Å; V882-H890 PolarHBondContact N-O 3.02Å; V882-H890 PolarHBondContact O-N 3.23Å; Y884-H890 AromaticContact CE2-CE1 3.92Å; Y884-H890 AromaticContact CE2-ND1 3.63Å
891	V	91.9	Very high	90.7	Very high	63 Å²	63	64.4 Å²	64.4	38%	0.382	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118	174.4	-178.8	0	0	0	0	108.4	K879 V880 Q881 L931	K879-V891 HydrophobicContact CB-CG1 3.57Å; K879-V891 HydrophobicContact CG-CG1 4.05Å; V880-V891 CarbonylContact O-C 3.54Å; V880-V891 WeakPolarHBondContact O-CA 3.48Å; Q881-V891 HydrophobicContact CG-CG2 4.36Å; V891-L931 HydrophobicContact CG2-CD1 4.24Å
892	I	92.3	Very high	89.9	Confident	44 Å²	44	67.9 Å²	67.9	23%	0.226	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	138.9	-173.7	-57.2	170	0	0	0	108.5	V880 V882 P894 V913	V880-I892 HydrophobicContact CB-CB 4.4Å; V880-I892 PolarHBondContact N-O 3.27Å; V880-I892 PolarHBondContact O-N 3.43Å; V882-I892 HydrophobicContact CG2-CD1 3.96Å; I892-P894 WeakPolarHBondContact O-CD 3.26Å; I892-V913 HydrophobicContact CD1-CB 4.12Å; I892-V913 HydrophobicContact CD1-CG1 3.39Å; I892-V913 HydrophobicContact CD1-CG2 3.87Å
893	H	91.9	Very high	89.2	Confident	117 Å²	117	68.8 Å²	68.8	54%	0.542	38%	0.383	S	S	.	.			trans	-96.5	111.8	178.4	-68	68.7	0	0	0	108.6	K879	K879-H893 PolarHBondContact NZ-CD2 3.38Å; K879-H893 PolarHBondContact NZ-NE2 3.39Å
894	P	93.3	Very high	88.5	Confident	10 Å²	10	72 Å²	72	7%	0.065	41%	0.406	C	S	.	.			trans	-64.5	151.6	174.8	-14.8	29.1	0	0	0	110.7	V878 V880 I892 F899 L909 T911	V878-P894 WeakPolarHBondContact O-CD 3.49Å; V880-P894 HydrophobicContact CG2-CG 4.03Å; I892-P894 WeakPolarHBondContact O-CD 3.26Å; P894-F899 HydrophobicContact CB-CE2 3.79Å; P894-F899 HydrophobicContact CB-CZ 3.94Å; P894-F899 HydrophobicContact CG-CE2 4.4Å; P894-F899 HydrophobicContact CG-CZ 4.09Å; P894-L909 HydrophobicContact CB-CD1 3.76Å; P894-L909 HydrophobicContact CB-CD2 4.47Å; P894-L909 HydrophobicContact CG-CD1 4.29Å; P894-L909 HydrophobicContact CG-CD2 4.12Å; P894-T911 HydrophobicContact CB-CG2 4.48Å
895	K	92.2	Very high	88.1	Confident	130 Å²	130	74.7 Å²	74.7	57%	0.565	42%	0.424	S	S	*	.			trans	-74.4	145.9	178	-60.7	172.9	-177.9	170.7	0	109.3	A897 D898 F899	K895-A897 PolarHBondContact O-N 3.05Å; K895-A897 VanDerWaalsContact O-N 3.12Å; K895-D898 PolarHBondContact N-OD2 2.75Å; K895-D898 VanDerWaalsContact O-CB 3.3Å; K895-D898 WeakPolarHBondContact O-CB 3.49Å; K895-D898 PolarHBondContact O-N 3.18Å; K895-F899 WeakPolarHBondContact O-CD2 3.39Å
896	P	90.3	Very high	88.1	Confident	77 Å²	77	77.4 Å²	77.4	50%	0.5	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-55.8	-31.4	175.5	-28.4	36	0	0	0	113.9	Q875 D898 F899	Q875-P896 HydrophobicContact CG-CB 4.36Å; Q875-P896 PolarHBondContact NE2-O 3.09Å; P896-D898 VanDerWaalsContact C-N 3.28Å; P896-D898 PolarHBondContact O-N 3.37Å; P896-F899 PolarHBondContact O-N 2.8Å
897	A	88.6	Confident	88.4	Confident	77 Å²	77	74.4 Å²	74.4	64%	0.636	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-70	-19.5	177.5	0	0	0	0	0	114.3	K895 F899	K895-A897 PolarHBondContact O-N 3.05Å; K895-A897 VanDerWaalsContact O-N 3.12Å; A897-F899 VanDerWaalsContact C-N 3.25Å; A897-F899 PolarHBondContact O-N 3.35Å
898	D	90.9	Very high	88.7	Confident	30 Å²	30	73.9 Å²	73.9	16%	0.16	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-77.7	-14.1	-179	-62.7	-6.3	0	0	0	111.9	K895 P896 L909 I910 T911	K895-D898 PolarHBondContact N-OD2 2.75Å; K895-D898 VanDerWaalsContact O-CB 3.3Å; K895-D898 WeakPolarHBondContact O-CB 3.49Å; K895-D898 PolarHBondContact O-N 3.18Å; P896-D898 VanDerWaalsContact C-N 3.28Å; P896-D898 PolarHBondContact O-N 3.37Å; D898-L909 HydrophobicContact CB-CD1 3.95Å; D898-I910 VanDerWaalsContact CB-O 3.23Å; D898-I910 WeakPolarHBondContact CB-O 3.4Å; D898-I910 PolarHBondContact O-N 2.71Å; D898-T911 VanDerWaalsContact OD2-CB 3.26Å; D898-T911 WeakPolarHBondContact OD2-CB 3.39Å; D898-T911 PolarHBondContact OD2-OG1 3.37Å
899	F	92.3	Very high	88.9	Confident	18 Å²	18	68.9 Å²	68.9	8%	0.079	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.9	178.7	-66.7	-89.2	0	0	0	111.2	L868 P874 Q875 V878 P894 K895 P896 A897 L909	L868-F899 HydrophobicContact CD1-CD1 4.1Å; L868-F899 HydrophobicContact CD1-CE1 3.88Å; P874-F899 HydrophobicContact CB-CD1 3.89Å; P874-F899 HydrophobicContact CB-CE1 3.78Å; P874-F899 HydrophobicContact CG-CD1 4.15Å; P874-F899 WeakPolarHBondContact O-CZ 3.45Å; Q875-F899 HydrophobicContact CB-CD2 4.38Å; Q875-F899 HydrophobicContact CG-CB 4.17Å; Q875-F899 HydrophobicContact CG-CD2 3.78Å; Q875-F899 HydrophobicContact CG-CE2 4.38Å; Q875-F899 HydrophobicContact CG-CG 4.06Å; V878-F899 HydrophobicContact CB-CE1 4Å; V878-F899 HydrophobicContact CB-CZ 3.97Å; V878-F899 HydrophobicContact CG1-CE1 4.32Å; V878-F899 HydrophobicContact CG1-CZ 4.39Å; V878-F899 HydrophobicContact CG2-CE1 4.38Å; P894-F899 HydrophobicContact CB-CE2 3.79Å; P894-F899 HydrophobicContact CB-CZ 3.94Å; P894-F899 HydrophobicContact CG-CE2 4.4Å; P894-F899 HydrophobicContact CG-CZ 4.09Å; K895-F899 WeakPolarHBondContact O-CD2 3.39Å; P896-F899 PolarHBondContact O-N 2.8Å; A897-F899 VanDerWaalsContact C-N 3.25Å; A897-F899 PolarHBondContact O-N 3.35Å; F899-L909 HydrophobicContact CD1-CB 4.37Å; F899-L909 HydrophobicContact CD1-CD1 4.04Å; F899-L909 HydrophobicContact CD2-CD1 4.31Å; F899-L909 HydrophobicContact CE1-CB 4.31Å; F899-L909 HydrophobicContact CE1-CD1 3.81Å; F899-L909 HydrophobicContact CE1-CD2 4.39Å; F899-L909 HydrophobicContact CE1-CG 4.4Å; F899-L909 HydrophobicContact CE2-CD1 4.11Å; F899-L909 HydrophobicContact CG-CD1 4.29Å; F899-L909 HydrophobicContact CZ-CD1 3.86Å
