A0A087YLT5_POEFO Loading...

Ubiquitin-protein ligase E3A

E3 ubiquitin-protein ligase which accepts ubiquitin from an E2 ubiquitin-conjugating enzyme in the form of a thioester and transfers it to its substrates.

AlphaFold DB , UniProt , Accession A0A087YLT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 895 aa.

						>A0A087YLT5_POEFO|A0A087YLT5
MNSDEKEDCECATPQAETSPARGAVREQEEPDIENPEASRMKRAAAKHLIERYYHQLTEGCGNESCSNSWCASSVGFSRMDNNAAAVKALELYKVNAKLCDPHPSKKGTASTYLESSAHSNSACSNRKLNHKDVHAVRDNFKDINYLTEEKVYEILDICGEKEDYSPLIRVIGRVFSSAEGLVQSFRRSKPHTKEELKSLQEKDEDKDEDEKEAAACSATAMEEDSPTSSSSRLGECSSGENDVQKLAPDEVSVDIEAVRRVYERLLSNEKIEAAFLNALVYLSPNVECDLTYHNVYSRDPNYLNLFVIVMENNNLHSPEYLEIALPQFCKAMSKLPLAAQAKLTRLWSHYSAEQIRRMMETFQQLITFKVISNEFSSRNLVNDDDAVVAATKCLKIVYYANVIGGDLDTENNEDEDEEPIPESSELTLQELLGEERRNKKGPRVDPLETELGVRTNDCRRPLIPFEEFVNEPLNEVLEMDKDYTFFKVETENKFSFMTCPFVLNAVTKNLGLYYDNRIRMYSERRITVLYSLVQGQQLNPYLRLKVRRDHIIDDALVRLEMIAMENPADLKKQLYVEFEGEQGVDEGGVSKEFFQLVVEEIFNPDIGMFTYDEHTRLFWFNSSSFENEGQYTLIGIVLGLAIYNNCILDVHFPMVVYRKLMGKKGTFRDLADANPVLYQSLKELVEYEGNVEEDMMITFQISQTDPFGNRLMYDLRENGDKIPVTNENRKDFVALYSEYILNKSVEKQFKAFRRGFHMVTNESPLKYLFRPEEIELLICGSRNLDFQALEETTEYDGGYNKDSRIIKEFWETLHSFSEEQKRLFLQFTTGTDRAPVGGLGKLKMIIAKNGPDTDRLPTSHTCFNVLLLPEYSNKDKLRERLLKAITYAKGFGML
					

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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	30.7	Very low	28.4	Very low	237 Å²	237	147.5 Å²	147.5	100%	1.167	78%	0.783	S	S	*	*				0	130	0	-89.8	165.7	139.7	0	0	106.8
2	N	27.6	Very low	28	Very low	147 Å²	147	143.6 Å²	143.6	79%	0.786	79%	0.787	S	S	*	*			trans	32.6	110.9	157	-59.8	26.9	0	0	0	117.5
3	S	26.1	Very low	28.1	Very low	93 Å²	93	142.6 Å²	142.6	65%	0.65	79%	0.788	S	S	*	*				83	157.3	61.1	77.1	0	0	0	0	113.8
4	D	30.5	Very low	28.5	Very low	131 Å²	131	141.8 Å²	141.8	70%	0.701	79%	0.792	S	S	*	*			trans	107.4	97.1	166.3	-50.6	1.2	0	0	0	112.4
5	E	32.2	Very low	28.3	Very low	152 Å²	152	144.8 Å²	144.8	71%	0.71	80%	0.798	S	S	*	*				83.6	144.3	72.9	-79.8	-158.1	151.3	0	0	112.4
6	K	30.1	Very low	28.2	Very low	143 Å²	143	141.6 Å²	141.6	62%	0.622	80%	0.796	S	S	*	*			cis	-170.9	142.2	-12.2	-120.4	179.9	-176.3	159.5	0	109
7	E	30.5	Very low	27.9	Very low	147 Å²	147	144.6 Å²	144.6	69%	0.687	80%	0.803	S	S	*	*				80	162.1	102.4	-91.5	175.5	171	0	0	118.5
8	D	28.2	Very low	27.8	Very low	146 Å²	146	143.1 Å²	143.1	78%	0.781	80%	0.798	S	S	*	*			trans	81.6	136.5	163.4	-61.3	-22.5	0	0	0	119.7
9	C	25.5	Very low	27.6	Very low	118 Å²	118	141.3 Å²	141.3	80%	0.797	80%	0.796	S	S	*	*			cis	-156	151.1	3.6	-153.2	0	0	0	0	113.3
10	E	25.1	Very low	28	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	80%	0.796	S	S	*	*			trans	-86.4	157	159	-70.3	-172.5	122.9	0	0	111.7
11	C	25.5	Very low	27.9	Very low	128 Å²	128	138.7 Å²	138.7	87%	0.865	80%	0.799	S	S	*	*			trans	-164.4	109.6	147	-132.7	0	0	0	0	115.9
12	A	24.5	Very low	27.7	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	79%	0.791	S	S	*	*			trans	55.1	148.2	136.9	0	0	0	0	0	125
13	T	29.1	Very low	27.7	Very low	131 Å²	131	136.4 Å²	136.4	80%	0.804	79%	0.791	S	S	*	*			trans	-91.9	176.8	177.3	51.5	0	0	0	0	113.8
14	P	33.7	Very low	27.7	Very low	131 Å²	131	136.7 Å²	136.7	85%	0.851	80%	0.798	S	S	*	*				-149.8	-174.1	107.3	38.4	-20.2	0	0	0	116.4
15	Q	24.9	Very low	27.7	Very low	187 Å²	187	137.1 Å²	137.1	87%	0.874	81%	0.805	S	S	*	*			trans	-103.2	159.4	-169.5	-63.6	176	-32.6	0	0	115.9
16	A	27	Very low	27.5	Very low	94 Å²	94	140.9 Å²	140.9	78%	0.777	81%	0.813	S	S	*	*			trans	58.6	127.2	143.9	0	0	0	0	0	123
17	E	23.4	Very low	27.3	Very low	193 Å²	193	142.7 Å²	142.7	90%	0.902	82%	0.824	S	S	*	*				-175.6	172.2	121	-104.2	-177.6	-173.5	0	0	114.6
18	T	25.4	Very low	27.1	Very low	116 Å²	116	144.6 Å²	144.6	71%	0.712	83%	0.833	S	S	*	*			trans	-87.3	136.9	-147.5	48.6	0	0	0	0	121.6
19	S	23.6	Very low	27.1	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	84%	0.839	S	S	*	*			trans	61.5	174.7	132.5	81.9	0	0	0	0	121.5
20	P	36.2	Very low	27.3	Very low	121 Å²	121	149.8 Å²	149.8	79%	0.786	84%	0.841	S	S	*	*			cis	-129.9	158.1	-28.3	36.8	-21.7	0	0	0	114.7
21	A	26.7	Very low	27.7	Very low	106 Å²	106	146.8 Å²	146.8	88%	0.876	84%	0.837	S	S	*	*			trans	-154.5	147.2	161.9	0	0	0	0	0	114.6
22	R	26.6	Very low	27.9	Very low	261 Å²	261	148.4 Å²	148.4	99%	0.985	84%	0.837	S	S	*	*			trans	-81.1	144.1	179	-66.1	166.7	166.4	165.6	-7	112
23	G	26.3	Very low	28.7	Very low	76 Å²	76	151.6 Å²	151.6	78%	0.784	84%	0.838	S	S	*	*			trans	-165.6	123.9	167.9	0	0	0	0	0	112.2
24	A	26.7	Very low	29.3	Very low	98 Å²	98	151 Å²	151	81%	0.81	83%	0.826	S	S	*	*			trans	-57.9	147.8	-173	0	0	0	0	0	115.1	R26	A24-R26 PolarHBondContact O-N 3.5Å
25	V	31.3	Very low	29.8	Very low	140 Å²	140	149.1 Å²	149.1	85%	0.848	81%	0.809	S	S	*	*			trans	-57.4	126.9	160.6	177.4	0	0	0	0	108.5
26	R	26.5	Very low	30.9	Very low	231 Å²	231	145 Å²	145	87%	0.872	80%	0.798	S	S	*	*			trans	-143.9	107.5	167.1	-158.5	175.6	-168.6	-178.8	1.7	107.4	A24 Q28	A24-R26 PolarHBondContact O-N 3.5Å; R26-Q28 PolarHBondContact O-N 3.07Å
27	E	26.4	Very low	31.7	Very low	182 Å²	182	146.9 Å²	146.9	85%	0.85	79%	0.791	S	S	*	*			trans	-56.4	131.6	171	-67.5	160.6	149.9	0	0	108.2
28	Q	27.4	Very low	32.7	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	76%	0.763	S	S	*	*			trans	-105.7	117.7	166.7	-75.2	-171.2	-38.6	0	0	106.8	R26 E30	R26-Q28 PolarHBondContact O-N 3.07Å; Q28-E30 PolarHBondContact O-N 3.23Å
29	E	27.5	Very low	34	Very low	195 Å²	195	134.7 Å²	134.7	91%	0.911	74%	0.735	S	S	*	*			trans	-62.2	129.5	176.5	-64.9	161.9	137.6	0	0	109.6
30	E	30.4	Very low	35.5	Very low	179 Å²	179	139.1 Å²	139.1	84%	0.836	73%	0.734	S	S	*	*			trans	-67.2	151.3	164.8	-68.7	-174.7	138	0	0	109.6	Q28 D32	Q28-E30 PolarHBondContact O-N 3.23Å; E30-D32 PolarHBondContact O-N 3.3Å; E30-D32 VanDerWaalsContact O-N 3.14Å
31	P	32.4	Very low	36.2	Very low	118 Å²	118	140 Å²	140	77%	0.766	73%	0.73	S	S	*	*			trans	-71.1	111.3	179.8	28.6	-33.5	0	0	0	110.9	I33	P31-I33 PolarHBondContact O-N 3.15Å; P31-I33 VanDerWaalsContact O-N 3.14Å
32	D	30.6	Very low	37.9	Very low	162 Å²	162	141.5 Å²	141.5	87%	0.866	72%	0.717	S	S	*	*			trans	-51.2	117.4	172.8	-105	-27.6	0	0	0	111.1	E30 E34	E30-D32 PolarHBondContact O-N 3.3Å; E30-D32 VanDerWaalsContact O-N 3.14Å; D32-E34 PolarHBondContact O-N 2.82Å
33	I	41.2	Very low	39.9	Very low	166 Å²	166	137.5 Å²	137.5	85%	0.851	70%	0.701	S	S	*	*			trans	-74.7	92.7	172.3	-60.5	175.3	0	0	0	107.3	P31 N35	P31-I33 PolarHBondContact O-N 3.15Å; P31-I33 VanDerWaalsContact O-N 3.14Å; I33-N35 PolarHBondContact O-N 3.44Å; I33-N35 VanDerWaalsContact O-N 3.08Å
34	E	41.7	Very low	41.8	Very low	119 Å²	119	136.7 Å²	136.7	56%	0.556	69%	0.688	S	S	*	*			trans	-54.2	117.2	177.2	-84	-147	141.2	0	0	110.8	D32 P36 S39	D32-E34 PolarHBondContact O-N 2.82Å; E34-P36 WeakPolarHBondContact O-CD 3.43Å; E34-P36 VanDerWaalsContact O-N 3.14Å; E34-S39 PolarHBondContact OE2-OG 3.33Å; E34-S39 VanDerWaalsContact OE2-OG 3.08Å
35	N	44	Very low	43.8	Very low	91 Å²	91	135 Å²	135	49%	0.487	67%	0.673	S	S	.	*			trans	-57.6	118	168.7	176.8	-12.6	0	0	0	109.3	I33 E37 A38 S39	I33-N35 PolarHBondContact O-N 3.44Å; I33-N35 VanDerWaalsContact O-N 3.08Å; N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 2.93Å; N35-E37 PolarHBondContact OD1-N 3.11Å; N35-A38 HydrophobicContact CB-CB 4.16Å; N35-A38 PolarHBondContact O-N 2.99Å; N35-A38 VanDerWaalsContact O-N 3.1Å; N35-S39 PolarHBondContact O-N 3.19Å; N35-S39 VanDerWaalsContact O-N 3.09Å
36	P	48.1	Very low	45.8	Very low	100 Å²	100	129.2 Å²	129.2	65%	0.649	64%	0.64	S	S	*	*	H	α-helix	trans	-63.6	-28.3	-174.4	24.1	-33.5	0	0	0	113.2	E34 S39 R40	E34-P36 WeakPolarHBondContact O-CD 3.43Å; E34-P36 VanDerWaalsContact O-N 3.14Å; P36-S39 PolarHBondContact O-N 2.96Å; P36-R40 WeakPolarHBondContact O-CB 3.44Å; P36-R40 PolarHBondContact O-N 2.58Å
37	E	42.9	Very low	48.3	Very low	134 Å²	134	124.4 Å²	124.4	63%	0.626	63%	0.626	S	S	*	*	H	α-helix	trans	-68	-42	174.5	-63.9	-165.8	119.8	0	0	111.8	N35 S39 R40 M41	N35-E37 VanDerWaalsContact C-N 3.25Å; N35-E37 PolarHBondContact O-N 2.93Å; N35-E37 PolarHBondContact OD1-N 3.11Å; E37-S39 PolarHBondContact O-N 3.44Å; E37-R40 PolarHBondContact O-N 3.34Å; E37-M41 WeakPolarHBondContact O-CG 3.45Å; E37-M41 PolarHBondContact O-N 2.92Å
38	A	43.7	Very low	50.8	Low	39 Å²	39	120.5 Å²	120.5	32%	0.322	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-39.6	176.6	0	0	0	0	0	111.5	N35 R40 K42	N35-A38 HydrophobicContact CB-CB 4.16Å; N35-A38 PolarHBondContact O-N 2.99Å; N35-A38 VanDerWaalsContact O-N 3.1Å; A38-R40 VanDerWaalsContact C-N 3.34Å; A38-K42 WeakPolarHBondContact O-CB 3.06Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.47Å; A38-K42 PolarHBondContact O-N 3.29Å
39	S	54.7	Low	53.3	Low	15 Å²	15	114.5 Å²	114.5	11%	0.105	58%	0.581	C	S	.	*	H	α-helix	trans	-63.6	-38.7	173.3	-158.8	0	0	0	0	111.3	E34 N35 P36 E37 R43	E34-S39 PolarHBondContact OE2-OG 3.33Å; E34-S39 VanDerWaalsContact OE2-OG 3.08Å; N35-S39 PolarHBondContact O-N 3.19Å; N35-S39 VanDerWaalsContact O-N 3.09Å; P36-S39 PolarHBondContact O-N 2.96Å; E37-S39 PolarHBondContact O-N 3.44Å; S39-R43 WeakPolarHBondContact O-CG 3.45Å; S39-R43 PolarHBondContact O-N 3.11Å; S39-R43 VanDerWaalsContact O-N 3.15Å; S39-R43 PolarHBondContact OG-NH2 3.23Å; S39-R43 VanDerWaalsContact OG-NH2 3.1Å
40	R	53.1	Low	56	Low	202 Å²	202	107.1 Å²	107.1	76%	0.762	55%	0.547	S	S	*	.	H	α-helix	trans	-68.2	-44.8	176.6	-167.7	177.2	-176.1	-175.3	1.4	112.6	P36 E37 A38 R43 A44	P36-R40 WeakPolarHBondContact O-CB 3.44Å; P36-R40 PolarHBondContact O-N 2.58Å; E37-R40 PolarHBondContact O-N 3.34Å; A38-R40 VanDerWaalsContact C-N 3.34Å; R40-R43 PolarHBondContact O-N 3.48Å; R40-A44 PolarHBondContact O-N 3.4Å
41	M	50.9	Low	58.5	Low	140 Å²	140	102.1 Å²	102.1	69%	0.69	52%	0.524	S	S	*	.	H	α-helix	trans	-62.4	-43.3	175.5	-72.6	-170.4	-178.3	0	0	112	E37 R43 A44 A45	E37-M41 WeakPolarHBondContact O-CG 3.45Å; E37-M41 PolarHBondContact O-N 2.92Å; M41-R43 VanDerWaalsContact C-N 3.34Å; M41-R43 PolarHBondContact O-N 3.46Å; M41-A44 PolarHBondContact O-N 2.82Å; M41-A45 WeakPolarHBondContact O-CB 3.39Å; M41-A45 PolarHBondContact O-N 3.01Å
42	K	64	Low	60.8	Low	138 Å²	138	102.6 Å²	102.6	60%	0.6	51%	0.51	S	S	*	.	H	α-helix	trans	-58.7	-42.5	175.2	-73.9	170.9	-175.7	175.6	0	112	A38 A46	A38-K42 WeakPolarHBondContact O-CB 3.06Å; A38-K42 VanDerWaalsContact O-CG 3.25Å; A38-K42 WeakPolarHBondContact O-CG 3.47Å; A38-K42 PolarHBondContact O-N 3.29Å; K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 2.66Å
43	R	67.9	Low	63.3	Low	176 Å²	176	95.1 Å²	95.1	66%	0.664	47%	0.47	S	S	*	.	H	α-helix	trans	-66.8	-40.2	176.4	-70.1	178	-141.8	-175	6.1	112.9	S39 R40 M41 A46 K47	S39-R43 WeakPolarHBondContact O-CG 3.45Å; S39-R43 PolarHBondContact O-N 3.11Å; S39-R43 VanDerWaalsContact O-N 3.15Å; S39-R43 PolarHBondContact OG-NH2 3.23Å; S39-R43 VanDerWaalsContact OG-NH2 3.1Å; R40-R43 PolarHBondContact O-N 3.48Å; M41-R43 VanDerWaalsContact C-N 3.34Å; M41-R43 PolarHBondContact O-N 3.46Å; R43-A46 PolarHBondContact O-N 2.94Å; R43-K47 PolarHBondContact O-N 3.14Å
44	A	65.8	Low	65.4	Low	60 Å²	60	90.3 Å²	90.3	50%	0.496	44%	0.442	S	S	.	.	H	α-helix	trans	-63.8	-44.8	176.5	0	0	0	0	0	111.8	R40 M41 A46 K47 H48	R40-A44 PolarHBondContact O-N 3.4Å; M41-A44 PolarHBondContact O-N 2.82Å; A44-A46 PolarHBondContact O-N 2.93Å; A44-K47 PolarHBondContact O-N 3.45Å; A44-H48 PolarHBondContact O-N 3.18Å; A44-H48 VanDerWaalsContact O-N 3.12Å
45	A	69.9	Low	67.4	Low	61 Å²	61	88.9 Å²	88.9	50%	0.504	43%	0.434	S	S	.	.	H	α-helix	trans	-62.4	-41.7	175.4	0	0	0	0	0	112.3	M41 L49	M41-A45 WeakPolarHBondContact O-CB 3.39Å; M41-A45 PolarHBondContact O-N 3.01Å; A45-L49 PolarHBondContact O-N 3.15Å; A45-L49 VanDerWaalsContact O-N 3.09Å
46	A	73.6	Confident	69.3	Low	19 Å²	19	85.1 Å²	85.1	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-60.8	-46.3	174.9	0	0	0	0	0	112.2	K42 R43 A44 H48 L49 I50 Y93	K42-A46 WeakPolarHBondContact O-CB 3.33Å; K42-A46 PolarHBondContact O-N 2.66Å; R43-A46 PolarHBondContact O-N 2.94Å; A44-A46 PolarHBondContact O-N 2.93Å; A46-H48 PolarHBondContact O-N 3.32Å; A46-L49 PolarHBondContact O-N 3.29Å; A46-I50 WeakPolarHBondContact O-CD1 3.46Å; A46-I50 WeakPolarHBondContact O-CG1 3.31Å; A46-I50 PolarHBondContact O-N 3.36Å; A46-Y93 HydrophobicContact CB-CE2 4.33Å; A46-Y93 VanDerWaalsContact CB-OH 3.26Å; A46-Y93 WeakPolarHBondContact CB-OH 3.45Å
47	K	78.9	Confident	70.9	Confident	131 Å²	131	80.5 Å²	80.5	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-56.8	-50.5	178	-168.7	-170.7	-176.8	-113.1	0	111.5	R43 A44 L49 I50 E51	R43-K47 PolarHBondContact O-N 3.14Å; A44-K47 PolarHBondContact O-N 3.45Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 2.82Å; K47-I50 PolarHBondContact O-N 3.36Å; K47-I50 VanDerWaalsContact O-N 3.17Å; K47-E51 WeakPolarHBondContact CE-OE1 3.46Å; K47-E51 IonicContact NZ-OE1 3.92Å; K47-E51 PolarHBondContact NZ-OE1 3.23Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3Å
48	H	77.8	Confident	72.7	Confident	100 Å²	100	75.9 Å²	75.9	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-63.8	-31.3	179.5	-178.5	-93.9	0	0	0	112.9	A44 A46 R52	A44-H48 PolarHBondContact O-N 3.18Å; A44-H48 VanDerWaalsContact O-N 3.12Å; A46-H48 PolarHBondContact O-N 3.32Å; H48-R52 PolarHBondContact CE1-NE 3.4Å; H48-R52 PolarHBondContact O-N 3.18Å; H48-R52 VanDerWaalsContact O-N 3.16Å
49	L	80.4	Confident	74.4	Confident	60 Å²	60	80.5 Å²	80.5	31%	0.314	38%	0.38	S	S	.	.	H	α-helix	trans	-69.2	-42	173.5	-130.4	82.9	0	0	0	112.1	A45 A46 K47 R52 Y53 Y93 L99	A45-L49 PolarHBondContact O-N 3.15Å; A45-L49 VanDerWaalsContact O-N 3.09Å; A46-L49 PolarHBondContact O-N 3.29Å; K47-L49 VanDerWaalsContact C-N 3.28Å; K47-L49 PolarHBondContact O-N 2.82Å; L49-R52 PolarHBondContact O-N 3.31Å; L49-Y53 HydrophobicContact CD2-CE2 4.27Å; L49-Y53 HydrophobicContact CG-CE2 4.49Å; L49-Y53 WeakPolarHBondContact O-CD2 3.47Å; L49-Y53 PolarHBondContact O-N 3.12Å; L49-Y53 VanDerWaalsContact O-N 3.13Å; L49-Y93 HydrophobicContact CB-CD2 4.05Å; L49-Y93 HydrophobicContact CB-CE2 4.04Å; L49-Y93 HydrophobicContact CD2-CD2 3.94Å; L49-Y93 HydrophobicContact CD2-CE2 3.92Å; L49-L99 HydrophobicContact CG-CD1 4.31Å
50	I	83.1	Confident	75.6	Confident	39 Å²	39	80.7 Å²	80.7	20%	0.2	38%	0.384	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.6	-65.7	157.4	0	0	0	110.6	A46 K47 R52 Y53 Y54 A89 L90 Y93	A46-I50 WeakPolarHBondContact O-CD1 3.46Å; A46-I50 WeakPolarHBondContact O-CG1 3.31Å; A46-I50 PolarHBondContact O-N 3.36Å; K47-I50 PolarHBondContact O-N 3.36Å; K47-I50 VanDerWaalsContact O-N 3.17Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.92Å; I50-Y53 PolarHBondContact O-N 3.07Å; I50-Y54 PolarHBondContact O-N 3.25Å; I50-A89 HydrophobicContact CG2-CB 4.28Å; I50-L90 HydrophobicContact CD1-CD2 3.78Å; I50-L90 HydrophobicContact CG1-CD2 4.32Å; I50-L90 HydrophobicContact CG2-CD2 4.14Å; I50-L90 HydrophobicContact CG2-CG 4.32Å; I50-Y93 HydrophobicContact CD1-CD1 4.02Å; I50-Y93 HydrophobicContact CD1-CE1 4.34Å; I50-Y93 HydrophobicContact CD1-CG 4.15Å; I50-Y93 HydrophobicContact CG1-CD1 4Å; I50-Y93 HydrophobicContact CG1-CD2 3.9Å; I50-Y93 HydrophobicContact CG1-CG 3.61Å
51	E	82.8	Confident	76.6	Confident	74 Å²	74	72.3 Å²	72.3	35%	0.346	36%	0.356	S	S	.	.	H	α-helix	trans	-57.3	-41.5	173.2	-73.2	167.7	173.9	0	0	111.3	K47 Y54 H55	K47-E51 WeakPolarHBondContact CE-OE1 3.46Å; K47-E51 IonicContact NZ-OE1 3.92Å; K47-E51 PolarHBondContact NZ-OE1 3.23Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3Å; E51-Y54 WeakPolarHBondContact O-CB 3.47Å; E51-Y54 PolarHBondContact O-N 3.3Å; E51-H55 PolarHBondContact O-CD2 2.74Å; E51-H55 PolarHBondContact O-N 3.42Å
52	R	81.1	Confident	77.5	Confident	128 Å²	128	68.7 Å²	68.7	48%	0.483	36%	0.355	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.2	-79.4	-174.1	168.6	-161.5	-3.2	114	H48 L49 I50 Y54 Q56 L99	H48-R52 PolarHBondContact CE1-NE 3.4Å; H48-R52 PolarHBondContact O-N 3.18Å; H48-R52 VanDerWaalsContact O-N 3.16Å; L49-R52 PolarHBondContact O-N 3.31Å; I50-R52 VanDerWaalsContact C-N 3.29Å; I50-R52 PolarHBondContact O-N 2.92Å; R52-Y54 VanDerWaalsContact C-N 3.29Å; R52-Y54 PolarHBondContact O-N 3.22Å; R52-Q56 WeakPolarHBondContact O-CB 3.38Å; R52-Q56 PolarHBondContact O-N 3.03Å; R52-L99 HydrophobicContact CB-CD2 4.14Å
53	Y	83.6	Confident	77.9	Confident	6 Å²	6	65.2 Å²	65.2	2%	0.024	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-37.8	172.8	-72.5	-70.8	0	0	0	111.7	L49 I50 Q56 L57 L92 Y93 A97 L99	L49-Y53 HydrophobicContact CD2-CE2 4.27Å; L49-Y53 HydrophobicContact CG-CE2 4.49Å; L49-Y53 WeakPolarHBondContact O-CD2 3.47Å; L49-Y53 PolarHBondContact O-N 3.12Å; L49-Y53 VanDerWaalsContact O-N 3.13Å; I50-Y53 PolarHBondContact O-N 3.07Å; Y53-Q56 PolarHBondContact O-N 3.2Å; Y53-L57 WeakPolarHBondContact O-CG 3.45Å; Y53-L57 PolarHBondContact O-N 2.76Å; Y53-L57 VanDerWaalsContact O-N 3.11Å; Y53-L92 HydrophobicContact CD1-CB 3.79Å; Y53-L92 HydrophobicContact CD1-CD1 4.25Å; Y53-L92 HydrophobicContact CE1-CB 4.03Å; Y53-L92 HydrophobicContact CG-CB 4.15Å; Y53-Y93 HydrophobicContact CE2-CD2 4.28Å; Y53-A97 HydrophobicContact CE1-CB 4.07Å; Y53-A97 PolarHBondContact OH-N 3.12Å; Y53-A97 PolarHBondContact OH-O 3.44Å; Y53-L99 HydrophobicContact CD1-CD2 3.52Å; Y53-L99 HydrophobicContact CD1-CG 4.02Å; Y53-L99 HydrophobicContact CD2-CD2 4.41Å; Y53-L99 HydrophobicContact CE1-CD1 4.3Å; Y53-L99 HydrophobicContact CE1-CD2 3.64Å; Y53-L99 HydrophobicContact CE1-CG 3.57Å; Y53-L99 HydrophobicContact CE2-CD1 4.28Å; Y53-L99 HydrophobicContact CE2-CG 4.4Å; Y53-L99 HydrophobicContact CG-CD2 3.93Å
54	Y	85.3	Confident	77.7	Confident	65 Å²	65	65.4 Å²	65.4	26%	0.255	35%	0.351	S	S	.	.	H	α-helix	trans	-61.4	-52.6	177.3	-177.4	-100.3	0	0	0	111.5	I50 E51 R52 Q56 L57 T58 N82 A85 A86	I50-Y54 PolarHBondContact O-N 3.25Å; E51-Y54 WeakPolarHBondContact O-CB 3.47Å; E51-Y54 PolarHBondContact O-N 3.3Å; R52-Y54 VanDerWaalsContact C-N 3.29Å; R52-Y54 PolarHBondContact O-N 3.22Å; Y54-Q56 VanDerWaalsContact C-N 3.28Å; Y54-Q56 PolarHBondContact O-N 3.28Å; Y54-L57 PolarHBondContact O-N 3.36Å; Y54-T58 HydrophobicContact CD1-CG2 4.46Å; Y54-T58 HydrophobicContact CD2-CG2 4.44Å; Y54-T58 HydrophobicContact CE1-CG2 4.05Å; Y54-T58 HydrophobicContact CE2-CG2 4.04Å; Y54-T58 PolarHBondContact O-N 2.72Å; Y54-T58 PolarHBondContact O-OG1 2.94Å; Y54-N82 WeakPolarHBondContact CE2-O 3.3Å; Y54-N82 WeakPolarHBondContact OH-CB 3.38Å; Y54-A85 HydrophobicContact CD2-CB 4.07Å; Y54-A85 HydrophobicContact CE2-CB 3.84Å; Y54-A86 HydrophobicContact CD2-CB 4.15Å; Y54-A86 HydrophobicContact CE2-CB 4Å
55	H	83.4	Confident	77.8	Confident	88 Å²	88	67.1 Å²	67.1	41%	0.407	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-34.3	175.4	-70.8	-72.5	0	0	0	112.7	E51 L57 T58 E59 G60	E51-H55 PolarHBondContact O-CD2 2.74Å; E51-H55 PolarHBondContact O-N 3.42Å; H55-L57 VanDerWaalsContact C-N 3.3Å; H55-L57 PolarHBondContact O-N 3.49Å; H55-T58 WeakPolarHBondContact CA-OG1 3.48Å; H55-T58 PolarHBondContact O-N 3.2Å; H55-E59 IonicContact CE1-OE1 2.82Å; H55-E59 PolarHBondContact CE1-OE1 2.97Å; H55-E59 IonicContact CG-OE1 3.85Å; H55-E59 IonicContact ND1-OE1 3.86Å; H55-E59 PolarHBondContact ND1-OE1 3.02Å; H55-E59 IonicContact ND1-OE2 3.44Å; H55-E59 WeakPolarHBondContact O-CA 3.43Å; H55-E59 WeakPolarHBondContact O-CB 3.3Å; H55-E59 PolarHBondContact O-N 3.11Å; H55-G60 PolarHBondContact O-N 3.44Å
56	Q	83.9	Confident	78	Confident	12 Å²	12	65 Å²	65	6%	0.056	34%	0.34	C	S	.	.	H	α-helix	trans	-65.1	-32.1	175.1	-167.1	-175.6	-77.8	0	0	113.1	R52 Y53 Y54 G60 N68 W70 C71 A72	R52-Q56 WeakPolarHBondContact O-CB 3.38Å; R52-Q56 PolarHBondContact O-N 3.03Å; Y53-Q56 PolarHBondContact O-N 3.2Å; Y54-Q56 VanDerWaalsContact C-N 3.28Å; Y54-Q56 PolarHBondContact O-N 3.28Å; Q56-G60 WeakPolarHBondContact O-CA 3.18Å; Q56-N68 PolarHBondContact NE2-ND2 3.31Å; Q56-W70 PolarHBondContact NE2-O 3.13Å; Q56-C71 HydrophobicContact CG-CB 4Å; Q56-C71 WeakPolarHBondContact O-CA 3.42Å; Q56-A72 PolarHBondContact O-N 3.06Å
57	L	81.8	Confident	77.9	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-84	-26.6	178.4	-68.6	170.4	0	0	0	113.5	Y53 Y54 H55 W70 F77 M80 A85 K88 A89 L92	Y53-L57 WeakPolarHBondContact O-CG 3.45Å; Y53-L57 PolarHBondContact O-N 2.76Å; Y53-L57 VanDerWaalsContact O-N 3.11Å; Y54-L57 PolarHBondContact O-N 3.36Å; H55-L57 VanDerWaalsContact C-N 3.3Å; H55-L57 PolarHBondContact O-N 3.49Å; L57-W70 HydrophobicContact CD2-CB 4.35Å; L57-F77 HydrophobicContact CB-CZ 4.4Å; L57-F77 HydrophobicContact CD2-CE2 3.73Å; L57-F77 HydrophobicContact CD2-CZ 3.61Å; L57-F77 WeakPolarHBondContact O-CE1 3.38Å; L57-M80 HydrophobicContact CD2-SD 4.46Å; L57-A85 HydrophobicContact CB-CB 4.27Å; L57-K88 HydrophobicContact CD1-CB 3.87Å; L57-K88 HydrophobicContact CD1-CG 4.2Å; L57-A89 HydrophobicContact CD1-CB 4.35Å; L57-L92 HydrophobicContact CD1-CD1 3.98Å; L57-L92 HydrophobicContact CD2-CD1 4.14Å; L57-L92 HydrophobicContact CG-CD1 4.3Å
58	T	81.9	Confident	77.8	Confident	36 Å²	36	65.3 Å²	65.3	22%	0.221	36%	0.356	C	S	.	.	H	α-helix	trans	-99.1	-45.3	-176.9	54.4	0	0	0	0	113.4	Y54 H55 A85	Y54-T58 HydrophobicContact CD1-CG2 4.46Å; Y54-T58 HydrophobicContact CD2-CG2 4.44Å; Y54-T58 HydrophobicContact CE1-CG2 4.05Å; Y54-T58 HydrophobicContact CE2-CG2 4.04Å; Y54-T58 PolarHBondContact O-N 2.72Å; Y54-T58 PolarHBondContact O-OG1 2.94Å; H55-T58 WeakPolarHBondContact CA-OG1 3.48Å; H55-T58 PolarHBondContact O-N 3.2Å; T58-A85 HydrophobicContact CG2-CB 3.84Å
59	E	78.6	Confident	77.5	Confident	137 Å²	137	64.3 Å²	64.3	64%	0.64	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-38	-176.7	-66.6	166.2	-135.7	0	0	111.9	H55	H55-E59 IonicContact CE1-OE1 2.82Å; H55-E59 PolarHBondContact CE1-OE1 2.97Å; H55-E59 IonicContact CG-OE1 3.85Å; H55-E59 IonicContact ND1-OE1 3.86Å; H55-E59 PolarHBondContact ND1-OE1 3.02Å; H55-E59 IonicContact ND1-OE2 3.44Å; H55-E59 WeakPolarHBondContact O-CA 3.43Å; H55-E59 WeakPolarHBondContact O-CB 3.3Å; H55-E59 PolarHBondContact O-N 3.11Å
60	G	78.9	Confident	77.3	Confident	19 Å²	19	66.3 Å²	66.3	20%	0.196	36%	0.364	C	S	.	.			trans	83.3	177.8	-176.3	0	0	0	0	0	113.5	H55 Q56 S73	H55-G60 PolarHBondContact O-N 3.44Å; Q56-G60 WeakPolarHBondContact O-CA 3.18Å; G60-S73 WeakPolarHBondContact CA-OG 3.48Å
61	C	75.3	Confident	77.2	Confident	25 Å²	25	64.4 Å²	64.4	17%	0.169	35%	0.354	C	S	.	.			trans	-88	-0.9	-175	67.7	0	0	0	0	115	N63 C71 S73 C100	C61-N63 VanDerWaalsContact C-N 3.29Å; C61-N63 PolarHBondContact O-N 2.87Å; C61-C71 PolarHBondContact N-SG 3.32Å; C61-S73 PolarHBondContact N-OG 3.28Å; C61-S73 VanDerWaalsContact N-OG 3.12Å; C61-C100 HydrophobicContact CB-CB 3.56Å
62	G	69.1	Low	77	Confident	64 Å²	64	62 Å²	62	66%	0.66	35%	0.347	S	S	*	.	S	Bend	trans	78.3	1.5	178.3	0	0	0	0	0	115.7	S73	G62-S73 PolarHBondContact N-OG 2.85Å
63	N	72.8	Confident	76.8	Confident	65 Å²	65	57.3 Å²	57.3	35%	0.348	33%	0.333	S	S	.	.			trans	-94.4	116	174.6	-177.6	-8	0	0	0	110.8	C61 S65 C66 S73	C61-N63 VanDerWaalsContact C-N 3.29Å; C61-N63 PolarHBondContact O-N 2.87Å; N63-S65 PolarHBondContact O-N 3.44Å; N63-S65 VanDerWaalsContact O-N 3.14Å; N63-S65 PolarHBondContact OD1-N 3Å; N63-S65 PolarHBondContact OD1-OG 2.94Å; N63-C66 WeakPolarHBondContact O-CB 3.47Å; N63-C66 PolarHBondContact O-N 3.4Å; N63-C66 VanDerWaalsContact O-N 3.15Å; N63-S73 WeakPolarHBondContact O-CB 3.47Å
64	E	64.8	Low	76.5	Confident	181 Å²	181	57.7 Å²	57.7	85%	0.846	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-18.1	179.2	-59.2	-177.6	169.9	0	0	113.9
65	S	67.7	Low	75.6	Confident	95 Å²	95	61.4 Å²	61.4	66%	0.664	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.3	25	178.6	64.4	0	0	0	0	113.3	N63 S67	N63-S65 PolarHBondContact O-N 3.44Å; N63-S65 VanDerWaalsContact O-N 3.14Å; N63-S65 PolarHBondContact OD1-N 3Å; N63-S65 PolarHBondContact OD1-OG 2.94Å; S65-S67 PolarHBondContact O-N 3.03Å
66	C	72.8	Confident	74.6	Confident	16 Å²	16	60.9 Å²	60.9	11%	0.108	38%	0.384	C	S	.	.			trans	-60.9	122.4	-178.1	-170.1	0	0	0	0	112.7	N63 S74	N63-C66 WeakPolarHBondContact O-CB 3.47Å; N63-C66 PolarHBondContact O-N 3.4Å; N63-C66 VanDerWaalsContact O-N 3.15Å; C66-S74 WeakPolarHBondContact O-CB 3.39Å
67	S	71.6	Confident	74.2	Confident	129 Å²	129	61.8 Å²	61.8	90%	0.902	39%	0.388	S	S	*	.			trans	-85.8	-1.1	177.8	56.7	0	0	0	0	114.6	S65	S65-S67 PolarHBondContact O-N 3.03Å