900	R	87.9	Confident	89	Confident	111 Å²	111	68.2 Å²	68.2	42%	0.419	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	148.7	173.3	-52	-59.6	177	117.7	7.5	110.1	D476 P902 H907 R908	D476-R900 IonicContact OD1-CZ 3.95Å; D476-R900 IonicContact OD1-NH1 2.92Å; D476-R900 IonicContact OD1-NH2 3.07Å; D476-R900 IonicContact OD2-CZ 3.88Å; D476-R900 IonicContact OD2-NH1 3.95Å; D476-R900 PolarHBondContact OD2-NH1 3.2Å; D476-R900 IonicContact OD2-NH2 3.21Å; D476-R900 PolarHBondContact OD2-NH2 3.27Å; R900-P902 VanDerWaalsContact C-CD 3.49Å; R900-P902 VanDerWaalsContact O-CD 3.24Å; R900-P902 WeakPolarHBondContact O-CD 3.49Å; R900-H907 CarbonylContact O-C 3.59Å; R900-H907 VanDerWaalsContact O-CA 3.29Å; R900-H907 WeakPolarHBondContact O-CA 3.45Å; R900-R908 HydrophobicContact CB-CB 4.44Å; R900-R908 PolarHBondContact N-O 3.48Å; R900-R908 PolarHBondContact O-N 3.28Å
901	K	86.1	Confident	89.1	Confident	142 Å²	142	64.6 Å²	64.6	62%	0.617	34%	0.341	S	S	*	.			trans	-117.4	78.9	-179	-168.5	172.8	-176.2	175.5	0	111.2	G903	K901-G903 VanDerWaalsContact CG-O 3.24Å; K901-G903 WeakPolarHBondContact CG-O 3.33Å; K901-G903 PolarHBondContact O-N 3.18Å
902	P	78	Confident	89.1	Confident	95 Å²	95	65.8 Å²	65.8	62%	0.617	34%	0.343	S	S	*	.	S	Bend	trans	-68.1	-15.8	177.6	28.4	-36.5	0	0	0	113.7	R900 R906	R900-P902 VanDerWaalsContact C-CD 3.49Å; R900-P902 VanDerWaalsContact O-CD 3.24Å; R900-P902 WeakPolarHBondContact O-CD 3.49Å; P902-R906 VanDerWaalsContact CD-O 3.29Å; P902-R906 WeakPolarHBondContact CD-O 3.45Å; P902-R906 HydrophobicContact CG-CB 4.5Å
903	G	79.1	Confident	89.1	Confident	19 Å²	19	63.7 Å²	63.7	20%	0.196	33%	0.332	C	S	.	.	S	Bend	trans	-159	174.2	177.2	0	0	0	0	0	113.2	K901 T905 R906	K901-G903 VanDerWaalsContact CG-O 3.24Å; K901-G903 WeakPolarHBondContact CG-O 3.33Å; K901-G903 PolarHBondContact O-N 3.18Å; G903-T905 VanDerWaalsContact C-N 3.33Å; G903-T905 PolarHBondContact O-N 2.75Å; G903-R906 PolarHBondContact N-O 3.38Å; G903-R906 VanDerWaalsContact O-O 3.06Å
904	P	78.8	Confident	89.1	Confident	113 Å²	113	64 Å²	64	73%	0.734	33%	0.329	S	S	*	.	S	Bend	trans	-63.7	-37	-176.4	24	-33.3	0	0	0	113.1
905	T	83.5	Confident	88.9	Confident	66 Å²	66	63.7 Å²	63.7	41%	0.405	33%	0.327	S	S	.	.	S	Bend	trans	-109.7	-1.1	-177.7	55.3	0	0	0	0	113.5	E869 H870 G903	E869-T905 WeakPolarHBondContact CA-O 3.28Å; H870-T905 PolarHBondContact N-O 3.37Å; G903-T905 VanDerWaalsContact C-N 3.33Å; G903-T905 PolarHBondContact O-N 2.75Å
906	R	89.5	Confident	88.7	Confident	123 Å²	123	60 Å²	60	46%	0.464	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	126.5	-174.5	-62	179.7	78.6	-147.7	-0.7	109.9	L868 E869 P902 G903	L868-R906 CarbonylContact O-C 3.42Å; L868-R906 WeakPolarHBondContact O-CA 3.28Å; E869-R906 HydrophobicContact CG-CG 4.27Å; E869-R906 IonicContact OE1-CZ 3.37Å; E869-R906 IonicContact OE1-NE 3.68Å; E869-R906 PolarHBondContact OE1-NE 3.31Å; E869-R906 IonicContact OE1-NH2 2.69Å; P902-R906 VanDerWaalsContact CD-O 3.29Å; P902-R906 WeakPolarHBondContact CD-O 3.45Å; P902-R906 HydrophobicContact CG-CB 4.5Å; G903-R906 PolarHBondContact N-O 3.38Å; G903-R906 VanDerWaalsContact O-O 3.06Å
907	H	92.7	Very high	88.6	Confident	22 Å²	22	57.8 Å²	57.8	10%	0.102	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	157.9	172.4	-56.2	85.6	0	0	0	109.2	L868 P874 R900	L868-H907 HydrophobicContact CB-CB 4.13Å; L868-H907 HydrophobicContact CD1-CB 4.23Å; L868-H907 PolarHBondContact N-O 3.46Å; L868-H907 PolarHBondContact O-N 2.82Å; P874-H907 HydrophobicContact CG-CB 4.34Å; R900-H907 CarbonylContact O-C 3.59Å; R900-H907 VanDerWaalsContact O-CA 3.29Å; R900-H907 WeakPolarHBondContact O-CA 3.45Å
908	R	92.1	Very high	88.6	Confident	46 Å²	46	58.9 Å²	58.9	17%	0.174	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.7	172.2	-173.3	-179.5	176.6	-162.1	0	108	E479 D865 A866 R900 I910	E479-R908 VanDerWaalsContact CD-NH1 3.33Å; E479-R908 IonicContact OE1-CZ 3.8Å; E479-R908 IonicContact OE1-NH1 3.98Å; E479-R908 PolarHBondContact OE1-NH1 3.48Å; E479-R908 VanDerWaalsContact OE1-NH1 3.12Å; E479-R908 IonicContact OE1-NH2 2.75Å; E479-R908 PolarHBondContact OE1-NH2 3.22Å; E479-R908 IonicContact OE2-CZ 3.08Å; E479-R908 IonicContact OE2-NH1 3.78Å; E479-R908 PolarHBondContact OE2-NH1 2.52Å; E479-R908 IonicContact OE2-NH2 3.16Å; D865-R908 IonicContact OD1-CZ 2.78Å; D865-R908 IonicContact OD1-NE 3.76Å; D865-R908 PolarHBondContact OD1-NE 2.81Å; D865-R908 IonicContact OD1-NH2 2.72Å; D865-R908 IonicContact OD2-CZ 2.8Å; D865-R908 IonicContact OD2-NE 2.64Å; D865-R908 PolarHBondContact OD2-NE 3.09Å; D865-R908 IonicContact OD2-NH2 3.7Å; D865-R908 PolarHBondContact OD2-NH2 3.03Å; A866-R908 CarbonylContact O-C 3.59Å; A866-R908 VanDerWaalsContact O-CA 3.3Å; A866-R908 WeakPolarHBondContact O-CA 3.39Å; R900-R908 HydrophobicContact CB-CB 4.44Å; R900-R908 PolarHBondContact N-O 3.48Å; R900-R908 PolarHBondContact O-N 3.28Å; R908-I910 HydrophobicContact CG-CD1 4.47Å; R908-I910 HydrophobicContact CG-CG1 4.08Å
909	L	94.6	Very high	88.5	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.7	176.2	172.6	61.5	0	0	0	107.9	D865 A866 L868 V878 V880 P894 D898 F899 T911 L930	D865-L909 CarbonylContact C-O 3.4Å; D865-L909 WeakPolarHBondContact CA-O 3.36Å; A866-L909 HydrophobicContact CB-CB 4.49Å; A866-L909 PolarHBondContact N-O 2.85Å; A866-L909 PolarHBondContact O-N 3.2Å; L868-L909 HydrophobicContact CD1-CB 4.21Å; V878-L909 HydrophobicContact CG1-CD2 4.23Å; V880-L909 HydrophobicContact CG2-CD2 4.42Å; P894-L909 HydrophobicContact CB-CD1 3.76Å; P894-L909 HydrophobicContact CB-CD2 4.47Å; P894-L909 HydrophobicContact CG-CD1 4.29Å; P894-L909 HydrophobicContact CG-CD2 4.12Å; D898-L909 HydrophobicContact CB-CD1 3.95Å; F899-L909 HydrophobicContact CD1-CB 4.37Å; F899-L909 HydrophobicContact CD1-CD1 4.04Å; F899-L909 HydrophobicContact CD2-CD1 4.31Å; F899-L909 HydrophobicContact CE1-CB 4.31Å; F899-L909 HydrophobicContact CE1-CD1 3.81Å; F899-L909 HydrophobicContact CE1-CD2 4.39Å; F899-L909 HydrophobicContact CE1-CG 4.4Å; F899-L909 HydrophobicContact CE2-CD1 4.11Å; F899-L909 HydrophobicContact CG-CD1 4.29Å; F899-L909 HydrophobicContact CZ-CD1 3.86Å; L909-T911 HydrophobicContact CD1-CG2 4.04Å; L909-T911 HydrophobicContact CD2-CG2 4.18Å; L909-T911 HydrophobicContact CG-CG2 4Å; L909-L930 HydrophobicContact CD2-CD2 4.14Å
910	I	91.8	Very high	88.4	Confident	42 Å²	42	60.9 Å²	60.9	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	99.8	173.6	-53	176.4	0	0	0	107.1	I864 D898 R908	I864-I910 CarbonylContact O-C 3.48Å; I864-I910 WeakPolarHBondContact O-CA 3.31Å; D898-I910 VanDerWaalsContact CB-O 3.23Å; D898-I910 WeakPolarHBondContact CB-O 3.4Å; D898-I910 PolarHBondContact O-N 2.71Å; R908-I910 HydrophobicContact CG-CD1 4.47Å; R908-I910 HydrophobicContact CG-CG1 4.08Å
911	T	93.1	Very high	88.4	Confident	11 Å²	11	62.4 Å²	62.4	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158.2	-173.1	-166.4	0	0	0	0	111.6	I864 V880 P894 D898 L909	I864-T911 HydrophobicContact CB-CG2 4.1Å; I864-T911 PolarHBondContact N-O 3.34Å; I864-T911 PolarHBondContact O-N 3.29Å; V880-T911 HydrophobicContact CG2-CG2 4.41Å; P894-T911 HydrophobicContact CB-CG2 4.48Å; D898-T911 VanDerWaalsContact OD2-CB 3.26Å; D898-T911 WeakPolarHBondContact OD2-CB 3.39Å; D898-T911 PolarHBondContact OD2-OG1 3.37Å; L909-T911 HydrophobicContact CD1-CG2 4.04Å; L909-T911 HydrophobicContact CD2-CG2 4.18Å; L909-T911 HydrophobicContact CG-CG2 4Å
912	Q	92.5	Very high	88.5	Confident	89 Å²	89	61.9 Å²	61.9	42%	0.416	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	124.4	174.4	-69.4	-168.1	-24.3	0	0	110.4	D863 Y914	D863-Q912 VanDerWaalsContact OD1-CG 3.23Å; D863-Q912 WeakPolarHBondContact OD1-CG 3.32Å; D863-Q912 PolarHBondContact OD1-NE2 3.02Å; Q912-Y914 HydrophobicContact CB-CE2 4.49Å; Q912-Y914 PolarHBondContact OE1-OH 3.43Å
913	V	92.4	Very high	89	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.9	173.8	160	0	0	0	0	109.6	L862 I864 V880 V882 I892 L915	L862-V913 HydrophobicContact CB-CB 4.49Å; L862-V913 PolarHBondContact N-O 3.08Å; L862-V913 PolarHBondContact O-N 3.22Å; I864-V913 HydrophobicContact CD1-CB 3.98Å; I864-V913 HydrophobicContact CD1-CG2 3.4Å; I864-V913 VanDerWaalsContact CD1-CG2 3.4Å; I864-V913 HydrophobicContact CG1-CG2 4.31Å; V880-V913 HydrophobicContact CB-CG2 4.26Å; V880-V913 HydrophobicContact CG1-CG2 3.9Å; V880-V913 HydrophobicContact CG2-CG2 4.47Å; V882-V913 HydrophobicContact CG2-CG1 3.75Å; I892-V913 HydrophobicContact CD1-CB 4.12Å; I892-V913 HydrophobicContact CD1-CG1 3.39Å; I892-V913 HydrophobicContact CD1-CG2 3.87Å; V913-L915 HydrophobicContact CG1-CD2 3.68Å; V913-L915 HydrophobicContact CG1-CG 4.23Å
914	Y	91	Very high	89.5	Confident	124 Å²	124	60.7 Å²	60.7	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.5	177.8	-58.2	-75.1	0	0	0	110.4	V860 A861 Q912	V860-Y914 WeakPolarHBondContact O-CA 3.27Å; A861-Y914 HydrophobicContact CB-CD1 4.04Å; A861-Y914 HydrophobicContact CB-CE1 3.87Å; Q912-Y914 HydrophobicContact CB-CE2 4.49Å; Q912-Y914 PolarHBondContact OE1-OH 3.43Å
915	L	90.1	Very high	90.1	Very high	2 Å²	2	59 Å²	59	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	135.6	177.5	-54.4	176.9	0	0	0	109.3	V859 V860 L862 V882 V913 I977	V859-L915 CarbonylContact C-O 3.59Å; V859-L915 WeakPolarHBondContact CA-O 3.49Å; V860-L915 HydrophobicContact CG1-CB 3.81Å; V860-L915 HydrophobicContact CG1-CD1 4.44Å; V860-L915 PolarHBondContact N-O 2.88Å; V860-L915 PolarHBondContact O-N 3.5Å; L862-L915 HydrophobicContact CB-CD1 4.15Å; L862-L915 HydrophobicContact CB-CG 4.48Å; L862-L915 HydrophobicContact CD2-CD1 4.23Å; V882-L915 HydrophobicContact CB-CD2 4.41Å; V882-L915 HydrophobicContact CG1-CD2 3.66Å; V882-L915 HydrophobicContact CG2-CD2 4.03Å; V913-L915 HydrophobicContact CG1-CD2 3.68Å; V913-L915 HydrophobicContact CG1-CG 4.23Å; L915-I977 HydrophobicContact CD1-CG2 4.31Å
916	S	87.9	Confident	90.5	Very high	52 Å²	52	55.9 Å²	55.9	36%	0.364	29%	0.289	S	S	.	.			trans	-144.5	133.1	172	177.3	0	0	0	0	109
917	H	87.8	Confident	90.7	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.148	28%	0.276	C	S	.	.			trans	-152.1	159.5	179.2	-156.5	-75.1	0	0	0	111.3	G857 Y884 D886 W920 P979	G857-H917 PolarHBondContact N-O 2.68Å; Y884-H917 AromaticContact CD1-CD2 3.94Å; D886-H917 IonicContact OD2-NE2 3.86Å; H917-W920 AromaticContact CE1-NE1 3.2Å; H917-W920 PolarHBondContact CE1-NE1 2.69Å; H917-W920 AromaticContact CG-NE1 3.54Å; H917-W920 AromaticContact ND1-CD1 3.69Å; H917-W920 AromaticContact ND1-CE2 3.83Å; H917-W920 AromaticContact ND1-NE1 2.89Å; H917-W920 PolarHBondContact ND1-NE1 3.08Å; H917-W920 AromaticContact NE2-NE1 3.92Å; H917-P979 HydrophobicContact CB-CG 4.11Å
918	T	88.4	Confident	90.8	Very high	100 Å²	100	51 Å²	51	61%	0.613	27%	0.271	S	S	*	.			trans	-62.6	159	165.9	56.5	0	0	0	0	111.4	P979	T918-P979 WeakPolarHBondContact O-CB 3.16Å
919	A	89.1	Confident	90.9	Very high	47 Å²	47	51.8 Å²	51.8	39%	0.388	27%	0.274	S	S	.	.			trans	-58.8	139.6	-176.8	0	0	0	0	0	112.7	P979 P981	A919-P979 WeakPolarHBondContact CA-O 3.45Å; A919-P981 HydrophobicContact CB-CB 4.45Å