68	N	76.4	Confident	73.8	Confident	28 Å²	28	66.3 Å²	66.3	15%	0.15	42%	0.42	C	S	.	.			trans	-85.2	118	-179.8	-167.5	-12.1	0	0	0	110.8	Q56 W70 C71 S74 K98 C100	Q56-N68 PolarHBondContact NE2-ND2 3.31Å; N68-W70 PolarHBondContact O-N 3.06Å; N68-W70 VanDerWaalsContact O-N 3.12Å; N68-W70 PolarHBondContact OD1-N 3.12Å; N68-C71 HydrophobicContact CB-CB 4.1Å; N68-C71 PolarHBondContact O-N 2.94Å; N68-S74 VanDerWaalsContact O-CB 3.28Å; N68-S74 WeakPolarHBondContact O-CB 3.36Å; N68-S74 PolarHBondContact O-OG 3.2Å; N68-K98 PolarHBondContact ND2-O 3.46Å; N68-C100 WeakPolarHBondContact CB-SG 3.34Å; N68-C100 PolarHBondContact ND2-SG 3.03Å
69	S	72.8	Confident	73.3	Confident	79 Å²	79	75.2 Å²	75.2	55%	0.552	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-13.3	-179.7	58.9	0	0	0	0	114.5	F77	S69-F77 WeakPolarHBondContact O-CD2 3.41Å
70	W	74.8	Confident	73.2	Confident	102 Å²	102	71.7 Å²	71.7	39%	0.386	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	36.8	179.2	-56.1	106.3	0	0	0	112	Q56 L57 N68 F77 L92	Q56-W70 PolarHBondContact NE2-O 3.13Å; L57-W70 HydrophobicContact CD2-CB 4.35Å; N68-W70 PolarHBondContact O-N 3.06Å; N68-W70 VanDerWaalsContact O-N 3.12Å; N68-W70 PolarHBondContact OD1-N 3.12Å; W70-F77 HydrophobicContact CE3-CE2 4.36Å; W70-L92 HydrophobicContact CB-CD1 4.15Å; W70-L92 HydrophobicContact CD2-CD2 4.44Å; W70-L92 HydrophobicContact CG-CD2 4.17Å
71	C	81.3	Confident	73.4	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	45%	0.45	C	S	.	.			trans	-127.7	131.4	176.8	-179.4	0	0	0	0	110.7	Q56 C61 N68 S73 S74 F77	Q56-C71 HydrophobicContact CG-CB 4Å; Q56-C71 WeakPolarHBondContact O-CA 3.42Å; C61-C71 PolarHBondContact N-SG 3.32Å; N68-C71 HydrophobicContact CB-CB 4.1Å; N68-C71 PolarHBondContact O-N 2.94Å; C71-S73 PolarHBondContact O-N 2.9Å; C71-S73 VanDerWaalsContact O-N 3.13Å; C71-S74 WeakPolarHBondContact O-CB 3.46Å; C71-S74 PolarHBondContact O-N 3.44Å; C71-S74 PolarHBondContact O-OG 2.97Å; C71-F77 WeakPolarHBondContact O-CB 3.47Å
72	A	79.6	Confident	73.6	Confident	24 Å²	24	78.3 Å²	78.3	20%	0.198	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.4	178.9	0	0	0	0	0	114.5	Q56 F77	Q56-A72 PolarHBondContact O-N 3.06Å; A72-F77 HydrophobicContact CB-CD1 4.11Å; A72-F77 HydrophobicContact CB-CE1 4.12Å
73	S	76.6	Confident	74	Confident	28 Å²	28	81.1 Å²	81.1	20%	0.196	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-1.3	172.6	-46.6	0	0	0	0	113.8	G60 C61 G62 N63 C71	G60-S73 WeakPolarHBondContact CA-OG 3.48Å; C61-S73 PolarHBondContact N-OG 3.28Å; C61-S73 VanDerWaalsContact N-OG 3.12Å; G62-S73 PolarHBondContact N-OG 2.85Å; N63-S73 WeakPolarHBondContact O-CB 3.47Å; C71-S73 PolarHBondContact O-N 2.9Å; C71-S73 VanDerWaalsContact O-N 3.13Å
74	S	76.9	Confident	74.4	Confident	15 Å²	15	80.3 Å²	80.3	11%	0.105	47%	0.465	C	S	.	.	S	Bend	trans	-88	141.4	177.7	72.3	0	0	0	0	112.1	C66 N68 C71 G76 F77	C66-S74 WeakPolarHBondContact O-CB 3.39Å; N68-S74 VanDerWaalsContact O-CB 3.28Å; N68-S74 WeakPolarHBondContact O-CB 3.36Å; N68-S74 PolarHBondContact O-OG 3.2Å; C71-S74 WeakPolarHBondContact O-CB 3.46Å; C71-S74 PolarHBondContact O-N 3.44Å; C71-S74 PolarHBondContact O-OG 2.97Å; S74-G76 PolarHBondContact O-N 2.79Å; S74-F77 PolarHBondContact O-N 3.29Å; S74-F77 WeakPolarHBondContact OG-CB 3.39Å
75	V	65.8	Low	75.3	Confident	143 Å²	143	71.7 Å²	71.7	87%	0.867	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-12.6	-170.7	-163.2	0	0	0	0	113.7
76	G	63.6	Low	75.9	Confident	76 Å²	76	69 Å²	69	78%	0.784	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	5.6	-179.9	0	0	0	0	0	115.7	S74	S74-G76 PolarHBondContact O-N 2.79Å
77	F	75.2	Confident	76.4	Confident	31 Å²	31	72.5 Å²	72.5	14%	0.136	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-87.8	123.6	-174.5	-174.4	-98.5	0	0	0	113.1	L57 S69 W70 C71 A72 S74 M80	L57-F77 HydrophobicContact CB-CZ 4.4Å; L57-F77 HydrophobicContact CD2-CE2 3.73Å; L57-F77 HydrophobicContact CD2-CZ 3.61Å; L57-F77 WeakPolarHBondContact O-CE1 3.38Å; S69-F77 WeakPolarHBondContact O-CD2 3.41Å; W70-F77 HydrophobicContact CE3-CE2 4.36Å; C71-F77 WeakPolarHBondContact O-CB 3.47Å; A72-F77 HydrophobicContact CB-CD1 4.11Å; A72-F77 HydrophobicContact CB-CE1 4.12Å; S74-F77 PolarHBondContact O-N 3.29Å; S74-F77 WeakPolarHBondContact OG-CB 3.39Å; F77-M80 HydrophobicContact CE1-CE 4.49Å; F77-M80 HydrophobicContact CE2-CE 3.87Å; F77-M80 HydrophobicContact CZ-CE 3.57Å; F77-M80 HydrophobicContact CZ-CG 4.42Å; F77-M80 HydrophobicContact CZ-SD 4.24Å
78	S	72.6	Confident	76.8	Confident	100 Å²	100	69.3 Å²	69.3	70%	0.699	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-79.5	119	170.9	-61.8	0	0	0	0	110.5	M80	S78-M80 PolarHBondContact O-N 3.2Å
79	R	71.3	Confident	77.2	Confident	223 Å²	223	68 Å²	68	84%	0.842	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-56.9	135.7	172.8	-74	-172.7	174.7	-167.8	-3.4	110.7
80	M	77.1	Confident	77.7	Confident	62 Å²	62	68.8 Å²	68.8	31%	0.305	39%	0.39	S	S	.	.			trans	-120	157.8	-178.6	55.6	-173.7	63.8	0	0	110.5	L57 F77 S78 A84 A85 K88	L57-M80 HydrophobicContact CD2-SD 4.46Å; F77-M80 HydrophobicContact CE1-CE 4.49Å; F77-M80 HydrophobicContact CE2-CE 3.87Å; F77-M80 HydrophobicContact CZ-CE 3.57Å; F77-M80 HydrophobicContact CZ-CG 4.42Å; F77-M80 HydrophobicContact CZ-SD 4.24Å; S78-M80 PolarHBondContact O-N 3.2Å; M80-A84 HydrophobicContact CB-CB 4.38Å; M80-A85 HydrophobicContact CG-CB 4.13Å; M80-A85 HydrophobicContact SD-CB 4.31Å; M80-K88 HydrophobicContact SD-CB 4.28Å
81	D	82.6	Confident	78.1	Confident	101 Å²	101	68.4 Å²	68.4	54%	0.54	39%	0.393	S	S	.	.			trans	-63	153.7	175.7	176	51	0	0	0	111.8	N83 A84 A85	D81-N83 VanDerWaalsContact C-N 3.3Å; D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 WeakPolarHBondContact OD2-CB 3.49Å; D81-N83 PolarHBondContact OD2-N 3.12Å; D81-N83 VanDerWaalsContact OD2-N 3.15Å; D81-N83 PolarHBondContact OD2-ND2 2.8Å; D81-A84 HydrophobicContact CB-CB 4.41Å; D81-A84 CarbonylContact O-C 3.58Å; D81-A84 WeakPolarHBondContact O-CB 3.43Å; D81-A84 PolarHBondContact O-N 3.1Å; D81-A84 VanDerWaalsContact O-N 3.07Å; D81-A85 PolarHBondContact O-N 3.2Å
82	N	79.4	Confident	78.2	Confident	83 Å²	83	69 Å²	69	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-56	-41.6	-179.6	-71.9	-20.2	0	0	0	112.2	Y54 A84 A85 A86	Y54-N82 WeakPolarHBondContact CE2-O 3.3Å; Y54-N82 WeakPolarHBondContact OH-CB 3.38Å; N82-A84 PolarHBondContact O-N 3.33Å; N82-A85 PolarHBondContact O-N 2.7Å; N82-A86 PolarHBondContact O-N 3.07Å
83	N	78.7	Confident	78.5	Confident	122 Å²	122	71.6 Å²	71.6	65%	0.652	40%	0.401	S	S	*	.	H	α-helix	trans	-69.2	-36.9	178.6	-61.6	-58.6	0	0	0	111.7	D81 A86 V87	D81-N83 VanDerWaalsContact C-N 3.3Å; D81-N83 PolarHBondContact O-N 3.04Å; D81-N83 WeakPolarHBondContact OD2-CB 3.49Å; D81-N83 PolarHBondContact OD2-N 3.12Å; D81-N83 VanDerWaalsContact OD2-N 3.15Å; D81-N83 PolarHBondContact OD2-ND2 2.8Å; N83-A86 PolarHBondContact O-N 3.48Å; N83-V87 WeakPolarHBondContact O-CG2 3.42Å; N83-V87 PolarHBondContact O-N 3.2Å
84	A	80.1	Confident	78.7	Confident	48 Å²	48	78.9 Å²	78.9	40%	0.397	43%	0.429	S	S	.	.	H	α-helix	trans	-67	-38.9	174.2	0	0	0	0	0	111.9	M80 D81 N82 V87 K88	M80-A84 HydrophobicContact CB-CB 4.38Å; D81-A84 HydrophobicContact CB-CB 4.41Å; D81-A84 CarbonylContact O-C 3.58Å; D81-A84 WeakPolarHBondContact O-CB 3.43Å; D81-A84 PolarHBondContact O-N 3.1Å; D81-A84 VanDerWaalsContact O-N 3.07Å; N82-A84 PolarHBondContact O-N 3.33Å; A84-V87 PolarHBondContact O-N 3.31Å; A84-K88 WeakPolarHBondContact O-CB 3.28Å; A84-K88 PolarHBondContact O-N 2.91Å
85	A	83.4	Confident	78.9	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	45%	0.454	C	S	.	.	H	α-helix	trans	-63.8	-39.2	174.9	0	0	0	0	0	112.1	Y54 L57 T58 M80 D81 N82 K88 A89	Y54-A85 HydrophobicContact CD2-CB 4.07Å; Y54-A85 HydrophobicContact CE2-CB 3.84Å; L57-A85 HydrophobicContact CB-CB 4.27Å; T58-A85 HydrophobicContact CG2-CB 3.84Å; M80-A85 HydrophobicContact CG-CB 4.13Å; M80-A85 HydrophobicContact SD-CB 4.31Å; D81-A85 PolarHBondContact O-N 3.2Å; N82-A85 PolarHBondContact O-N 2.7Å; A85-K88 PolarHBondContact O-N 3.18Å; A85-A89 VanDerWaalsContact O-CB 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.36Å; A85-A89 PolarHBondContact O-N 3.09Å
86	A	80.6	Confident	79.4	Confident	40 Å²	40	82.3 Å²	82.3	33%	0.331	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.3	0	0	0	0	0	112.4	Y54 N82 N83 K88 A89 L90	Y54-A86 HydrophobicContact CD2-CB 4.15Å; Y54-A86 HydrophobicContact CE2-CB 4Å; N82-A86 PolarHBondContact O-N 3.07Å; N83-A86 PolarHBondContact O-N 3.48Å; A86-K88 VanDerWaalsContact C-N 3.35Å; A86-A89 PolarHBondContact O-N 3.24Å; A86-L90 PolarHBondContact O-N 3.07Å
87	V	83.7	Confident	80	Confident	89 Å²	89	80 Å²	80	54%	0.539	42%	0.418	S	S	.	.	H	α-helix	trans	-62.9	-42.7	174	175.6	0	0	0	0	110.7	N83 A84 A89 L90 E91	N83-V87 WeakPolarHBondContact O-CG2 3.42Å; N83-V87 PolarHBondContact O-N 3.2Å; A84-V87 PolarHBondContact O-N 3.31Å; V87-A89 PolarHBondContact O-N 2.9Å; V87-L90 PolarHBondContact O-N 2.85Å; V87-E91 PolarHBondContact O-N 3.06Å; V87-E91 VanDerWaalsContact O-N 3.11Å
88	K	80.1	Confident	80	Confident	61 Å²	61	87.2 Å²	87.2	27%	0.265	45%	0.449	S	S	.	.	H	α-helix	trans	-68.1	-34.1	179.3	-157.2	75.3	-164.9	165.8	0	112.8	L57 M80 A84 A85 A86 L90 E91 L92	L57-K88 HydrophobicContact CD1-CB 3.87Å; L57-K88 HydrophobicContact CD1-CG 4.2Å; M80-K88 HydrophobicContact SD-CB 4.28Å; A84-K88 WeakPolarHBondContact O-CB 3.28Å; A84-K88 PolarHBondContact O-N 2.91Å; A85-K88 PolarHBondContact O-N 3.18Å; A86-K88 VanDerWaalsContact C-N 3.35Å; K88-L90 VanDerWaalsContact C-N 3.35Å; K88-E91 WeakPolarHBondContact CD-OE2 3.35Å; K88-E91 WeakPolarHBondContact CE-OE2 3.2Å; K88-E91 IonicContact NZ-OE2 2.92Å; K88-E91 PolarHBondContact NZ-OE2 3.1Å; K88-E91 PolarHBondContact O-N 3.25Å; K88-L92 WeakPolarHBondContact O-CB 3.45Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.45Å; K88-L92 PolarHBondContact O-N 3.03Å
89	A	84.9	Confident	80.3	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	43%	0.431	C	S	.	.	H	α-helix	trans	-62.9	-39.7	173.7	0	0	0	0	0	112.1	I50 L57 A85 A86 V87 L92 Y93	I50-A89 HydrophobicContact CG2-CB 4.28Å; L57-A89 HydrophobicContact CD1-CB 4.35Å; A85-A89 VanDerWaalsContact O-CB 3.31Å; A85-A89 WeakPolarHBondContact O-CB 3.36Å; A85-A89 PolarHBondContact O-N 3.09Å; A86-A89 PolarHBondContact O-N 3.24Å; V87-A89 PolarHBondContact O-N 2.9Å; A89-L92 PolarHBondContact O-N 2.91Å; A89-Y93 WeakPolarHBondContact O-CB 3.34Å; A89-Y93 PolarHBondContact O-N 2.73Å
90	L	83.9	Confident	80.6	Confident	97 Å²	97	76 Å²	76	51%	0.508	40%	0.4	S	S	.	.	H	α-helix	trans	-65.3	-39.8	173.2	-74.4	163.6	0	0	0	112.4	I50 A86 V87 K88 K94	I50-L90 HydrophobicContact CD1-CD2 3.78Å; I50-L90 HydrophobicContact CG1-CD2 4.32Å; I50-L90 HydrophobicContact CG2-CD2 4.14Å; I50-L90 HydrophobicContact CG2-CG 4.32Å; A86-L90 PolarHBondContact O-N 3.07Å; V87-L90 PolarHBondContact O-N 2.85Å; K88-L90 VanDerWaalsContact C-N 3.35Å; L90-K94 WeakPolarHBondContact O-CB 3.15Å; L90-K94 PolarHBondContact O-N 3.08Å
91	E	83.4	Confident	79.9	Confident	94 Å²	94	80.2 Å²	80.2	44%	0.439	42%	0.424	S	S	.	.	H	α-helix	trans	-64	-45.2	173.5	-70.7	-176.5	174.6	0	0	112.3	V87 K88 K94 V95	V87-E91 PolarHBondContact O-N 3.06Å; V87-E91 VanDerWaalsContact O-N 3.11Å; K88-E91 WeakPolarHBondContact CD-OE2 3.35Å; K88-E91 WeakPolarHBondContact CE-OE2 3.2Å; K88-E91 IonicContact NZ-OE2 2.92Å; K88-E91 PolarHBondContact NZ-OE2 3.1Å; K88-E91 PolarHBondContact O-N 3.25Å; E91-K94 PolarHBondContact O-N 3.21Å; E91-V95 PolarHBondContact O-N 2.9Å
92	L	82.5	Confident	78.5	Confident	11 Å²	11	79.9 Å²	79.9	6%	0.058	43%	0.427	C	S	.	.	H	α-helix	trans	-65.4	-37.2	179.1	-70.4	174.6	0	0	0	112.4	Y53 L57 W70 K88 A89 V95 N96 A97	Y53-L92 HydrophobicContact CD1-CB 3.79Å; Y53-L92 HydrophobicContact CD1-CD1 4.25Å; Y53-L92 HydrophobicContact CE1-CB 4.03Å; Y53-L92 HydrophobicContact CG-CB 4.15Å; L57-L92 HydrophobicContact CD1-CD1 3.98Å; L57-L92 HydrophobicContact CD2-CD1 4.14Å; L57-L92 HydrophobicContact CG-CD1 4.3Å; W70-L92 HydrophobicContact CB-CD1 4.15Å; W70-L92 HydrophobicContact CD2-CD2 4.44Å; W70-L92 HydrophobicContact CG-CD2 4.17Å; K88-L92 WeakPolarHBondContact O-CB 3.45Å; K88-L92 VanDerWaalsContact O-CG 3.3Å; K88-L92 WeakPolarHBondContact O-CG 3.45Å; K88-L92 PolarHBondContact O-N 3.03Å; A89-L92 PolarHBondContact O-N 2.91Å; L92-V95 PolarHBondContact O-N 3.02Å; L92-N96 PolarHBondContact O-N 3.46Å; L92-A97 HydrophobicContact CB-CB 4.13Å; L92-A97 HydrophobicContact CD2-CB 3.72Å; L92-A97 HydrophobicContact CG-CB 4.48Å; L92-A97 PolarHBondContact O-N 3.1Å; L92-A97 VanDerWaalsContact O-N 3.09Å
93	Y	85.4	Confident	76.7	Confident	79 Å²	79	82 Å²	82	31%	0.31	43%	0.434	S	S	.	.	H	α-helix	trans	-60.7	-47.7	169.9	175.5	-102.8	0	0	0	111.4	A46 L49 I50 Y53 A89 V95 N96	A46-Y93 HydrophobicContact CB-CE2 4.33Å; A46-Y93 VanDerWaalsContact CB-OH 3.26Å; A46-Y93 WeakPolarHBondContact CB-OH 3.45Å; L49-Y93 HydrophobicContact CB-CD2 4.05Å; L49-Y93 HydrophobicContact CB-CE2 4.04Å; L49-Y93 HydrophobicContact CD2-CD2 3.94Å; L49-Y93 HydrophobicContact CD2-CE2 3.92Å; I50-Y93 HydrophobicContact CD1-CD1 4.02Å; I50-Y93 HydrophobicContact CD1-CE1 4.34Å; I50-Y93 HydrophobicContact CD1-CG 4.15Å; I50-Y93 HydrophobicContact CG1-CD1 4Å; I50-Y93 HydrophobicContact CG1-CD2 3.9Å; I50-Y93 HydrophobicContact CG1-CG 3.61Å; Y53-Y93 HydrophobicContact CE2-CD2 4.28Å; A89-Y93 WeakPolarHBondContact O-CB 3.34Å; A89-Y93 PolarHBondContact O-N 2.73Å; Y93-V95 PolarHBondContact O-N 3.04Å; Y93-V95 VanDerWaalsContact O-N 3.17Å; Y93-N96 PolarHBondContact O-N 3.3Å; Y93-N96 PolarHBondContact O-OD1 3.3Å
94	K	81.6	Confident	74.9	Confident	182 Å²	182	81.9 Å²	81.9	79%	0.791	44%	0.44	S	S	*	.	H	α-helix	trans	-61.2	-26.1	-179.3	-171.5	174.7	-179.6	179	0	113.8	L90 E91	L90-K94 WeakPolarHBondContact O-CB 3.15Å; L90-K94 PolarHBondContact O-N 3.08Å; E91-K94 PolarHBondContact O-N 3.21Å
95	V	81.2	Confident	72.6	Confident	105 Å²	105	84 Å²	84	64%	0.636	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	5.9	177	-56	0	0	0	0	114.2	E91 L92 Y93 A97	E91-V95 PolarHBondContact O-N 2.9Å; L92-V95 PolarHBondContact O-N 3.02Å; Y93-V95 PolarHBondContact O-N 3.04Å; Y93-V95 VanDerWaalsContact O-N 3.17Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 HydrophobicContact CG2-CB 4.26Å; V95-A97 PolarHBondContact O-N 2.86Å
96	N	77	Confident	70.3	Confident	125 Å²	125	93.9 Å²	93.9	67%	0.668	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	50.8	-175.7	-71.4	-41.9	0	0	0	113	L92 Y93	L92-N96 PolarHBondContact O-N 3.46Å; Y93-N96 PolarHBondContact O-N 3.3Å; Y93-N96 PolarHBondContact O-OD1 3.3Å
97	A	76	Confident	67.9	Low	26 Å²	26	101.9 Å²	101.9	22%	0.215	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-60.7	157.6	178.1	0	0	0	0	0	112.2	Y53 L92 V95 L99	Y53-A97 HydrophobicContact CE1-CB 4.07Å; Y53-A97 PolarHBondContact OH-N 3.12Å; Y53-A97 PolarHBondContact OH-O 3.44Å; L92-A97 HydrophobicContact CB-CB 4.13Å; L92-A97 HydrophobicContact CD2-CB 3.72Å; L92-A97 HydrophobicContact CG-CB 4.48Å; L92-A97 PolarHBondContact O-N 3.1Å; L92-A97 VanDerWaalsContact O-N 3.09Å; V95-A97 VanDerWaalsContact C-N 3.31Å; V95-A97 HydrophobicContact CG2-CB 4.26Å; V95-A97 PolarHBondContact O-N 2.86Å; A97-L99 PolarHBondContact O-N 2.99Å
98	K	74.1	Confident	65.2	Low	183 Å²	183	101.6 Å²	101.6	80%	0.796	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-71.1	119.1	176.3	-71.4	-173.6	176.4	-174.5	0	110.5	N68	N68-K98 PolarHBondContact ND2-O 3.46Å
99	L	79.9	Confident	62.7	Low	59 Å²	59	105.4 Å²	105.4	31%	0.309	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-73.5	151.7	164.5	-77.3	160.1	0	0	0	110.2	L49 R52 Y53 A97	L49-L99 HydrophobicContact CG-CD1 4.31Å; R52-L99 HydrophobicContact CB-CD2 4.14Å; Y53-L99 HydrophobicContact CD1-CD2 3.52Å; Y53-L99 HydrophobicContact CD1-CG 4.02Å; Y53-L99 HydrophobicContact CD2-CD2 4.41Å; Y53-L99 HydrophobicContact CE1-CD1 4.3Å; Y53-L99 HydrophobicContact CE1-CD2 3.64Å; Y53-L99 HydrophobicContact CE1-CG 3.57Å; Y53-L99 HydrophobicContact CE2-CD1 4.28Å; Y53-L99 HydrophobicContact CE2-CG 4.4Å; Y53-L99 HydrophobicContact CG-CD2 3.93Å; A97-L99 PolarHBondContact O-N 2.99Å
100	C	75.9	Confident	59.9	Low	30 Å²	30	110.2 Å²	110.2	20%	0.203	61%	0.606	C	S	.	*	P	Polyproline II helix	trans	-81.3	140	169.3	-68.7	0	0	0	0	111	C61 N68	C61-C100 HydrophobicContact CB-CB 3.56Å; N68-C100 WeakPolarHBondContact CB-SG 3.34Å; N68-C100 PolarHBondContact ND2-SG 3.03Å
101	D	63	Low	57.2	Low	150 Å²	150	110.7 Å²	110.7	80%	0.802	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-66.3	133.1	170.7	-63.9	-53.6	0	0	0	110.5	H103	D101-H103 PolarHBondContact O-N 2.98Å
102	P	54.2	Low	54.4	Low	94 Å²	94	112.2 Å²	112.2	61%	0.61	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-73.9	119.6	-177.6	28.2	-33.4	0	0	0	111.3
103	H	40.4	Very low	51.6	Low	127 Å²	127	122.3 Å²	122.3	59%	0.588	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-81.7	127.4	174	-160.5	-42.2	0	0	0	110.2	D101 S105	D101-H103 PolarHBondContact O-N 2.98Å; H103-S105 PolarHBondContact O-N 3.12Å
104	P	40.6	Very low	48.8	Very low	119 Å²	119	126.6 Å²	126.6	77%	0.773	70%	0.699	S	S	*	*			trans	-76.4	91.1	-180	29.2	-35.6	0	0	0	111.8
105	S	33.5	Very low	46	Very low	94 Å²	94	127.3 Å²	127.3	66%	0.657	71%	0.705	S	S	*	*			trans	-172.3	93.9	148.1	49.1	0	0	0	0	115.3	H103	H103-S105 PolarHBondContact O-N 3.12Å
106	K	34.1	Very low	43.1	Very low	207 Å²	207	128.3 Å²	128.3	90%	0.9	72%	0.717	S	S	*	*				176.7	135.2	117.5	-96.3	166.7	-177.2	173.8	0	110.5
107	K	29.5	Very low	40.5	Very low	208 Å²	208	127.9 Å²	127.9	90%	0.904	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-66.6	135.9	173.4	-69.1	-179.6	174.5	-177.1	0	109.3
108	G	28.8	Very low	38	Very low	82 Å²	82	130.2 Å²	130.2	85%	0.845	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-70.4	129.1	-176.9	0	0	0	0	0	113.3
109	T	25.9	Very low	35.6	Very low	141 Å²	141	130.2 Å²	130.2	87%	0.865	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-80.4	116.5	154.7	42.2	0	0	0	0	108.7	S111	T109-S111 PolarHBondContact O-N 3.03Å
110	A	27.4	Very low	32.9	Very low	102 Å²	102	133 Å²	133	84%	0.843	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-67	126.6	171.6	0	0	0	0	0	110.2
111	S	26.8	Very low	30.4	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-79.8	120.4	179.8	-169.2	0	0	0	0	110.7	T109	T109-S111 PolarHBondContact O-N 3.03Å
112	T	24.6	Very low	28.5	Very low	125 Å²	125	138.1 Å²	138.1	77%	0.767	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-68.6	132.8	161.5	35.1	0	0	0	0	109.5
113	Y	23.9	Very low	27	Very low	224 Å²	224	137.9 Å²	137.9	88%	0.878	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-81.9	130.4	162.6	-80.1	-95.4	0	0	0	108.5
114	L	25.4	Very low	26.1	Very low	168 Å²	168	137.3 Å²	137.3	88%	0.88	82%	0.82	S	S	*	*			trans	-141.5	125.5	163.6	-104.5	167.4	0	0	0	108.5
115	E	22.8	Very low	25.3	Very low	198 Å²	198	136.6 Å²	136.6	93%	0.925	82%	0.818	S	S	*	*			trans	-69.1	155.5	175.2	-66.9	179.3	122.1	0	0	111.2
116	S	21.9	Very low	25	Very low	125 Å²	125	139.7 Å²	139.7	87%	0.874	83%	0.827	S	S	*	*			trans	-114.2	125.7	-169.4	-169.1	0	0	0	0	112.8
117	S	22.1	Very low	24.5	Very low	116 Å²	116	141.4 Å²	141.4	81%	0.811	83%	0.827	S	S	*	*			trans	-166	156.7	153.1	61.1	0	0	0	0	109.3
118	A	22.8	Very low	24.4	Very low	75 Å²	75	141.1 Å²	141.1	62%	0.62	83%	0.826	S	S	*	*			cis	-164.9	148	-33.8	0	0	0	0	0	107.4
119	H	23.4	Very low	24.3	Very low	184 Å²	184	145 Å²	145	85%	0.852	83%	0.827	S	S	*	*			trans	53.8	123.4	167.1	-54	-61.8	0	0	0	118.4
120	S	23.9	Very low	24.4	Very low	117 Å²	117	146 Å²	146	82%	0.818	83%	0.827	S	S	*	*				174.3	167.3	68	45.1	0	0	0	0	111.5
121	N	22.5	Very low	24.5	Very low	167 Å²	167	150.3 Å²	150.3	89%	0.893	83%	0.829	S	S	*	*			trans	-80.2	147.3	-172	-59.9	-47.1	0	0	0	114.4
122	S	23.6	Very low	24.5	Very low	120 Å²	120	153.4 Å²	153.4	84%	0.839	83%	0.829	S	S	*	*				-161.3	141.9	129.3	-167.6	0	0	0	0	111.8
123	A	23.1	Very low	24.6	Very low	90 Å²	90	154.3 Å²	154.3	74%	0.744	83%	0.829	S	S	*	*			trans	-93.4	157.6	173.8	0	0	0	0	0	111
124	C	22	Very low	24.8	Very low	115 Å²	115	150.1 Å²	150.1	78%	0.777	83%	0.826	S	S	*	*				171.2	134.1	106	-141.2	0	0	0	0	113.9
125	S	23.7	Very low	24.9	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	83%	0.826	S	S	*	*			trans	48.1	113.8	140.7	-59.6	0	0	0	0	123.4
126	N	26.1	Very low	25.1	Very low	159 Å²	159	145.5 Å²	145.5	85%	0.85	81%	0.814	S	S	*	*				30.7	118.6	123.9	-97.9	-16.4	0	0	0	120
127	R	25.3	Very low	25.6	Very low	242 Å²	242	145.1 Å²	145.1	91%	0.913	81%	0.806	S	S	*	*				-161.7	122.7	127.1	-111	166.4	-173	-168.2	1.3	112.4
128	K	27.1	Very low	26.3	Very low	203 Å²	203	150 Å²	150	88%	0.883	81%	0.807	S	S	*	*			trans	-71.5	129.6	161.8	-79.5	-179.3	172.6	180	0	109.2
129	L	27	Very low	27.5	Very low	164 Å²	164	150 Å²	150	86%	0.859	80%	0.796	S	S	*	*			trans	-140.7	124.2	151.9	-81.4	175.1	0	0	0	108.2
130	N	27.1	Very low	28.8	Very low	160 Å²	160	145.5 Å²	145.5	86%	0.856	78%	0.778	S	S	*	*			trans	-75.2	135.3	165.4	-81.5	-4.9	0	0	0	108.2
131	H	29.9	Very low	30.5	Very low	193 Å²	193	142.3 Å²	142.3	89%	0.894	75%	0.75	S	S	*	*			trans	-142.5	140.6	147.3	-128.2	-85	0	0	0	110
132	K	27.3	Very low	32.2	Very low	172 Å²	172	140.6 Å²	140.6	75%	0.748	73%	0.734	S	S	*	*			trans	-78.2	166.8	174.3	-73.5	-176.9	166.4	-172.6	0	110.9
133	D	25.3	Very low	33.9	Very low	144 Å²	144	141.6 Å²	141.6	77%	0.77	73%	0.73	S	S	*	*			trans	73.4	96.8	158.1	-48.3	-40.6	0	0	0	116.4
134	V	27.6	Very low	36.1	Very low	136 Å²	136	138.6 Å²	138.6	82%	0.824	70%	0.701	S	S	*	*				179.3	107.8	102.7	159.8	0	0	0	0	106.5	A136	V134-A136 PolarHBondContact O-N 2.9Å; V134-A136 VanDerWaalsContact O-N 3.11Å
135	H	27.4	Very low	38.4	Very low	190 Å²	190	137.9 Å²	137.9	88%	0.88	69%	0.69	S	S	*	*			trans	-79.6	91.4	172.6	-109.5	-53	0	0	0	109.1	V137	H135-V137 PolarHBondContact O-N 2.87Å
136	A	27.4	Very low	40.9	Very low	80 Å²	80	137.3 Å²	137.3	66%	0.661	67%	0.672	S	S	*	*			trans	-66.4	112.8	157.6	0	0	0	0	0	107.7	V134 R138	V134-A136 PolarHBondContact O-N 2.9Å; V134-A136 VanDerWaalsContact O-N 3.11Å; A136-R138 PolarHBondContact O-N 3.14Å; A136-R138 VanDerWaalsContact O-N 3.12Å
137	V	32.9	Very low	43.4	Very low	116 Å²	116	129.9 Å²	129.9	70%	0.703	63%	0.633	S	S	*	*			trans	-65.4	112.8	172.1	-177	0	0	0	0	107.1	H135 D139	H135-V137 PolarHBondContact O-N 2.87Å; V137-D139 WeakPolarHBondContact CG1-OD1 3.32Å; V137-D139 PolarHBondContact O-N 2.94Å
138	R	37.5	Very low	46.1	Very low	220 Å²	220	120 Å²	120	83%	0.83	60%	0.599	S	S	*	*			trans	-83.4	101.9	165	-90.3	-178.9	161.1	175.5	-5.1	106.9	A136 N140	A136-R138 PolarHBondContact O-N 3.14Å; A136-R138 VanDerWaalsContact O-N 3.12Å; R138-N140 PolarHBondContact O-N 3.09Å; R138-N140 PolarHBondContact O-ND2 2.74Å
139	D	47.8	Very low	48.6	Very low	74 Å²	74	112.1 Å²	112.1	40%	0.396	57%	0.566	S	S	.	*			trans	-61.1	76	175.5	-49.5	-39.6	0	0	0	111	V137 F141 K162	V137-D139 WeakPolarHBondContact CG1-OD1 3.32Å; V137-D139 PolarHBondContact O-N 2.94Å; D139-F141 HydrophobicContact CB-CD2 4.49Å; D139-F141 HydrophobicContact CB-CE2 3.85Å; D139-F141 HydrophobicContact CB-CZ 4.13Å; D139-F141 PolarHBondContact O-N 3.25Å; D139-K162 IonicContact OD2-NZ 2.66Å; D139-K162 PolarHBondContact OD2-NZ 3.48Å
140	N	49.4	Very low	50.9	Low	90 Å²	90	111.2 Å²	111.2	48%	0.481	56%	0.557	S	S	.	*			trans	-87.6	90.7	173.7	-79.6	-73.1	0	0	0	108	R138 K142	R138-N140 PolarHBondContact O-N 3.09Å; R138-N140 PolarHBondContact O-ND2 2.74Å; N140-K142 HydrophobicContact CB-CB 4.46Å; N140-K142 HydrophobicContact CB-CD 4.39Å; N140-K142 HydrophobicContact CB-CG 4.15Å; N140-K142 PolarHBondContact O-N 2.96Å; N140-K142 WeakPolarHBondContact OD1-CE 3.48Å
141	F	61.5	Low	53.3	Low	49 Å²	49	106.3 Å²	106.3	22%	0.215	53%	0.528	C	S	.	.	G	3₁₀ helix	trans	-66.1	32.1	168	-56.9	-76.5	0	0	0	113.3	D139 D143 I144 I155 I158 P167 V171	D139-F141 HydrophobicContact CB-CD2 4.49Å; D139-F141 HydrophobicContact CB-CE2 3.85Å; D139-F141 HydrophobicContact CB-CZ 4.13Å; D139-F141 PolarHBondContact O-N 3.25Å; F141-D143 VanDerWaalsContact C-N 3.28Å; F141-D143 PolarHBondContact O-N 3.42Å; F141-I144 HydrophobicContact CB-CD1 4.16Å; F141-I144 HydrophobicContact CD1-CD1 3.87Å; F141-I144 HydrophobicContact CG-CD1 4.48Å; F141-I155 HydrophobicContact CD1-CD1 4.33Å; F141-I155 HydrophobicContact CD1-CG1 4.01Å; F141-I155 HydrophobicContact CE1-CG1 3.82Å; F141-I155 HydrophobicContact CZ-CG1 4.2Å; F141-I158 HydrophobicContact CZ-CD1 3.92Å; F141-I158 HydrophobicContact CZ-CG2 4.5Å; F141-P167 HydrophobicContact CD2-CB 4.14Å; F141-P167 HydrophobicContact CE2-CB 4.5Å; F141-V171 HydrophobicContact CB-CG2 3.85Å