920	W	89.8	Confident	91	Very high	43 Å²	43	51.8 Å²	51.8	16%	0.163	27%	0.274	C	S	.	.			trans	-108	151.4	174.9	-63.3	-7.3	0	0	0	111.3	Y884 P885 H917 V926 I977 P979	Y884-W920 HydrophobicContact CD1-CH2 4.48Å; Y884-W920 HydrophobicContact CD1-CZ2 4.22Å; P885-W920 HydrophobicContact CG-CH2 3.6Å; P885-W920 HydrophobicContact CG-CZ2 4.11Å; P885-W920 HydrophobicContact CG-CZ3 4.06Å; H917-W920 AromaticContact CE1-NE1 3.2Å; H917-W920 PolarHBondContact CE1-NE1 2.69Å; H917-W920 AromaticContact CG-NE1 3.54Å; H917-W920 AromaticContact ND1-CD1 3.69Å; H917-W920 AromaticContact ND1-CE2 3.83Å; H917-W920 AromaticContact ND1-NE1 2.89Å; H917-W920 PolarHBondContact ND1-NE1 3.08Å; H917-W920 AromaticContact NE2-NE1 3.92Å; W920-V926 HydrophobicContact CH2-CG2 3.74Å; W920-V926 HydrophobicContact CZ3-CG2 4.49Å; W920-I977 HydrophobicContact CE3-CG1 4.09Å; W920-I977 HydrophobicContact CH2-CD1 3.45Å; W920-I977 VanDerWaalsContact CH2-CD1 3.45Å; W920-I977 HydrophobicContact CH2-CG1 3.41Å; W920-I977 VanDerWaalsContact CH2-CG1 3.41Å; W920-I977 HydrophobicContact CZ2-CD1 4.08Å; W920-I977 HydrophobicContact CZ2-CG1 4.39Å; W920-I977 HydrophobicContact CZ3-CD1 3.82Å; W920-I977 HydrophobicContact CZ3-CG1 3.22Å; W920-P979 VanDerWaalsContact CD2-CD 3.47Å; W920-P979 HydrophobicContact CD2-CG 3.77Å; W920-P979 HydrophobicContact CE3-CG 4.25Å; W920-P979 HydrophobicContact CG-CG 3.89Å; W920-P979 PolarHBondContact N-O 2.69Å
921	T	87.3	Confident	91.2	Very high	143 Å²	143	49.8 Å²	49.8	88%	0.877	26%	0.264	S	S	*	.	S	Bend	trans	-76.6	-31.1	176.7	47.6	0	0	0	0	112.4
922	E	88.1	Confident	91.2	Very high	131 Å²	131	49.7 Å²	49.7	61%	0.612	26%	0.263	S	S	*	.	S	Bend	trans	-139.9	155.1	-178.9	62.1	-173.5	179.6	0	0	111.1	S924	E922-S924 PolarHBondContact O-N 3.34Å
923	P	88.5	Confident	91.1	Very high	52 Å²	52	45.8 Å²	45.8	34%	0.338	25%	0.246	S	C	.	.			trans	-60.6	134	169.2	-15.8	28.6	0	0	0	110.5	P851 F976 I977 M978	P851-P923 HydrophobicContact CB-CB 3.81Å; P851-P923 HydrophobicContact CB-CG 4.3Å; P851-P923 HydrophobicContact CG-CB 4.19Å; P851-P923 HydrophobicContact CG-CG 4.16Å; P923-F976 HydrophobicContact CB-CD1 4.41Å; P923-I977 WeakPolarHBondContact CA-O 3.46Å; P923-M978 HydrophobicContact CB-CB 4.25Å; P923-M978 HydrophobicContact CG-CB 4.34Å; P923-M978 HydrophobicContact CG-CG 4.25Å; P923-M978 HydrophobicContact CG-SD 3.92Å
924	S	90.3	Very high	90.9	Very high	37 Å²	37	47.3 Å²	47.3	26%	0.259	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	162.4	179.2	-167.1	0	0	0	0	111.6	P885 E922 F976 I977	P885-S924 WeakPolarHBondContact CG-OG 3.42Å; E922-S924 PolarHBondContact O-N 3.34Å; S924-F976 WeakPolarHBondContact O-CA 3.23Å; S924-I977 PolarHBondContact N-O 3.27Å; S924-I977 VanDerWaalsContact N-O 3.09Å; S924-I977 PolarHBondContact O-N 3.2Å
925	Q	91.2	Very high	90.3	Very high	76 Å²	76	45.2 Å²	45.2	36%	0.355	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	125.8	-176.3	-66.4	-178.8	-22.6	0	0	110.5	K974 V975 F976	Q925-K974 VanDerWaalsContact OE1-CD 3.32Å; Q925-V975 WeakPolarHBondContact CA-O 3.16Å; Q925-F976 HydrophobicContact CG-CD1 3.97Å; Q925-F976 HydrophobicContact CG-CD2 4.2Å; Q925-F976 HydrophobicContact CG-CE1 3.61Å; Q925-F976 HydrophobicContact CG-CE2 3.87Å; Q925-F976 HydrophobicContact CG-CG 4.26Å; Q925-F976 HydrophobicContact CG-CZ 3.56Å; Q925-F976 VanDerWaalsContact NE2-CE2 3.25Å
926	V	92	Very high	88.6	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.4	165.3	172.7	0	0	0	0	108.7	V882 L883 Y884 W920 K974 V975 I977	V882-V926 HydrophobicContact CG1-CG1 3.26Å; L883-V926 WeakPolarHBondContact O-CG1 3.17Å; Y884-V926 HydrophobicContact CD1-CG1 4.48Å; Y884-V926 HydrophobicContact CD1-CG2 3.82Å; Y884-V926 HydrophobicContact CE1-CG2 4.25Å; W920-V926 HydrophobicContact CH2-CG2 3.74Å; W920-V926 HydrophobicContact CZ3-CG2 4.49Å; V926-K974 CarbonylContact O-C 3.56Å; V926-K974 WeakPolarHBondContact O-CA 3.28Å; V926-V975 PolarHBondContact N-O 3.03Å; V926-V975 PolarHBondContact O-N 3.15Å; V926-I977 HydrophobicContact CB-CD1 4.47Å; V926-I977 HydrophobicContact CG2-CD1 3.4Å; V926-I977 VanDerWaalsContact CG2-CD1 3.4Å; V926-I977 HydrophobicContact CG2-CG1 3.72Å
927	E	93.9	Very high	86.5	Confident	44 Å²	44	47.3 Å²	47.3	21%	0.206	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.1	178.3	-172.3	-174.5	137.6	0	0	110	V882 L883 R929 P972 V973	V882-E927 CarbonylContact C-O 3.53Å; V882-E927 WeakPolarHBondContact CA-O 3.27Å; L883-E927 HydrophobicContact CB-CB 4.18Å; L883-E927 PolarHBondContact N-O 3.16Å; L883-E927 PolarHBondContact O-N 3.23Å; E927-R929 IonicContact OE1-CZ 3.59Å; E927-R929 IonicContact OE1-NE 2.89Å; E927-R929 IonicContact OE1-NH1 3Å; E927-R929 PolarHBondContact OE1-NH1 2.86Å; E927-P972 HydrophobicContact CG-CB 3.35Å; E927-P972 HydrophobicContact CG-CG 4.45Å; E927-P972 WeakPolarHBondContact OE1-CB 3.18Å; E927-V973 WeakPolarHBondContact CA-O 3.16Å
928	V	94.6	Very high	84.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.9	176.9	-176.8	0	0	0	0	109	L862 I864 V880 Q881 P972 V973 V975	L862-V928 HydrophobicContact CD2-CG2 3.89Å; I864-V928 HydrophobicContact CD1-CG1 3.7Å; V880-V928 HydrophobicContact CG1-CG1 3.95Å; Q881-V928 WeakPolarHBondContact O-CA 3.48Å; V928-P972 WeakPolarHBondContact O-CA 3.35Å; V928-V973 PolarHBondContact N-O 2.79Å; V928-V973 PolarHBondContact O-N 3.05Å; V928-V975 HydrophobicContact CG2-CG2 4.28Å