142	K	57.2	Low	55.6	Low	132 Å²	132	97.2 Å²	97.2	57%	0.574	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-76.9	-11.8	-174.9	-74.7	-171.7	179.2	-175.4	0	113.7	N140 R174	N140-K142 HydrophobicContact CB-CB 4.46Å; N140-K142 HydrophobicContact CB-CD 4.39Å; N140-K142 HydrophobicContact CB-CG 4.15Å; N140-K142 PolarHBondContact O-N 2.96Å; N140-K142 WeakPolarHBondContact OD1-CE 3.48Å; K142-R174 PolarHBondContact O-NH1 3.36Å; K142-R174 PolarHBondContact O-NH2 3.15Å
143	D	59.3	Low	58.1	Low	141 Å²	141	92.6 Å²	92.6	75%	0.754	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-108.8	5.3	-174.8	-53.7	-37.6	0	0	0	112.8	F141 N145	F141-D143 VanDerWaalsContact C-N 3.28Å; F141-D143 PolarHBondContact O-N 3.42Å; D143-N145 PolarHBondContact O-N 2.89Å
144	I	68.4	Low	60.6	Low	26 Å²	26	91.2 Å²	91.2	13%	0.133	45%	0.453	C	S	.	.			trans	-79.8	118.7	173	-58.2	-176.4	0	0	0	109.3	F141 Y146 L147 I155 V171 R174	F141-I144 HydrophobicContact CB-CD1 4.16Å; F141-I144 HydrophobicContact CD1-CD1 3.87Å; F141-I144 HydrophobicContact CG-CD1 4.48Å; I144-Y146 VanDerWaalsContact CG2-O 3.3Å; I144-Y146 WeakPolarHBondContact CG2-O 3.43Å; I144-L147 HydrophobicContact CG2-CD2 4.45Å; I144-I155 HydrophobicContact CD1-CD1 3.82Å; I144-V171 HydrophobicContact CB-CG1 4.23Å; I144-V171 HydrophobicContact CG2-CG1 3.87Å; I144-R174 PolarHBondContact O-NH1 3.34Å
145	N	70.6	Confident	62.8	Low	101 Å²	101	84.8 Å²	84.8	54%	0.54	41%	0.414	S	S	.	.			trans	-116.7	-14	179.6	-64.2	-23.2	0	0	0	113.4	D143 G181	D143-N145 PolarHBondContact O-N 2.89Å; N145-G181 WeakPolarHBondContact O-CA 3.15Å
146	Y	77	Confident	65.2	Low	91 Å²	91	76.6 Å²	76.6	36%	0.357	38%	0.377	S	S	.	.	S	Bend	trans	-143.7	155	174.8	63.9	-93.9	0	0	0	109.4	I144 T148 K151 Q184	I144-Y146 VanDerWaalsContact CG2-O 3.3Å; I144-Y146 WeakPolarHBondContact CG2-O 3.43Å; Y146-T148 HydrophobicContact CD2-CG2 4.31Å; Y146-T148 HydrophobicContact CE2-CG2 4.13Å; Y146-K151 PolarHBondContact OH-NZ 3.32Å; Y146-Q184 HydrophobicContact CG-CB 4.39Å
147	L	78.3	Confident	67.5	Low	3 Å²	3	78 Å²	78	2%	0.016	37%	0.373	C	S	.	.			trans	-103.9	147.1	-178.3	-66.4	170.2	0	0	0	112.1	I144 V152 V171 V175 F176 S185 F186	I144-L147 HydrophobicContact CG2-CD2 4.45Å; L147-V152 HydrophobicContact CB-CG2 4.33Å; L147-V152 HydrophobicContact CD2-CG2 3.94Å; L147-V152 HydrophobicContact CG-CG2 4.5Å; L147-V171 HydrophobicContact CD2-CG1 3.92Å; L147-V175 HydrophobicContact CD1-CB 4.29Å; L147-V175 HydrophobicContact CD1-CG1 4.14Å; L147-V175 HydrophobicContact CG-CB 4.34Å; L147-V175 HydrophobicContact CG-CG1 4.09Å; L147-V175 HydrophobicContact CG-CG2 4.23Å; L147-F176 HydrophobicContact CD1-CD2 4.33Å; L147-F176 HydrophobicContact CD1-CE2 3.77Å; L147-S185 PolarHBondContact N-OG 2.62Å; L147-S185 CarbonylContact O-C 3.6Å; L147-S185 WeakPolarHBondContact O-CA 3.43Å; L147-F186 HydrophobicContact CB-CE1 4.36Å; L147-F186 HydrophobicContact CB-CE2 3.79Å; L147-F186 HydrophobicContact CB-CZ 3.68Å; L147-F186 HydrophobicContact CD1-CE2 4.35Å; L147-F186 HydrophobicContact CD1-CZ 4.39Å; L147-F186 PolarHBondContact O-N 3.02Å
148	T	81.1	Confident	69.4	Low	34 Å²	34	74.8 Å²	74.8	21%	0.209	35%	0.352	C	S	.	.			trans	-133.6	157.1	166.2	57	0	0	0	0	107.7	Y146 E150 K151 V152	Y146-T148 HydrophobicContact CD2-CG2 4.31Å; Y146-T148 HydrophobicContact CE2-CG2 4.13Å; T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 3.41Å; T148-K151 PolarHBondContact O-N 3.5Å; T148-K151 WeakPolarHBondContact OG1-CD 3.35Å; T148-K151 WeakPolarHBondContact OG1-CG 3.28Å; T148-V152 WeakPolarHBondContact O-CG2 3.49Å; T148-V152 PolarHBondContact O-N 2.83Å; T148-V152 VanDerWaalsContact O-N 3.09Å
149	E	79.4	Confident	70.9	Confident	39 Å²	39	64.4 Å²	64.4	18%	0.182	31%	0.313	C	S	.	.	H	α-helix	trans	-54.7	-49.5	-178.5	177.8	169.2	-162.5	0	0	112	K151 V152 Y153 A258 R261 V262	E149-K151 PolarHBondContact O-N 3.29Å; E149-V152 PolarHBondContact O-N 3.07Å; E149-Y153 HydrophobicContact CG-CD2 3.89Å; E149-Y153 HydrophobicContact CG-CE2 3.25Å; E149-Y153 PolarHBondContact O-N 3.14Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.36Å; E149-Y153 VanDerWaalsContact OE1-CZ 3.3Å; E149-Y153 PolarHBondContact OE1-OH 2.92Å; E149-A258 HydrophobicContact CB-CB 4.24Å; E149-A258 VanDerWaalsContact OE2-CB 3.3Å; E149-A258 WeakPolarHBondContact OE2-CB 3.11Å; E149-R261 IonicContact OE1-CZ 3.12Å; E149-R261 IonicContact OE1-NE 3.67Å; E149-R261 PolarHBondContact OE1-NE 3.41Å; E149-R261 IonicContact OE1-NH2 3.82Å; E149-R261 PolarHBondContact OE1-NH2 3.3Å; E149-R261 IonicContact OE2-CZ 2.74Å; E149-R261 IonicContact OE2-NE 3.61Å; E149-R261 IonicContact OE2-NH2 3.56Å; E149-R261 PolarHBondContact OE2-NH2 2.86Å; E149-V262 HydrophobicContact CB-CG2 4.25Å; E149-V262 HydrophobicContact CG-CG2 4.05Å
150	E	76.1	Confident	71.9	Confident	145 Å²	145	62.8 Å²	62.8	68%	0.678	31%	0.314	S	S	*	.	H	α-helix	trans	-50.2	-52.5	176	-60.8	165.5	164.6	0	0	112.3	T148 V152 Y153 E154	T148-E150 VanDerWaalsContact C-N 3.34Å; T148-E150 PolarHBondContact O-N 3.41Å; E150-V152 VanDerWaalsContact C-N 3.28Å; E150-V152 PolarHBondContact O-N 3.11Å; E150-Y153 PolarHBondContact O-N 3.31Å; E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 3.14Å
151	K	77.9	Confident	72.8	Confident	57 Å²	57	66.3 Å²	66.3	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-29.9	-179.6	-72	176.1	-175.9	169.7	0	112.8	Y146 T148 E149 I155	Y146-K151 PolarHBondContact OH-NZ 3.32Å; T148-K151 PolarHBondContact O-N 3.5Å; T148-K151 WeakPolarHBondContact OG1-CD 3.35Å; T148-K151 WeakPolarHBondContact OG1-CG 3.28Å; E149-K151 PolarHBondContact O-N 3.29Å; K151-I155 VanDerWaalsContact O-CD1 3.29Å; K151-I155 WeakPolarHBondContact O-CD1 3.47Å; K151-I155 WeakPolarHBondContact O-CG1 3.37Å; K151-I155 PolarHBondContact O-N 3.13Å
152	V	78.6	Confident	73	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.012	34%	0.341	C	S	.	.	H	α-helix	trans	-72.5	-40.7	176.2	175.5	0	0	0	0	110.4	L147 T148 E149 E150 I155 L156 F186 V262 L266	L147-V152 HydrophobicContact CB-CG2 4.33Å; L147-V152 HydrophobicContact CD2-CG2 3.94Å; L147-V152 HydrophobicContact CG-CG2 4.5Å; T148-V152 WeakPolarHBondContact O-CG2 3.49Å; T148-V152 PolarHBondContact O-N 2.83Å; T148-V152 VanDerWaalsContact O-N 3.09Å; E149-V152 PolarHBondContact O-N 3.07Å; E150-V152 VanDerWaalsContact C-N 3.28Å; E150-V152 PolarHBondContact O-N 3.11Å; V152-I155 PolarHBondContact O-N 3.43Å; V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 HydrophobicContact CG1-CG 4.47Å; V152-L156 WeakPolarHBondContact O-CB 3.44Å; V152-L156 WeakPolarHBondContact O-CG 3.12Å; V152-L156 PolarHBondContact O-N 3.35Å; V152-F186 HydrophobicContact CG2-CZ 4.28Å; V152-V262 HydrophobicContact CB-CG1 4.4Å; V152-V262 HydrophobicContact CB-CG2 4.29Å; V152-V262 HydrophobicContact CG1-CG1 3.88Å; V152-V262 HydrophobicContact CG1-CG2 4.32Å; V152-V262 HydrophobicContact CG2-CG1 4.31Å; V152-L266 HydrophobicContact CG1-CD1 4.13Å; V152-L266 HydrophobicContact CG1-CD2 4.13Å; V152-L266 HydrophobicContact CG1-CG 4.26Å
153	Y	79.4	Confident	73.5	Confident	74 Å²	74	71.6 Å²	71.6	29%	0.29	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-43.9	174.2	-62.4	-30.4	0	0	0	112.3	E149 E150 I155 L156 D157 R261 V262	E149-Y153 HydrophobicContact CG-CD2 3.89Å; E149-Y153 HydrophobicContact CG-CE2 3.25Å; E149-Y153 PolarHBondContact O-N 3.14Å; E149-Y153 WeakPolarHBondContact OE1-CE2 3.36Å; E149-Y153 VanDerWaalsContact OE1-CZ 3.3Å; E149-Y153 PolarHBondContact OE1-OH 2.92Å; E150-Y153 PolarHBondContact O-N 3.31Å; Y153-I155 VanDerWaalsContact C-N 3.3Å; Y153-I155 PolarHBondContact O-N 3.39Å; Y153-L156 HydrophobicContact CD1-CD1 4.26Å; Y153-L156 PolarHBondContact O-N 3.17Å; Y153-D157 PolarHBondContact O-N 3.12Å; Y153-R261 WeakPolarHBondContact OH-CB 3.44Å; Y153-V262 HydrophobicContact CE1-CG2 4.43Å
154	E	76.8	Confident	74.2	Confident	115 Å²	115	68.6 Å²	68.6	54%	0.537	34%	0.337	S	S	.	.	H	α-helix	trans	-52.8	-46.5	172.9	-74.2	175.9	173.2	0	0	112.1	E150 I158	E150-E154 WeakPolarHBondContact O-CG 3.49Å; E150-E154 PolarHBondContact O-N 3.14Å; E154-I158 WeakPolarHBondContact O-CB 3.46Å; E154-I158 WeakPolarHBondContact O-CD1 3.41Å; E154-I158 WeakPolarHBondContact O-CG1 3.36Å; E154-I158 PolarHBondContact O-N 2.62Å
155	I	75.1	Confident	74.6	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-69.6	-38.3	178.4	-63.4	164	0	0	0	110.9	F141 I144 K151 V152 Y153 C159 L168 V171	F141-I155 HydrophobicContact CD1-CD1 4.33Å; F141-I155 HydrophobicContact CD1-CG1 4.01Å; F141-I155 HydrophobicContact CE1-CG1 3.82Å; F141-I155 HydrophobicContact CZ-CG1 4.2Å; I144-I155 HydrophobicContact CD1-CD1 3.82Å; K151-I155 VanDerWaalsContact O-CD1 3.29Å; K151-I155 WeakPolarHBondContact O-CD1 3.47Å; K151-I155 WeakPolarHBondContact O-CG1 3.37Å; K151-I155 PolarHBondContact O-N 3.13Å; V152-I155 PolarHBondContact O-N 3.43Å; Y153-I155 VanDerWaalsContact C-N 3.3Å; Y153-I155 PolarHBondContact O-N 3.39Å; I155-C159 WeakPolarHBondContact O-CB 3.32Å; I155-C159 PolarHBondContact O-N 2.86Å; I155-C159 PolarHBondContact O-SG 3.25Å; I155-L168 HydrophobicContact CB-CD1 4.36Å; I155-L168 HydrophobicContact CG2-CB 3.8Å; I155-L168 HydrophobicContact CG2-CD1 3.72Å; I155-L168 HydrophobicContact CG2-CG 4.25Å; I155-V171 HydrophobicContact CD1-CG1 4.41Å
156	L	77	Confident	74.9	Confident	19 Å²	19	68.2 Å²	68.2	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-42.9	178.5	-87	167.8	0	0	0	112.6	V152 Y153 C159 G160 Y165 L168 R265 L266	V152-L156 HydrophobicContact CG1-CD1 3.91Å; V152-L156 HydrophobicContact CG1-CG 4.47Å; V152-L156 WeakPolarHBondContact O-CB 3.44Å; V152-L156 WeakPolarHBondContact O-CG 3.12Å; V152-L156 PolarHBondContact O-N 3.35Å; Y153-L156 HydrophobicContact CD1-CD1 4.26Å; Y153-L156 PolarHBondContact O-N 3.17Å; L156-C159 PolarHBondContact O-N 3.19Å; L156-G160 PolarHBondContact O-N 2.7Å; L156-Y165 HydrophobicContact CD2-CE1 4.48Å; L156-L168 HydrophobicContact CD2-CD2 3.56Å; L156-L168 HydrophobicContact CG-CD2 3.99Å; L156-R265 HydrophobicContact CD1-CB 4.33Å; L156-R265 HydrophobicContact CD1-CG 3.8Å; L156-L266 HydrophobicContact CD1-CD2 3.97Å; L156-L266 HydrophobicContact CD2-CD2 4.08Å; L156-L266 HydrophobicContact CG-CD2 4.19Å
157	D	75.7	Confident	74.8	Confident	109 Å²	109	65.8 Å²	65.8	58%	0.583	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-46.5	177.5	-69.7	-21.2	0	0	0	110.2	Y153 C159 G160 E161	Y153-D157 PolarHBondContact O-N 3.12Å; D157-C159 VanDerWaalsContact C-N 3.29Å; D157-C159 PolarHBondContact O-N 3.3Å; D157-G160 PolarHBondContact O-N 3.19Å; D157-G160 VanDerWaalsContact O-N 3.1Å; D157-E161 PolarHBondContact O-N 3.04Å
158	I	72.4	Confident	74.8	Confident	48 Å²	48	65.7 Å²	65.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-32.7	176.1	-66.1	167.8	0	0	0	112.3	F141 E154 K162	F141-I158 HydrophobicContact CZ-CD1 3.92Å; F141-I158 HydrophobicContact CZ-CG2 4.5Å; E154-I158 WeakPolarHBondContact O-CB 3.46Å; E154-I158 WeakPolarHBondContact O-CD1 3.41Å; E154-I158 WeakPolarHBondContact O-CG1 3.36Å; E154-I158 PolarHBondContact O-N 2.62Å; I158-K162 HydrophobicContact CG2-CD 4.15Å; I158-K162 VanDerWaalsContact CG2-NZ 3.32Å; I158-K162 WeakPolarHBondContact O-CD 3.38Å; I158-K162 WeakPolarHBondContact O-CG 3.33Å
159	C	70.6	Confident	74.7	Confident	2 Å²	2	66.3 Å²	66.3	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-75.4	-34.8	173.4	-67.8	0	0	0	0	111.9	I155 L156 D157 K162 E163 Y165	I155-C159 WeakPolarHBondContact O-CB 3.32Å; I155-C159 PolarHBondContact O-N 2.86Å; I155-C159 PolarHBondContact O-SG 3.25Å; L156-C159 PolarHBondContact O-N 3.19Å; D157-C159 VanDerWaalsContact C-N 3.29Å; D157-C159 PolarHBondContact O-N 3.3Å; C159-K162 PolarHBondContact O-N 2.97Å; C159-E163 WeakPolarHBondContact O-CA 3.48Å; C159-E163 PolarHBondContact O-N 2.9Å; C159-Y165 HydrophobicContact CB-CD1 3.77Å; C159-Y165 HydrophobicContact CB-CE1 3.99Å; C159-Y165 HydrophobicContact CB-CG 4.46Å
160	G	68.1	Low	74.6	Confident	41 Å²	41	73.2 Å²	73.2	42%	0.423	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-40.9	175.6	0	0	0	0	0	112.7	L156 D157 K162	L156-G160 PolarHBondContact O-N 2.7Å; D157-G160 PolarHBondContact O-N 3.19Å; D157-G160 VanDerWaalsContact O-N 3.1Å; G160-K162 PolarHBondContact O-N 3.15Å
161	E	68.2	Low	74.8	Confident	163 Å²	163	66.5 Å²	66.5	76%	0.762	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.8	173.9	-72.1	-174	162.8	0	0	113.9	D157	D157-E161 PolarHBondContact O-N 3.04Å
162	K	66.8	Low	74.9	Confident	117 Å²	117	63.9 Å²	63.9	51%	0.509	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-5.7	-171.4	-66	172.7	-174.1	165.3	0	114	D139 I158 C159 G160 D164	D139-K162 IonicContact OD2-NZ 2.66Å; D139-K162 PolarHBondContact OD2-NZ 3.48Å; I158-K162 HydrophobicContact CG2-CD 4.15Å; I158-K162 VanDerWaalsContact CG2-NZ 3.32Å; I158-K162 WeakPolarHBondContact O-CD 3.38Å; I158-K162 WeakPolarHBondContact O-CG 3.33Å; C159-K162 PolarHBondContact O-N 2.97Å; G160-K162 PolarHBondContact O-N 3.15Å; K162-D164 PolarHBondContact O-N 3.27Å
163	E	66.8	Low	74.9	Confident	175 Å²	175	64.7 Å²	64.7	82%	0.818	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	9.3	-169.7	-63.4	-172	162.3	0	0	115.7	C159	C159-E163 WeakPolarHBondContact O-CA 3.48Å; C159-E163 PolarHBondContact O-N 2.9Å
164	D	74.6	Confident	75	Confident	78 Å²	78	66.2 Å²	66.2	42%	0.417	33%	0.326	S	S	.	.			trans	-111.5	103.3	-179	-177.9	19.5	0	0	0	111.7	K162 S166 P167	K162-D164 PolarHBondContact O-N 3.27Å; D164-S166 VanDerWaalsContact C-N 3.28Å; D164-S166 PolarHBondContact O-N 3.24Å; D164-S166 WeakPolarHBondContact OD1-CB 3.44Å; D164-S166 PolarHBondContact OD1-N 2.85Å; D164-S166 PolarHBondContact OD1-OG 2.84Å; D164-P167 WeakPolarHBondContact O-CD 3.13Å
165	Y	77.3	Confident	75.2	Confident	74 Å²	74	60.8 Å²	60.8	29%	0.29	30%	0.301	S	S	.	.			trans	-82	1.7	176.5	-61.9	-84	0	0	0	113.9	L156 C159 P167 L168 I169 N269 I272	L156-Y165 HydrophobicContact CD2-CE1 4.48Å; C159-Y165 HydrophobicContact CB-CD1 3.77Å; C159-Y165 HydrophobicContact CB-CE1 3.99Å; C159-Y165 HydrophobicContact CB-CG 4.46Å; Y165-P167 VanDerWaalsContact C-N 3.34Å; Y165-L168 HydrophobicContact CD1-CD2 4.32Å; Y165-L168 PolarHBondContact O-N 3.44Å; Y165-I169 WeakPolarHBondContact O-CG1 3.19Å; Y165-I169 PolarHBondContact O-N 2.92Å; Y165-N269 WeakPolarHBondContact CD2-ND2 3.29Å; Y165-I272 HydrophobicContact CD1-CD1 4.28Å
166	S	75.4	Confident	75.5	Confident	46 Å²	46	61 Å²	61	32%	0.322	30%	0.302	S	S	.	.	H	α-helix	trans	-55.4	-34.9	177.9	-58	0	0	0	0	115.2	D164 R170	D164-S166 VanDerWaalsContact C-N 3.28Å; D164-S166 PolarHBondContact O-N 3.24Å; D164-S166 WeakPolarHBondContact OD1-CB 3.44Å; D164-S166 PolarHBondContact OD1-N 2.85Å; D164-S166 PolarHBondContact OD1-OG 2.84Å; S166-R170 VanDerWaalsContact O-CG 3.3Å; S166-R170 WeakPolarHBondContact O-CG 3.38Å; S166-R170 PolarHBondContact O-N 3.04Å
167	P	75.1	Confident	75.8	Confident	40 Å²	40	61.9 Å²	61.9	26%	0.26	31%	0.309	S	S	.	.	H	α-helix	trans	-65.1	-47.1	174.4	-20.6	34	0	0	0	111.9	F141 D164 Y165 R170 V171	F141-P167 HydrophobicContact CD2-CB 4.14Å; F141-P167 HydrophobicContact CE2-CB 4.5Å; D164-P167 WeakPolarHBondContact O-CD 3.13Å; Y165-P167 VanDerWaalsContact C-N 3.34Å; P167-R170 PolarHBondContact O-N 2.67Å; P167-V171 WeakPolarHBondContact O-CG2 3.49Å; P167-V171 PolarHBondContact O-N 2.95Å; P167-V171 VanDerWaalsContact O-N 3.09Å
168	L	77.8	Confident	76.3	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-62.3	-46	-179.9	-177.9	55.8	0	0	0	111.8	I155 L156 Y165 R170 V171 I172 L266 I272	I155-L168 HydrophobicContact CB-CD1 4.36Å; I155-L168 HydrophobicContact CG2-CB 3.8Å; I155-L168 HydrophobicContact CG2-CD1 3.72Å; I155-L168 HydrophobicContact CG2-CG 4.25Å; L156-L168 HydrophobicContact CD2-CD2 3.56Å; L156-L168 HydrophobicContact CG-CD2 3.99Å; Y165-L168 HydrophobicContact CD1-CD2 4.32Å; Y165-L168 PolarHBondContact O-N 3.44Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.11Å; L168-V171 PolarHBondContact O-N 2.77Å; L168-V171 VanDerWaalsContact O-N 3.14Å; L168-I172 HydrophobicContact CD1-CD1 3.76Å; L168-I172 HydrophobicContact CD1-CG1 4.08Å; L168-I172 HydrophobicContact CG-CD1 3.8Å; L168-I172 HydrophobicContact CG-CG1 4.49Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CG1 3.12Å; L168-I172 PolarHBondContact O-N 3.17Å; L168-L266 HydrophobicContact CD1-CD2 4.29Å; L168-L266 HydrophobicContact CD2-CD2 3.77Å; L168-L266 HydrophobicContact CG-CD2 4.37Å; L168-I272 HydrophobicContact CD2-CD1 3.71Å; L168-I272 HydrophobicContact CG-CD1 4.45Å
169	I	78.9	Confident	76.6	Confident	47 Å²	47	57.3 Å²	57.3	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-55.4	-40.4	175.2	-73.7	166.8	0	0	0	111.7	Y165 G173 K271 I272 A275	Y165-I169 WeakPolarHBondContact O-CG1 3.19Å; Y165-I169 PolarHBondContact O-N 2.92Å; I169-G173 PolarHBondContact O-N 3.2Å; I169-K271 HydrophobicContact CD1-CB 4.03Å; I169-I272 HydrophobicContact CG1-CG1 4.37Å; I169-A275 HydrophobicContact CB-CB 4.41Å; I169-A275 HydrophobicContact CG1-CB 4.32Å; I169-A275 HydrophobicContact CG2-CB 3.85Å
170	R	79.2	Confident	77	Confident	183 Å²	183	64.2 Å²	64.2	69%	0.691	32%	0.323	S	S	*	.	H	α-helix	trans	-71.6	-36.6	178.2	-71.7	170.9	-176.5	157.6	5.9	113.1	S166 P167 L168 R174	S166-R170 VanDerWaalsContact O-CG 3.3Å; S166-R170 WeakPolarHBondContact O-CG 3.38Å; S166-R170 PolarHBondContact O-N 3.04Å; P167-R170 PolarHBondContact O-N 2.67Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.11Å; R170-R174 WeakPolarHBondContact O-CB 3.38Å; R170-R174 PolarHBondContact O-N 3.27Å; R170-R174 VanDerWaalsContact O-N 3.12Å
171	V	79.8	Confident	77.4	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	31%	0.305	C	S	.	.	H	α-helix	trans	-70.4	-48.8	177.2	176	0	0	0	0	110.1	F141 I144 L147 I155 P167 L168 R174 V175	F141-V171 HydrophobicContact CB-CG2 3.85Å; I144-V171 HydrophobicContact CB-CG1 4.23Å; I144-V171 HydrophobicContact CG2-CG1 3.87Å; L147-V171 HydrophobicContact CD2-CG1 3.92Å; I155-V171 HydrophobicContact CD1-CG1 4.41Å; P167-V171 WeakPolarHBondContact O-CG2 3.49Å; P167-V171 PolarHBondContact O-N 2.95Å; P167-V171 VanDerWaalsContact O-N 3.09Å; L168-V171 PolarHBondContact O-N 2.77Å; L168-V171 VanDerWaalsContact O-N 3.14Å; V171-R174 PolarHBondContact O-N 3.19Å; V171-V175 HydrophobicContact CG1-CG2 4.42Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.39Å
172	I	80	Confident	78	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-56.8	-54.2	174.8	-70.7	171	0	0	0	110.1	L168 R174 V175 F176 L266 I272 F276	L168-I172 HydrophobicContact CD1-CD1 3.76Å; L168-I172 HydrophobicContact CD1-CG1 4.08Å; L168-I172 HydrophobicContact CG-CD1 3.8Å; L168-I172 HydrophobicContact CG-CG1 4.49Å; L168-I172 WeakPolarHBondContact O-CB 3.39Å; L168-I172 WeakPolarHBondContact O-CG1 3.12Å; L168-I172 PolarHBondContact O-N 3.17Å; I172-R174 PolarHBondContact O-N 3.16Å; I172-V175 PolarHBondContact O-N 3.03Å; I172-F176 HydrophobicContact CG2-CD2 4.09Å; I172-F176 WeakPolarHBondContact O-CB 3.29Å; I172-F176 PolarHBondContact O-N 3.34Å; I172-L266 HydrophobicContact CD1-CD1 4.08Å; I172-L266 HydrophobicContact CD1-CD2 4.13Å; I172-I272 HydrophobicContact CD1-CG2 3.59Å; I172-F276 HydrophobicContact CD1-CE2 4.27Å; I172-F276 HydrophobicContact CD1-CZ 4.03Å; I172-F276 HydrophobicContact CG1-CZ 4.47Å; I172-F276 HydrophobicContact CG2-CD1 3.58Å; I172-F276 HydrophobicContact CG2-CD2 4.43Å; I172-F276 HydrophobicContact CG2-CE1 3.44Å; I172-F276 VanDerWaalsContact CG2-CE1 3.44Å; I172-F276 HydrophobicContact CG2-CE2 4.33Å; I172-F276 HydrophobicContact CG2-CG 4.09Å; I172-F276 HydrophobicContact CG2-CZ 3.85Å
173	G	78.6	Confident	78.6	Confident	19 Å²	19	49.5 Å²	49.5	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-56.1	-35.9	-179.8	0	0	0	0	0	113.1	I169 S177	I169-G173 PolarHBondContact O-N 3.2Å; G173-S177 WeakPolarHBondContact O-CB 3.31Å; G173-S177 PolarHBondContact O-N 3.47Å; G173-S177 PolarHBondContact O-OG 3.13Å
174	R	80.9	Confident	79.1	Confident	107 Å²	107	45.8 Å²	45.8	40%	0.404	23%	0.23	S	C	.	.	H	α-helix	trans	-71.7	-52.5	174.9	-176.4	-166.7	-68.1	175.5	-13.6	112.8	K142 I144 R170 V171 I172 S177	K142-R174 PolarHBondContact O-NH1 3.36Å; K142-R174 PolarHBondContact O-NH2 3.15Å; I144-R174 PolarHBondContact O-NH1 3.34Å; R170-R174 WeakPolarHBondContact O-CB 3.38Å; R170-R174 PolarHBondContact O-N 3.27Å; R170-R174 VanDerWaalsContact O-N 3.12Å; V171-R174 PolarHBondContact O-N 3.19Å; I172-R174 PolarHBondContact O-N 3.16Å; R174-S177 PolarHBondContact O-N 3.28Å
175	V	81	Confident	79.4	Confident	1 Å²	1	42 Å²	42	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-44.9	-173.8	177.6	0	0	0	0	110.1	L147 V171 I172 S177 S178 L182	L147-V175 HydrophobicContact CD1-CB 4.29Å; L147-V175 HydrophobicContact CD1-CG1 4.14Å; L147-V175 HydrophobicContact CG-CB 4.34Å; L147-V175 HydrophobicContact CG-CG1 4.09Å; L147-V175 HydrophobicContact CG-CG2 4.23Å; V171-V175 HydrophobicContact CG1-CG2 4.42Å; V171-V175 WeakPolarHBondContact O-CG2 3.38Å; V171-V175 PolarHBondContact O-N 3.39Å; I172-V175 PolarHBondContact O-N 3.03Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.34Å; V175-S178 PolarHBondContact O-N 3.14Å; V175-S178 VanDerWaalsContact O-N 3.14Å; V175-L182 HydrophobicContact CG1-CD2 4.48Å
176	F	81.9	Confident	79.6	Confident	6 Å²	6	39 Å²	39	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-72.7	-19	179.7	-82.5	-102.8	0	0	0	114.1	L147 I172 S178 L182 Y263 F276 A279 L283 I309	L147-F176 HydrophobicContact CD1-CD2 4.33Å; L147-F176 HydrophobicContact CD1-CE2 3.77Å; I172-F176 HydrophobicContact CG2-CD2 4.09Å; I172-F176 WeakPolarHBondContact O-CB 3.29Å; I172-F176 PolarHBondContact O-N 3.34Å; F176-S178 VanDerWaalsContact C-N 3.3Å; F176-L182 HydrophobicContact CD1-CD1 4.2Å; F176-L182 HydrophobicContact CD1-CD2 3.77Å; F176-L182 HydrophobicContact CD2-CD2 4Å; F176-L182 HydrophobicContact CE1-CD2 3.69Å; F176-L182 HydrophobicContact CE2-CD2 3.93Å; F176-L182 HydrophobicContact CG-CD2 3.92Å; F176-L182 HydrophobicContact CZ-CD2 3.77Å; F176-Y263 WeakPolarHBondContact CE1-OH 3.36Å; F176-F276 AromaticContact CD1-CD1 3.92Å; F176-F276 HydrophobicContact CD1-CD1 3.92Å; F176-F276 AromaticContact CD1-CE1 3.99Å; F176-F276 HydrophobicContact CD1-CE1 3.99Å; F176-F276 HydrophobicContact CD2-CD1 4.28Å; F176-F276 AromaticContact CD2-CE1 3.82Å; F176-F276 HydrophobicContact CD2-CE1 3.82Å; F176-F276 HydrophobicContact CE1-CD1 4.08Å; F176-F276 AromaticContact CE1-CE1 3.78Å; F176-F276 HydrophobicContact CE1-CE1 3.78Å; F176-F276 HydrophobicContact CE2-CD1 4.43Å; F176-F276 AromaticContact CE2-CE1 3.61Å; F176-F276 HydrophobicContact CE2-CE1 3.61Å; F176-F276 HydrophobicContact CG-CD1 4.03Å; F176-F276 HydrophobicContact CG-CE1 4.02Å; F176-F276 HydrophobicContact CZ-CD1 4.34Å; F176-F276 AromaticContact CZ-CE1 3.6Å; F176-F276 HydrophobicContact CZ-CE1 3.6Å; F176-A279 HydrophobicContact CB-CB 3.58Å; F176-L283 WeakPolarHBondContact O-CB 3.19Å; F176-L283 WeakPolarHBondContact O-CD2 3.42Å; F176-I309 HydrophobicContact CE1-CG2 4.02Å; F176-I309 HydrophobicContact CZ-CG2 3.88Å
177	S	83.4	Confident	79.8	Confident	36 Å²	36	41.7 Å²	41.7	25%	0.252	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.9	170.8	-57.1	0	0	0	0	113.4	G173 R174 V175 A279	G173-S177 WeakPolarHBondContact O-CB 3.31Å; G173-S177 PolarHBondContact O-N 3.47Å; G173-S177 PolarHBondContact O-OG 3.13Å; R174-S177 PolarHBondContact O-N 3.28Å; V175-S177 VanDerWaalsContact C-N 3.32Å; V175-S177 PolarHBondContact O-N 3.34Å; S177-A279 WeakPolarHBondContact OG-CA 3.42Å
178	S	84.8	Confident	79.6	Confident	47 Å²	47	45.8 Å²	45.8	33%	0.329	21%	0.211	S	C	.	.			trans	-120.7	119.8	-175.9	-178	0	0	0	0	111.5	V175 F176 E180 G181 L182	V175-S178 PolarHBondContact O-N 3.14Å; V175-S178 VanDerWaalsContact O-N 3.14Å; F176-S178 VanDerWaalsContact C-N 3.3Å; S178-E180 VanDerWaalsContact C-N 3.34Å; S178-E180 PolarHBondContact O-N 3.26Å; S178-G181 PolarHBondContact O-N 2.78Å; S178-L182 PolarHBondContact O-N 3.17Å; S178-L182 VanDerWaalsContact O-N 3.14Å
179	A	80	Confident	78.2	Confident	14 Å²	14	51 Å²	51	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-43.2	177.9	0	0	0	0	0	112.1	G181 L182 V183 L283 V287 Y303 L306	A179-G181 VanDerWaalsContact C-N 3.3Å; A179-G181 PolarHBondContact O-N 2.91Å; A179-L182 PolarHBondContact O-N 3.45Å; A179-V183 WeakPolarHBondContact O-CB 3.45Å; A179-V183 VanDerWaalsContact O-CG2 3.23Å; A179-V183 WeakPolarHBondContact O-CG2 3.45Å; A179-V183 PolarHBondContact O-N 3.22Å; A179-L283 HydrophobicContact CB-CD1 4.32Å; A179-V287 HydrophobicContact CB-CG2 4.32Å; A179-Y303 HydrophobicContact CB-CE2 4.03Å; A179-L306 HydrophobicContact CB-CD1 3.91Å