929	R	95.4	Very high	81.5	Confident	61 Å²	61	49.5 Å²	49.5	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	158.1	177.7	64	-171.9	175.6	-153.3	0.9	112.3	Q881 E927 L931 P972	Q881-R929 HydrophobicContact CB-CG 4.06Å; Q881-R929 PolarHBondContact N-O 3.19Å; Q881-R929 PolarHBondContact O-N 3.4Å; E927-R929 IonicContact OE1-CZ 3.59Å; E927-R929 IonicContact OE1-NE 2.89Å; E927-R929 IonicContact OE1-NH1 3Å; E927-R929 PolarHBondContact OE1-NH1 2.86Å; R929-L931 HydrophobicContact CG-CD2 4.31Å; R929-P972 HydrophobicContact CB-CB 4.36Å
930	L	96.3	Very high	78.4	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.8	177.8	-58.5	174.9	0	0	0	110.6	A839 I841 A866 L868 K879 V880 L909 F969 S970	A839-L930 HydrophobicContact CB-CB 4.31Å; A839-L930 HydrophobicContact CB-CD1 3.65Å; I841-L930 HydrophobicContact CD1-CG 4.27Å; I841-L930 HydrophobicContact CG1-CD1 4.04Å; I841-L930 HydrophobicContact CG1-CG 4.19Å; A866-L930 HydrophobicContact CB-CD1 3.56Å; L868-L930 HydrophobicContact CD2-CD1 3.88Å; K879-L930 WeakPolarHBondContact O-CA 3.33Å; V880-L930 HydrophobicContact CB-CD2 4.36Å; V880-L930 HydrophobicContact CG1-CD2 4.43Å; V880-L930 HydrophobicContact CG2-CD2 3.66Å; L909-L930 HydrophobicContact CD2-CD2 4.14Å; L930-F969 HydrophobicContact CB-CD1 4.26Å; L930-F969 HydrophobicContact CB-CE1 3.65Å; L930-F969 HydrophobicContact CB-CZ 4.12Å; L930-F969 VanDerWaalsContact O-CD1 3.32Å; L930-F969 WeakPolarHBondContact O-CD1 3.23Å; L930-F969 PolarHBondContact O-N 3.24Å; L930-F969 VanDerWaalsContact O-N 3.08Å; L930-S970 PolarHBondContact N-OG 3.35Å
931	L	94.6	Very high	75.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.7	179.9	-57	-175.3	0	0	0	110.5	V878 K879 Q881 V891 R929 T966 I967 P968 F969	V878-L931 CarbonylContact C-O 3.54Å; V878-L931 WeakPolarHBondContact CA-O 3.2Å; K879-L931 HydrophobicContact CB-CB 4.3Å; K879-L931 PolarHBondContact N-O 3.28Å; K879-L931 PolarHBondContact O-N 2.74Å; Q881-L931 HydrophobicContact CB-CD1 3.62Å; Q881-L931 HydrophobicContact CB-CD2 4.38Å; Q881-L931 HydrophobicContact CB-CG 3.83Å; Q881-L931 HydrophobicContact CG-CD1 4.26Å; V891-L931 HydrophobicContact CG2-CD1 4.24Å; R929-L931 HydrophobicContact CG-CD2 4.31Å; L931-T966 HydrophobicContact CD1-CG2 4.13Å; L931-I967 CarbonylContact C-O 3.57Å; L931-I967 WeakPolarHBondContact CA-O 3.08Å; L931-P968 HydrophobicContact CD2-CB 3.81Å; L931-F969 VanDerWaalsContact C-CE1 3.43Å; L931-F969 WeakPolarHBondContact O-CE1 3.32Å
932	L	93.1	Very high	72.5	Confident	8 Å²	8	52.9 Å²	52.9	4%	0.042	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.6	170.5	-166.5	72.8	0	0	0	108.7	F726 V871 K877 V878 T966 I967 F969	F726-L932 WeakPolarHBondContact O-CD2 3.47Å; V871-L932 HydrophobicContact CG1-CD1 3.94Å; K877-L932 HydrophobicContact CB-CD1 3.77Å; K877-L932 HydrophobicContact CB-CG 4.49Å; K877-L932 CarbonylContact O-C 3.54Å; V878-L932 HydrophobicContact CG2-CD1 4.34Å; L932-T966 CarbonylContact O-C 3.58Å; L932-T966 WeakPolarHBondContact O-CA 3.42Å; L932-I967 PolarHBondContact N-O 3.39Å; L932-I967 PolarHBondContact O-N 2.9Å; L932-F969 HydrophobicContact CB-CD1 3.96Å; L932-F969 HydrophobicContact CB-CE1 4.28Å; L932-F969 HydrophobicContact CB-CG 4.47Å
933	A	91.3	Very high	69.5	Low	7 Å²	7	51.7 Å²	51.7	6%	0.058	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	143.9	177.5	0	0	0	0	0	111.3	K877 K879 G965	K877-A933 WeakPolarHBondContact O-CB 3.37Å; K877-A933 PolarHBondContact O-N 3.15Å; K879-A933 HydrophobicContact CD-CB 4.44Å; K879-A933 VanDerWaalsContact CE-CB 3.42Å; K879-A933 HydrophobicContact CG-CB 4.06Å; A933-G965 CarbonylContact C-O 3.59Å; A933-G965 VanDerWaalsContact CA-O 3.31Å; A933-G965 WeakPolarHBondContact CA-O 3.44Å
934	Y	87.3	Confident	66.7	Low	33 Å²	33	53.7 Å²	53.7	13%	0.129	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.8	174.4	65.5	-86.2	0	0	0	110.8	Y722 F726 S936 E964 G965 I967	Y722-Y934 HydrophobicContact CD1-CD2 4.39Å; Y722-Y934 AromaticContact CD1-CE2 3.6Å; Y722-Y934 HydrophobicContact CD1-CE2 3.6Å; Y722-Y934 HydrophobicContact CE1-CE2 4.09Å; Y722-Y934 AromaticContact CG-CE2 3.85Å; Y722-Y934 HydrophobicContact CG-CE2 3.85Å; Y722-Y934 AromaticContact CG-CZ 3.89Å; F726-Y934 HydrophobicContact CB-CG 4.33Å; F726-Y934 HydrophobicContact CD1-CG 4.41Å; F726-Y934 HydrophobicContact CD2-CD1 4.2Å; F726-Y934 AromaticContact CD2-CD2 3.46Å; F726-Y934 HydrophobicContact CD2-CD2 3.46Å; F726-Y934 VanDerWaalsContact CD2-CD2 3.46Å; F726-Y934 HydrophobicContact CD2-CE2 4.07Å; F726-Y934 AromaticContact CD2-CG 3.52Å; F726-Y934 HydrophobicContact CD2-CG 3.52Å; F726-Y934 AromaticContact CE2-CD2 3.35Å; F726-Y934 HydrophobicContact CE2-CD2 3.35Å; F726-Y934 AromaticContact CE2-CE2 3.99Å; F726-Y934 HydrophobicContact CE2-CE2 3.99Å; F726-Y934 AromaticContact CE2-CG 3.86Å; F726-Y934 HydrophobicContact CE2-CG 3.86Å; F726-Y934 HydrophobicContact CG-CD1 4.46Å; F726-Y934 HydrophobicContact CG-CD2 4.21Å; F726-Y934 AromaticContact CG-CG 3.83Å; F726-Y934 HydrophobicContact CG-CG 3.83Å; F726-Y934 HydrophobicContact CZ-CD2 4.02Å; F726-Y934 HydrophobicContact CZ-CG 4.43Å; Y934-S936 PolarHBondContact O-N 2.83Å; Y934-E964 WeakPolarHBondContact O-CA 3.25Å; Y934-G965 VanDerWaalsContact CD1-C 3.44Å; Y934-G965 WeakPolarHBondContact CD1-O 3.49Å; Y934-G965 PolarHBondContact N-O 2.78Å; Y934-G965 PolarHBondContact O-N 2.77Å; Y934-I967 HydrophobicContact CD1-CD1 3.74Å; Y934-I967 HydrophobicContact CD1-CG1 4.03Å; Y934-I967 HydrophobicContact CE1-CD1 3.74Å; Y934-I967 HydrophobicContact CE1-CG1 3.68Å
935	S	78.7	Confident	63.5	Low	79 Å²	79	59.2 Å²	59.2	55%	0.552	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	120.3	174.5	-179	0	0	0	0	109.8
936	S	55.8	Low	60.5	Low	54 Å²	54	65.5 Å²	65.5	38%	0.378	40%	0.398	S	S	.	.			trans	-85.7	-9.7	-179.8	65.2	0	0	0	0	113.5	Y934 V963	Y934-S936 PolarHBondContact O-N 2.83Å; S936-V963 PolarHBondContact OG-O 2.92Å
937	S	43.8	Very low	57.5	Low	44 Å²	44	71 Å²	71	31%	0.308	44%	0.436	S	S	.	.			trans	-114.8	93.5	-172.3	59.8	0	0	0	0	112.5	S939	S937-S939 PolarHBondContact O-N 3.29Å
938	S	39	Very low	54.2	Low	87 Å²	87	72.2 Å²	72.2	61%	0.608	46%	0.461	S	S	*	.	S	Bend	trans	-83.2	8.6	163.7	55.9	0	0	0	0	113.3
939	S	31.4	Very low	50.9	Low	92 Å²	92	84.9 Å²	84.9	64%	0.643	51%	0.509	S	S	*	.	S	Bend	trans	-121.5	17.3	-172.6	60	0	0	0	0	116.3	S937	S937-S939 PolarHBondContact O-N 3.29Å
940	S	24.7	Very low	47.5	Very low	75 Å²	75	87.3 Å²	87.3	52%	0.524	54%	0.535	S	S	.	.			trans	-117.5	108.8	165.7	54	0	0	0	0	109.9	S942	S940-S942 PolarHBondContact O-N 3.42Å
941	P	27.4	Very low	44.2	Very low	119 Å²	119	95 Å²	95	77%	0.773	58%	0.576	S	S	*	*			trans	-57.3	132.8	163.4	25.9	-31.5	0	0	0	107.8	S943	P941-S943 PolarHBondContact O-N 2.91Å
942	S	25.5	Very low	41	Very low	109 Å²	109	100.4 Å²	100.4	76%	0.762	61%	0.614	S	S	*	*			trans	-32.9	97.5	178.3	52.6	0	0	0	0	113.7	S940 S944	S940-S942 PolarHBondContact O-N 3.42Å; S942-S944 PolarHBondContact O-N 2.96Å; S942-S944 VanDerWaalsContact O-N 3.1Å
943	S	25.3	Very low	38.1	Very low	106 Å²	106	107.5 Å²	107.5	74%	0.741	65%	0.65	S	S	*	*			trans	-83.2	69.8	161.9	62.4	0	0	0	0	108.4	P941 N945	P941-S943 PolarHBondContact O-N 2.91Å; S943-N945 PolarHBondContact O-N 3.02Å
944	S	28.5	Very low	35.2	Very low	95 Å²	95	114.9 Å²	114.9	66%	0.664	69%	0.689	S	S	*	*			trans	-75.4	63	163.9	61.4	0	0	0	0	109.4	S942 K946	S942-S944 PolarHBondContact O-N 2.96Å; S942-S944 VanDerWaalsContact O-N 3.1Å; S944-K946 PolarHBondContact O-N 3.32Å
945	N	24	Very low	32.3	Very low	152 Å²	152	116.8 Å²	116.8	81%	0.813	72%	0.718	S	S	*	*			trans	-90.2	85.2	162.3	-87	-7.2	0	0	0	107.2	S943 S947	S943-N945 PolarHBondContact O-N 3.02Å; N945-S947 VanDerWaalsContact C-N 3.29Å; N945-S947 PolarHBondContact O-N 3.21Å
946	K	28	Very low	29.8	Very low	209 Å²	209	120.9 Å²	120.9	91%	0.909	73%	0.734	S	S	*	*			trans	-65.2	96.3	158.4	-77	-176.3	175.5	-179.5	0	106.8	S944	S944-K946 PolarHBondContact O-N 3.32Å
947	S	28.4	Very low	28.4	Very low	115 Å²	115	123.8 Å²	123.8	80%	0.804	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-64.3	134.4	167.8	48.6	0	0	0	0	109.3	N945	N945-S947 VanDerWaalsContact C-N 3.29Å; N945-S947 PolarHBondContact O-N 3.21Å
948	G	24.8	Very low	27.6	Very low	71 Å²	71	128 Å²	128	73%	0.732	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62	158.2	-174.3	0	0	0	0	0	114.1	S950	G948-S950 PolarHBondContact O-N 3.47Å
949	W	25.4	Very low	27.1	Very low	265 Å²	265	128 Å²	128	100%	1.004	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-47.9	127	172	-69.4	-16.1	0	0	0	112.3
950	S	24.8	Very low	27.1	Very low	112 Å²	112	132 Å²	132	78%	0.783	79%	0.791	S	S	*	*			trans	-121.6	115.1	153.4	61.3	0	0	0	0	107.6	G948 S952	G948-S950 PolarHBondContact O-N 3.47Å; S950-S952 PolarHBondContact O-N 2.76Å
951	D	26.8	Very low	27.3	Very low	161 Å²	161	133 Å²	133	86%	0.861	80%	0.804	S	S	*	*			trans	-57.9	115.1	167.5	-76.1	-41.8	0	0	0	109.7
952	S	26.1	Very low	27.7	Very low	115 Å²	115	130.8 Å²	130.8	80%	0.804	80%	0.796	S	S	*	*			trans	-162.5	116.1	151.9	-77.7	0	0	0	0	109	S950	S950-S952 PolarHBondContact O-N 2.76Å
953	I	33.8	Very low	28.4	Very low	157 Å²	157	130.8 Å²	130.8	81%	0.805	79%	0.791	S	S	*	*	S	Bend	trans	-57.4	144.6	167.3	-84	157.7	0	0	0	109.5
954	D	30.2	Very low	30.1	Very low	162 Å²	162	130.5 Å²	130.5	87%	0.866	78%	0.778	S	S	*	*			trans	77.9	84.7	178.3	-63.1	-24.8	0	0	0	117.3
955	G	24.9	Very low	32.6	Very low	73 Å²	73	126.6 Å²	126.6	75%	0.753	75%	0.753	S	S	*	*			trans	-166.1	128.4	162.4	0	0	0	0	0	111.1
956	L	26.9	Very low	35.6	Very low	166 Å²	166	122.3 Å²	122.3	87%	0.869	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-47.1	144.3	172.7	-76.3	140.3	0	0	0	111.4
957	P	27.1	Very low	38.7	Very low	115 Å²	115	112.7 Å²	112.7	75%	0.747	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-59.6	134.4	178.9	24.7	-31.9	0	0	0	110
958	P	26.6	Very low	41.7	Very low	131 Å²	131	110.5 Å²	110.5	85%	0.851	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-65.6	141.1	179.4	25.9	-32	0	0	0	110.9
959	A	29.4	Very low	45	Very low	88 Å²	88	107.6 Å²	107.6	73%	0.727	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-75.1	146.8	178.7	0	0	0	0	0	112.4
960	E	30.5	Very low	48.3	Very low	176 Å²	176	95.7 Å²	95.7	82%	0.822	60%	0.598	S	S	*	*			trans	72.4	83.1	157.4	-64.6	175.5	-178.4	0	0	117.5
961	A	29.3	Very low	51.4	Low	96 Å²	96	99 Å²	99	79%	0.793	60%	0.598	S	S	*	*	S	Bend	trans	-55.8	147.9	141.4	0	0	0	0	0	109.3
962	A	34.5	Very low	54.5	Low	73 Å²	73	94.6 Å²	94.6	60%	0.603	58%	0.578	S	S	*	*	S	Bend	trans	-23.1	131.4	-176	0	0	0	0	0	114.8	E964	A962-E964 VanDerWaalsContact C-N 3.3Å; A962-E964 PolarHBondContact O-N 3.28Å
963	V	41.1	Very low	57.8	Low	108 Å²	108	90 Å²	90	66%	0.655	55%	0.545	S	S	*	.			trans	-54.7	88.9	-177.3	-175	0	0	0	0	111	S936 G965	S936-V963 PolarHBondContact OG-O 2.92Å; V963-G965 PolarHBondContact O-N 2.84Å
964	E	59.9	Low	60.5	Low	100 Å²	100	87.7 Å²	87.7	47%	0.467	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	117.3	169	-76.7	-175.3	179.5	0	0	106.8	K879 Y934 A962	K879-E964 WeakPolarHBondContact CE-OE2 3.34Å; K879-E964 IonicContact NZ-OE1 2.65Å; K879-E964 IonicContact NZ-OE2 2.74Å; K879-E964 PolarHBondContact NZ-OE2 3.16Å; K879-E964 VanDerWaalsContact NZ-OE2 3.07Å; Y934-E964 WeakPolarHBondContact O-CA 3.25Å; A962-E964 VanDerWaalsContact C-N 3.3Å; A962-E964 PolarHBondContact O-N 3.28Å