180	E	78.6	Confident	76.1	Confident	147 Å²	147	57.9 Å²	57.9	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-60.1	-39.3	176.6	-63.4	-174.6	168.4	0	0	112.4	S178 Q184	S178-E180 VanDerWaalsContact C-N 3.34Å; S178-E180 PolarHBondContact O-N 3.26Å; E180-Q184 WeakPolarHBondContact O-CG 3.34Å; E180-Q184 PolarHBondContact O-N 2.83Å
181	G	76.8	Confident	73.8	Confident	5 Å²	5	55 Å²	55	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-45.1	178.9	0	0	0	0	0	112.8	N145 S178 A179 Q184 S185	N145-G181 WeakPolarHBondContact O-CA 3.15Å; S178-G181 PolarHBondContact O-N 2.78Å; A179-G181 VanDerWaalsContact C-N 3.3Å; A179-G181 PolarHBondContact O-N 2.91Å; G181-Q184 PolarHBondContact O-N 3.06Å; G181-S185 PolarHBondContact O-N 3.17Å; G181-S185 VanDerWaalsContact O-N 3.15Å; G181-S185 PolarHBondContact O-OG 3.36Å
182	L	80	Confident	71.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-41	175.5	-74.7	174.3	0	0	0	112.5	V175 F176 S178 A179 Q184 S185 L283 L306 I309	V175-L182 HydrophobicContact CG1-CD2 4.48Å; F176-L182 HydrophobicContact CD1-CD1 4.2Å; F176-L182 HydrophobicContact CD1-CD2 3.77Å; F176-L182 HydrophobicContact CD2-CD2 4Å; F176-L182 HydrophobicContact CE1-CD2 3.69Å; F176-L182 HydrophobicContact CE2-CD2 3.93Å; F176-L182 HydrophobicContact CG-CD2 3.92Å; F176-L182 HydrophobicContact CZ-CD2 3.77Å; S178-L182 PolarHBondContact O-N 3.17Å; S178-L182 VanDerWaalsContact O-N 3.14Å; A179-L182 PolarHBondContact O-N 3.45Å; L182-Q184 PolarHBondContact O-N 3.46Å; L182-S185 PolarHBondContact O-N 2.82Å; L182-L283 HydrophobicContact CD1-CD1 4.33Å; L182-L283 HydrophobicContact CD1-CD2 3.52Å; L182-L306 HydrophobicContact CB-CB 4.37Å; L182-L306 HydrophobicContact CB-CG 4.3Å; L182-L306 HydrophobicContact CD1-CD1 4.31Å; L182-L306 HydrophobicContact CD1-CG 3.96Å; L182-I309 HydrophobicContact CD2-CG2 4.05Å; L182-I309 WeakPolarHBondContact O-CD1 3.48Å
183	V	79.9	Confident	69.2	Low	7 Å²	7	65.7 Å²	65.7	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-28	178.2	168.1	0	0	0	0	112.8	A179 R187 N302 Y303 N305 L306	A179-V183 WeakPolarHBondContact O-CB 3.45Å; A179-V183 VanDerWaalsContact O-CG2 3.23Å; A179-V183 WeakPolarHBondContact O-CG2 3.45Å; A179-V183 PolarHBondContact O-N 3.22Å; V183-R187 VanDerWaalsContact O-CZ 3.3Å; V183-R187 PolarHBondContact O-NE 3.09Å; V183-R187 PolarHBondContact O-NH2 3.46Å; V183-N302 HydrophobicContact CG1-CB 3.91Å; V183-Y303 HydrophobicContact CG2-CD2 4.02Å; V183-Y303 HydrophobicContact CG2-CG 4.49Å; V183-N305 PolarHBondContact O-ND2 3.34Å; V183-N305 VanDerWaalsContact O-ND2 3.17Å; V183-L306 HydrophobicContact CG2-CB 4.45Å
184	Q	77.1	Confident	67.2	Low	97 Å²	97	73.4 Å²	73.4	45%	0.453	37%	0.365	S	S	.	.	H	α-helix	trans	-91.6	-10.2	175.7	-67	179.9	22.5	0	0	114.3	Y146 E180 G181 L182	Y146-Q184 HydrophobicContact CG-CB 4.39Å; E180-Q184 WeakPolarHBondContact O-CG 3.34Å; E180-Q184 PolarHBondContact O-N 2.83Å; G181-Q184 PolarHBondContact O-N 3.06Å; L182-Q184 PolarHBondContact O-N 3.46Å
185	S	81.9	Confident	65.2	Low	0 Å²	0	75.8 Å²	75.8	0%	0	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	152.5	-176.6	-65.1	0	0	0	0	112.9	L147 G181 L182 R187	L147-S185 PolarHBondContact N-OG 2.62Å; L147-S185 CarbonylContact O-C 3.6Å; L147-S185 WeakPolarHBondContact O-CA 3.43Å; G181-S185 PolarHBondContact O-N 3.17Å; G181-S185 VanDerWaalsContact O-N 3.15Å; G181-S185 PolarHBondContact O-OG 3.36Å; L182-S185 PolarHBondContact O-N 2.82Å; S185-R187 PolarHBondContact O-N 2.82Å; S185-R187 VanDerWaalsContact O-N 3.08Å
186	F	79.8	Confident	63.2	Low	9 Å²	9	80.7 Å²	80.7	4%	0.039	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	31.1	173.5	-56.6	-74.3	0	0	0	115.6	L147 V152 V254 D255 V259 V262 I309	L147-F186 HydrophobicContact CB-CE1 4.36Å; L147-F186 HydrophobicContact CB-CE2 3.79Å; L147-F186 HydrophobicContact CB-CZ 3.68Å; L147-F186 HydrophobicContact CD1-CE2 4.35Å; L147-F186 HydrophobicContact CD1-CZ 4.39Å; L147-F186 PolarHBondContact O-N 3.02Å; V152-F186 HydrophobicContact CG2-CZ 4.28Å; F186-V254 HydrophobicContact CB-CG1 4.13Å; F186-V254 CarbonylContact O-C 3.58Å; F186-V254 WeakPolarHBondContact O-CA 3.5Å; F186-D255 PolarHBondContact O-N 3.08Å; F186-V259 HydrophobicContact CB-CG2 3.56Å; F186-V259 HydrophobicContact CD1-CG2 4.07Å; F186-V259 HydrophobicContact CD2-CG2 3.67Å; F186-V259 HydrophobicContact CE2-CG2 4.38Å; F186-V259 HydrophobicContact CG-CG2 3.48Å; F186-V259 VanDerWaalsContact CG-CG2 3.48Å; F186-V262 HydrophobicContact CE1-CB 4.44Å; F186-V262 HydrophobicContact CE1-CG1 4.37Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CZ-CG1 4.03Å; F186-I309 HydrophobicContact CD2-CD1 4.24Å; F186-I309 HydrophobicContact CD2-CG1 4.5Å
187	R	80.6	Confident	61.1	Low	104 Å²	104	84.8 Å²	84.8	39%	0.392	43%	0.425	S	S	.	.	B	Isolated β-bridge	trans	-70.8	136.1	176.8	-67.3	-177.3	177.2	-166.2	-2.1	111.3	V183 S185 S189 S253	V183-R187 VanDerWaalsContact O-CZ 3.3Å; V183-R187 PolarHBondContact O-NE 3.09Å; V183-R187 PolarHBondContact O-NH2 3.46Å; S185-R187 PolarHBondContact O-N 2.82Å; S185-R187 VanDerWaalsContact O-N 3.08Å; R187-S189 PolarHBondContact O-N 3.22Å; R187-S253 CarbonylContact C-O 3.28Å; R187-S253 WeakPolarHBondContact CA-O 3.31Å
188	R	70.8	Confident	58.9	Low	126 Å²	126	89.7 Å²	89.7	48%	0.475	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-52.4	127.1	173.9	-66.2	-178.9	-179.5	178.9	-1.9	110.1	E251 S253 D255	R188-E251 IonicContact CZ-OE1 3.38Å; R188-E251 IonicContact NH1-OE1 2.64Å; R188-E251 PolarHBondContact NH1-OE1 3.15Å; R188-E251 IonicContact NH1-OE2 2.76Å; R188-E251 IonicContact NH2-OE1 3.43Å; R188-S253 PolarHBondContact N-O 3.24Å; R188-D255 HydrophobicContact CG-CB 4.16Å
189	S	48.4	Very low	56.7	Low	110 Å²	110	91.2 Å²	91.2	77%	0.769	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-70.9	145.8	174.3	47.8	0	0	0	0	110.4	R187	R187-S189 PolarHBondContact O-N 3.22Å
190	K	34	Very low	54.8	Low	192 Å²	192	97 Å²	97	84%	0.835	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-63.8	135.4	173.4	-68	-177.4	178.3	-176	0	108.7	H192	K190-H192 PolarHBondContact O-N 3.32Å
191	P	32.5	Very low	52.7	Low	122 Å²	122	96.9 Å²	96.9	79%	0.792	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-63.7	125.9	162.9	28.1	-32.1	0	0	0	108.1	T193	P191-T193 PolarHBondContact O-N 3.1Å
192	H	29.6	Very low	50.8	Low	138 Å²	138	104.7 Å²	104.7	64%	0.639	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-58.4	125.1	171.6	-78.2	-78.7	0	0	0	109.1	K190 E196 L197	K190-H192 PolarHBondContact O-N 3.32Å; H192-E196 IonicContact CE1-OE2 3.48Å; H192-E196 IonicContact ND1-OE2 2.88Å; H192-E196 PolarHBondContact ND1-OE2 3.35Å; H192-L197 HydrophobicContact CB-CD1 4.35Å
193	T	33	Very low	48.7	Very low	92 Å²	92	113.1 Å²	113.1	56%	0.564	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-61.7	141.4	170.3	27.1	0	0	0	0	109.2	P191 E195 E196	P191-T193 PolarHBondContact O-N 3.1Å; T193-E195 PolarHBondContact O-N 2.99Å; T193-E196 PolarHBondContact O-N 2.85Å; T193-E196 VanDerWaalsContact O-N 3.1Å
194	K	36.2	Very low	46.6	Very low	181 Å²	181	120 Å²	120	79%	0.787	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	3.1	-172.5	-139.9	172.8	-173.9	175	0	115.2
195	E	38.7	Very low	44.4	Very low	158 Å²	158	124.5 Å²	124.5	74%	0.738	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-31.9	-178.9	-62	179.6	146.5	0	0	112.1	T193 K198	T193-E195 PolarHBondContact O-N 2.99Å; E195-K198 PolarHBondContact O-N 3.35Å
196	E	38.2	Very low	42	Very low	104 Å²	104	132.1 Å²	132.1	49%	0.486	65%	0.651	S	S	.	*	H	α-helix	trans	-74	-30.6	174.3	-69.7	-172.2	147.8	0	0	112.4	H192 T193 K198 S199	H192-E196 IonicContact CE1-OE2 3.48Å; H192-E196 IonicContact ND1-OE2 2.88Å; H192-E196 PolarHBondContact ND1-OE2 3.35Å; T193-E196 PolarHBondContact O-N 2.85Å; T193-E196 VanDerWaalsContact O-N 3.1Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.2Å; E196-S199 PolarHBondContact O-N 2.95Å; E196-S199 PolarHBondContact O-OG 3.29Å; E196-S199 VanDerWaalsContact O-OG 3.04Å
197	L	37.9	Very low	39.6	Very low	91 Å²	91	140.6 Å²	140.6	48%	0.476	69%	0.687	S	S	.	*	H	α-helix	trans	-67.7	-27.3	174.9	-87.6	147.7	0	0	0	112.8	H192 Q201	H192-L197 HydrophobicContact CB-CD1 4.35Å; L197-Q201 WeakPolarHBondContact O-CG 3.21Å; L197-Q201 PolarHBondContact O-N 3.29Å
198	K	39	Very low	37.2	Very low	140 Å²	140	142.6 Å²	142.6	61%	0.609	71%	0.706	S	S	*	*	H	α-helix	trans	-74.6	-38.5	176.4	-77.9	-171.5	170.3	-170.5	0	113	E195 E196 L200 Q201 E202	E195-K198 PolarHBondContact O-N 3.35Å; E196-K198 VanDerWaalsContact C-N 3.28Å; E196-K198 PolarHBondContact O-N 3.2Å; K198-L200 PolarHBondContact O-N 3.23Å; K198-Q201 PolarHBondContact O-N 3.02Å; K198-E202 PolarHBondContact O-N 3.46Å
199	S	37.8	Very low	35.2	Very low	79 Å²	79	145.5 Å²	145.5	55%	0.552	73%	0.725	S	S	*	*	H	α-helix	trans	-71.1	-13.1	-179.8	62.9	0	0	0	0	113.9	E196	E196-S199 PolarHBondContact O-N 2.95Å; E196-S199 PolarHBondContact O-OG 3.29Å; E196-S199 VanDerWaalsContact O-OG 3.04Å
200	L	39.3	Very low	34.3	Very low	136 Å²	136	147.4 Å²	147.4	71%	0.712	73%	0.726	S	S	*	*	H	α-helix	trans	-95.4	-20.6	173.1	-70	168.3	0	0	0	113.7	K198	K198-L200 PolarHBondContact O-N 3.23Å
201	Q	35.9	Very low	34.1	Very low	143 Å²	143	146 Å²	146	67%	0.668	72%	0.723	S	S	*	*	H	α-helix	trans	-89.6	-20.6	179.2	-74.8	-178.4	-39.9	0	0	113.9	L197 K198 K203	L197-Q201 WeakPolarHBondContact O-CG 3.21Å; L197-Q201 PolarHBondContact O-N 3.29Å; K198-Q201 PolarHBondContact O-N 3.02Å; Q201-K203 PolarHBondContact O-N 3.21Å
202	E	36	Very low	33.9	Very low	170 Å²	170	148.1 Å²	148.1	79%	0.794	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	19.6	178.8	-71.1	-176.1	170.6	0	0	115.1	K198	K198-E202 PolarHBondContact O-N 3.46Å
203	K	35.4	Very low	33.8	Very low	177 Å²	177	149.3 Å²	149.3	77%	0.77	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	-11.3	-173.8	-89.7	-170.8	175.7	177.9	0	118.6	Q201	Q201-K203 PolarHBondContact O-N 3.21Å
204	D	35.8	Very low	33.4	Very low	151 Å²	151	150.1 Å²	150.1	81%	0.807	74%	0.741	S	S	*	*	S	Bend	trans	-136.3	36.4	-172.5	-80.9	-52.3	0	0	0	114
205	E	30.6	Very low	32.9	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	75%	0.745	S	S	*	*			trans	-130.4	79.4	168.5	-71.8	-168.6	178.6	0	0	112
206	D	31.6	Very low	32.2	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	75%	0.747	S	S	*	*			trans	-132	73.1	166.7	-148.3	11.5	0	0	0	107.9
207	K	30.3	Very low	31.5	Very low	186 Å²	186	144.5 Å²	144.5	81%	0.809	77%	0.765	S	S	*	*			trans	-175.8	142.9	153.8	-106.8	166.5	-171.2	179.6	0	117.3
208	D	30.1	Very low	30.9	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	78%	0.778	S	S	*	*			trans	70.6	83.7	150.9	-53.6	-23.1	0	0	0	117.6
209	E	29.8	Very low	30.2	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	78%	0.782	S	S	*	*			trans	-55.2	139.4	146.1	-55.3	178.5	132.8	0	0	109.9
210	D	28.1	Very low	29.5	Very low	151 Å²	151	145.7 Å²	145.7	81%	0.807	80%	0.798	S	S	*	*				-175.7	160.8	111.6	-121.4	-36.3	0	0	0	115.5
211	E	29.8	Very low	28.8	Very low	162 Å²	162	143.5 Å²	143.5	76%	0.757	80%	0.799	S	S	*	*			trans	67.5	87.5	158.1	-65.2	-167.2	156	0	0	122.9
212	K	29.2	Very low	28.3	Very low	167 Å²	167	144.8 Å²	144.8	73%	0.726	81%	0.807	S	S	*	*				71.2	118	107.9	-79.7	-171.5	166.8	-170.1	0	124.5
213	E	26.8	Very low	27.7	Very low	162 Å²	162	144.6 Å²	144.6	76%	0.757	81%	0.806	S	S	*	*				55.8	111.2	114.7	-63.7	-179.9	135.5	0	0	121.2
214	A	25.8	Very low	27.2	Very low	109 Å²	109	145.2 Å²	145.2	90%	0.901	81%	0.812	S	S	*	*				-170.5	127.3	115.3	0	0	0	0	0	111.4
215	A	25.4	Very low	26.5	Very low	105 Å²	105	144.8 Å²	144.8	87%	0.868	81%	0.809	S	S	*	*			trans	-115.9	138.6	174.3	0	0	0	0	0	111.2
216	A	23.5	Very low	26.3	Very low	93 Å²	93	140.3 Å²	140.3	77%	0.769	80%	0.799	S	S	*	*			trans	-169.9	117.7	151.1	0	0	0	0	0	112.5
217	C	23.3	Very low	26.4	Very low	128 Å²	128	137.7 Å²	137.7	87%	0.865	79%	0.791	S	S	*	*			trans	44.3	139	132.5	-59.1	0	0	0	0	121.6
218	S	24.8	Very low	26	Very low	107 Å²	107	134.5 Å²	134.5	75%	0.748	79%	0.787	S	S	*	*			cis	-175.6	144.7	1.4	46	0	0	0	0	114.5
219	A	24.5	Very low	25.8	Very low	86 Å²	86	132.7 Å²	132.7	71%	0.711	79%	0.786	S	S	*	*			trans	80.4	144.2	137	0	0	0	0	0	123
220	T	22.9	Very low	25.6	Very low	142 Å²	142	128.8 Å²	128.8	87%	0.871	78%	0.779	S	S	*	*			trans	68.3	135.2	171	68	0	0	0	0	116
221	A	25.1	Very low	25.4	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	78%	0.779	S	S	*	*			cis	-164.8	158.3	-12.9	0	0	0	0	0	107
222	M	26.3	Very low	25.3	Very low	169 Å²	169	122.8 Å²	122.8	83%	0.833	77%	0.767	S	S	*	*			cis	-155.7	175.8	-0.4	-130.8	161.8	67.5	0	0	109.5
223	E	23.1	Very low	25.1	Very low	167 Å²	167	125.1 Å²	125.1	78%	0.78	77%	0.771	S	S	*	*			trans	-116.3	153.7	168.3	-65.4	176.7	145.3	0	0	109.5
224	E	23.9	Very low	25	Very low	190 Å²	190	124.8 Å²	124.8	89%	0.888	77%	0.774	S	S	*	*			trans	-138.2	134.5	144.1	-83.5	-155.6	152.1	0	0	110.4
225	D	20.9	Very low	24.9	Very low	141 Å²	141	123.2 Å²	123.2	75%	0.754	77%	0.769	S	S	*	*			trans	-91.3	162.8	-175.7	-87	-55	0	0	0	113.1
226	S	28	Very low	24.8	Very low	98 Å²	98	127.2 Å²	127.2	69%	0.685	77%	0.769	S	S	*	*			trans	-56.8	167	152.1	72.2	0	0	0	0	112
227	P	32.4	Very low	24.6	Very low	105 Å²	105	129.4 Å²	129.4	68%	0.682	78%	0.777	S	S	*	*				-164.8	157.2	74.1	44	-21.5	0	0	0	120.5
228	T	22.8	Very low	24.7	Very low	119 Å²	119	128.4 Å²	128.4	73%	0.73	77%	0.772	S	S	*	*			trans	55.2	126.4	136.6	60.5	0	0	0	0	125.7
229	S	24.8	Very low	24.5	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	78%	0.777	S	S	*	*				76.2	150.7	127.9	78.2	0	0	0	0	120.7
230	S	25.7	Very low	24.4	Very low	104 Å²	104	128.5 Å²	128.5	73%	0.727	78%	0.779	S	S	*	*			cis	-176.5	169.9	-15.3	53.4	0	0	0	0	112.7
231	S	25.5	Very low	24.4	Very low	116 Å²	116	130.3 Å²	130.3	81%	0.811	78%	0.777	S	S	*	*			trans	80.4	162.1	148.6	-129.6	0	0	0	0	118.4
232	S	26.3	Very low	24.4	Very low	71 Å²	71	133.3 Å²	133.3	50%	0.497	78%	0.781	S	S	.	*			cis	-158.4	161.8	11.4	64	0	0	0	0	114.4
233	R	25.4	Very low	24.6	Very low	216 Å²	216	132.5 Å²	132.5	82%	0.815	78%	0.78	S	S	*	*			trans	96.1	146.8	154.6	-62.7	157.5	-149.6	-110.1	-6.3	118.9
234	L	24.3	Very low	24.8	Very low	156 Å²	156	130.7 Å²	130.7	82%	0.817	78%	0.78	S	S	*	*			cis	-167.1	161.7	-26.3	-117.6	177.5	0	0	0	109.9
235	G	23	Very low	25.1	Very low	76 Å²	76	130.3 Å²	130.3	78%	0.784	78%	0.778	S	S	*	*			trans	155.7	87.3	164.5	0	0	0	0	0	115.1
236	E	23.4	Very low	25.5	Very low	188 Å²	188	132.9 Å²	132.9	88%	0.879	78%	0.783	S	S	*	*			trans	-96.3	145.5	179.8	-65.6	-178.1	133.2	0	0	113.6
237	C	19.5	Very low	25.9	Very low	139 Å²	139	133.5 Å²	133.5	94%	0.939	78%	0.778	S	S	*	*			trans	-158.2	151	137.6	-137.1	0	0	0	0	110.4
238	S	25.1	Very low	26.2	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	77%	0.767	S	S	*	*			trans	-114.2	149.8	-158.9	54.7	0	0	0	0	115.1
239	S	22.4	Very low	27.4	Very low	123 Å²	123	130.4 Å²	130.4	86%	0.86	77%	0.765	S	S	*	*				166.9	137.3	129.6	44	0	0	0	0	114.5
240	G	21.9	Very low	28.6	Very low	72 Å²	72	128 Å²	128	74%	0.742	74%	0.743	S	S	*	*			trans	80.5	103.2	136.8	0	0	0	0	0	121.7
241	E	23.6	Very low	30.1	Very low	179 Å²	179	127.2 Å²	127.2	84%	0.836	73%	0.728	S	S	*	*			trans	61.5	105.7	138.6	-55.4	-175.4	166	0	0	121.2
242	N	23.3	Very low	32	Very low	154 Å²	154	122.2 Å²	122.2	82%	0.824	69%	0.692	S	S	*	*				159.6	134.2	110.9	-85	-66.3	0	0	0	112.2	V244	N242-V244 PolarHBondContact O-N 3.18Å
243	D	30.6	Very low	34.3	Very low	151 Å²	151	119.7 Å²	119.7	81%	0.807	68%	0.675	S	S	*	*			trans	-71	110.7	-176.5	-85.1	-53.8	0	0	0	114
244	V	28.7	Very low	36.8	Very low	130 Å²	130	109.5 Å²	109.5	79%	0.788	64%	0.637	S	S	*	*			trans	-140.4	98.9	146.5	-176.6	0	0	0	0	108.1	N242 K246	N242-V244 PolarHBondContact O-N 3.18Å; V244-K246 PolarHBondContact O-N 2.89Å
245	Q	30.1	Very low	39.6	Very low	181 Å²	181	104.5 Å²	104.5	85%	0.846	61%	0.611	S	S	*	*			trans	-68.2	103.2	172.2	-79.7	173	-27.3	0	0	109.7	L247	Q245-L247 PolarHBondContact O-N 2.68Å
246	K	28.5	Very low	42.4	Very low	195 Å²	195	101.5 Å²	101.5	85%	0.848	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61.7	129.2	169	-76.3	178.7	172	178.2	0	109.4	V244	V244-K246 PolarHBondContact O-N 2.89Å
247	L	37.6	Very low	45.1	Very low	111 Å²	111	97 Å²	97	58%	0.581	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.6	160.2	154.2	-78.6	95.6	0	0	0	109.4	Q245 E251	Q245-L247 PolarHBondContact O-N 2.68Å; L247-E251 HydrophobicContact CD2-CB 4.35Å
248	A	38.3	Very low	48.1	Very low	56 Å²	56	90.5 Å²	90.5	46%	0.463	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-52.1	143.3	168.9	0	0	0	0	0	110.2	D250 E251	A248-D250 PolarHBondContact O-N 2.69Å; A248-E251 HydrophobicContact CB-CG 4.43Å; A248-E251 PolarHBondContact O-N 3.15Å
249	P	46.5	Very low	50.8	Low	104 Å²	104	85.4 Å²	85.4	68%	0.675	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-36.3	-167.9	-27.8	33.9	0	0	0	114.6	K343	P249-K343 WeakPolarHBondContact O-CE 3.17Å; P249-K343 PolarHBondContact O-NZ 3.14Å
250	D	51.6	Low	53.8	Low	59 Å²	59	81.8 Å²	81.8	32%	0.316	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-7.7	-169.4	-53.4	-64.9	0	0	0	114.3	A248 R346	A248-D250 PolarHBondContact O-N 2.69Å; D250-R346 WeakPolarHBondContact OD1-CD 3.49Å; D250-R346 IonicContact OD1-CZ 2.81Å; D250-R346 IonicContact OD1-NE 3.58Å; D250-R346 IonicContact OD1-NH1 2.6Å; D250-R346 PolarHBondContact OD1-NH1 3.26Å
251	E	56.9	Low	56.7	Low	87 Å²	87	83.4 Å²	83.4	41%	0.407	43%	0.428	S	S	.	.			trans	-74	141.1	176.3	-75.4	-158.2	116.6	0	0	112.5	R188 L247 A248 K343	R188-E251 IonicContact CZ-OE1 3.38Å; R188-E251 IonicContact NH1-OE1 2.64Å; R188-E251 PolarHBondContact NH1-OE1 3.15Å; R188-E251 IonicContact NH1-OE2 2.76Å; R188-E251 IonicContact NH2-OE1 3.43Å; L247-E251 HydrophobicContact CD2-CB 4.35Å; A248-E251 HydrophobicContact CB-CG 4.43Å; A248-E251 PolarHBondContact O-N 3.15Å; E251-K343 WeakPolarHBondContact O-CE 3.26Å; E251-K343 PolarHBondContact O-NZ 2.98Å
252	V	65.3	Low	59.5	Low	10 Å²	10	75.1 Å²	75.1	6%	0.061	39%	0.389	C	S	.	.			trans	-105.3	144.4	173.1	175.2	0	0	0	0	108.4	V254 N305 V308 L347	V252-V254 HydrophobicContact CG1-CB 4.35Å; V252-V254 HydrophobicContact CG1-CG2 4.11Å; V252-V254 PolarHBondContact O-N 2.89Å; V252-V254 VanDerWaalsContact O-N 3.13Å; V252-N305 WeakPolarHBondContact CG1-OD1 3.35Å; V252-V308 HydrophobicContact CG1-CG2 4.5Å; V252-L347 HydrophobicContact CB-CD1 4.14Å; V252-L347 HydrophobicContact CB-CD2 4.31Å; V252-L347 HydrophobicContact CG2-CD1 4.03Å; V252-L347 HydrophobicContact CG2-CD2 3.98Å; V252-L347 HydrophobicContact CG2-CG 4.42Å
253	S	73.9	Confident	62.4	Low	19 Å²	19	68.1 Å²	68.1	13%	0.133	35%	0.351	C	S	.	.	S	Bend	trans	-74.1	-1.4	-170.8	53.6	0	0	0	0	114.8	R187 R188 N302 N305	R187-S253 CarbonylContact C-O 3.28Å; R187-S253 WeakPolarHBondContact CA-O 3.31Å; R188-S253 PolarHBondContact N-O 3.24Å; S253-N302 PolarHBondContact OG-OD1 3.19Å; S253-N305 PolarHBondContact OG-ND2 2.93Å
254	V	79	Confident	64.9	Low	2 Å²	2	67.5 Å²	67.5	1%	0.012	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-85.9	140.4	-175.7	-179.3	0	0	0	0	111.9	F186 V252 V259 N305 I309	F186-V254 HydrophobicContact CB-CG1 4.13Å; F186-V254 CarbonylContact O-C 3.58Å; F186-V254 WeakPolarHBondContact O-CA 3.5Å; V252-V254 HydrophobicContact CG1-CB 4.35Å; V252-V254 HydrophobicContact CG1-CG2 4.11Å; V252-V254 PolarHBondContact O-N 2.89Å; V252-V254 VanDerWaalsContact O-N 3.13Å; V254-V259 HydrophobicContact CG1-CG2 3.9Å; V254-N305 HydrophobicContact CG2-CB 3.55Å; V254-I309 HydrophobicContact CG1-CG1 4.15Å; V254-I309 HydrophobicContact CG2-CD1 4.34Å; V254-I309 HydrophobicContact CG2-CG1 4.47Å
255	D	81.5	Confident	67.2	Low	50 Å²	50	68.6 Å²	68.6	27%	0.267	33%	0.334	S	S	.	.			trans	-84.3	102.5	163.1	-172.7	-32.6	0	0	0	108.9	F186 R188 E257 A258 V259	F186-D255 PolarHBondContact O-N 3.08Å; R188-D255 HydrophobicContact CG-CB 4.16Å; D255-E257 PolarHBondContact OD1-N 3.28Å; D255-A258 HydrophobicContact CB-CB 3.86Å; D255-A258 VanDerWaalsContact CG-CB 3.42Å; D255-A258 WeakPolarHBondContact OD1-CB 3.24Å; D255-A258 PolarHBondContact OD1-N 3.39Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 2.89Å
256	I	81.9	Confident	69.6	Low	14 Å²	14	60.2 Å²	60.2	7%	0.072	29%	0.294	C	S	.	.	H	α-helix	trans	-74	-37.3	-172.9	-61.9	163	0	0	0	110	V259 R260 V308 E312 L347 Y351	I256-V259 PolarHBondContact O-N 3.11Å; I256-R260 WeakPolarHBondContact O-CG 3.37Å; I256-R260 PolarHBondContact O-N 2.98Å; I256-V308 HydrophobicContact CG1-CG1 4.14Å; I256-E312 HydrophobicContact CG2-CG 4.11Å; I256-E312 WeakPolarHBondContact CG2-OE1 3.4Å; I256-L347 HydrophobicContact CD1-CD1 4.31Å; I256-Y351 HydrophobicContact CD1-CE1 3.97Å
257	E	80.9	Confident	72	Confident	92 Å²	92	52.4 Å²	52.4	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-65.3	-39.5	178.6	-72.2	53.6	-118	0	0	111.1	D255 R260 R261	D255-E257 PolarHBondContact OD1-N 3.28Å; E257-R260 PolarHBondContact O-N 2.94Å; E257-R260 IonicContact OE1-NH1 2.76Å; E257-R260 PolarHBondContact OE1-NH1 2.78Å; E257-R261 WeakPolarHBondContact O-CG 3.28Å; E257-R261 PolarHBondContact O-N 3.5Å; E257-R261 VanDerWaalsContact O-N 3.12Å; E257-R261 PolarHBondContact O-NH1 3.09Å
258	A	81.7	Confident	73.8	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.033	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-44.3	171.8	0	0	0	0	0	112.5	E149 D255 R260 R261 V262	E149-A258 HydrophobicContact CB-CB 4.24Å; E149-A258 VanDerWaalsContact OE2-CB 3.3Å; E149-A258 WeakPolarHBondContact OE2-CB 3.11Å; D255-A258 HydrophobicContact CB-CB 3.86Å; D255-A258 VanDerWaalsContact CG-CB 3.42Å; D255-A258 WeakPolarHBondContact OD1-CB 3.24Å; D255-A258 PolarHBondContact OD1-N 3.39Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 3.47Å; A258-R261 VanDerWaalsContact CA-NH2 3.35Å; A258-R261 PolarHBondContact O-N 3.48Å; A258-V262 WeakPolarHBondContact O-CB 3.25Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.41Å; A258-V262 VanDerWaalsContact O-N 3.08Å
259	V	83.5	Confident	75.7	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-59.6	-42.7	175.9	170.5	0	0	0	0	111.2	F186 V254 D255 I256 V262 Y263 I309 E312	F186-V259 HydrophobicContact CB-CG2 3.56Å; F186-V259 HydrophobicContact CD1-CG2 4.07Å; F186-V259 HydrophobicContact CD2-CG2 3.67Å; F186-V259 HydrophobicContact CE2-CG2 4.38Å; F186-V259 HydrophobicContact CG-CG2 3.48Å; F186-V259 VanDerWaalsContact CG-CG2 3.48Å; V254-V259 HydrophobicContact CG1-CG2 3.9Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 2.89Å; I256-V259 PolarHBondContact O-N 3.11Å; V259-V262 PolarHBondContact O-N 3.45Å; V259-Y263 HydrophobicContact CG1-CD2 3.61Å; V259-Y263 HydrophobicContact CG1-CE2 3.46Å; V259-Y263 VanDerWaalsContact CG1-CE2 3.46Å; V259-Y263 VanDerWaalsContact O-CD2 3.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.23Å; V259-Y263 PolarHBondContact O-N 3.06Å; V259-I309 HydrophobicContact CG2-CG1 4.21Å; V259-E312 HydrophobicContact CG1-CB 3.76Å; V259-E312 HydrophobicContact CG1-CG 4.26Å
260	R	83.8	Confident	77.1	Confident	46 Å²	46	53.5 Å²	53.5	17%	0.174	26%	0.257	C	S	.	.	H	α-helix	trans	-63.1	-49.6	179	-72.8	167	177.8	162.6	-3	112.5	I256 E257 A258 V262 Y263 E264 E312 Q355	I256-R260 WeakPolarHBondContact O-CG 3.37Å; I256-R260 PolarHBondContact O-N 2.98Å; E257-R260 PolarHBondContact O-N 2.94Å; E257-R260 IonicContact OE1-NH1 2.76Å; E257-R260 PolarHBondContact OE1-NH1 2.78Å; A258-R260 VanDerWaalsContact C-N 3.32Å; A258-R260 PolarHBondContact O-N 3.47Å; R260-V262 VanDerWaalsContact C-N 3.27Å; R260-V262 PolarHBondContact O-N 3.4Å; R260-Y263 PolarHBondContact O-N 3.3Å; R260-E264 PolarHBondContact O-N 3.06Å; R260-E312 IonicContact CZ-OE1 3.2Å; R260-E312 IonicContact CZ-OE2 3.16Å; R260-E312 VanDerWaalsContact NE-CD 3.28Å; R260-E312 IonicContact NE-OE1 2.8Å; R260-E312 PolarHBondContact NE-OE1 3.47Å; R260-E312 IonicContact NE-OE2 3.6Å; R260-E312 PolarHBondContact NE-OE2 3.47Å; R260-E312 IonicContact NH2-OE1 2.83Å; R260-E312 PolarHBondContact NH2-OE1 3.16Å; R260-E312 IonicContact NH2-OE2 2.71Å; R260-E312 PolarHBondContact NH2-OE2 2.99Å; R260-Q355 VanDerWaalsContact CZ-NE2 3.34Å; R260-Q355 VanDerWaalsContact NH2-CD 3.25Å
261	R	82.9	Confident	78.3	Confident	106 Å²	106	57.7 Å²	57.7	40%	0.4	27%	0.272	S	S	.	.	H	α-helix	trans	-58	-40.4	176.1	-68.5	-174.5	-64.5	-90	4.1	111.9	E149 Y153 E257 A258 R265	E149-R261 IonicContact OE1-CZ 3.12Å; E149-R261 IonicContact OE1-NE 3.67Å; E149-R261 PolarHBondContact OE1-NE 3.41Å; E149-R261 IonicContact OE1-NH2 3.82Å; E149-R261 PolarHBondContact OE1-NH2 3.3Å; E149-R261 IonicContact OE2-CZ 2.74Å; E149-R261 IonicContact OE2-NE 3.61Å; E149-R261 IonicContact OE2-NH2 3.56Å; E149-R261 PolarHBondContact OE2-NH2 2.86Å; Y153-R261 WeakPolarHBondContact OH-CB 3.44Å; E257-R261 WeakPolarHBondContact O-CG 3.28Å; E257-R261 PolarHBondContact O-N 3.5Å; E257-R261 VanDerWaalsContact O-N 3.12Å; E257-R261 PolarHBondContact O-NH1 3.09Å; A258-R261 VanDerWaalsContact CA-NH2 3.35Å; A258-R261 PolarHBondContact O-N 3.48Å; R261-R265 PolarHBondContact O-N 3.2Å
262	V	83.5	Confident	79.4	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.03	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-46.1	176.6	162.5	0	0	0	0	112	E149 V152 Y153 F186 A258 V259 R260 R265 L266	E149-V262 HydrophobicContact CB-CG2 4.25Å; E149-V262 HydrophobicContact CG-CG2 4.05Å; V152-V262 HydrophobicContact CB-CG1 4.4Å; V152-V262 HydrophobicContact CB-CG2 4.29Å; V152-V262 HydrophobicContact CG1-CG1 3.88Å; V152-V262 HydrophobicContact CG1-CG2 4.32Å; V152-V262 HydrophobicContact CG2-CG1 4.31Å; Y153-V262 HydrophobicContact CE1-CG2 4.43Å; F186-V262 HydrophobicContact CE1-CB 4.44Å; F186-V262 HydrophobicContact CE1-CG1 4.37Å; F186-V262 HydrophobicContact CE1-CG2 4.05Å; F186-V262 HydrophobicContact CZ-CG1 4.03Å; A258-V262 WeakPolarHBondContact O-CB 3.25Å; A258-V262 WeakPolarHBondContact O-CG2 3.4Å; A258-V262 PolarHBondContact O-N 3.41Å; A258-V262 VanDerWaalsContact O-N 3.08Å; V259-V262 PolarHBondContact O-N 3.45Å; R260-V262 VanDerWaalsContact C-N 3.27Å; R260-V262 PolarHBondContact O-N 3.4Å; V262-R265 PolarHBondContact O-N 3.4Å; V262-L266 HydrophobicContact CG1-CD1 3.53Å; V262-L266 HydrophobicContact CG1-CG 4.18Å; V262-L266 WeakPolarHBondContact O-CB 3.38Å; V262-L266 VanDerWaalsContact O-CG 3.25Å; V262-L266 WeakPolarHBondContact O-CG 3.34Å; V262-L266 PolarHBondContact O-N 3.14Å
263	Y	84.3	Confident	80	Confident	7 Å²	7	54.8 Å²	54.8	3%	0.027	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-42.4	176.7	-84.5	-61	0	0	0	112.9	F176 V259 R260 R265 L266 L267 F276 I309 E312 N313	F176-Y263 WeakPolarHBondContact CE1-OH 3.36Å; V259-Y263 HydrophobicContact CG1-CD2 3.61Å; V259-Y263 HydrophobicContact CG1-CE2 3.46Å; V259-Y263 VanDerWaalsContact CG1-CE2 3.46Å; V259-Y263 VanDerWaalsContact O-CD2 3.31Å; V259-Y263 WeakPolarHBondContact O-CD2 3.23Å; V259-Y263 PolarHBondContact O-N 3.06Å; R260-Y263 PolarHBondContact O-N 3.3Å; Y263-R265 PolarHBondContact O-N 3.43Å; Y263-L266 PolarHBondContact O-N 3.48Å; Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.19Å; Y263-L267 HydrophobicContact CG-CD1 4.35Å; Y263-L267 VanDerWaalsContact O-CB 3.28Å; Y263-L267 WeakPolarHBondContact O-CB 3.24Å; Y263-L267 VanDerWaalsContact O-CG 3.24Å; Y263-L267 WeakPolarHBondContact O-CG 3.38Å; Y263-L267 PolarHBondContact O-N 3.33Å; Y263-F276 HydrophobicContact CD1-CZ 4.34Å; Y263-F276 HydrophobicContact CE1-CE1 4.05Å; Y263-F276 HydrophobicContact CE1-CE2 4.4Å; Y263-F276 AromaticContact CE1-CZ 3.91Å; Y263-F276 HydrophobicContact CE1-CZ 3.91Å; Y263-I309 WeakPolarHBondContact CE2-O 3.25Å; Y263-I309 PolarHBondContact OH-O 3.12Å; Y263-E312 HydrophobicContact CD2-CB 4.21Å; Y263-E312 HydrophobicContact CE2-CB 4.09Å; Y263-N313 HydrophobicContact CD1-CB 4.32Å; Y263-N313 HydrophobicContact CE1-CB 3.89Å; Y263-N313 HydrophobicContact CE2-CB 4.38Å
264	E	82.3	Confident	80.4	Confident	139 Å²	139	56.2 Å²	56.2	65%	0.65	27%	0.271	S	S	*	.	H	α-helix	trans	-54.8	-42.9	176.8	-172.5	177.6	-175.3	0	0	111.4	R260 S268	R260-E264 PolarHBondContact O-N 3.06Å; E264-S268 PolarHBondContact O-OG 3.25Å
265	R	77.4	Confident	80.6	Confident	153 Å²	153	56.8 Å²	56.8	58%	0.577	28%	0.276	S	S	*	.	H	α-helix	trans	-74.7	-35.6	178.3	-159.3	69.8	179	98	1.1	113.8	L156 R261 V262 Y263	L156-R265 HydrophobicContact CD1-CB 4.33Å; L156-R265 HydrophobicContact CD1-CG 3.8Å; R261-R265 PolarHBondContact O-N 3.2Å; V262-R265 PolarHBondContact O-N 3.4Å; Y263-R265 PolarHBondContact O-N 3.43Å
266	L	80.8	Confident	80.7	Confident	4 Å²	4	54.5 Å²	54.5	2%	0.021	26%	0.264	C	S	.	.	H	α-helix	trans	-80.1	-39	-177.2	-72.6	178.4	0	0	0	113.9	V152 L156 L168 I172 V262 Y263 S268 N269 I272 F276	V152-L266 HydrophobicContact CG1-CD1 4.13Å; V152-L266 HydrophobicContact CG1-CD2 4.13Å; V152-L266 HydrophobicContact CG1-CG 4.26Å; L156-L266 HydrophobicContact CD1-CD2 3.97Å; L156-L266 HydrophobicContact CD2-CD2 4.08Å; L156-L266 HydrophobicContact CG-CD2 4.19Å; L168-L266 HydrophobicContact CD1-CD2 4.29Å; L168-L266 HydrophobicContact CD2-CD2 3.77Å; L168-L266 HydrophobicContact CG-CD2 4.37Å; I172-L266 HydrophobicContact CD1-CD1 4.08Å; I172-L266 HydrophobicContact CD1-CD2 4.13Å; V262-L266 HydrophobicContact CG1-CD1 3.53Å; V262-L266 HydrophobicContact CG1-CG 4.18Å; V262-L266 WeakPolarHBondContact O-CB 3.38Å; V262-L266 VanDerWaalsContact O-CG 3.25Å; V262-L266 WeakPolarHBondContact O-CG 3.34Å; V262-L266 PolarHBondContact O-N 3.14Å; Y263-L266 PolarHBondContact O-N 3.48Å; L266-S268 PolarHBondContact O-N 2.98Å; L266-N269 PolarHBondContact O-N 2.89Å; L266-I272 HydrophobicContact CB-CG2 4.39Å; L266-I272 HydrophobicContact CD2-CD1 4.23Å; L266-F276 HydrophobicContact CB-CE2 4.26Å; L266-F276 HydrophobicContact CD1-CE2 4.27Å; L266-F276 HydrophobicContact CD1-CZ 3.85Å
267	L	77.7	Confident	80.9	Confident	31 Å²	31	54.8 Å²	54.8	16%	0.162	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.2	-177.8	-64.5	169.6	0	0	0	113	Y263 N269 F276 N313 N314 N315	Y263-L267 HydrophobicContact CD1-CD1 4.04Å; Y263-L267 HydrophobicContact CD1-CG 4.19Å; Y263-L267 HydrophobicContact CG-CD1 4.35Å; Y263-L267 VanDerWaalsContact O-CB 3.28Å; Y263-L267 WeakPolarHBondContact O-CB 3.24Å; Y263-L267 VanDerWaalsContact O-CG 3.24Å; Y263-L267 WeakPolarHBondContact O-CG 3.38Å; Y263-L267 PolarHBondContact O-N 3.33Å; L267-N269 PolarHBondContact O-N 3.27Å; L267-F276 HydrophobicContact CD2-CD2 4.43Å; L267-N313 VanDerWaalsContact CD1-OD1 3.24Å; L267-N313 WeakPolarHBondContact CD1-OD1 3.28Å; L267-N314 HydrophobicContact CD1-CB 4.15Å; L267-N315 HydrophobicContact CD1-CB 4.36Å; L267-N315 HydrophobicContact CD2-CB 4.25Å
268	S	76.3	Confident	81.1	Confident	95 Å²	95	54.6 Å²	54.6	66%	0.664	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	1.9	169.8	-63.8	0	0	0	0	114.3	E264 L266	E264-S268 PolarHBondContact O-OG 3.25Å; L266-S268 PolarHBondContact O-N 2.98Å
269	N	77.9	Confident	81.3	Confident	34 Å²	34	54.5 Å²	54.5	18%	0.182	27%	0.267	C	S	.	.			trans	-140.8	111.2	-174.4	-174.5	-21.5	0	0	0	112.4	Y165 L266 L267 K271 I272 E273	Y165-N269 WeakPolarHBondContact CD2-ND2 3.29Å; L266-N269 PolarHBondContact O-N 2.89Å; L267-N269 PolarHBondContact O-N 3.27Å; N269-K271 PolarHBondContact O-N 3.25Å; N269-K271 VanDerWaalsContact O-N 3.07Å; N269-K271 PolarHBondContact OD1-N 2.89Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å; N269-I272 HydrophobicContact CB-CD1 3.99Å; N269-I272 HydrophobicContact CB-CG1 4.11Å; N269-I272 WeakPolarHBondContact O-CB 3.17Å; N269-I272 PolarHBondContact O-N 3.01Å; N269-E273 PolarHBondContact O-N 2.74Å
270	E	76.5	Confident	81.4	Confident	166 Å²	166	54.8 Å²	54.8	78%	0.776	27%	0.268	S	S	*	.	H	α-helix	trans	-50.3	-34.2	-179.2	-60.7	173	177.3	0	0	114	I272 E273 A274	E270-I272 VanDerWaalsContact C-N 3.26Å; E270-I272 PolarHBondContact O-N 3.41Å; E270-E273 WeakPolarHBondContact O-CB 3.46Å; E270-E273 PolarHBondContact O-N 3.32Å; E270-A274 PolarHBondContact O-N 3.42Å; E270-A274 VanDerWaalsContact O-N 3.15Å
271	K	75.9	Confident	81.6	Confident	146 Å²	146	54.2 Å²	54.2	64%	0.635	27%	0.269	S	S	*	.	H	α-helix	trans	-70.2	-24.9	-179.7	-64.6	179.1	-178.1	170.5	0	112.8	I169 N269	I169-K271 HydrophobicContact CD1-CB 4.03Å; N269-K271 PolarHBondContact O-N 3.25Å; N269-K271 VanDerWaalsContact O-N 3.07Å; N269-K271 PolarHBondContact OD1-N 2.89Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å
272	I	79.4	Confident	81.9	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-83.1	-38.3	176.9	-58.2	-178.5	0	0	0	109.6	Y165 L168 I169 I172 L266 N269 E270 A274 A275 F276	Y165-I272 HydrophobicContact CD1-CD1 4.28Å; L168-I272 HydrophobicContact CD2-CD1 3.71Å; L168-I272 HydrophobicContact CG-CD1 4.45Å; I169-I272 HydrophobicContact CG1-CG1 4.37Å; I172-I272 HydrophobicContact CD1-CG2 3.59Å; L266-I272 HydrophobicContact CB-CG2 4.39Å; L266-I272 HydrophobicContact CD2-CD1 4.23Å; N269-I272 HydrophobicContact CB-CD1 3.99Å; N269-I272 HydrophobicContact CB-CG1 4.11Å; N269-I272 WeakPolarHBondContact O-CB 3.17Å; N269-I272 PolarHBondContact O-N 3.01Å; E270-I272 VanDerWaalsContact C-N 3.26Å; E270-I272 PolarHBondContact O-N 3.41Å; I272-A274 PolarHBondContact O-N 3.38Å; I272-A275 WeakPolarHBondContact O-CA 3.42Å; I272-A275 VanDerWaalsContact O-CB 3.32Å; I272-A275 WeakPolarHBondContact O-CB 3.36Å; I272-A275 PolarHBondContact O-N 3.04Å; I272-F276 HydrophobicContact CG2-CD2 3.89Å; I272-F276 HydrophobicContact CG2-CE2 3.58Å; I272-F276 WeakPolarHBondContact O-CD2 3.19Å; I272-F276 PolarHBondContact O-N 2.86Å
273	E	78.6	Confident	82.1	Confident	35 Å²	35	56.3 Å²	56.3	16%	0.164	28%	0.278	C	S	.	.	H	α-helix	trans	-55.2	-49.6	172.5	179.4	-178	177	0	0	112	N269 E270 A275 F276 L277 N315 S318 Y321	N269-E273 PolarHBondContact O-N 2.74Å; E270-E273 WeakPolarHBondContact O-CB 3.46Å; E270-E273 PolarHBondContact O-N 3.32Å; E273-A275 PolarHBondContact O-N 3.08Å; E273-F276 WeakPolarHBondContact O-CB 3.27Å; E273-F276 PolarHBondContact O-N 2.96Å; E273-F276 VanDerWaalsContact O-N 3.12Å; E273-L277 PolarHBondContact O-N 3.19Å; E273-N315 PolarHBondContact OE1-ND2 3.05Å; E273-N315 PolarHBondContact OE2-ND2 3.36Å; E273-N315 VanDerWaalsContact OE2-ND2 3.1Å; E273-S318 PolarHBondContact OE1-OG 3.16Å; E273-S318 VanDerWaalsContact OE1-OG 3.08Å; E273-Y321 HydrophobicContact CG-CE2 3.64Å; E273-Y321 PolarHBondContact O-OH 3.38Å
274	A	81.9	Confident	82.3	Confident	50 Å²	50	56.1 Å²	56.1	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-29.6	176.4	0	0	0	0	0	112.7	E270 I272 N278	E270-A274 PolarHBondContact O-N 3.42Å; E270-A274 VanDerWaalsContact O-N 3.15Å; I272-A274 PolarHBondContact O-N 3.38Å; A274-N278 PolarHBondContact O-N 3.34Å; A274-N278 PolarHBondContact O-ND2 3.01Å
275	A	83.5	Confident	82.5	Confident	13 Å²	13	52.1 Å²	52.1	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-40.9	175.8	0	0	0	0	0	112.1	I169 I272 E273 A279	I169-A275 HydrophobicContact CB-CB 4.41Å; I169-A275 HydrophobicContact CG1-CB 4.32Å; I169-A275 HydrophobicContact CG2-CB 3.85Å; I272-A275 WeakPolarHBondContact O-CA 3.42Å; I272-A275 VanDerWaalsContact O-CB 3.32Å; I272-A275 WeakPolarHBondContact O-CB 3.36Å; I272-A275 PolarHBondContact O-N 3.04Å; E273-A275 PolarHBondContact O-N 3.08Å; A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 3.42Å
276	F	84.1	Confident	83	Confident	2 Å²	2	49.1 Å²	49.1	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-47.2	173.7	-80	-63.7	0	0	0	112.1	I172 F176 Y263 L266 L267 I272 E273 N278 A279 L280 Y321	I172-F276 HydrophobicContact CD1-CE2 4.27Å; I172-F276 HydrophobicContact CD1-CZ 4.03Å; I172-F276 HydrophobicContact CG1-CZ 4.47Å; I172-F276 HydrophobicContact CG2-CD1 3.58Å; I172-F276 HydrophobicContact CG2-CD2 4.43Å; I172-F276 HydrophobicContact CG2-CE1 3.44Å; I172-F276 VanDerWaalsContact CG2-CE1 3.44Å; I172-F276 HydrophobicContact CG2-CE2 4.33Å; I172-F276 HydrophobicContact CG2-CG 4.09Å; I172-F276 HydrophobicContact CG2-CZ 3.85Å; F176-F276 AromaticContact CD1-CD1 3.92Å; F176-F276 HydrophobicContact CD1-CD1 3.92Å; F176-F276 AromaticContact CD1-CE1 3.99Å; F176-F276 HydrophobicContact CD1-CE1 3.99Å; F176-F276 HydrophobicContact CD2-CD1 4.28Å; F176-F276 AromaticContact CD2-CE1 3.82Å; F176-F276 HydrophobicContact CD2-CE1 3.82Å; F176-F276 HydrophobicContact CE1-CD1 4.08Å; F176-F276 AromaticContact CE1-CE1 3.78Å; F176-F276 HydrophobicContact CE1-CE1 3.78Å; F176-F276 HydrophobicContact CE2-CD1 4.43Å; F176-F276 AromaticContact CE2-CE1 3.61Å; F176-F276 HydrophobicContact CE2-CE1 3.61Å; F176-F276 HydrophobicContact CG-CD1 4.03Å; F176-F276 HydrophobicContact CG-CE1 4.02Å; F176-F276 HydrophobicContact CZ-CD1 4.34Å; F176-F276 AromaticContact CZ-CE1 3.6Å; F176-F276 HydrophobicContact CZ-CE1 3.6Å; Y263-F276 HydrophobicContact CD1-CZ 4.34Å; Y263-F276 HydrophobicContact CE1-CE1 4.05Å; Y263-F276 HydrophobicContact CE1-CE2 4.4Å; Y263-F276 AromaticContact CE1-CZ 3.91Å; Y263-F276 HydrophobicContact CE1-CZ 3.91Å; L266-F276 HydrophobicContact CB-CE2 4.26Å; L266-F276 HydrophobicContact CD1-CE2 4.27Å; L266-F276 HydrophobicContact CD1-CZ 3.85Å; L267-F276 HydrophobicContact CD2-CD2 4.43Å; I272-F276 HydrophobicContact CG2-CD2 3.89Å; I272-F276 HydrophobicContact CG2-CE2 3.58Å; I272-F276 WeakPolarHBondContact O-CD2 3.19Å; I272-F276 PolarHBondContact O-N 2.86Å; E273-F276 WeakPolarHBondContact O-CB 3.27Å; E273-F276 PolarHBondContact O-N 2.96Å; E273-F276 VanDerWaalsContact O-N 3.12Å; F276-N278 PolarHBondContact O-N 3.13Å; F276-A279 PolarHBondContact O-N 3.36Å; F276-A279 VanDerWaalsContact O-N 3.14Å; F276-L280 WeakPolarHBondContact O-CG 3.3Å; F276-L280 PolarHBondContact O-N 3.48Å; F276-Y321 VanDerWaalsContact CB-OH 3.28Å; F276-Y321 WeakPolarHBondContact CB-OH 3.34Å
277	L	85.4	Confident	83.3	Confident	21 Å²	21	49 Å²	49	11%	0.11	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-51.4	178.2	-178.4	154.4	0	0	0	111.2	E273 A279 L280 V281 E320 Y321 A325	E273-L277 PolarHBondContact O-N 3.19Å; L277-A279 VanDerWaalsContact C-N 3.31Å; L277-A279 PolarHBondContact O-N 2.62Å; L277-L280 PolarHBondContact O-N 3.18Å; L277-V281 HydrophobicContact CD2-CG2 4.42Å; L277-V281 WeakPolarHBondContact O-CG2 3.41Å; L277-V281 PolarHBondContact O-N 2.95Å; L277-V281 VanDerWaalsContact O-N 3.14Å; L277-E320 HydrophobicContact CD1-CB 3.47Å; L277-E320 VanDerWaalsContact CD1-CB 3.47Å; L277-Y321 HydrophobicContact CB-CD2 4.45Å; L277-Y321 HydrophobicContact CB-CE1 4.3Å; L277-Y321 HydrophobicContact CB-CE2 3.95Å; L277-Y321 HydrophobicContact CD1-CD2 3.84Å; L277-Y321 HydrophobicContact CD1-CE2 4.04Å; L277-Y321 HydrophobicContact CD1-CG 4.36Å; L277-Y321 HydrophobicContact CG-CD2 4.49Å; L277-Y321 HydrophobicContact CG-CE2 4.46Å; L277-Y321 PolarHBondContact N-OH 2.72Å; L277-A325 HydrophobicContact CG-CB 4.35Å
278	N	86.3	Confident	83.7	Confident	88 Å²	88	49.6 Å²	49.6	47%	0.471	26%	0.261	S	S	.	.	H	α-helix	trans	-60.6	-41.2	177.7	-78.9	-69.5	0	0	0	111.8	A274 F276 V281 Y282	A274-N278 PolarHBondContact O-N 3.34Å; A274-N278 PolarHBondContact O-ND2 3.01Å; F276-N278 PolarHBondContact O-N 3.13Å; N278-V281 PolarHBondContact O-N 3.16Å; N278-Y282 WeakPolarHBondContact O-CD2 3.49Å; N278-Y282 PolarHBondContact O-N 3.12Å; N278-Y282 VanDerWaalsContact O-N 3.13Å
279	A	85.5	Confident	84.1	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.017	25%	0.248	C	C	.	.	H	α-helix	trans	-63.7	-41.4	178.8	0	0	0	0	0	112.6	F176 S177 A275 F276 L277 V281 Y282 L283	F176-A279 HydrophobicContact CB-CB 3.58Å; S177-A279 WeakPolarHBondContact OG-CA 3.42Å; A275-A279 WeakPolarHBondContact O-CB 3.34Å; A275-A279 PolarHBondContact O-N 3.42Å; F276-A279 PolarHBondContact O-N 3.36Å; F276-A279 VanDerWaalsContact O-N 3.14Å; L277-A279 VanDerWaalsContact C-N 3.31Å; L277-A279 PolarHBondContact O-N 2.62Å; A279-V281 VanDerWaalsContact C-N 3.35Å; A279-V281 PolarHBondContact O-N 3.17Å; A279-Y282 PolarHBondContact O-N 2.93Å; A279-L283 VanDerWaalsContact O-CB 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.24Å; A279-L283 PolarHBondContact O-N 2.97Å
280	L	86.3	Confident	84.4	Confident	7 Å²	7	48.3 Å²	48.3	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-36.1	176.4	-69.5	177.7	0	0	0	112.8	F276 L277 Y282 L283 S284 V310 L316 Y321 A325	F276-L280 WeakPolarHBondContact O-CG 3.3Å; F276-L280 PolarHBondContact O-N 3.48Å; L277-L280 PolarHBondContact O-N 3.18Å; L280-Y282 VanDerWaalsContact C-N 3.34Å; L280-L283 HydrophobicContact CD2-CD2 4.24Å; L280-L283 PolarHBondContact O-N 3.09Å; L280-S284 WeakPolarHBondContact O-CB 3.31Å; L280-S284 PolarHBondContact O-N 3.46Å; L280-S284 PolarHBondContact O-OG 2.61Å; L280-V310 HydrophobicContact CD1-CG1 4.23Å; L280-V310 HydrophobicContact CD2-CB 4.38Å; L280-V310 HydrophobicContact CD2-CG1 3.74Å; L280-V310 HydrophobicContact CD2-CG2 3.65Å; L280-L316 HydrophobicContact CD1-CD2 4.43Å; L280-Y321 HydrophobicContact CD1-CD1 4.14Å; L280-Y321 HydrophobicContact CD1-CE1 3.81Å; L280-A325 HydrophobicContact CB-CB 4.16Å
281	V	87.9	Confident	84.8	Confident	33 Å²	33	40.9 Å²	40.9	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-65.9	-35.6	174.4	172.3	0	0	0	0	111.6	L277 N278 A279 P285 I324 A325 Q328	L277-V281 HydrophobicContact CD2-CG2 4.42Å; L277-V281 WeakPolarHBondContact O-CG2 3.41Å; L277-V281 PolarHBondContact O-N 2.95Å; L277-V281 VanDerWaalsContact O-N 3.14Å; N278-V281 PolarHBondContact O-N 3.16Å; A279-V281 VanDerWaalsContact C-N 3.35Å; A279-V281 PolarHBondContact O-N 3.17Å; V281-P285 WeakPolarHBondContact O-CD 3.38Å; V281-I324 HydrophobicContact CG2-CG2 3.71Å; V281-A325 HydrophobicContact CG2-CB 3.91Å; V281-Q328 PolarHBondContact O-OE1 2.77Å
282	Y	87.3	Confident	85.2	Confident	155 Å²	155	36.9 Å²	36.9	61%	0.608	20%	0.203	S	C	*	.	H	α-helix	trans	-76.3	-33.9	172.2	-73.6	-63.2	0	0	0	113.3	N278 A279 L280 N286	N278-Y282 WeakPolarHBondContact O-CD2 3.49Å; N278-Y282 PolarHBondContact O-N 3.12Å; N278-Y282 VanDerWaalsContact O-N 3.13Å; A279-Y282 PolarHBondContact O-N 2.93Å; L280-Y282 VanDerWaalsContact C-N 3.34Å; Y282-N286 PolarHBondContact O-ND2 3.32Å
283	L	88.4	Confident	85.3	Confident	1 Å²	1	45 Å²	45	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-69.8	-49.2	-178.5	-176.4	70.3	0	0	0	112.2	F176 A179 L182 A279 L280 N286 V287 L306	F176-L283 WeakPolarHBondContact O-CB 3.19Å; F176-L283 WeakPolarHBondContact O-CD2 3.42Å; A179-L283 HydrophobicContact CB-CD1 4.32Å; L182-L283 HydrophobicContact CD1-CD1 4.33Å; L182-L283 HydrophobicContact CD1-CD2 3.52Å; A279-L283 VanDerWaalsContact O-CB 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.24Å; A279-L283 PolarHBondContact O-N 2.97Å; L280-L283 HydrophobicContact CD2-CD2 4.24Å; L280-L283 PolarHBondContact O-N 3.09Å; L283-N286 WeakPolarHBondContact O-CB 3.46Å; L283-N286 PolarHBondContact O-N 3.4Å; L283-N286 VanDerWaalsContact O-N 3.08Å; L283-V287 HydrophobicContact CD1-CG2 3.93Å; L283-V287 HydrophobicContact CG-CG2 3.83Å; L283-V287 WeakPolarHBondContact O-CG2 3.43Å; L283-V287 PolarHBondContact O-N 2.89Å; L283-L306 HydrophobicContact CD1-CD1 4.13Å; L283-L306 HydrophobicContact CD2-CD1 4.13Å; L283-L306 HydrophobicContact CD2-CD2 4.12Å; L283-L306 HydrophobicContact CD2-CG 4.18Å; L283-L306 HydrophobicContact CG-CD1 4.43Å
284	S	88.6	Confident	85.2	Confident	2 Å²	2	48 Å²	48	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-44	-164.1	-56.5	0	0	0	0	114.1	L280 N286 V287 E288 F329 A332	L280-S284 WeakPolarHBondContact O-CB 3.31Å; L280-S284 PolarHBondContact O-N 3.46Å; L280-S284 PolarHBondContact O-OG 2.61Å; S284-N286 VanDerWaalsContact C-N 3.31Å; S284-N286 PolarHBondContact O-N 3.16Å; S284-V287 PolarHBondContact O-N 2.87Å; S284-E288 PolarHBondContact O-N 2.75Å; S284-F329 WeakPolarHBondContact OG-CA 3.47Å; S284-F329 PolarHBondContact OG-N 3.24Å; S284-A332 WeakPolarHBondContact O-CB 3.41Å
285	P	87.6	Confident	84.8	Confident	56 Å²	56	50.6 Å²	50.6	36%	0.364	26%	0.256	S	S	.	.	H	α-helix	trans	-64.9	-33.2	176.1	-22.1	35	0	0	0	113.3	V281 E288 C289	V281-P285 WeakPolarHBondContact O-CD 3.38Å; P285-E288 PolarHBondContact O-N 2.67Å; P285-C289 PolarHBondContact O-N 2.98Å; P285-C289 VanDerWaalsContact O-N 3.09Å; P285-C289 PolarHBondContact O-SG 3.1Å
286	N	86.6	Confident	84.5	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-67.9	-44.7	176.2	-66.5	-37.4	0	0	0	110.6	Y282 L283 S284 E288 C289 D290	Y282-N286 PolarHBondContact O-ND2 3.32Å; L283-N286 WeakPolarHBondContact O-CB 3.46Å; L283-N286 PolarHBondContact O-N 3.4Å; L283-N286 VanDerWaalsContact O-N 3.08Å; S284-N286 VanDerWaalsContact C-N 3.31Å; S284-N286 PolarHBondContact O-N 3.16Å; N286-E288 VanDerWaalsContact C-N 3.34Å; N286-E288 PolarHBondContact O-N 3.31Å; N286-C289 WeakPolarHBondContact O-CB 3.26Å; N286-C289 PolarHBondContact O-N 3.15Å; N286-C289 VanDerWaalsContact O-N 3.16Å; N286-D290 WeakPolarHBondContact O-CB 3.44Å; N286-D290 PolarHBondContact O-N 3.42Å
287	V	87.3	Confident	84.3	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62.7	-38.6	175.5	176.9	0	0	0	0	111.5	A179 L283 S284 C289 D290 L291 Y303 L306 F307 A332	A179-V287 HydrophobicContact CB-CG2 4.32Å; L283-V287 HydrophobicContact CD1-CG2 3.93Å; L283-V287 HydrophobicContact CG-CG2 3.83Å; L283-V287 WeakPolarHBondContact O-CG2 3.43Å; L283-V287 PolarHBondContact O-N 2.89Å; S284-V287 PolarHBondContact O-N 2.87Å; V287-C289 VanDerWaalsContact C-N 3.35Å; V287-C289 PolarHBondContact O-N 3.33Å; V287-D290 PolarHBondContact O-N 2.98Å; V287-L291 HydrophobicContact CG1-CD1 4.02Å; V287-L291 HydrophobicContact CG1-CG 4.45Å; V287-L291 WeakPolarHBondContact O-CB 3.46Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.5Å; V287-Y303 HydrophobicContact CG1-CE1 4.04Å; V287-L306 HydrophobicContact CG2-CD1 3.69Å; V287-L306 HydrophobicContact CG2-CD2 4.42Å; V287-F307 HydrophobicContact CG1-CE1 4.49Å; V287-F307 HydrophobicContact CG1-CE2 4.31Å; V287-F307 HydrophobicContact CG1-CZ 3.66Å; V287-A332 HydrophobicContact CB-CB 4.21Å; V287-A332 HydrophobicContact CG1-CB 4.05Å
288	E	86.6	Confident	83.7	Confident	45 Å²	45	56.5 Å²	56.5	21%	0.21	29%	0.292	C	S	.	.	H	α-helix	trans	-60.6	-43.6	173	-170.3	-178.9	-178.8	0	0	111.4	S284 P285 N286 T292 K331 A332 K335	S284-E288 PolarHBondContact O-N 2.75Å; P285-E288 PolarHBondContact O-N 2.67Å; N286-E288 VanDerWaalsContact C-N 3.34Å; N286-E288 PolarHBondContact O-N 3.31Å; E288-T292 WeakPolarHBondContact O-CB 3.43Å; E288-T292 PolarHBondContact O-N 2.97Å; E288-T292 PolarHBondContact O-OG1 3.27Å; E288-K331 WeakPolarHBondContact OE1-CE 3.38Å; E288-K331 VanDerWaalsContact OE2-CE 3.32Å; E288-K331 WeakPolarHBondContact OE2-CE 3.43Å; E288-A332 HydrophobicContact CB-CB 4.13Å; E288-K335 HydrophobicContact CG-CG 3.97Å; E288-K335 VanDerWaalsContact OE1-CE 3.28Å; E288-K335 WeakPolarHBondContact OE1-CE 3.43Å
289	C	85.1	Confident	83.2	Confident	59 Å²	59	61.9 Å²	61.9	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-44.1	177.8	-66.9	0	0	0	0	112.3	P285 N286 V287 T292 Y293	P285-C289 PolarHBondContact O-N 2.98Å; P285-C289 VanDerWaalsContact O-N 3.09Å; P285-C289 PolarHBondContact O-SG 3.1Å; N286-C289 WeakPolarHBondContact O-CB 3.26Å; N286-C289 PolarHBondContact O-N 3.15Å; N286-C289 VanDerWaalsContact O-N 3.16Å; V287-C289 VanDerWaalsContact C-N 3.35Å; V287-C289 PolarHBondContact O-N 3.33Å; C289-T292 PolarHBondContact O-N 3.12Å; C289-Y293 HydrophobicContact CB-CD2 4.38Å; C289-Y293 WeakPolarHBondContact O-CB 3.39Å; C289-Y293 PolarHBondContact O-N 3.41Å
290	D	84.6	Confident	82.7	Confident	43 Å²	43	64.2 Å²	64.2	23%	0.23	32%	0.318	C	S	.	.	I	π-helix	trans	-60.5	-45.6	178.7	-81	-17.6	0	0	0	112.2	N286 V287 H294 N295 V296 Y303	N286-D290 WeakPolarHBondContact O-CB 3.44Å; N286-D290 PolarHBondContact O-N 3.42Å; V287-D290 PolarHBondContact O-N 2.98Å; D290-H294 CarbonylContact O-C 3.25Å; D290-H294 WeakPolarHBondContact O-CA 3.45Å; D290-H294 WeakPolarHBondContact O-CB 3.21Å; D290-H294 PolarHBondContact O-N 3Å; D290-H294 VanDerWaalsContact O-N 3.07Å; D290-H294 IonicContact OD1-CD2 2.62Å; D290-N295 PolarHBondContact O-N 3.02Å; D290-V296 HydrophobicContact CB-CB 4.5Å; D290-V296 HydrophobicContact CB-CG2 3.77Å; D290-Y303 VanDerWaalsContact CB-OH 3.28Å; D290-Y303 WeakPolarHBondContact CB-OH 3.45Å; D290-Y303 PolarHBondContact OD2-OH 3.09Å; D290-Y303 VanDerWaalsContact OD2-OH 3.06Å
291	L	84.3	Confident	82.3	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.052	34%	0.34	C	S	.	.	I	π-helix	trans	-68.6	-41.1	176.7	-69.1	175.2	0	0	0	111.9	V287 Y303 F307 A332 K335 L336	V287-L291 HydrophobicContact CG1-CD1 4.02Å; V287-L291 HydrophobicContact CG1-CG 4.45Å; V287-L291 WeakPolarHBondContact O-CB 3.46Å; V287-L291 WeakPolarHBondContact O-CG 3.46Å; V287-L291 PolarHBondContact O-N 3.5Å; L291-Y303 HydrophobicContact CD2-CD1 4.04Å; L291-Y303 HydrophobicContact CD2-CE1 3.84Å; L291-Y303 HydrophobicContact CG-CE1 4.07Å; L291-F307 HydrophobicContact CD1-CZ 4Å; L291-A332 WeakPolarHBondContact CD1-O 3.4Å; L291-K335 HydrophobicContact CB-CB 4.13Å; L291-K335 HydrophobicContact CD1-CB 4.44Å; L291-L336 HydrophobicContact CD1-CD2 3.81Å; L291-L336 HydrophobicContact CD1-CG 4.15Å; L291-L336 HydrophobicContact CD2-CD2 4.02Å