965	G	80.9	Confident	63.4	Low	13 Å²	13	80.6 Å²	80.6	13%	0.134	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	150	166.5	0	0	0	0	0	109.1	A933 Y934 V963	A933-G965 CarbonylContact C-O 3.59Å; A933-G965 VanDerWaalsContact CA-O 3.31Å; A933-G965 WeakPolarHBondContact CA-O 3.44Å; Y934-G965 VanDerWaalsContact CD1-C 3.44Å; Y934-G965 WeakPolarHBondContact CD1-O 3.49Å; Y934-G965 PolarHBondContact N-O 2.78Å; Y934-G965 PolarHBondContact O-N 2.77Å; V963-G965 PolarHBondContact O-N 2.84Å
966	T	88.9	Confident	66.6	Low	63 Å²	63	79.4 Å²	79.4	39%	0.387	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.8	178.4	56.1	0	0	0	0	111.8	L931 L932	L931-T966 HydrophobicContact CD1-CG2 4.13Å; L932-T966 CarbonylContact O-C 3.58Å; L932-T966 WeakPolarHBondContact O-CA 3.42Å
967	I	91.6	Very high	69.6	Low	6 Å²	6	71.5 Å²	71.5	3%	0.031	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	120	177.9	-64.5	156.4	0	0	0	108.7	K723 F726 L727 L931 L932 Y934 F969	K723-I967 HydrophobicContact CG-CD1 4.43Å; K723-I967 HydrophobicContact CG-CG1 4.26Å; K723-I967 HydrophobicContact CG-CG2 3.96Å; F726-I967 HydrophobicContact CB-CD1 3.83Å; L727-I967 HydrophobicContact CD1-CG2 4.14Å; L931-I967 CarbonylContact C-O 3.57Å; L931-I967 WeakPolarHBondContact CA-O 3.08Å; L932-I967 PolarHBondContact N-O 3.39Å; L932-I967 PolarHBondContact O-N 2.9Å; Y934-I967 HydrophobicContact CD1-CD1 3.74Å; Y934-I967 HydrophobicContact CD1-CG1 4.03Å; Y934-I967 HydrophobicContact CE1-CD1 3.74Å; Y934-I967 HydrophobicContact CE1-CG1 3.68Å; I967-F969 PolarHBondContact O-N 3.08Å
968	P	92.1	Very high	72.6	Confident	69 Å²	69	67.5 Å²	67.5	45%	0.448	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	129.9	171.4	28	-32.6	0	0	0	110.2	L931	L931-P968 HydrophobicContact CD2-CB 3.81Å
969	F	93.7	Very high	75.6	Confident	10 Å²	10	61.3 Å²	61.3	4%	0.044	36%	0.356	C	S	.	.			trans	-132.3	3.5	-178.6	77.8	-67.4	0	0	0	113.9	L727 A837 A839 L868 V871 V878 L930 L931 L932 I967	L727-F969 HydrophobicContact CD1-CB 3.57Å; A837-F969 HydrophobicContact CB-CD2 4.46Å; A839-F969 HydrophobicContact CB-CD2 3.69Å; A839-F969 HydrophobicContact CB-CE1 4.43Å; A839-F969 HydrophobicContact CB-CE2 3.32Å; A839-F969 HydrophobicContact CB-CG 4.4Å; A839-F969 HydrophobicContact CB-CZ 3.73Å; A839-F969 PolarHBondContact N-O 3.37Å; A839-F969 VanDerWaalsContact N-O 3.1Å; L868-F969 HydrophobicContact CD2-CE2 4.18Å; L868-F969 HydrophobicContact CD2-CZ 4.03Å; V871-F969 HydrophobicContact CG2-CD2 4.44Å; V871-F969 HydrophobicContact CG2-CE2 3.68Å; V871-F969 HydrophobicContact CG2-CZ 4.4Å; V878-F969 HydrophobicContact CG1-CE1 4.32Å; V878-F969 HydrophobicContact CG1-CZ 4.12Å; V878-F969 HydrophobicContact CG2-CE1 4.46Å; V878-F969 HydrophobicContact CG2-CZ 3.91Å; L930-F969 HydrophobicContact CB-CD1 4.26Å; L930-F969 HydrophobicContact CB-CE1 3.65Å; L930-F969 HydrophobicContact CB-CZ 4.12Å; L930-F969 VanDerWaalsContact O-CD1 3.32Å; L930-F969 WeakPolarHBondContact O-CD1 3.23Å; L930-F969 PolarHBondContact O-N 3.24Å; L930-F969 VanDerWaalsContact O-N 3.08Å; L931-F969 VanDerWaalsContact C-CE1 3.43Å; L931-F969 WeakPolarHBondContact O-CE1 3.32Å; L932-F969 HydrophobicContact CB-CD1 3.96Å; L932-F969 HydrophobicContact CB-CE1 4.28Å; L932-F969 HydrophobicContact CB-CG 4.47Å; I967-F969 PolarHBondContact O-N 3.08Å
970	S	94.2	Very high	78.4	Confident	15 Å²	15	60.7 Å²	60.7	11%	0.105	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-110.3	159.3	162.2	79.5	0	0	0	0	111.5	A839 L930	A839-S970 VanDerWaalsContact O-CA 3.31Å; A839-S970 WeakPolarHBondContact O-CA 3.48Å; A839-S970 VanDerWaalsContact O-CB 3.3Å; A839-S970 WeakPolarHBondContact O-CB 3.43Å; L930-S970 PolarHBondContact N-OG 3.35Å
971	K	91.8	Very high	81	Confident	181 Å²	181	56.4 Å²	56.4	79%	0.787	33%	0.325	S	S	*	.			trans	-66.9	144	161	-68.7	-177.1	-178.4	177.1	0	109.2
972	P	92.1	Very high	83.3	Confident	69 Å²	69	55 Å²	55	45%	0.448	31%	0.313	S	S	.	.			trans	-71.9	137.5	174.5	27	-31.3	0	0	0	111.6	E927 V928 R929	E927-P972 HydrophobicContact CG-CB 3.35Å; E927-P972 HydrophobicContact CG-CG 4.45Å; E927-P972 WeakPolarHBondContact OE1-CB 3.18Å; V928-P972 WeakPolarHBondContact O-CA 3.35Å; R929-P972 HydrophobicContact CB-CB 4.36Å
973	V	93.6	Very high	85	Confident	18 Å²	18	63.1 Å²	63.1	11%	0.109	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	136.1	173.1	177.5	0	0	0	0	108.8	I841 P844 E927 V928 V975	I841-V973 HydrophobicContact CB-CG2 3.82Å; I841-V973 HydrophobicContact CD1-CB 4.42Å; I841-V973 HydrophobicContact CD1-CG2 3.94Å; I841-V973 HydrophobicContact CG1-CG2 4.44Å; I841-V973 HydrophobicContact CG2-CG2 3.96Å; P844-V973 HydrophobicContact CB-CG1 4.41Å; P844-V973 HydrophobicContact CG-CG1 4Å; P844-V973 WeakPolarHBondContact O-CG1 3.44Å; E927-V973 WeakPolarHBondContact CA-O 3.16Å; V928-V973 PolarHBondContact N-O 2.79Å; V928-V973 PolarHBondContact O-N 3.05Å; V973-V975 HydrophobicContact CG1-CG2 4.49Å
974	K	92.3	Very high	85.4	Confident	109 Å²	109	73 Å²	73	47%	0.474	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.4	179.9	-63.5	-177.4	168.5	-164.3	0	110.2	G846 Q925 V926	G846-K974 VanDerWaalsContact CA-O 3.26Å; G846-K974 WeakPolarHBondContact CA-O 3.41Å; Q925-K974 VanDerWaalsContact OE1-CD 3.32Å; V926-K974 CarbonylContact O-C 3.56Å; V926-K974 WeakPolarHBondContact O-CA 3.28Å
975	V	91.1	Very high	86.7	Confident	14 Å²	14	71.6 Å²	71.6	9%	0.085	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.9	-179.9	-175.6	0	0	0	0	108.9	P844 L852 L862 Q925 V926 V928 V973 I977	P844-V975 HydrophobicContact CB-CG2 4.01Å; P844-V975 HydrophobicContact CG-CG2 3.5Å; L852-V975 HydrophobicContact CD1-CG1 3.68Å; L862-V975 HydrophobicContact CD1-CG1 4.23Å; L862-V975 HydrophobicContact CD2-CG2 4.21Å; Q925-V975 WeakPolarHBondContact CA-O 3.16Å; V926-V975 PolarHBondContact N-O 3.03Å; V926-V975 PolarHBondContact O-N 3.15Å; V928-V975 HydrophobicContact CG2-CG2 4.28Å; V973-V975 HydrophobicContact CG1-CG2 4.49Å; V975-I977 HydrophobicContact CG1-CG2 4.09Å