292	T	83.5	Confident	81.9	Confident	61 Å²	61	68.2 Å²	68.2	37%	0.374	34%	0.343	S	S	.	.	I	π-helix	trans	-76.8	-36.3	-174.6	-54.9	0	0	0	0	113.6	E288 C289	E288-T292 WeakPolarHBondContact O-CB 3.43Å; E288-T292 PolarHBondContact O-N 2.97Å; E288-T292 PolarHBondContact O-OG1 3.27Å; C289-T292 PolarHBondContact O-N 3.12Å
293	Y	82.8	Confident	81.7	Confident	173 Å²	173	61.3 Å²	61.3	68%	0.678	32%	0.315	S	S	*	.	I	π-helix	trans	-118.3	-19	-170.2	-59.8	-64.5	0	0	0	115	C289	C289-Y293 HydrophobicContact CB-CD2 4.38Å; C289-Y293 WeakPolarHBondContact O-CB 3.39Å; C289-Y293 PolarHBondContact O-N 3.41Å
294	H	75.4	Confident	81.5	Confident	98 Å²	98	61.3 Å²	61.3	45%	0.454	32%	0.315	S	S	.	.	I	π-helix	trans	-115.2	-6.8	-172.2	-62.6	-35.8	0	0	0	114.2	D290 V296	D290-H294 CarbonylContact O-C 3.25Å; D290-H294 WeakPolarHBondContact O-CA 3.45Å; D290-H294 WeakPolarHBondContact O-CB 3.21Å; D290-H294 PolarHBondContact O-N 3Å; D290-H294 VanDerWaalsContact O-N 3.07Å; D290-H294 IonicContact OD1-CD2 2.62Å; H294-V296 HydrophobicContact CB-CG2 3.71Å; H294-V296 PolarHBondContact O-N 3.09Å
295	N	74.3	Confident	81.3	Confident	103 Å²	103	61.3 Å²	61.3	55%	0.551	32%	0.315	S	S	*	.			trans	48.7	41.9	-179.9	-74.1	-31.3	0	0	0	112	D290 Y297 S298	D290-N295 PolarHBondContact O-N 3.02Å; N295-Y297 VanDerWaalsContact C-N 3.27Å; N295-Y297 PolarHBondContact O-N 3.08Å; N295-S298 WeakPolarHBondContact O-CB 3.47Å; N295-S298 PolarHBondContact O-N 3.29Å
296	V	77.5	Confident	81.3	Confident	30 Å²	30	58.7 Å²	58.7	18%	0.182	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-61.6	-34.5	-169.3	-178.3	0	0	0	0	112.3	D290 H294 S298 R299 D300 Y303	D290-V296 HydrophobicContact CB-CB 4.5Å; D290-V296 HydrophobicContact CB-CG2 3.77Å; H294-V296 HydrophobicContact CB-CG2 3.71Å; H294-V296 PolarHBondContact O-N 3.09Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.48Å; V296-R299 WeakPolarHBondContact O-CA 3.29Å; V296-R299 WeakPolarHBondContact O-CB 3.23Å; V296-R299 PolarHBondContact O-N 3.36Å; V296-D300 PolarHBondContact O-N 3.42Å; V296-Y303 HydrophobicContact CB-CD2 4.33Å; V296-Y303 HydrophobicContact CB-CE2 4.19Å; V296-Y303 HydrophobicContact CG1-CD2 3.51Å; V296-Y303 HydrophobicContact CG1-CE2 3.58Å; V296-Y303 HydrophobicContact CG1-CG 4.21Å
297	Y	78.4	Confident	81.4	Confident	33 Å²	33	54.4 Å²	54.4	13%	0.129	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-59	-34.3	175.3	-177.3	-108.6	0	0	0	113.6	N295 R299 D300 L304 P337 A340	N295-Y297 VanDerWaalsContact C-N 3.27Å; N295-Y297 PolarHBondContact O-N 3.08Å; Y297-R299 PolarHBondContact O-N 2.84Å; Y297-D300 CarbonylContact O-C 3.51Å; Y297-L304 HydrophobicContact CD2-CG 4.31Å; Y297-L304 HydrophobicContact CE2-CD1 3.71Å; Y297-L304 HydrophobicContact CE2-CG 3.72Å; Y297-P337 HydrophobicContact CD1-CG 4.23Å; Y297-A340 HydrophobicContact CD1-CB 3.73Å; Y297-A340 HydrophobicContact CD2-CB 4.07Å; Y297-A340 HydrophobicContact CE1-CB 3.48Å; Y297-A340 VanDerWaalsContact CE1-CB 3.48Å; Y297-A340 HydrophobicContact CE2-CB 3.86Å; Y297-A340 HydrophobicContact CG-CB 4.01Å
298	S	73.8	Confident	81.4	Confident	98 Å²	98	54.5 Å²	54.5	69%	0.685	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12.7	174.6	-54.9	0	0	0	0	113.4	N295 V296	N295-S298 WeakPolarHBondContact O-CB 3.47Å; N295-S298 PolarHBondContact O-N 3.29Å; V296-S298 VanDerWaalsContact C-N 3.27Å; V296-S298 PolarHBondContact O-N 3.48Å
299	R	75.3	Confident	81.3	Confident	201 Å²	201	52.3 Å²	52.3	76%	0.758	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-40	179.5	-58.5	-178.9	-179.7	-177.7	1.2	112.4	V296 Y297	V296-R299 WeakPolarHBondContact O-CA 3.29Å; V296-R299 WeakPolarHBondContact O-CB 3.23Å; V296-R299 PolarHBondContact O-N 3.36Å; Y297-R299 PolarHBondContact O-N 2.84Å
300	D	76.3	Confident	81.5	Confident	51 Å²	51	49.6 Å²	49.6	27%	0.273	25%	0.247	S	C	.	.			trans	-134.1	107	174.2	-172.2	2.6	0	0	0	111.2	V296 Y297 N302 Y303	V296-D300 PolarHBondContact O-N 3.42Å; Y297-D300 CarbonylContact O-C 3.51Å; D300-N302 PolarHBondContact O-N 2.64Å; D300-N302 VanDerWaalsContact OD1-CB 3.27Å; D300-N302 WeakPolarHBondContact OD1-CB 3.28Å; D300-N302 PolarHBondContact OD1-N 3.12Å; D300-N302 PolarHBondContact OD1-ND2 3.29Å; D300-Y303 VanDerWaalsContact O-CB 3.29Å; D300-Y303 WeakPolarHBondContact O-CB 3.3Å; D300-Y303 PolarHBondContact O-N 3.29Å
301	P	76	Confident	81.7	Confident	76 Å²	76	47.7 Å²	47.7	49%	0.494	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-60.9	-19.4	173.5	-25.1	35.7	0	0	0	114.4	Y303	P301-Y303 PolarHBondContact O-N 3.24Å
302	N	80.2	Confident	81.9	Confident	47 Å²	47	47.3 Å²	47.3	25%	0.251	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.3	-3.8	174.3	-57.7	-84.1	0	0	0	112.6	V183 S253 D300 L304 N305	V183-N302 HydrophobicContact CG1-CB 3.91Å; S253-N302 PolarHBondContact OG-OD1 3.19Å; D300-N302 PolarHBondContact O-N 2.64Å; D300-N302 VanDerWaalsContact OD1-CB 3.27Å; D300-N302 WeakPolarHBondContact OD1-CB 3.28Å; D300-N302 PolarHBondContact OD1-N 3.12Å; D300-N302 PolarHBondContact OD1-ND2 3.29Å; N302-L304 PolarHBondContact O-N 2.73Å; N302-L304 VanDerWaalsContact O-N 3.11Å; N302-N305 WeakPolarHBondContact O-CB 3.32Å; N302-N305 PolarHBondContact O-N 2.68Å; N302-N305 PolarHBondContact O-OD1 3.21Å
303	Y	84	Confident	82	Confident	10 Å²	10	44.6 Å²	44.6	4%	0.039	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.2	-23.9	175	-156.7	-100.1	0	0	0	112.8	A179 V183 V287 D290 L291 V296 D300 P301 N305 L306 F307	A179-Y303 HydrophobicContact CB-CE2 4.03Å; V183-Y303 HydrophobicContact CG2-CD2 4.02Å; V183-Y303 HydrophobicContact CG2-CG 4.49Å; V287-Y303 HydrophobicContact CG1-CE1 4.04Å; D290-Y303 VanDerWaalsContact CB-OH 3.28Å; D290-Y303 WeakPolarHBondContact CB-OH 3.45Å; D290-Y303 PolarHBondContact OD2-OH 3.09Å; D290-Y303 VanDerWaalsContact OD2-OH 3.06Å; L291-Y303 HydrophobicContact CD2-CD1 4.04Å; L291-Y303 HydrophobicContact CD2-CE1 3.84Å; L291-Y303 HydrophobicContact CG-CE1 4.07Å; V296-Y303 HydrophobicContact CB-CD2 4.33Å; V296-Y303 HydrophobicContact CB-CE2 4.19Å; V296-Y303 HydrophobicContact CG1-CD2 3.51Å; V296-Y303 HydrophobicContact CG1-CE2 3.58Å; V296-Y303 HydrophobicContact CG1-CG 4.21Å; D300-Y303 VanDerWaalsContact O-CB 3.29Å; D300-Y303 WeakPolarHBondContact O-CB 3.3Å; D300-Y303 PolarHBondContact O-N 3.29Å; P301-Y303 PolarHBondContact O-N 3.24Å; Y303-N305 VanDerWaalsContact C-N 3.26Å; Y303-N305 PolarHBondContact O-N 3.13Å; Y303-L306 PolarHBondContact O-N 3.04Å; Y303-F307 HydrophobicContact CD1-CE2 4.36Å; Y303-F307 HydrophobicContact CE1-CE2 4.42Å
304	L	84.3	Confident	82	Confident	1 Å²	1	40 Å²	40	1%	0.005	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64.4	-24.1	172.4	-75.5	173.2	0	0	0	114.2	Y297 N302 L306 F307 V308 L336 A340 K343 L344	Y297-L304 HydrophobicContact CD2-CG 4.31Å; Y297-L304 HydrophobicContact CE2-CD1 3.71Å; Y297-L304 HydrophobicContact CE2-CG 3.72Å; N302-L304 PolarHBondContact O-N 2.73Å; N302-L304 VanDerWaalsContact O-N 3.11Å; L304-L306 PolarHBondContact O-N 3Å; L304-L306 VanDerWaalsContact O-N 3.13Å; L304-F307 HydrophobicContact CD2-CD2 4.48Å; L304-F307 PolarHBondContact O-N 3.25Å; L304-V308 PolarHBondContact O-N 2.86Å; L304-L336 HydrophobicContact CD2-CD1 4.35Å; L304-L336 HydrophobicContact CD2-CD2 4.31Å; L304-A340 HydrophobicContact CD2-CB 4.16Å; L304-K343 HydrophobicContact CD1-CB 3.96Å; L304-K343 HydrophobicContact CD1-CD 4.15Å; L304-K343 HydrophobicContact CD1-CG 3.93Å; L304-L344 HydrophobicContact CD2-CB 4.31Å; L304-L344 HydrophobicContact CD2-CD2 4.49Å
305	N	84.6	Confident	82.4	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.011	19%	0.192	C	C	.	.	H	α-helix	trans	-53.1	-36.8	178.5	-66.9	11.6	0	0	0	111.8	V183 V252 S253 V254 N302 Y303 V308 I309	V183-N305 PolarHBondContact O-ND2 3.34Å; V183-N305 VanDerWaalsContact O-ND2 3.17Å; V252-N305 WeakPolarHBondContact CG1-OD1 3.35Å; S253-N305 PolarHBondContact OG-ND2 2.93Å; V254-N305 HydrophobicContact CG2-CB 3.55Å; N302-N305 WeakPolarHBondContact O-CB 3.32Å; N302-N305 PolarHBondContact O-N 2.68Å; N302-N305 PolarHBondContact O-OD1 3.21Å; Y303-N305 VanDerWaalsContact C-N 3.26Å; Y303-N305 PolarHBondContact O-N 3.13Å; N305-V308 PolarHBondContact O-N 3.13Å; N305-I309 WeakPolarHBondContact O-CB 3.49Å; N305-I309 WeakPolarHBondContact O-CD1 3.04Å; N305-I309 VanDerWaalsContact O-CG1 3.24Å; N305-I309 WeakPolarHBondContact O-CG1 3.5Å; N305-I309 PolarHBondContact O-N 3.38Å
306	L	86.9	Confident	82.8	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-48.8	177.1	-178	157.3	0	0	0	111.7	A179 L182 V183 L283 V287 Y303 L304 I309 V310 F329	A179-L306 HydrophobicContact CB-CD1 3.91Å; L182-L306 HydrophobicContact CB-CB 4.37Å; L182-L306 HydrophobicContact CB-CG 4.3Å; L182-L306 HydrophobicContact CD1-CD1 4.31Å; L182-L306 HydrophobicContact CD1-CG 3.96Å; V183-L306 HydrophobicContact CG2-CB 4.45Å; L283-L306 HydrophobicContact CD1-CD1 4.13Å; L283-L306 HydrophobicContact CD2-CD1 4.13Å; L283-L306 HydrophobicContact CD2-CD2 4.12Å; L283-L306 HydrophobicContact CD2-CG 4.18Å; L283-L306 HydrophobicContact CG-CD1 4.43Å; V287-L306 HydrophobicContact CG2-CD1 3.69Å; V287-L306 HydrophobicContact CG2-CD2 4.42Å; Y303-L306 PolarHBondContact O-N 3.04Å; L304-L306 PolarHBondContact O-N 3Å; L304-L306 VanDerWaalsContact O-N 3.13Å; L306-I309 PolarHBondContact O-N 3.36Å; L306-V310 WeakPolarHBondContact O-CG2 3.28Å; L306-V310 PolarHBondContact O-N 2.9Å; L306-F329 HydrophobicContact CD2-CE2 4.12Å
307	F	88.4	Confident	82.9	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-37.4	-178.3	-64.7	-84.8	0	0	0	111.7	V287 L291 Y303 L304 M311 F329 M333 L336 L344	V287-F307 HydrophobicContact CG1-CE1 4.49Å; V287-F307 HydrophobicContact CG1-CE2 4.31Å; V287-F307 HydrophobicContact CG1-CZ 3.66Å; L291-F307 HydrophobicContact CD1-CZ 4Å; Y303-F307 HydrophobicContact CD1-CE2 4.36Å; Y303-F307 HydrophobicContact CE1-CE2 4.42Å; L304-F307 HydrophobicContact CD2-CD2 4.48Å; L304-F307 PolarHBondContact O-N 3.25Å; F307-M311 WeakPolarHBondContact O-CB 3.36Å; F307-M311 VanDerWaalsContact O-CG 3.28Å; F307-M311 WeakPolarHBondContact O-CG 3.26Å; F307-M311 PolarHBondContact O-N 3.22Å; F307-F329 HydrophobicContact CD1-CE1 4.41Å; F307-F329 AromaticContact CD1-CE2 3.88Å; F307-F329 HydrophobicContact CD1-CE2 3.88Å; F307-F329 AromaticContact CD1-CZ 3.59Å; F307-F329 HydrophobicContact CD1-CZ 3.59Å; F307-F329 HydrophobicContact CE1-CE2 4.16Å; F307-F329 HydrophobicContact CE1-CZ 4.25Å; F307-F329 HydrophobicContact CG-CZ 4.44Å; F307-M333 HydrophobicContact CD1-CB 3.93Å; F307-M333 HydrophobicContact CD1-CG 3.86Å; F307-M333 HydrophobicContact CD1-SD 4.21Å; F307-M333 HydrophobicContact CE1-CB 3.63Å; F307-M333 HydrophobicContact CE1-CG 4Å; F307-L336 HydrophobicContact CD1-CD1 4.36Å; F307-L336 HydrophobicContact CD2-CD1 4.28Å; F307-L336 HydrophobicContact CD2-CD2 4.35Å; F307-L336 HydrophobicContact CE1-CD1 4.32Å; F307-L336 HydrophobicContact CE2-CD1 4.22Å; F307-L336 HydrophobicContact CE2-CD2 3.75Å; F307-L336 HydrophobicContact CE2-CG 4.3Å; F307-L336 HydrophobicContact CG-CD1 4.35Å; F307-L336 HydrophobicContact CZ-CD1 4.23Å; F307-L336 HydrophobicContact CZ-CD2 4.07Å; F307-L336 HydrophobicContact CZ-CG 4.2Å; F307-L344 HydrophobicContact CB-CD2 4.4Å
308	V	86.7	Confident	83.2	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	18%	0.177	C	C	.	.	H	α-helix	trans	-62.9	-52.1	173.9	-178.9	0	0	0	0	110.7	V252 I256 L304 N305 V310 M311 E312 L344 L347	V252-V308 HydrophobicContact CG1-CG2 4.5Å; I256-V308 HydrophobicContact CG1-CG1 4.14Å; L304-V308 PolarHBondContact O-N 2.86Å; N305-V308 PolarHBondContact O-N 3.13Å; V308-V310 VanDerWaalsContact C-N 3.31Å; V308-V310 PolarHBondContact O-N 3.18Å; V308-M311 PolarHBondContact O-N 3.26Å; V308-E312 PolarHBondContact O-N 2.88Å; V308-L344 HydrophobicContact CG2-CD1 3.94Å; V308-L347 HydrophobicContact CB-CD2 4.48Å; V308-L347 HydrophobicContact CG1-CD2 4.17Å; V308-L347 HydrophobicContact CG2-CD2 3.42Å; V308-L347 VanDerWaalsContact CG2-CD2 3.42Å
309	I	85.9	Confident	83.7	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62	-37	-178.2	-66.8	162	0	0	0	111.7	F176 L182 F186 V254 V259 Y263 N305 L306	F176-I309 HydrophobicContact CE1-CG2 4.02Å; F176-I309 HydrophobicContact CZ-CG2 3.88Å; L182-I309 HydrophobicContact CD2-CG2 4.05Å; L182-I309 WeakPolarHBondContact O-CD1 3.48Å; F186-I309 HydrophobicContact CD2-CD1 4.24Å; F186-I309 HydrophobicContact CD2-CG1 4.5Å; V254-I309 HydrophobicContact CG1-CG1 4.15Å; V254-I309 HydrophobicContact CG2-CD1 4.34Å; V254-I309 HydrophobicContact CG2-CG1 4.47Å; V259-I309 HydrophobicContact CG2-CG1 4.21Å; Y263-I309 WeakPolarHBondContact CE2-O 3.25Å; Y263-I309 PolarHBondContact OH-O 3.12Å; N305-I309 WeakPolarHBondContact O-CB 3.49Å; N305-I309 WeakPolarHBondContact O-CD1 3.04Å; N305-I309 VanDerWaalsContact O-CG1 3.24Å; N305-I309 WeakPolarHBondContact O-CG1 3.5Å; N305-I309 PolarHBondContact O-N 3.38Å; L306-I309 PolarHBondContact O-N 3.36Å
310	V	87.7	Confident	84.2	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-72.3	-43.8	177.6	175.3	0	0	0	0	111.6	L280 L306 V308 E312 N313 F329	L280-V310 HydrophobicContact CD1-CG1 4.23Å; L280-V310 HydrophobicContact CD2-CB 4.38Å; L280-V310 HydrophobicContact CD2-CG1 3.74Å; L280-V310 HydrophobicContact CD2-CG2 3.65Å; L306-V310 WeakPolarHBondContact O-CG2 3.28Å; L306-V310 PolarHBondContact O-N 2.9Å; V308-V310 VanDerWaalsContact C-N 3.31Å; V308-V310 PolarHBondContact O-N 3.18Å; V310-E312 PolarHBondContact O-N 2.99Å; V310-N313 WeakPolarHBondContact O-CB 3.39Å; V310-N313 PolarHBondContact O-N 3.21Å; V310-N313 VanDerWaalsContact O-N 3.15Å; V310-F329 HydrophobicContact CB-CE2 3.72Å; V310-F329 HydrophobicContact CB-CZ 3.72Å; V310-F329 HydrophobicContact CG1-CD1 4.38Å; V310-F329 HydrophobicContact CG1-CD2 3.95Å; V310-F329 HydrophobicContact CG1-CE1 4.04Å; V310-F329 HydrophobicContact CG1-CE2 3.57Å; V310-F329 HydrophobicContact CG1-CG 4.34Å; V310-F329 HydrophobicContact CG1-CZ 3.61Å; V310-F329 HydrophobicContact CG2-CE2 4.01Å; V310-F329 HydrophobicContact CG2-CZ 4.49Å
311	M	89.6	Confident	84.7	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-69.7	-12.9	-178.7	-71.5	-57.1	-56.8	0	0	114.5	F307 V308 N313 L316 F329 W348 R358 M359 F363	F307-M311 WeakPolarHBondContact O-CB 3.36Å; F307-M311 VanDerWaalsContact O-CG 3.28Å; F307-M311 WeakPolarHBondContact O-CG 3.26Å; F307-M311 PolarHBondContact O-N 3.22Å; V308-M311 PolarHBondContact O-N 3.26Å; M311-N313 VanDerWaalsContact C-N 3.31Å; M311-L316 HydrophobicContact CE-CD1 4.48Å; M311-L316 HydrophobicContact SD-CD1 4.2Å; M311-F329 HydrophobicContact CG-CE1 4.18Å; M311-F329 HydrophobicContact CG-CZ 4.44Å; M311-F329 HydrophobicContact SD-CE1 3.74Å; M311-W348 HydrophobicContact CB-CZ2 4.35Å; M311-W348 HydrophobicContact CG-CH2 4.37Å; M311-W348 HydrophobicContact CG-CZ2 4.05Å; M311-R358 PolarHBondContact O-NH2 3.02Å; M311-M359 HydrophobicContact CB-CE 4.28Å; M311-M359 HydrophobicContact CE-CB 4.23Å; M311-M359 HydrophobicContact CE-CE 3.89Å; M311-M359 HydrophobicContact CE-CG 3.92Å; M311-M359 HydrophobicContact CG-CE 4.44Å; M311-F363 HydrophobicContact CE-CE1 4.44Å; M311-F363 HydrophobicContact CE-CE2 3.7Å; M311-F363 HydrophobicContact CE-CZ 3.55Å; M311-F363 HydrophobicContact SD-CE1 4.45Å; M311-F363 HydrophobicContact SD-CE2 4.49Å; M311-F363 HydrophobicContact SD-CZ 3.76Å
312	E	88.8	Confident	85.2	Confident	2 Å²	2	23.3 Å²	23.3	1%	0.009	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-8.6	171.6	-72.3	-57.6	162.1	0	0	114.7	I256 V259 R260 Y263 V308 V310 N314 Y351 R358	I256-E312 HydrophobicContact CG2-CG 4.11Å; I256-E312 WeakPolarHBondContact CG2-OE1 3.4Å; V259-E312 HydrophobicContact CG1-CB 3.76Å; V259-E312 HydrophobicContact CG1-CG 4.26Å; R260-E312 IonicContact CZ-OE1 3.2Å; R260-E312 IonicContact CZ-OE2 3.16Å; R260-E312 VanDerWaalsContact NE-CD 3.28Å; R260-E312 IonicContact NE-OE1 2.8Å; R260-E312 PolarHBondContact NE-OE1 3.47Å; R260-E312 IonicContact NE-OE2 3.6Å; R260-E312 PolarHBondContact NE-OE2 3.47Å; R260-E312 IonicContact NH2-OE1 2.83Å; R260-E312 PolarHBondContact NH2-OE1 3.16Å; R260-E312 IonicContact NH2-OE2 2.71Å; R260-E312 PolarHBondContact NH2-OE2 2.99Å; Y263-E312 HydrophobicContact CD2-CB 4.21Å; Y263-E312 HydrophobicContact CE2-CB 4.09Å; V308-E312 PolarHBondContact O-N 2.88Å; V310-E312 PolarHBondContact O-N 2.99Å; E312-N314 PolarHBondContact O-N 3.34Å; E312-Y351 WeakPolarHBondContact OE1-CE2 3.32Å; E312-Y351 PolarHBondContact OE1-OH 2.84Å; E312-Y351 VanDerWaalsContact OE1-OH 3.14Å; E312-R358 PolarHBondContact O-NH1 2.74Å; E312-R358 VanDerWaalsContact O-NH1 3.09Å; E312-R358 IonicContact OE1-NH2 3.7Å; E312-R358 IonicContact OE2-CZ 3.27Å; E312-R358 IonicContact OE2-NH1 2.76Å; E312-R358 PolarHBondContact OE2-NH1 3.49Å; E312-R358 IonicContact OE2-NH2 2.74Å; E312-R358 PolarHBondContact OE2-NH2 3.43Å
313	N	86.1	Confident	85.5	Confident	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.136	C	C	.	.			trans	-65.5	116.1	174.5	177.5	4.8	0	0	0	110.9	Y263 L267 V310 M311 N315 L316	Y263-N313 HydrophobicContact CD1-CB 4.32Å; Y263-N313 HydrophobicContact CE1-CB 3.89Å; Y263-N313 HydrophobicContact CE2-CB 4.38Å; L267-N313 VanDerWaalsContact CD1-OD1 3.24Å; L267-N313 WeakPolarHBondContact CD1-OD1 3.28Å; V310-N313 WeakPolarHBondContact O-CB 3.39Å; V310-N313 PolarHBondContact O-N 3.21Å; V310-N313 VanDerWaalsContact O-N 3.15Å; M311-N313 VanDerWaalsContact C-N 3.31Å; N313-N315 PolarHBondContact O-N 3.38Å; N313-N315 PolarHBondContact OD1-N 2.64Å; N313-L316 HydrophobicContact CB-CD1 4.34Å; N313-L316 HydrophobicContact CB-CD2 4.2Å; N313-L316 HydrophobicContact CB-CG 3.93Å; N313-L316 WeakPolarHBondContact O-CG 3.21Å
314	N	82.7	Confident	85.6	Confident	78 Å²	78	29.9 Å²	29.9	42%	0.417	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.6	179.7	-76.5	-31.5	0	0	0	114.1	L267 E312 H317 R358	L267-N314 HydrophobicContact CD1-CB 4.15Å; E312-N314 PolarHBondContact O-N 3.34Å; N314-H317 PolarHBondContact O-CE1 2.92Å; N314-H317 PolarHBondContact O-ND1 2.8Å; N314-R358 PolarHBondContact OD1-NH1 3.08Å
315	N	83.6	Confident	85.7	Confident	31 Å²	31	29.9 Å²	29.9	17%	0.166	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	19.2	-171.2	-155.3	14.6	0	0	0	114	L267 E273 N313 H317 S318	L267-N315 HydrophobicContact CD1-CB 4.36Å; L267-N315 HydrophobicContact CD2-CB 4.25Å; E273-N315 PolarHBondContact OE1-ND2 3.05Å; E273-N315 PolarHBondContact OE2-ND2 3.36Å; E273-N315 VanDerWaalsContact OE2-ND2 3.1Å; N313-N315 PolarHBondContact O-N 3.38Å; N313-N315 PolarHBondContact OD1-N 2.64Å; N315-H317 PolarHBondContact O-N 3.33Å; N315-H317 VanDerWaalsContact O-N 3.11Å; N315-S318 PolarHBondContact O-N 2.66Å; N315-S318 PolarHBondContact O-OG 3.05Å
316	L	82.8	Confident	86.1	Confident	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.6	175.8	-67.2	174.5	0	0	0	114	L280 M311 N313 Y321 T362	L280-L316 HydrophobicContact CD1-CD2 4.43Å; M311-L316 HydrophobicContact CE-CD1 4.48Å; M311-L316 HydrophobicContact SD-CD1 4.2Å; N313-L316 HydrophobicContact CB-CD1 4.34Å; N313-L316 HydrophobicContact CB-CD2 4.2Å; N313-L316 HydrophobicContact CB-CG 3.93Å; N313-L316 WeakPolarHBondContact O-CG 3.21Å; L316-Y321 HydrophobicContact CD2-CD1 3.78Å; L316-Y321 HydrophobicContact CD2-CE1 4.17Å; L316-T362 HydrophobicContact CB-CG2 3.7Å; L316-T362 HydrophobicContact CD1-CG2 4.39Å
317	H	79.3	Confident	86.3	Confident	97 Å²	97	30.7 Å²	30.7	45%	0.449	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7.7	177.9	65.6	-91.2	0	0	0	113.9	N314 N315 Q365	N314-H317 PolarHBondContact O-CE1 2.92Å; N314-H317 PolarHBondContact O-ND1 2.8Å; N315-H317 PolarHBondContact O-N 3.33Å; N315-H317 VanDerWaalsContact O-N 3.11Å; H317-Q365 VanDerWaalsContact CB-OE1 3.25Å
318	S	85.4	Confident	86.4	Confident	12 Å²	12	33.7 Å²	33.7	8%	0.084	17%	0.173	C	C	.	.	S	Bend	trans	-68.5	143.3	178.3	62.7	0	0	0	0	111.3	E273 N315 E320 Y321 L322	E273-S318 PolarHBondContact OE1-OG 3.16Å; E273-S318 VanDerWaalsContact OE1-OG 3.08Å; N315-S318 PolarHBondContact O-N 2.66Å; N315-S318 PolarHBondContact O-OG 3.05Å; S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.1Å; S318-Y321 PolarHBondContact O-N 3.46Å; S318-Y321 WeakPolarHBondContact OG-CD2 3.44Å; S318-L322 PolarHBondContact O-N 3.01Å; S318-L322 VanDerWaalsContact O-N 3.12Å
319	P	83.9	Confident	86.6	Confident	80 Å²	80	33.8 Å²	33.8	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-53.2	-36.4	-172.8	-28.6	35.9	0	0	0	114.1	Y321 L322 E323	P319-Y321 VanDerWaalsContact C-N 3.33Å; P319-Y321 PolarHBondContact O-N 3.07Å; P319-L322 PolarHBondContact O-N 2.75Å; P319-E323 WeakPolarHBondContact O-CB 3.45Å; P319-E323 PolarHBondContact O-N 3.43Å
320	E	85.8	Confident	87	Confident	103 Å²	103	33.8 Å²	33.8	48%	0.481	17%	0.174	S	C	.	.	H	α-helix	trans	-64	-37.2	-179.9	-61.5	75.5	-170.8	0	0	111.9	L277 S318 I324	L277-E320 HydrophobicContact CD1-CB 3.47Å; L277-E320 VanDerWaalsContact CD1-CB 3.47Å; S318-E320 PolarHBondContact O-N 3.23Å; S318-E320 VanDerWaalsContact O-N 3.1Å; E320-I324 PolarHBondContact O-N 2.95Å
321	Y	86.6	Confident	87.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-73.6	-43.9	174.2	-77.8	-109.3	0	0	0	111.2	E273 F276 L277 L280 L316 S318 P319 E323 A325 L326	E273-Y321 HydrophobicContact CG-CE2 3.64Å; E273-Y321 PolarHBondContact O-OH 3.38Å; F276-Y321 VanDerWaalsContact CB-OH 3.28Å; F276-Y321 WeakPolarHBondContact CB-OH 3.34Å; L277-Y321 HydrophobicContact CB-CD2 4.45Å; L277-Y321 HydrophobicContact CB-CE1 4.3Å; L277-Y321 HydrophobicContact CB-CE2 3.95Å; L277-Y321 HydrophobicContact CD1-CD2 3.84Å; L277-Y321 HydrophobicContact CD1-CE2 4.04Å; L277-Y321 HydrophobicContact CD1-CG 4.36Å; L277-Y321 HydrophobicContact CG-CD2 4.49Å; L277-Y321 HydrophobicContact CG-CE2 4.46Å; L277-Y321 PolarHBondContact N-OH 2.72Å; L280-Y321 HydrophobicContact CD1-CD1 4.14Å; L280-Y321 HydrophobicContact CD1-CE1 3.81Å; L316-Y321 HydrophobicContact CD2-CD1 3.78Å; L316-Y321 HydrophobicContact CD2-CE1 4.17Å; S318-Y321 PolarHBondContact O-N 3.46Å; S318-Y321 WeakPolarHBondContact OG-CD2 3.44Å; P319-Y321 VanDerWaalsContact C-N 3.33Å; P319-Y321 PolarHBondContact O-N 3.07Å; Y321-E323 VanDerWaalsContact C-N 3.3Å; Y321-E323 PolarHBondContact O-N 3.22Å; Y321-A325 HydrophobicContact CD1-CB 4.32Å; Y321-A325 PolarHBondContact O-N 3.39Å; Y321-A325 VanDerWaalsContact O-N 3.11Å; Y321-L326 WeakPolarHBondContact O-CB 3.4Å; Y321-L326 PolarHBondContact O-N 3.24Å
322	L	86.2	Confident	87.1	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.063	19%	0.185	C	C	.	.	I	π-helix	trans	-62	-35.8	178.3	-63.1	-178	0	0	0	112.4	S318 P319 L326 P327 Q365 L366 F369	S318-L322 PolarHBondContact O-N 3.01Å; S318-L322 VanDerWaalsContact O-N 3.12Å; P319-L322 PolarHBondContact O-N 2.75Å; L322-L326 HydrophobicContact CD2-CD2 3.64Å; L322-P327 WeakPolarHBondContact O-CD 3.48Å; L322-P327 VanDerWaalsContact O-CG 3.32Å; L322-P327 WeakPolarHBondContact O-CG 3.22Å; L322-Q365 HydrophobicContact CD1-CB 4.19Å; L322-Q365 HydrophobicContact CD2-CB 4.49Å; L322-L366 HydrophobicContact CD2-CB 4.18Å; L322-L366 WeakPolarHBondContact O-CD1 3.27Å; L322-F369 HydrophobicContact CB-CD1 4.37Å
323	E	85.9	Confident	87.2	Confident	116 Å²	116	36.5 Å²	36.5	54%	0.542	19%	0.185	S	C	.	.	I	π-helix	trans	-74.4	-46.9	-179.4	-173.3	177.4	-179.1	0	0	112.4	P319 Y321 F369 K370	P319-E323 WeakPolarHBondContact O-CB 3.45Å; P319-E323 PolarHBondContact O-N 3.43Å; Y321-E323 VanDerWaalsContact C-N 3.3Å; Y321-E323 PolarHBondContact O-N 3.22Å; E323-F369 HydrophobicContact CB-CE1 4.05Å; E323-F369 HydrophobicContact CB-CZ 4.26Å; E323-F369 HydrophobicContact CG-CE1 4.37Å; E323-K370 PolarHBondContact O-NZ 3.09Å; E323-K370 VanDerWaalsContact O-NZ 3.07Å
324	I	86.1	Confident	87.4	Confident	79 Å²	79	37.6 Å²	37.6	41%	0.405	19%	0.193	S	C	.	.	I	π-helix	trans	-112.2	-55.2	-163.5	-46.7	179.1	0	0	0	113.4	V281 E320	V281-I324 HydrophobicContact CG2-CG2 3.71Å; E320-I324 PolarHBondContact O-N 2.95Å
325	A	88	Confident	87.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.192	C	C	.	.	I	π-helix	trans	-86.8	-50.2	-166.3	0	0	0	0	0	113.4	L277 L280 V281 Y321 P327 Q328 F329	L277-A325 HydrophobicContact CG-CB 4.35Å; L280-A325 HydrophobicContact CB-CB 4.16Å; V281-A325 HydrophobicContact CG2-CB 3.91Å; Y321-A325 HydrophobicContact CD1-CB 4.32Å; Y321-A325 PolarHBondContact O-N 3.39Å; Y321-A325 VanDerWaalsContact O-N 3.11Å; A325-P327 VanDerWaalsContact C-CD 3.48Å; A325-Q328 PolarHBondContact O-N 3.25Å; A325-F329 PolarHBondContact O-N 3.14Å