976	F	90.2	Very high	87	Confident	47 Å²	47	74.7 Å²	74.7	21%	0.206	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.7	173.9	-85.3	-81.2	0	0	0	110.7	P851 L852 P923 S924 Q925	P851-F976 WeakPolarHBondContact CA-O 3.49Å; P851-F976 HydrophobicContact CB-CB 4.14Å; L852-F976 PolarHBondContact N-O 3.39Å; P923-F976 HydrophobicContact CB-CD1 4.41Å; S924-F976 WeakPolarHBondContact O-CA 3.23Å; Q925-F976 HydrophobicContact CG-CD1 3.97Å; Q925-F976 HydrophobicContact CG-CD2 4.2Å; Q925-F976 HydrophobicContact CG-CE1 3.61Å; Q925-F976 HydrophobicContact CG-CE2 3.87Å; Q925-F976 HydrophobicContact CG-CG 4.26Å; Q925-F976 HydrophobicContact CG-CZ 3.56Å; Q925-F976 VanDerWaalsContact NE2-CE2 3.25Å
977	I	90.6	Very high	86.9	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152.4	175.8	74.9	169	0	0	0	111.2	L852 F854 Y884 L915 W920 P923 S924 V926 V975	L852-I977 HydrophobicContact CB-CG2 4.27Å; F854-I977 HydrophobicContact CE1-CB 4.28Å; F854-I977 HydrophobicContact CE1-CD1 4.3Å; Y884-I977 HydrophobicContact CE1-CD1 4.43Å; L915-I977 HydrophobicContact CD1-CG2 4.31Å; W920-I977 HydrophobicContact CE3-CG1 4.09Å; W920-I977 HydrophobicContact CH2-CD1 3.45Å; W920-I977 VanDerWaalsContact CH2-CD1 3.45Å; W920-I977 HydrophobicContact CH2-CG1 3.41Å; W920-I977 VanDerWaalsContact CH2-CG1 3.41Å; W920-I977 HydrophobicContact CZ2-CD1 4.08Å; W920-I977 HydrophobicContact CZ2-CG1 4.39Å; W920-I977 HydrophobicContact CZ3-CD1 3.82Å; W920-I977 HydrophobicContact CZ3-CG1 3.22Å; P923-I977 WeakPolarHBondContact CA-O 3.46Å; S924-I977 PolarHBondContact N-O 3.27Å; S924-I977 VanDerWaalsContact N-O 3.09Å; S924-I977 PolarHBondContact O-N 3.2Å; V926-I977 HydrophobicContact CB-CD1 4.47Å; V926-I977 HydrophobicContact CG2-CD1 3.4Å; V926-I977 VanDerWaalsContact CG2-CD1 3.4Å; V926-I977 HydrophobicContact CG2-CG1 3.72Å; V975-I977 HydrophobicContact CG1-CG2 4.09Å
978	M	90.3	Very high	86.6	Confident	32 Å²	32	79.4 Å²	79.4	16%	0.158	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	90.6	178.3	-172.7	-173.8	-168.2	0	0	110.7	P851 L852 R853 F854 P923 K980	P851-M978 HydrophobicContact CB-CB 4.18Å; L852-M978 PolarHBondContact O-N 3.09Å; R853-M978 WeakPolarHBondContact CA-O 3.22Å; R853-M978 HydrophobicContact CG-CB 4.05Å; R853-M978 HydrophobicContact CG-SD 4.16Å; F854-M978 PolarHBondContact N-O 3.3Å; P923-M978 HydrophobicContact CB-CB 4.25Å; P923-M978 HydrophobicContact CG-CB 4.34Å; P923-M978 HydrophobicContact CG-CG 4.25Å; P923-M978 HydrophobicContact CG-SD 3.92Å; M978-K980 HydrophobicContact CE-CG 4.26Å; M978-K980 HydrophobicContact CG-CG 4.13Å; M978-K980 PolarHBondContact O-N 2.91Å; M978-K980 HydrophobicContact SD-CD 4.38Å; M978-K980 WeakPolarHBondContact SD-CE 3.38Å; M978-K980 HydrophobicContact SD-CG 4.25Å
979	P	89.9	Confident	86.3	Confident	0 Å²	0	80.1 Å²	80.1	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	116.2	169.2	-5.7	19.7	0	0	0	109.8	F854 H917 T918 A919 W920	F854-P979 HydrophobicContact CE1-CB 4.16Å; F854-P979 HydrophobicContact CE1-CG 3.92Å; F854-P979 HydrophobicContact CE2-CB 3.9Å; F854-P979 HydrophobicContact CE2-CG 4.27Å; F854-P979 HydrophobicContact CZ-CB 3.71Å; F854-P979 HydrophobicContact CZ-CG 3.58Å; F854-P979 CarbonylContact O-C 3.56Å; F854-P979 WeakPolarHBondContact O-CA 3.11Å; H917-P979 HydrophobicContact CB-CG 4.11Å; T918-P979 WeakPolarHBondContact O-CB 3.16Å; A919-P979 WeakPolarHBondContact CA-O 3.45Å; W920-P979 VanDerWaalsContact CD2-CD 3.47Å; W920-P979 HydrophobicContact CD2-CG 3.77Å; W920-P979 HydrophobicContact CE3-CG 4.25Å; W920-P979 HydrophobicContact CG-CG 3.89Å; W920-P979 PolarHBondContact N-O 2.69Å
980	K	88	Confident	85.8	Confident	76 Å²	76	84.7 Å²	84.7	33%	0.33	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	143.8	-179.2	-69.8	-170.2	176.7	-173.7	0	111.6	F854 T855 S856 M978	F854-K980 PolarHBondContact O-N 3.1Å; T855-K980 CarbonylContact C-O 3.58Å; T855-K980 WeakPolarHBondContact CA-O 3.04Å; S856-K980 PolarHBondContact N-O 3.18Å; S856-K980 PolarHBondContact OG-O 2.87Å; M978-K980 HydrophobicContact CE-CG 4.26Å; M978-K980 HydrophobicContact CG-CG 4.13Å; M978-K980 PolarHBondContact O-N 2.91Å; M978-K980 HydrophobicContact SD-CD 4.38Å; M978-K980 WeakPolarHBondContact SD-CE 3.38Å; M978-K980 HydrophobicContact SD-CG 4.25Å
981	P	84.9	Confident	85.2	Confident	86 Å²	86	89.7 Å²	89.7	56%	0.558	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-59	148.2	171.8	27.1	-33.3	0	0	0	110.7	A919 R983	A919-P981 HydrophobicContact CB-CB 4.45Å; P981-R983 PolarHBondContact O-N 2.82Å
982	A	77.4	Confident	84.7	Confident	67 Å²	67	82.7 Å²	82.7	55%	0.554	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-54.7	127.1	173.8	0	0	0	0	0	109.5	T855 R984	T855-A982 HydrophobicContact CG2-CB 3.88Å; A982-R984 PolarHBondContact O-N 3.22Å; A982-R984 VanDerWaalsContact O-N 3.13Å
983	R	69.9	Low	84.1	Confident	243 Å²	243	83.8 Å²	83.8	92%	0.917	38%	0.381	S	S	*	.			trans	-63.9	116	170.3	-76.3	-175.7	171.7	-177.8	-2.9	106.9	P981	P981-R983 PolarHBondContact O-N 2.82Å
984	R	51.1	Low	83.2	Confident	314 Å²	314	89.8 Å²	89.8	100%	1.185	41%	0.406	S	S	*	.			trans	-65.9	0	173	-78.6	-173.8	178.6	178.5	-0.7	111.1	A982	A982-R984 PolarHBondContact O-N 3.22Å; A982-R984 VanDerWaalsContact O-N 3.13Å

Retrieved 984 of 984 residues in 2249.9 ms (Link to these results)

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