326	L	90.9	Very high	88	Confident	3 Å²	3	37.1 Å²	37.1	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-62	-37.2	-176.1	-168.3	68.6	0	0	0	113.6	Y321 L322 Q328 F329 C330 T362 L366	Y321-L326 WeakPolarHBondContact O-CB 3.4Å; Y321-L326 PolarHBondContact O-N 3.24Å; L322-L326 HydrophobicContact CD2-CD2 3.64Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 2.98Å; L326-F329 HydrophobicContact CD1-CD1 4.28Å; L326-F329 PolarHBondContact O-N 2.82Å; L326-C330 WeakPolarHBondContact O-CB 3.4Å; L326-C330 PolarHBondContact O-N 3.03Å; L326-C330 PolarHBondContact O-SG 3.23Å; L326-T362 HydrophobicContact CD1-CG2 4.29Å; L326-T362 HydrophobicContact CD2-CG2 3.67Å; L326-L366 HydrophobicContact CB-CD2 4.39Å; L326-L366 HydrophobicContact CD2-CB 4Å; L326-L366 HydrophobicContact CD2-CD2 3.92Å; L326-L366 HydrophobicContact CD2-CG 4.49Å; L326-L366 HydrophobicContact CG-CD2 3.89Å
327	P	92.2	Very high	88.3	Confident	17 Å²	17	39.3 Å²	39.3	11%	0.11	20%	0.201	C	C	.	.	H	α-helix	trans	-57.3	-42.9	173.6	-25.2	33.6	0	0	0	113.3	L322 A325 K331 L366 A387	L322-P327 WeakPolarHBondContact O-CD 3.48Å; L322-P327 VanDerWaalsContact O-CG 3.32Å; L322-P327 WeakPolarHBondContact O-CG 3.22Å; A325-P327 VanDerWaalsContact C-CD 3.48Å; P327-K331 WeakPolarHBondContact O-CB 3.2Å; P327-K331 PolarHBondContact O-N 2.93Å; P327-L366 HydrophobicContact CG-CD1 3.87Å; P327-A387 HydrophobicContact CB-CB 3.91Å
328	Q	90.4	Very high	88.7	Confident	64 Å²	64	38.4 Å²	38.4	30%	0.299	20%	0.199	S	C	.	.	H	α-helix	trans	-70.9	-40.8	-179.8	-58.3	-178.3	4.9	0	0	110.8	V281 A325 L326 K331 A332	V281-Q328 PolarHBondContact O-OE1 2.77Å; A325-Q328 PolarHBondContact O-N 3.25Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 2.98Å; Q328-K331 WeakPolarHBondContact O-CB 3.33Å; Q328-K331 PolarHBondContact O-N 3.49Å; Q328-A332 PolarHBondContact O-N 2.88Å
329	F	91.8	Very high	88.7	Confident	4 Å²	4	40 Å²	40	2%	0.018	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-45.5	175.8	-178.9	-100.4	0	0	0	112.1	S284 L306 F307 V310 M311 A325 L326 K331 A332 M333	S284-F329 WeakPolarHBondContact OG-CA 3.47Å; S284-F329 PolarHBondContact OG-N 3.24Å; L306-F329 HydrophobicContact CD2-CE2 4.12Å; F307-F329 HydrophobicContact CD1-CE1 4.41Å; F307-F329 AromaticContact CD1-CE2 3.88Å; F307-F329 HydrophobicContact CD1-CE2 3.88Å; F307-F329 AromaticContact CD1-CZ 3.59Å; F307-F329 HydrophobicContact CD1-CZ 3.59Å; F307-F329 HydrophobicContact CE1-CE2 4.16Å; F307-F329 HydrophobicContact CE1-CZ 4.25Å; F307-F329 HydrophobicContact CG-CZ 4.44Å; V310-F329 HydrophobicContact CB-CE2 3.72Å; V310-F329 HydrophobicContact CB-CZ 3.72Å; V310-F329 HydrophobicContact CG1-CD1 4.38Å; V310-F329 HydrophobicContact CG1-CD2 3.95Å; V310-F329 HydrophobicContact CG1-CE1 4.04Å; V310-F329 HydrophobicContact CG1-CE2 3.57Å; V310-F329 HydrophobicContact CG1-CG 4.34Å; V310-F329 HydrophobicContact CG1-CZ 3.61Å; V310-F329 HydrophobicContact CG2-CE2 4.01Å; V310-F329 HydrophobicContact CG2-CZ 4.49Å; M311-F329 HydrophobicContact CG-CE1 4.18Å; M311-F329 HydrophobicContact CG-CZ 4.44Å; M311-F329 HydrophobicContact SD-CE1 3.74Å; A325-F329 PolarHBondContact O-N 3.14Å; L326-F329 HydrophobicContact CD1-CD1 4.28Å; L326-F329 PolarHBondContact O-N 2.82Å; F329-K331 VanDerWaalsContact C-N 3.29Å; F329-K331 PolarHBondContact O-N 3.4Å; F329-A332 PolarHBondContact O-N 3.28Å; F329-M333 HydrophobicContact CE1-SD 4.13Å; F329-M333 WeakPolarHBondContact O-CB 3.4Å; F329-M333 PolarHBondContact O-N 3.18Å
330	C	92.7	Very high	88.9	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-41.9	173.4	-66.8	0	0	0	0	111.3	L326 A332 M333 S334 F363 A390 C394	L326-C330 WeakPolarHBondContact O-CB 3.4Å; L326-C330 PolarHBondContact O-N 3.03Å; L326-C330 PolarHBondContact O-SG 3.23Å; C330-A332 PolarHBondContact O-N 2.91Å; C330-M333 PolarHBondContact O-N 3.29Å; C330-S334 WeakPolarHBondContact O-CB 3.22Å; C330-S334 PolarHBondContact O-N 3.4Å; C330-F363 VanDerWaalsContact SG-CE1 3.59Å; C330-A390 HydrophobicContact CB-CB 3.95Å; C330-C394 PolarHBondContact O-SG 3.28Å
331	K	90.8	Very high	89.1	Confident	62 Å²	62	32.6 Å²	32.6	27%	0.27	17%	0.171	S	C	.	.	H	α-helix	trans	-60.7	-46	177.9	-174.7	168.8	174.5	159.8	0	111.5	E288 P327 Q328 F329 S334 D386 A390	E288-K331 WeakPolarHBondContact OE1-CE 3.38Å; E288-K331 VanDerWaalsContact OE2-CE 3.32Å; E288-K331 WeakPolarHBondContact OE2-CE 3.43Å; P327-K331 WeakPolarHBondContact O-CB 3.2Å; P327-K331 PolarHBondContact O-N 2.93Å; Q328-K331 WeakPolarHBondContact O-CB 3.33Å; Q328-K331 PolarHBondContact O-N 3.49Å; F329-K331 VanDerWaalsContact C-N 3.29Å; F329-K331 PolarHBondContact O-N 3.4Å; K331-S334 PolarHBondContact O-N 3.36Å; K331-S334 PolarHBondContact O-OG 3.02Å; K331-D386 IonicContact NZ-OD2 2.73Å; K331-D386 PolarHBondContact NZ-OD2 2.71Å; K331-A390 HydrophobicContact CB-CB 4.33Å
332	A	90.3	Very high	89.2	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.9	-46.9	174.1	0	0	0	0	0	112.5	S284 V287 E288 L291 Q328 F329 C330 S334 K335	S284-A332 WeakPolarHBondContact O-CB 3.41Å; V287-A332 HydrophobicContact CB-CB 4.21Å; V287-A332 HydrophobicContact CG1-CB 4.05Å; E288-A332 HydrophobicContact CB-CB 4.13Å; L291-A332 WeakPolarHBondContact CD1-O 3.4Å; Q328-A332 PolarHBondContact O-N 2.88Å; F329-A332 PolarHBondContact O-N 3.28Å; C330-A332 PolarHBondContact O-N 2.91Å; A332-S334 VanDerWaalsContact C-N 3.28Å; A332-S334 PolarHBondContact O-N 3.15Å; A332-K335 WeakPolarHBondContact O-CB 3.25Å; A332-K335 PolarHBondContact O-N 3.23Å; A332-K335 VanDerWaalsContact O-N 3.07Å
333	M	90.9	Very high	89.3	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-35	177.8	-172.8	172.5	143.2	0	0	112.3	F307 F329 C330 K335 L336 W348 F363 C394 I397	F307-M333 HydrophobicContact CD1-CB 3.93Å; F307-M333 HydrophobicContact CD1-CG 3.86Å; F307-M333 HydrophobicContact CD1-SD 4.21Å; F307-M333 HydrophobicContact CE1-CB 3.63Å; F307-M333 HydrophobicContact CE1-CG 4Å; F329-M333 HydrophobicContact CE1-SD 4.13Å; F329-M333 WeakPolarHBondContact O-CB 3.4Å; F329-M333 PolarHBondContact O-N 3.18Å; C330-M333 PolarHBondContact O-N 3.29Å; M333-K335 PolarHBondContact O-N 3.01Å; M333-K335 VanDerWaalsContact O-N 3.16Å; M333-L336 HydrophobicContact CG-CD1 3.93Å; M333-L336 VanDerWaalsContact O-CB 3.32Å; M333-L336 WeakPolarHBondContact O-CB 3.46Å; M333-L336 WeakPolarHBondContact O-CG 3.45Å; M333-L336 PolarHBondContact O-N 3.33Å; M333-L336 VanDerWaalsContact O-N 3.1Å; M333-W348 HydrophobicContact CE-CH2 3.7Å; M333-W348 HydrophobicContact CE-CZ3 4.05Å; M333-F363 HydrophobicContact CE-CZ 4.04Å; M333-F363 HydrophobicContact SD-CZ 4.28Å; M333-C394 HydrophobicContact CE-CB 3.61Å; M333-C394 HydrophobicContact SD-CB 4.23Å; M333-I397 HydrophobicContact CE-CD1 3.88Å
334	S	89.5	Confident	89.4	Confident	27 Å²	27	28.4 Å²	28.4	19%	0.189	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-12.3	175.9	82.3	0	0	0	0	114.7	C330 K331 A332	C330-S334 WeakPolarHBondContact O-CB 3.22Å; C330-S334 PolarHBondContact O-N 3.4Å; K331-S334 PolarHBondContact O-N 3.36Å; K331-S334 PolarHBondContact O-OG 3.02Å; A332-S334 VanDerWaalsContact C-N 3.28Å; A332-S334 PolarHBondContact O-N 3.15Å
335	K	89.5	Confident	89.7	Confident	93 Å²	93	24.6 Å²	24.6	40%	0.404	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	0	174.3	-53	-56.6	-178.8	175.7	0	113.6	E288 L291 A332 M333	E288-K335 HydrophobicContact CG-CG 3.97Å; E288-K335 VanDerWaalsContact OE1-CE 3.28Å; E288-K335 WeakPolarHBondContact OE1-CE 3.43Å; L291-K335 HydrophobicContact CB-CB 4.13Å; L291-K335 HydrophobicContact CD1-CB 4.44Å; A332-K335 WeakPolarHBondContact O-CB 3.25Å; A332-K335 PolarHBondContact O-N 3.23Å; A332-K335 VanDerWaalsContact O-N 3.07Å; M333-K335 PolarHBondContact O-N 3.01Å; M333-K335 VanDerWaalsContact O-N 3.16Å
336	L	88.9	Confident	89.7	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.031	15%	0.145	C	C	.	.			trans	-60.9	134.6	177.5	-77.7	172.1	0	0	0	111.3	L291 L304 F307 M333 A340 Q341 L344	L291-L336 HydrophobicContact CD1-CD2 3.81Å; L291-L336 HydrophobicContact CD1-CG 4.15Å; L291-L336 HydrophobicContact CD2-CD2 4.02Å; L304-L336 HydrophobicContact CD2-CD1 4.35Å; L304-L336 HydrophobicContact CD2-CD2 4.31Å; F307-L336 HydrophobicContact CD1-CD1 4.36Å; F307-L336 HydrophobicContact CD2-CD1 4.28Å; F307-L336 HydrophobicContact CD2-CD2 4.35Å; F307-L336 HydrophobicContact CE1-CD1 4.32Å; F307-L336 HydrophobicContact CE2-CD1 4.22Å; F307-L336 HydrophobicContact CE2-CD2 3.75Å; F307-L336 HydrophobicContact CE2-CG 4.3Å; F307-L336 HydrophobicContact CG-CD1 4.35Å; F307-L336 HydrophobicContact CZ-CD1 4.23Å; F307-L336 HydrophobicContact CZ-CD2 4.07Å; F307-L336 HydrophobicContact CZ-CG 4.2Å; M333-L336 HydrophobicContact CG-CD1 3.93Å; M333-L336 VanDerWaalsContact O-CB 3.32Å; M333-L336 WeakPolarHBondContact O-CB 3.46Å; M333-L336 WeakPolarHBondContact O-CG 3.45Å; M333-L336 PolarHBondContact O-N 3.33Å; M333-L336 VanDerWaalsContact O-N 3.1Å; L336-A340 HydrophobicContact CB-CB 4.26Å; L336-A340 HydrophobicContact CD2-CB 4.08Å; L336-Q341 HydrophobicContact CB-CG 3.9Å; L336-Q341 PolarHBondContact O-NE2 3.26Å; L336-L344 HydrophobicContact CD1-CD2 4.33Å
337	P	89.1	Confident	89.7	Confident	50 Å²	50	29.1 Å²	29.1	33%	0.325	15%	0.149	S	C	.	.			trans	-58.3	152.7	171.8	-24.7	34.6	0	0	0	112.5	Y297 A339 A340 Q341	Y297-P337 HydrophobicContact CD1-CG 4.23Å; P337-A339 VanDerWaalsContact C-N 3.34Å; P337-A339 PolarHBondContact O-N 2.69Å; P337-A340 WeakPolarHBondContact O-CA 3.32Å; P337-A340 VanDerWaalsContact O-CB 3.23Å; P337-A340 WeakPolarHBondContact O-CB 3.4Å; P337-A340 PolarHBondContact O-N 2.85Å; P337-Q341 PolarHBondContact O-N 3Å
338	L	87.6	Confident	89.6	Confident	78 Å²	78	28.3 Å²	28.3	41%	0.408	14%	0.144	S	C	.	.	H	α-helix	trans	-52.9	-46.5	-177.7	-67.9	172.9	0	0	0	113.1	A340 Q341 A342 P447	L338-A340 PolarHBondContact O-N 2.92Å; L338-Q341 WeakPolarHBondContact O-CB 3.43Å; L338-Q341 PolarHBondContact O-N 2.94Å; L338-Q341 VanDerWaalsContact O-N 3.11Å; L338-A342 WeakPolarHBondContact O-CB 3.41Å; L338-A342 PolarHBondContact O-N 3.24Å; L338-P447 HydrophobicContact CD1-CB 3.73Å; L338-P447 HydrophobicContact CD2-CB 4.12Å
339	A	86.5	Confident	89.5	Confident	46 Å²	46	26 Å²	26	38%	0.38	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-25.8	175.9	0	0	0	0	0	114	P337 K343	P337-A339 VanDerWaalsContact C-N 3.34Å; P337-A339 PolarHBondContact O-N 2.69Å; A339-K343 PolarHBondContact O-N 2.76Å
340	A	86.6	Confident	89.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-77.3	-42.7	173.9	0	0	0	0	0	111.2	Y297 L304 L336 P337 L338 K343 L344	Y297-A340 HydrophobicContact CD1-CB 3.73Å; Y297-A340 HydrophobicContact CD2-CB 4.07Å; Y297-A340 HydrophobicContact CE1-CB 3.48Å; Y297-A340 VanDerWaalsContact CE1-CB 3.48Å; Y297-A340 HydrophobicContact CE2-CB 3.86Å; Y297-A340 HydrophobicContact CG-CB 4.01Å; L304-A340 HydrophobicContact CD2-CB 4.16Å; L336-A340 HydrophobicContact CB-CB 4.26Å; L336-A340 HydrophobicContact CD2-CB 4.08Å; P337-A340 WeakPolarHBondContact O-CA 3.32Å; P337-A340 VanDerWaalsContact O-CB 3.23Å; P337-A340 WeakPolarHBondContact O-CB 3.4Å; P337-A340 PolarHBondContact O-N 2.85Å; L338-A340 PolarHBondContact O-N 2.92Å; A340-K343 PolarHBondContact O-N 3.34Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 PolarHBondContact O-N 3.45Å
341	Q	90.9	Very high	89.2	Confident	26 Å²	26	34.1 Å²	34.1	12%	0.121	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-44.1	174.1	-59.1	-178.3	18.1	0	0	111	L336 P337 L338 L344 T345 I397 L448	L336-Q341 HydrophobicContact CB-CG 3.9Å; L336-Q341 PolarHBondContact O-NE2 3.26Å; P337-Q341 PolarHBondContact O-N 3Å; L338-Q341 WeakPolarHBondContact O-CB 3.43Å; L338-Q341 PolarHBondContact O-N 2.94Å; L338-Q341 VanDerWaalsContact O-N 3.11Å; Q341-L344 PolarHBondContact O-N 3.17Å; Q341-T345 WeakPolarHBondContact O-CB 3.36Å; Q341-T345 PolarHBondContact O-N 3.37Å; Q341-T345 PolarHBondContact O-OG1 3.15Å; Q341-I397 HydrophobicContact CB-CD1 3.97Å; Q341-I397 HydrophobicContact CB-CG1 4.33Å; Q341-I397 HydrophobicContact CG-CD1 3.78Å; Q341-L448 HydrophobicContact CB-CD1 3.98Å
342	A	88.6	Confident	89.2	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.017	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-45.8	177.6	0	0	0	0	0	112.2	L338 L344 T345 R346 L448 E451 L452	L338-A342 WeakPolarHBondContact O-CB 3.41Å; L338-A342 PolarHBondContact O-N 3.24Å; A342-L344 PolarHBondContact O-N 3.02Å; A342-T345 WeakPolarHBondContact O-CB 3.43Å; A342-T345 PolarHBondContact O-N 3.14Å; A342-R346 WeakPolarHBondContact O-CG 3.4Å; A342-R346 PolarHBondContact O-N 3.41Å; A342-L448 HydrophobicContact CB-CD1 4.11Å; A342-E451 HydrophobicContact CB-CB 4.4Å; A342-E451 HydrophobicContact CB-CG 3.57Å; A342-L452 HydrophobicContact CB-CD2 3.85Å; A342-L452 HydrophobicContact CB-CG 4.26Å
343	K	87.7	Confident	89.2	Confident	37 Å²	37	34.9 Å²	34.9	16%	0.161	19%	0.187	C	C	.	.	H	α-helix	trans	-63.1	-40	175.3	-179.5	160.5	179.8	157.3	0	112.5	P249 E251 L304 A339 A340 T345 R346 L347	P249-K343 WeakPolarHBondContact O-CE 3.17Å; P249-K343 PolarHBondContact O-NZ 3.14Å; E251-K343 WeakPolarHBondContact O-CE 3.26Å; E251-K343 PolarHBondContact O-NZ 2.98Å; L304-K343 HydrophobicContact CD1-CB 3.96Å; L304-K343 HydrophobicContact CD1-CD 4.15Å; L304-K343 HydrophobicContact CD1-CG 3.93Å; A339-K343 PolarHBondContact O-N 2.76Å; A340-K343 PolarHBondContact O-N 3.34Å; K343-T345 VanDerWaalsContact C-N 3.34Å; K343-R346 PolarHBondContact O-N 2.99Å; K343-L347 PolarHBondContact O-N 3.46Å
344	L	89.4	Confident	89.1	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-39	176.2	-168.6	60.2	0	0	0	111.8	L304 F307 V308 L336 A340 Q341 A342 L347 W348 I397	L304-L344 HydrophobicContact CD2-CB 4.31Å; L304-L344 HydrophobicContact CD2-CD2 4.49Å; F307-L344 HydrophobicContact CB-CD2 4.4Å; V308-L344 HydrophobicContact CG2-CD1 3.94Å; L336-L344 HydrophobicContact CD1-CD2 4.33Å; A340-L344 WeakPolarHBondContact O-CB 3.31Å; A340-L344 PolarHBondContact O-N 3.45Å; Q341-L344 PolarHBondContact O-N 3.17Å; A342-L344 PolarHBondContact O-N 3.02Å; L344-L347 PolarHBondContact O-N 2.98Å; L344-W348 HydrophobicContact CD1-CD2 4.19Å; L344-W348 HydrophobicContact CD1-CH2 4.2Å; L344-W348 HydrophobicContact CD1-CZ2 3.58Å; L344-W348 HydrophobicContact CD2-CH2 3.45Å; L344-W348 VanDerWaalsContact CD2-CH2 3.45Å; L344-W348 HydrophobicContact CD2-CZ2 3.7Å; L344-W348 HydrophobicContact CD2-CZ3 3.9Å; L344-W348 HydrophobicContact CG-CD2 3.94Å; L344-W348 HydrophobicContact CG-CE3 4Å; L344-W348 HydrophobicContact CG-CH2 3.69Å; L344-W348 HydrophobicContact CG-CZ2 3.59Å; L344-W348 HydrophobicContact CG-CZ3 3.88Å; L344-W348 PolarHBondContact O-N 2.97Å; L344-I397 HydrophobicContact CB-CG2 4.46Å; L344-I397 HydrophobicContact CD2-CG2 4.48Å; L344-I397 HydrophobicContact CG-CG2 4.47Å
345	T	91.1	Very high	89.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-48.1	174.3	-50.7	0	0	0	0	111.5	Q341 A342 K343 L347 W348 S349 I397 Y400 A401 I404 L452	Q341-T345 WeakPolarHBondContact O-CB 3.36Å; Q341-T345 PolarHBondContact O-N 3.37Å; Q341-T345 PolarHBondContact O-OG1 3.15Å; A342-T345 WeakPolarHBondContact O-CB 3.43Å; A342-T345 PolarHBondContact O-N 3.14Å; K343-T345 VanDerWaalsContact C-N 3.34Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 2.66Å; T345-W348 PolarHBondContact O-N 3.48Å; T345-S349 PolarHBondContact O-N 3.14Å; T345-I397 WeakPolarHBondContact OG1-CG2 3.28Å; T345-Y400 VanDerWaalsContact CG2-C 3.44Å; T345-A401 HydrophobicContact CG2-CB 4.04Å; T345-A401 VanDerWaalsContact CG2-N 3.29Å; T345-I404 HydrophobicContact CG2-CD1 4.06Å; T345-L452 HydrophobicContact CG2-CD1 3.89Å; T345-L452 HydrophobicContact CG2-CD2 4.24Å
346	R	89.6	Confident	89.3	Confident	77 Å²	77	38.8 Å²	38.8	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-67.9	-27.9	178.4	-67.6	178.7	-166.5	150.9	7.4	113.4	D250 A342 K343 S349 H350 E451 L452	D250-R346 WeakPolarHBondContact OD1-CD 3.49Å; D250-R346 IonicContact OD1-CZ 2.81Å; D250-R346 IonicContact OD1-NE 3.58Å; D250-R346 IonicContact OD1-NH1 2.6Å; D250-R346 PolarHBondContact OD1-NH1 3.26Å; A342-R346 WeakPolarHBondContact O-CG 3.4Å; A342-R346 PolarHBondContact O-N 3.41Å; K343-R346 PolarHBondContact O-N 2.99Å; R346-S349 PolarHBondContact O-OG 3.02Å; R346-H350 PolarHBondContact O-CE1 2.94Å; R346-H350 VanDerWaalsContact O-CE1 3.32Å; R346-H350 PolarHBondContact O-ND1 2.75Å; R346-E451 PolarHBondContact NH2-O 2.85Å; R346-L452 HydrophobicContact CG-CD2 4.1Å
347	L	89	Confident	89.5	Confident	21 Å²	21	42 Å²	42	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-51.2	170.1	-177.3	74.8	0	0	0	110.1	V252 I256 V308 K343 L344 T345 S349 H350 Y351	V252-L347 HydrophobicContact CB-CD1 4.14Å; V252-L347 HydrophobicContact CB-CD2 4.31Å; V252-L347 HydrophobicContact CG2-CD1 4.03Å; V252-L347 HydrophobicContact CG2-CD2 3.98Å; V252-L347 HydrophobicContact CG2-CG 4.42Å; I256-L347 HydrophobicContact CD1-CD1 4.31Å; V308-L347 HydrophobicContact CB-CD2 4.48Å; V308-L347 HydrophobicContact CG1-CD2 4.17Å; V308-L347 HydrophobicContact CG2-CD2 3.42Å; V308-L347 VanDerWaalsContact CG2-CD2 3.42Å; K343-L347 PolarHBondContact O-N 3.46Å; L344-L347 PolarHBondContact O-N 2.98Å; T345-L347 VanDerWaalsContact C-N 3.32Å; T345-L347 PolarHBondContact O-N 2.66Å; L347-S349 VanDerWaalsContact C-N 3.31Å; L347-S349 PolarHBondContact O-N 2.98Å; L347-H350 PolarHBondContact O-N 3.25Å; L347-Y351 HydrophobicContact CG-CE1 4.41Å
348	W	90.8	Very high	89.6	Confident	1 Å²	1	41.5 Å²	41.5	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-69.2	-24.7	-176.3	-65.6	-23.3	0	0	0	113.4	M311 M333 L344 T345 H350 Y351 I356 M359 I397 V398 A401	M311-W348 HydrophobicContact CB-CZ2 4.35Å; M311-W348 HydrophobicContact CG-CH2 4.37Å; M311-W348 HydrophobicContact CG-CZ2 4.05Å; M333-W348 HydrophobicContact CE-CH2 3.7Å; M333-W348 HydrophobicContact CE-CZ3 4.05Å; L344-W348 HydrophobicContact CD1-CD2 4.19Å; L344-W348 HydrophobicContact CD1-CH2 4.2Å; L344-W348 HydrophobicContact CD1-CZ2 3.58Å; L344-W348 HydrophobicContact CD2-CH2 3.45Å; L344-W348 VanDerWaalsContact CD2-CH2 3.45Å; L344-W348 HydrophobicContact CD2-CZ2 3.7Å; L344-W348 HydrophobicContact CD2-CZ3 3.9Å; L344-W348 HydrophobicContact CG-CD2 3.94Å; L344-W348 HydrophobicContact CG-CE3 4Å; L344-W348 HydrophobicContact CG-CH2 3.69Å; L344-W348 HydrophobicContact CG-CZ2 3.59Å; L344-W348 HydrophobicContact CG-CZ3 3.88Å; L344-W348 PolarHBondContact O-N 2.97Å; T345-W348 PolarHBondContact O-N 3.48Å; W348-H350 PolarHBondContact O-N 3.32Å; W348-Y351 AromaticContact CD1-CE2 3.61Å; W348-Y351 AromaticContact CD1-CZ 3.61Å; W348-Y351 VanDerWaalsContact O-CB 3.29Å; W348-Y351 WeakPolarHBondContact O-CB 3.48Å; W348-Y351 PolarHBondContact O-N 2.89Å; W348-I356 HydrophobicContact CB-CD1 4.06Å; W348-I356 WeakPolarHBondContact O-CD1 3.34Å; W348-M359 HydrophobicContact CD2-CE 3.56Å; W348-M359 HydrophobicContact CE3-CE 3.73Å; W348-M359 HydrophobicContact CG-CE 4.21Å; W348-M359 HydrophobicContact CH2-CE 3.53Å; W348-M359 HydrophobicContact CZ2-CE 3.36Å; W348-M359 HydrophobicContact CZ3-CE 3.72Å; W348-I397 HydrophobicContact CE3-CG2 3.8Å; W348-I397 HydrophobicContact CZ3-CB 4.08Å; W348-I397 HydrophobicContact CZ3-CG2 3.56Å; W348-V398 HydrophobicContact CE3-CG2 4.31Å; W348-V398 HydrophobicContact CZ3-CG2 4Å; W348-A401 HydrophobicContact CB-CB 3.66Å
349	S	89.4	Confident	89.8	Confident	15 Å²	15	37.9 Å²	37.9	11%	0.105	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	174.1	66.4	0	0	0	0	114.3	T345 R346 L347 G405	T345-S349 PolarHBondContact O-N 3.14Å; R346-S349 PolarHBondContact O-OG 3.02Å; L347-S349 VanDerWaalsContact C-N 3.31Å; L347-S349 PolarHBondContact O-N 2.98Å; S349-G405 VanDerWaalsContact O-CA 3.26Å; S349-G405 WeakPolarHBondContact O-CA 3.38Å
350	H	88.6	Confident	90.2	Very high	157 Å²	157	35.9 Å²	35.9	73%	0.727	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	0.1	173.8	-63.4	83.1	0	0	0	113.4	R346 L347 W348	R346-H350 PolarHBondContact O-CE1 2.94Å; R346-H350 VanDerWaalsContact O-CE1 3.32Å; R346-H350 PolarHBondContact O-ND1 2.75Å; L347-H350 PolarHBondContact O-N 3.25Å; W348-H350 PolarHBondContact O-N 3.32Å
351	Y	89.1	Confident	90.5	Very high	17 Å²	17	39.7 Å²	39.7	7%	0.067	19%	0.189	C	C	.	.	S	Bend	trans	-81.5	160.7	-179.7	-75.8	19.7	0	0	0	111.5	I256 E312 L347 W348 Q355 M359	I256-Y351 HydrophobicContact CD1-CE1 3.97Å; E312-Y351 WeakPolarHBondContact OE1-CE2 3.32Å; E312-Y351 PolarHBondContact OE1-OH 2.84Å; E312-Y351 VanDerWaalsContact OE1-OH 3.14Å; L347-Y351 HydrophobicContact CG-CE1 4.41Å; W348-Y351 AromaticContact CD1-CE2 3.61Å; W348-Y351 AromaticContact CD1-CZ 3.61Å; W348-Y351 VanDerWaalsContact O-CB 3.29Å; W348-Y351 WeakPolarHBondContact O-CB 3.48Å; W348-Y351 PolarHBondContact O-N 2.89Å; Y351-Q355 HydrophobicContact CD2-CB 4.03Å; Y351-Q355 HydrophobicContact CG-CB 4.48Å; Y351-M359 HydrophobicContact CD2-SD 4.32Å; Y351-M359 HydrophobicContact CE2-SD 4.33Å
352	S	89.4	Confident	90.6	Very high	49 Å²	49	38.8 Å²	38.8	34%	0.343	19%	0.185	S	C	.	.			trans	-70.9	156	174.1	74.1	0	0	0	0	111.8	E354 Q355 I356	S352-E354 PolarHBondContact O-N 2.84Å; S352-Q355 WeakPolarHBondContact O-CB 3.35Å; S352-Q355 PolarHBondContact O-N 3.45Å; S352-Q355 WeakPolarHBondContact OG-CG 3.47Å; S352-Q355 PolarHBondContact OG-N 3.39Å; S352-I356 PolarHBondContact O-N 3.26Å; S352-I356 VanDerWaalsContact O-N 3.09Å
353	A	90.5	Very high	90.8	Very high	30 Å²	30	38.7 Å²	38.7	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-56.5	-33.4	177.1	0	0	0	0	0	112.8	R357 L463 I464	A353-R357 VanDerWaalsContact O-CB 3.3Å; A353-R357 WeakPolarHBondContact O-CB 3.47Å; A353-R357 PolarHBondContact O-N 3.23Å; A353-L463 HydrophobicContact CB-CB 4.41Å; A353-L463 HydrophobicContact CB-CD2 4.39Å; A353-I464 HydrophobicContact CB-CG1 4.44Å; A353-I464 WeakPolarHBondContact O-CD1 3.12Å
354	E	90.1	Very high	91.1	Very high	152 Å²	152	38.1 Å²	38.1	71%	0.71	18%	0.182	S	C	*	.	H	α-helix	trans	-65.1	-39.5	174.8	-63.2	178.6	166.3	0	0	112.5	S352 R357 R358	S352-E354 PolarHBondContact O-N 2.84Å; E354-R357 PolarHBondContact O-N 3.49Å; E354-R358 PolarHBondContact O-N 3.37Å
355	Q	89.6	Confident	91.2	Very high	49 Å²	49	41.7 Å²	41.7	23%	0.229	20%	0.199	C	C	.	.	H	α-helix	trans	-70.8	-41.3	-179.8	-69.4	165.4	1.1	0	0	111.3	R260 Y351 S352 R357 M359	R260-Q355 VanDerWaalsContact CZ-NE2 3.34Å; R260-Q355 VanDerWaalsContact NH2-CD 3.25Å; Y351-Q355 HydrophobicContact CD2-CB 4.03Å; Y351-Q355 HydrophobicContact CG-CB 4.48Å; S352-Q355 WeakPolarHBondContact O-CB 3.35Å; S352-Q355 PolarHBondContact O-N 3.45Å; S352-Q355 WeakPolarHBondContact OG-CG 3.47Å; S352-Q355 PolarHBondContact OG-N 3.39Å; Q355-R357 VanDerWaalsContact C-N 3.33Å; Q355-M359 WeakPolarHBondContact O-CG 3.43Å; Q355-M359 PolarHBondContact O-N 3.06Å
356	I	92.1	Very high	91.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-38	173.4	-62.4	-65.9	0	0	0	110.6	W348 S352 M359 M360 V398 A401 N402 I464	W348-I356 HydrophobicContact CB-CD1 4.06Å; W348-I356 WeakPolarHBondContact O-CD1 3.34Å; S352-I356 PolarHBondContact O-N 3.26Å; S352-I356 VanDerWaalsContact O-N 3.09Å; I356-M359 PolarHBondContact O-N 2.69Å; I356-M360 WeakPolarHBondContact O-CB 3.26Å; I356-M360 PolarHBondContact O-N 3.37Å; I356-V398 HydrophobicContact CG2-CG1 3.79Å; I356-A401 HydrophobicContact CD1-CB 4.31Å; I356-N402 HydrophobicContact CG2-CB 4.1Å; I356-I464 HydrophobicContact CB-CD1 3.92Å; I356-I464 HydrophobicContact CG2-CD1 3.61Å
357	R	93.6	Very high	91.5	Very high	74 Å²	74	38 Å²	38	28%	0.279	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-49.9	175.4	-174.5	174.2	-73.5	109.6	-2.1	111.4	A353 E354 Q355 M359 M360 E361 I464 E468	A353-R357 VanDerWaalsContact O-CB 3.3Å; A353-R357 WeakPolarHBondContact O-CB 3.47Å; A353-R357 PolarHBondContact O-N 3.23Å; E354-R357 PolarHBondContact O-N 3.49Å; Q355-R357 VanDerWaalsContact C-N 3.33Å; R357-M359 PolarHBondContact O-N 2.98Å; R357-M360 HydrophobicContact CG-CE 4.11Å; R357-M360 WeakPolarHBondContact O-CB 3.33Å; R357-M360 PolarHBondContact O-N 3.08Å; R357-M360 VanDerWaalsContact O-N 3.15Å; R357-E361 HydrophobicContact CG-CG 4.16Å; R357-E361 WeakPolarHBondContact CG-OE1 3.48Å; R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 WeakPolarHBondContact O-CG 3.45Å; R357-E361 PolarHBondContact O-N 3.03Å; R357-I464 HydrophobicContact CB-CD1 3.73Å; R357-I464 VanDerWaalsContact N-CD1 3.3Å; R357-E468 IonicContact CZ-OE1 3.55Å; R357-E468 IonicContact CZ-OE2 3.54Å; R357-E468 IonicContact NE-OE1 2.67Å; R357-E468 IonicContact NE-OE2 2.64Å; R357-E468 PolarHBondContact NE-OE2 2.84Å; R357-E468 IonicContact NH2-OE1 3.49Å; R357-E468 PolarHBondContact NH2-OE1 2.71Å; R357-E468 IonicContact NH2-OE2 2.71Å; R357-E468 PolarHBondContact NH2-OE2 2.7Å
358	R	92.1	Very high	91.6	Very high	40 Å²	40	38.8 Å²	38.8	15%	0.151	19%	0.191	C	C	.	.	H	α-helix	trans	-50.9	-44.4	174.2	179.5	-166.3	66.3	169.8	-3.1	111.8	M311 E312 N314 E354 T362	M311-R358 PolarHBondContact O-NH2 3.02Å; E312-R358 PolarHBondContact O-NH1 2.74Å; E312-R358 VanDerWaalsContact O-NH1 3.09Å; E312-R358 IonicContact OE1-NH2 3.7Å; E312-R358 IonicContact OE2-CZ 3.27Å; E312-R358 IonicContact OE2-NH1 2.76Å; E312-R358 PolarHBondContact OE2-NH1 3.49Å; E312-R358 IonicContact OE2-NH2 2.74Å; E312-R358 PolarHBondContact OE2-NH2 3.43Å; N314-R358 PolarHBondContact OD1-NH1 3.08Å; E354-R358 PolarHBondContact O-N 3.37Å; R358-T362 WeakPolarHBondContact O-CB 3.47Å; R358-T362 PolarHBondContact O-N 3.07Å; R358-T362 PolarHBondContact O-OG1 3.34Å
359	M	92.1	Very high	91.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-70.8	-42	-179.5	-70.2	174.3	67	0	0	112.8	M311 W348 Y351 Q355 I356 R357 T362 F363 V398	M311-M359 HydrophobicContact CB-CE 4.28Å; M311-M359 HydrophobicContact CE-CB 4.23Å; M311-M359 HydrophobicContact CE-CE 3.89Å; M311-M359 HydrophobicContact CE-CG 3.92Å; M311-M359 HydrophobicContact CG-CE 4.44Å; W348-M359 HydrophobicContact CD2-CE 3.56Å; W348-M359 HydrophobicContact CE3-CE 3.73Å; W348-M359 HydrophobicContact CG-CE 4.21Å; W348-M359 HydrophobicContact CH2-CE 3.53Å; W348-M359 HydrophobicContact CZ2-CE 3.36Å; W348-M359 HydrophobicContact CZ3-CE 3.72Å; Y351-M359 HydrophobicContact CD2-SD 4.32Å; Y351-M359 HydrophobicContact CE2-SD 4.33Å; Q355-M359 WeakPolarHBondContact O-CG 3.43Å; Q355-M359 PolarHBondContact O-N 3.06Å; I356-M359 PolarHBondContact O-N 2.69Å; R357-M359 PolarHBondContact O-N 2.98Å; M359-T362 PolarHBondContact O-N 2.88Å; M359-F363 WeakPolarHBondContact O-CD2 3.34Å; M359-F363 PolarHBondContact O-N 2.85Å; M359-V398 HydrophobicContact CB-CG1 4.27Å; M359-V398 HydrophobicContact CB-CG2 4.31Å; M359-V398 HydrophobicContact CE-CG2 4.13Å
360	M	94.3	Very high	91.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-58.7	-52	173.4	176.1	-157.1	77.5	0	0	110.7	I356 R357 T362 F363 Q364 L395 V398 I464 E468 F469	I356-M360 WeakPolarHBondContact O-CB 3.26Å; I356-M360 PolarHBondContact O-N 3.37Å; R357-M360 HydrophobicContact CG-CE 4.11Å; R357-M360 WeakPolarHBondContact O-CB 3.33Å; R357-M360 PolarHBondContact O-N 3.08Å; R357-M360 VanDerWaalsContact O-N 3.15Å; M360-T362 VanDerWaalsContact C-N 3.31Å; M360-T362 PolarHBondContact O-N 2.94Å; M360-F363 PolarHBondContact O-N 3Å; M360-Q364 HydrophobicContact CG-CG 4.46Å; M360-Q364 WeakPolarHBondContact O-CB 3.24Å; M360-Q364 WeakPolarHBondContact O-CG 3.36Å; M360-Q364 PolarHBondContact O-N 3.23Å; M360-L395 HydrophobicContact CB-CD1 4.16Å; M360-L395 HydrophobicContact CG-CD1 3.88Å; M360-V398 HydrophobicContact CB-CG1 4.38Å; M360-I464 HydrophobicContact SD-CG2 4.4Å; M360-E468 HydrophobicContact CE-CB 3.99Å; M360-E468 HydrophobicContact SD-CB 3.85Å; M360-F469 HydrophobicContact CB-CE1 4.29Å; M360-F469 HydrophobicContact CB-CZ 4.41Å; M360-F469 HydrophobicContact CG-CD1 3.98Å; M360-F469 HydrophobicContact CG-CE1 3.83Å; M360-F469 HydrophobicContact CG-CE2 4.48Å; M360-F469 HydrophobicContact CG-CG 4.38Å; M360-F469 HydrophobicContact CG-CZ 4.09Å; M360-F469 HydrophobicContact SD-CD1 4.31Å; M360-F469 HydrophobicContact SD-CD2 3.92Å; M360-F469 HydrophobicContact SD-CE1 4.25Å; M360-F469 HydrophobicContact SD-CE2 3.84Å; M360-F469 HydrophobicContact SD-CG 4.15Å; M360-F469 HydrophobicContact SD-CZ 4.01Å
361	E	92.9	Very high	91.8	Very high	80 Å²	80	35.5 Å²	35.5	37%	0.374	17%	0.173	S	C	.	.	H	α-helix	trans	-55.5	-44.2	176.6	-73.9	172.5	176.7	0	0	111.5	R357 F363 Q364 Q365	R357-E361 HydrophobicContact CG-CG 4.16Å; R357-E361 WeakPolarHBondContact CG-OE1 3.48Å; R357-E361 WeakPolarHBondContact O-CB 3.42Å; R357-E361 WeakPolarHBondContact O-CG 3.45Å; R357-E361 PolarHBondContact O-N 3.03Å; E361-F363 PolarHBondContact O-N 3.34Å; E361-Q364 PolarHBondContact O-N 3.5Å; E361-Q365 VanDerWaalsContact O-CB 3.27Å; E361-Q365 WeakPolarHBondContact O-CB 3.34Å; E361-Q365 WeakPolarHBondContact O-CG 3.22Å; E361-Q365 PolarHBondContact O-N 3.2Å
362	T	92.4	Very high	91.8	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	20%	0.201	C	C	.	.	H	α-helix	trans	-57.4	-46.7	178.8	-61.1	0	0	0	0	112	L316 L326 R358 M359 M360 L366	L316-T362 HydrophobicContact CB-CG2 3.7Å; L316-T362 HydrophobicContact CD1-CG2 4.39Å; L326-T362 HydrophobicContact CD1-CG2 4.29Å; L326-T362 HydrophobicContact CD2-CG2 3.67Å; R358-T362 WeakPolarHBondContact O-CB 3.47Å; R358-T362 PolarHBondContact O-N 3.07Å; R358-T362 PolarHBondContact O-OG1 3.34Å; M359-T362 PolarHBondContact O-N 2.88Å; M360-T362 VanDerWaalsContact C-N 3.31Å; M360-T362 PolarHBondContact O-N 2.94Å; T362-L366 PolarHBondContact O-N 3.09Å
363	F	94.2	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-74	-36.7	177.9	-64.4	-58.6	0	0	0	112.7	M311 C330 M333 M359 M360 E361 L366 I367 C394 L395 V398	M311-F363 HydrophobicContact CE-CE1 4.44Å; M311-F363 HydrophobicContact CE-CE2 3.7Å; M311-F363 HydrophobicContact CE-CZ 3.55Å; M311-F363 HydrophobicContact SD-CE1 4.45Å; M311-F363 HydrophobicContact SD-CE2 4.49Å; M311-F363 HydrophobicContact SD-CZ 3.76Å; C330-F363 VanDerWaalsContact SG-CE1 3.59Å; M333-F363 HydrophobicContact CE-CZ 4.04Å; M333-F363 HydrophobicContact SD-CZ 4.28Å; M359-F363 WeakPolarHBondContact O-CD2 3.34Å; M359-F363 PolarHBondContact O-N 2.85Å; M360-F363 PolarHBondContact O-N 3Å; E361-F363 PolarHBondContact O-N 3.34Å; F363-L366 PolarHBondContact O-N 3.38Å; F363-I367 WeakPolarHBondContact O-CG1 3.34Å; F363-I367 PolarHBondContact O-N 3.29Å; F363-C394 HydrophobicContact CD1-CB 3.83Å; F363-C394 HydrophobicContact CD2-CB 4.45Å; F363-C394 HydrophobicContact CE1-CB 3.49Å; F363-C394 VanDerWaalsContact CE1-CB 3.49Å; F363-C394 HydrophobicContact CE2-CB 4.15Å; F363-C394 HydrophobicContact CG-CB 4.31Å; F363-C394 HydrophobicContact CZ-CB 3.68Å; F363-L395 HydrophobicContact CB-CB 4.06Å; F363-L395 HydrophobicContact CB-CD1 4.21Å; F363-V398 HydrophobicContact CD2-CG2 3.99Å; F363-V398 HydrophobicContact CE2-CG2 3.71Å
364	Q	93.1	Very high	91.5	Very high	25 Å²	25	43 Å²	43	12%	0.117	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-40.1	176.4	-77.3	-172.9	-29.1	0	0	112.8	M360 E361 L366 I367 T368 L395 E468 F469	M360-Q364 HydrophobicContact CG-CG 4.46Å; M360-Q364 WeakPolarHBondContact O-CB 3.24Å; M360-Q364 WeakPolarHBondContact O-CG 3.36Å; M360-Q364 PolarHBondContact O-N 3.23Å; E361-Q364 PolarHBondContact O-N 3.5Å; Q364-L366 VanDerWaalsContact C-N 3.3Å; Q364-L366 PolarHBondContact O-N 2.89Å; Q364-I367 PolarHBondContact O-N 2.96Å; Q364-T368 WeakPolarHBondContact O-CB 3.1Å; Q364-T368 PolarHBondContact O-N 3.03Å; Q364-T368 PolarHBondContact O-OG1 3.29Å; Q364-L395 HydrophobicContact CG-CD2 3.94Å; Q364-E468 PolarHBondContact NE2-O 3.21Å; Q364-E468 PolarHBondContact OE1-O 3.29Å; Q364-F469 VanDerWaalsContact NE2-CA 3.34Å; Q364-F469 PolarHBondContact NE2-O 2.85Å
365	Q	92.3	Very high	91.1	Very high	75 Å²	75	44.5 Å²	44.5	35%	0.35	22%	0.218	S	C	.	.	H	α-helix	trans	-63	-38.5	175.1	-74.4	172	9.3	0	0	111	H317 L322 E361 T368 F369	H317-Q365 VanDerWaalsContact CB-OE1 3.25Å; L322-Q365 HydrophobicContact CD1-CB 4.19Å; L322-Q365 HydrophobicContact CD2-CB 4.49Å; E361-Q365 VanDerWaalsContact O-CB 3.27Å; E361-Q365 WeakPolarHBondContact O-CB 3.34Å; E361-Q365 WeakPolarHBondContact O-CG 3.22Å; E361-Q365 PolarHBondContact O-N 3.2Å; Q365-T368 PolarHBondContact O-N 3.49Å; Q365-F369 WeakPolarHBondContact O-CB 3.37Å; Q365-F369 PolarHBondContact O-N 3.01Å
366	L	92.8	Very high	90.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-47.2	171.8	173	57.1	0	0	0	112.2	L322 L326 P327 T362 F363 Q364 F369 K370 A391	L322-L366 HydrophobicContact CD2-CB 4.18Å; L322-L366 WeakPolarHBondContact O-CD1 3.27Å; L326-L366 HydrophobicContact CB-CD2 4.39Å; L326-L366 HydrophobicContact CD2-CB 4Å; L326-L366 HydrophobicContact CD2-CD2 3.92Å; L326-L366 HydrophobicContact CD2-CG 4.49Å; L326-L366 HydrophobicContact CG-CD2 3.89Å; P327-L366 HydrophobicContact CG-CD1 3.87Å; T362-L366 PolarHBondContact O-N 3.09Å; F363-L366 PolarHBondContact O-N 3.38Å; Q364-L366 VanDerWaalsContact C-N 3.3Å; Q364-L366 PolarHBondContact O-N 2.89Å; L366-F369 PolarHBondContact O-N 2.65Å; L366-K370 HydrophobicContact CD1-CG 3.88Å; L366-K370 WeakPolarHBondContact O-CG 3.24Å; L366-K370 PolarHBondContact O-N 3.27Å; L366-A391 HydrophobicContact CD2-CB 3.76Å; L366-A391 HydrophobicContact CG-CB 4.1Å
367	I	92.9	Very high	90.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-54.3	175.9	-68.5	165.7	0	0	0	109.7	F363 Q364 F369 K370 V371 V388 A391 L395 L474	F363-I367 WeakPolarHBondContact O-CG1 3.34Å; F363-I367 PolarHBondContact O-N 3.29Å; Q364-I367 PolarHBondContact O-N 2.96Å; I367-F369 PolarHBondContact O-N 2.85Å; I367-K370 PolarHBondContact O-N 3.09Å; I367-V371 HydrophobicContact CG2-CG2 4.27Å; I367-V371 WeakPolarHBondContact O-CB 3.4Å; I367-V371 VanDerWaalsContact O-CG2 3.24Å; I367-V371 WeakPolarHBondContact O-CG2 3.23Å; I367-V371 PolarHBondContact O-N 2.87Å; I367-V388 HydrophobicContact CG1-CG1 4.37Å; I367-V388 HydrophobicContact CG2-CG1 4.11Å; I367-A391 HydrophobicContact CD1-CB 4.25Å; I367-A391 HydrophobicContact CG1-CB 3.75Å; I367-L395 HydrophobicContact CD1-CD2 4.34Å; I367-L474 HydrophobicContact CG2-CB 4.27Å; I367-L474 HydrophobicContact CG2-CD2 4.4Å
368	T	92.1	Very high	89.2	Confident	38 Å²	38	46.8 Å²	46.8	23%	0.233	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.4	179.5	-61.8	0	0	0	0	112.3	Q364 Q365 K370 V371 I372 N471 P473	Q364-T368 WeakPolarHBondContact O-CB 3.1Å; Q364-T368 PolarHBondContact O-N 3.03Å; Q364-T368 PolarHBondContact O-OG1 3.29Å; Q365-T368 PolarHBondContact O-N 3.49Å; T368-K370 PolarHBondContact O-N 2.74Å; T368-V371 PolarHBondContact O-N 3.45Å; T368-I372 HydrophobicContact CG2-CD1 3.59Å; T368-I372 HydrophobicContact CG2-CG1 4.36Å; T368-I372 WeakPolarHBondContact O-CB 3.42Å; T368-I372 WeakPolarHBondContact O-CG1 3.39Å; T368-I372 PolarHBondContact O-N 2.95Å; T368-N471 PolarHBondContact OG1-ND2 2.79Å; T368-P473 HydrophobicContact CG2-CG 4.09Å
369	F	91.2	Very high	88.5	Confident	63 Å²	63	56.1 Å²	56.1	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-45.5	179.3	175.1	-104.1	0	0	0	111.3	L322 E323 Q365 L366 I367 S373	L322-F369 HydrophobicContact CB-CD1 4.37Å; E323-F369 HydrophobicContact CB-CE1 4.05Å; E323-F369 HydrophobicContact CB-CZ 4.26Å; E323-F369 HydrophobicContact CG-CE1 4.37Å; Q365-F369 WeakPolarHBondContact O-CB 3.37Å; Q365-F369 PolarHBondContact O-N 3.01Å; L366-F369 PolarHBondContact O-N 2.65Å; I367-F369 PolarHBondContact O-N 2.85Å; F369-S373 WeakPolarHBondContact O-CB 3.42Å; F369-S373 PolarHBondContact O-N 2.83Å; F369-S373 PolarHBondContact O-OG 3.32Å
370	K	90.8	Very high	88.2	Confident	30 Å²	30	59.4 Å²	59.4	13%	0.13	30%	0.299	C	S	.	.	H	α-helix	trans	-69.9	-36.2	176.7	-64.4	-63.9	179.8	-173.4	0	111.9	E323 L366 I367 T368 N374 A387 V388	E323-K370 PolarHBondContact O-NZ 3.09Å; E323-K370 VanDerWaalsContact O-NZ 3.07Å; L366-K370 HydrophobicContact CD1-CG 3.88Å; L366-K370 WeakPolarHBondContact O-CG 3.24Å; L366-K370 PolarHBondContact O-N 3.27Å; I367-K370 PolarHBondContact O-N 3.09Å; T368-K370 PolarHBondContact O-N 2.74Å; K370-N374 VanDerWaalsContact O-CB 3.29Å; K370-N374 WeakPolarHBondContact O-CB 3.35Å; K370-N374 PolarHBondContact O-N 3.39Å; K370-A387 HydrophobicContact CG-CB 4.4Å; K370-V388 HydrophobicContact CB-CG2 3.71Å
371	V	90.3	Very high	87.8	Confident	10 Å²	10	60 Å²	60	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-39.3	176.8	171.6	0	0	0	0	112.9	I367 T368 V382 V388 P473 L474 V477	I367-V371 HydrophobicContact CG2-CG2 4.27Å; I367-V371 WeakPolarHBondContact O-CB 3.4Å; I367-V371 VanDerWaalsContact O-CG2 3.24Å; I367-V371 WeakPolarHBondContact O-CG2 3.23Å; I367-V371 PolarHBondContact O-N 2.87Å; T368-V371 PolarHBondContact O-N 3.45Å; V371-V382 HydrophobicContact CG2-CG1 4.2Å; V371-V388 HydrophobicContact CG2-CG2 4.41Å; V371-P473 HydrophobicContact CG1-CB 4.01Å; V371-P473 WeakPolarHBondContact CG1-O 3.49Å; V371-L474 HydrophobicContact CG2-CD1 4.39Å; V371-V477 HydrophobicContact CG1-CB 4.35Å; V371-V477 HydrophobicContact CG1-CG2 3.9Å
372	I	89.4	Confident	87.7	Confident	125 Å²	125	56.4 Å²	56.4	64%	0.641	29%	0.285	S	S	*	.	H	α-helix	trans	-80.2	-33.1	178	-65.1	172.5	0	0	0	111.7	T368	T368-I372 HydrophobicContact CG2-CD1 3.59Å; T368-I372 HydrophobicContact CG2-CG1 4.36Å; T368-I372 WeakPolarHBondContact O-CB 3.42Å; T368-I372 WeakPolarHBondContact O-CG1 3.39Å; T368-I372 PolarHBondContact O-N 2.95Å
373	S	87.3	Confident	87.5	Confident	66 Å²	66	56.3 Å²	56.3	46%	0.462	29%	0.285	S	S	.	.	H	α-helix	trans	-82.1	-24.9	-176	-53.7	0	0	0	0	114	F369	F369-S373 WeakPolarHBondContact O-CB 3.42Å; F369-S373 PolarHBondContact O-N 2.83Å; F369-S373 PolarHBondContact O-OG 3.32Å
374	N	86.2	Confident	87.2	Confident	63 Å²	63	60 Å²	60	34%	0.337	31%	0.305	S	S	.	.	S	Bend	trans	-101.3	132.2	179.5	-70.9	-17.7	0	0	0	111.1	K370 F376 D385	K370-N374 VanDerWaalsContact O-CB 3.29Å; K370-N374 WeakPolarHBondContact O-CB 3.35Å; K370-N374 PolarHBondContact O-N 3.39Å; N374-F376 HydrophobicContact CB-CD2 4.17Å; N374-F376 HydrophobicContact CB-CE2 3.61Å; N374-F376 HydrophobicContact CB-CZ 3.86Å; N374-F376 WeakPolarHBondContact O-CD2 3.42Å; N374-F376 PolarHBondContact O-N 2.88Å; N374-F376 VanDerWaalsContact O-N 3.15Å; N374-D385 PolarHBondContact ND2-OD2 3.41Å
375	E	81.5	Confident	87	Confident	183 Å²	183	60.1 Å²	60.1	86%	0.855	31%	0.306	S	S	*	.			trans	-75.3	103	169.5	-69.9	-175	-178.7	0	0	110.6	N380	E375-N380 PolarHBondContact O-ND2 3.2Å
376	F	84.8	Confident	86.9	Confident	35 Å²	35	61.2 Å²	61.2	15%	0.154	31%	0.314	C	S	.	.			trans	-87.9	145.6	172	-69.9	-70.3	0	0	0	111.3	N374 N380 V382 D385 V477	N374-F376 HydrophobicContact CB-CD2 4.17Å; N374-F376 HydrophobicContact CB-CE2 3.61Å; N374-F376 HydrophobicContact CB-CZ 3.86Å; N374-F376 WeakPolarHBondContact O-CD2 3.42Å; N374-F376 PolarHBondContact O-N 2.88Å; N374-F376 VanDerWaalsContact O-N 3.15Å; F376-N380 WeakPolarHBondContact CA-O 3.47Å; F376-N380 WeakPolarHBondContact CD1-O 3.37Å; F376-V382 HydrophobicContact CB-CG2 4.25Å; F376-V382 HydrophobicContact CD1-CB 4.36Å; F376-V382 HydrophobicContact CD1-CG2 3.88Å; F376-V382 HydrophobicContact CD2-CG2 3.93Å; F376-V382 HydrophobicContact CE1-CB 4.25Å; F376-V382 HydrophobicContact CE1-CG1 4.42Å; F376-V382 HydrophobicContact CE1-CG2 4.2Å; F376-V382 HydrophobicContact CE2-CG1 4.32Å; F376-V382 HydrophobicContact CE2-CG2 4.23Å; F376-V382 HydrophobicContact CG-CG2 3.74Å; F376-V382 HydrophobicContact CZ-CB 4.41Å; F376-V382 HydrophobicContact CZ-CG1 4.11Å; F376-V382 HydrophobicContact CZ-CG2 4.36Å; F376-D385 HydrophobicContact CE1-CB 4.18Å; F376-D385 HydrophobicContact CZ-CB 4.01Å; F376-V477 HydrophobicContact CB-CG1 3.4Å; F376-V477 VanDerWaalsContact CB-CG1 3.4Å; F376-V477 HydrophobicContact CD2-CG1 4.02Å; F376-V477 HydrophobicContact CG-CG1 3.96Å
377	S	78.2	Confident	86.8	Confident	62 Å²	62	61.9 Å²	61.9	43%	0.434	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-158.4	171.5	-176.3	65.9	0	0	0	0	110.7	R379 N380	S377-R379 PolarHBondContact O-N 3.4Å; S377-N380 PolarHBondContact N-O 3.32Å; S377-N380 CarbonylContact O-C 3.54Å; S377-N380 PolarHBondContact O-N 3.44Å
378	S	73.3	Confident	86.8	Confident	75 Å²	75	61.9 Å²	61.9	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-11.8	178.6	63.5	0	0	0	0	116.8	E479 K482	S378-E479 VanDerWaalsContact CA-OE1 3.28Å; S378-E479 WeakPolarHBondContact CA-OE1 3.32Å; S378-E479 WeakPolarHBondContact CB-OE1 3.47Å; S378-E479 PolarHBondContact N-OE1 3.16Å; S378-K482 PolarHBondContact O-NZ 3.04Å
379	R	77.6	Confident	86.8	Confident	236 Å²	236	60.6 Å²	60.6	89%	0.891	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-20.1	172.9	-63.6	-176.6	-179.5	-179.9	1	114.9	S377	S377-R379 PolarHBondContact O-N 3.4Å
380	N	84.4	Confident	86.8	Confident	70 Å²	70	57.8 Å²	57.8	37%	0.374	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-123.6	97	178.7	-179.5	39.6	0	0	0	107.2	E375 F376 S377	E375-N380 PolarHBondContact O-ND2 3.2Å; F376-N380 WeakPolarHBondContact CA-O 3.47Å; F376-N380 WeakPolarHBondContact CD1-O 3.37Å; S377-N380 PolarHBondContact N-O 3.32Å; S377-N380 CarbonylContact O-C 3.54Å; S377-N380 PolarHBondContact O-N 3.44Å
381	L	87.1	Confident	87	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.089	29%	0.294	C	S	.	.			trans	-93.5	146.6	-172.8	-56.2	176.9	0	0	0	110.6	N383 D384 E479 K482 F486	L381-N383 HydrophobicContact CB-CB 4.24Å; L381-N383 PolarHBondContact O-N 3.41Å; L381-N383 VanDerWaalsContact O-N 3.16Å; L381-D384 PolarHBondContact O-N 2.76Å; L381-E479 VanDerWaalsContact CD2-OE2 3.23Å; L381-E479 WeakPolarHBondContact CD2-OE2 3.43Å; L381-K482 HydrophobicContact CD1-CB 4.4Å; L381-K482 HydrophobicContact CD1-CD 3.85Å; L381-K482 HydrophobicContact CD2-CD 3.84Å; L381-F486 HydrophobicContact CD1-CE2 3.77Å; L381-F486 HydrophobicContact CD1-CZ 3.71Å
382	V	89.1	Confident	87.2	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.018	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-59.1	-29	174.1	-160.7	0	0	0	0	111.8	V371 F376 D384 D385 V388 L474 V477 F497	V371-V382 HydrophobicContact CG2-CG1 4.2Å; F376-V382 HydrophobicContact CB-CG2 4.25Å; F376-V382 HydrophobicContact CD1-CB 4.36Å; F376-V382 HydrophobicContact CD1-CG2 3.88Å; F376-V382 HydrophobicContact CD2-CG2 3.93Å; F376-V382 HydrophobicContact CE1-CB 4.25Å; F376-V382 HydrophobicContact CE1-CG1 4.42Å; F376-V382 HydrophobicContact CE1-CG2 4.2Å; F376-V382 HydrophobicContact CE2-CG1 4.32Å; F376-V382 HydrophobicContact CE2-CG2 4.23Å; F376-V382 HydrophobicContact CG-CG2 3.74Å; F376-V382 HydrophobicContact CZ-CB 4.41Å; F376-V382 HydrophobicContact CZ-CG1 4.11Å; F376-V382 HydrophobicContact CZ-CG2 4.36Å; V382-D384 PolarHBondContact O-N 3.12Å; V382-D385 PolarHBondContact O-N 3.26Å; V382-D385 VanDerWaalsContact O-N 3.13Å; V382-V388 HydrophobicContact CG1-CB 4.19Å; V382-V388 HydrophobicContact CG1-CG1 3.75Å; V382-V388 HydrophobicContact CG1-CG2 4.25Å; V382-L474 HydrophobicContact CB-CD1 4.24Å; V382-L474 HydrophobicContact CG1-CD1 3.63Å; V382-V477 HydrophobicContact CG2-CB 4.25Å; V382-V477 HydrophobicContact CG2-CG1 3.54Å; V382-F497 HydrophobicContact CB-CE2 4.28Å; V382-F497 HydrophobicContact CB-CZ 4.45Å; V382-F497 HydrophobicContact CG1-CE2 4.4Å; V382-F497 HydrophobicContact CG1-CZ 4.09Å
383	N	88.9	Confident	87.4	Confident	7 Å²	7	53.7 Å²	53.7	4%	0.037	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-58.1	-22.9	173.1	-60.3	81.7	0	0	0	114.9	L381 D483 F486 F495	L381-N383 HydrophobicContact CB-CB 4.24Å; L381-N383 PolarHBondContact O-N 3.41Å; L381-N383 VanDerWaalsContact O-N 3.16Å; N383-D483 PolarHBondContact ND2-OD1 3.24Å; N383-F486 HydrophobicContact CB-CD2 4.2Å; N383-F486 HydrophobicContact CB-CE2 4.02Å; N383-F495 PolarHBondContact ND2-O 3.29Å
384	D	87.7	Confident	87.7	Confident	77 Å²	77	50.6 Å²	50.6	41%	0.412	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.2	-3.5	-178.8	-66	-34.8	0	0	0	112.5	L381 V382 D386 K494	L381-D384 PolarHBondContact O-N 2.76Å; V382-D384 PolarHBondContact O-N 3.12Å; D384-D386 PolarHBondContact O-N 3.4Å; D384-K494 IonicContact OD1-NZ 3.94Å; D384-K494 PolarHBondContact OD1-NZ 3.05Å; D384-K494 IonicContact OD2-NZ 2.67Å; D384-K494 PolarHBondContact OD2-NZ 3.09Å
385	D	90.2	Very high	88.1	Confident	27 Å²	27	47.6 Å²	47.6	14%	0.144	24%	0.239	C	C	.	.			trans	-83.6	103.2	175	-170.2	-58.4	0	0	0	110.9	N374 F376 V382 A387 V388 V389	N374-D385 PolarHBondContact ND2-OD2 3.41Å; F376-D385 HydrophobicContact CE1-CB 4.18Å; F376-D385 HydrophobicContact CZ-CB 4.01Å; V382-D385 PolarHBondContact O-N 3.26Å; V382-D385 VanDerWaalsContact O-N 3.13Å; D385-A387 PolarHBondContact O-N 2.76Å; D385-A387 VanDerWaalsContact O-N 3.12Å; D385-A387 WeakPolarHBondContact OD1-CA 3.39Å; D385-A387 VanDerWaalsContact OD1-CB 3.31Å; D385-A387 WeakPolarHBondContact OD1-CB 3.35Å; D385-A387 PolarHBondContact OD1-N 3.48Å; D385-V388 HydrophobicContact CB-CB 4.2Å; D385-V388 HydrophobicContact CB-CG2 4.13Å; D385-V388 PolarHBondContact O-N 3.34Å; D385-V388 PolarHBondContact OD1-N 3.3Å; D385-V389 WeakPolarHBondContact O-CB 3.47Å; D385-V389 VanDerWaalsContact O-CG2 3.3Å; D385-V389 WeakPolarHBondContact O-CG2 3.28Å; D385-V389 PolarHBondContact O-N 3.4Å
386	D	88.9	Confident	88.7	Confident	99 Å²	99	40.3 Å²	40.3	53%	0.529	20%	0.204	S	C	.	.	H	α-helix	trans	-50.1	-35.1	178	-106.9	4.6	0	0	0	113.4	K331 D384 A390	K331-D386 IonicContact NZ-OD2 2.73Å; K331-D386 PolarHBondContact NZ-OD2 2.71Å; D384-D386 PolarHBondContact O-N 3.4Å; D386-A390 WeakPolarHBondContact O-CB 3.34Å; D386-A390 PolarHBondContact O-N 3.49Å
387	A	91.1	Very high	89.1	Confident	13 Å²	13	38.7 Å²	38.7	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-77	-45.3	-176.8	0	0	0	0	0	111.4	P327 K370 D385 A390 A391	P327-A387 HydrophobicContact CB-CB 3.91Å; K370-A387 HydrophobicContact CG-CB 4.4Å; D385-A387 PolarHBondContact O-N 2.76Å; D385-A387 VanDerWaalsContact O-N 3.12Å; D385-A387 WeakPolarHBondContact OD1-CA 3.39Å; D385-A387 VanDerWaalsContact OD1-CB 3.31Å; D385-A387 WeakPolarHBondContact OD1-CB 3.35Å; D385-A387 PolarHBondContact OD1-N 3.48Å; A387-A390 PolarHBondContact O-N 3.06Å; A387-A391 VanDerWaalsContact O-CB 3.26Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.87Å
388	V	92.6	Very high	89.8	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.7	-43.4	175.7	179.1	0	0	0	0	110.7	I367 K370 V371 V382 D385 A391 T392 L474 F497	I367-V388 HydrophobicContact CG1-CG1 4.37Å; I367-V388 HydrophobicContact CG2-CG1 4.11Å; K370-V388 HydrophobicContact CB-CG2 3.71Å; V371-V388 HydrophobicContact CG2-CG2 4.41Å; V382-V388 HydrophobicContact CG1-CB 4.19Å; V382-V388 HydrophobicContact CG1-CG1 3.75Å; V382-V388 HydrophobicContact CG1-CG2 4.25Å; D385-V388 HydrophobicContact CB-CB 4.2Å; D385-V388 HydrophobicContact CB-CG2 4.13Å; D385-V388 PolarHBondContact O-N 3.34Å; D385-V388 PolarHBondContact OD1-N 3.3Å; V388-A391 PolarHBondContact O-N 3.03Å; V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.29Å; V388-T392 PolarHBondContact O-OG1 2.83Å; V388-L474 HydrophobicContact CG1-CD1 4.41Å; V388-F497 HydrophobicContact CG1-CE1 4.07Å; V388-F497 HydrophobicContact CG1-CZ 3.93Å
389	V	92.4	Very high	90.8	Very high	12 Å²	12	32.7 Å²	32.7	7%	0.073	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-43.6	177.2	171.8	0	0	0	0	111.5	D385 K393 F495	D385-V389 WeakPolarHBondContact O-CB 3.47Å; D385-V389 VanDerWaalsContact O-CG2 3.3Å; D385-V389 WeakPolarHBondContact O-CG2 3.28Å; D385-V389 PolarHBondContact O-N 3.4Å; V389-K393 HydrophobicContact CG1-CD 4.24Å; V389-K393 WeakPolarHBondContact O-CG 3.47Å; V389-K393 PolarHBondContact O-N 3.15Å; V389-K393 VanDerWaalsContact O-N 3.1Å; V389-F495 HydrophobicContact CB-CD1 4.25Å; V389-F495 HydrophobicContact CB-CG 4.39Å; V389-F495 HydrophobicContact CG1-CB 3.78Å; V389-F495 HydrophobicContact CG1-CD1 3.86Å; V389-F495 HydrophobicContact CG1-CD2 3.9Å; V389-F495 HydrophobicContact CG1-CE1 4.38Å; V389-F495 HydrophobicContact CG1-CE2 4.43Å; V389-F495 HydrophobicContact CG1-CG 3.56Å; V389-F495 HydrophobicContact CG2-CB 3.92Å; V389-F495 HydrophobicContact CG2-CD1 3.67Å; V389-F495 HydrophobicContact CG2-CE1 4.46Å; V389-F495 HydrophobicContact CG2-CG 3.99Å
390	A	92	Very high	91.5	Very high	3 Å²	3	22 Å²	22	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-67.1	-43.9	177.9	0	0	0	0	0	112.2	C330 K331 D386 A387 T392 K393 C394	C330-A390 HydrophobicContact CB-CB 3.95Å; K331-A390 HydrophobicContact CB-CB 4.33Å; D386-A390 WeakPolarHBondContact O-CB 3.34Å; D386-A390 PolarHBondContact O-N 3.49Å; A387-A390 PolarHBondContact O-N 3.06Å; A390-T392 VanDerWaalsContact C-N 3.34Å; A390-T392 PolarHBondContact O-N 3.17Å; A390-K393 PolarHBondContact O-N 2.92Å; A390-C394 PolarHBondContact O-N 3.34Å; A390-C394 PolarHBondContact O-SG 3.22Å
391	A	94.4	Very high	91.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.4	-42.4	176	0	0	0	0	0	111.7	L366 I367 A387 V388 K393 C394 L395	L366-A391 HydrophobicContact CD2-CB 3.76Å; L366-A391 HydrophobicContact CG-CB 4.1Å; I367-A391 HydrophobicContact CD1-CB 4.25Å; I367-A391 HydrophobicContact CG1-CB 3.75Å; A387-A391 VanDerWaalsContact O-CB 3.26Å; A387-A391 WeakPolarHBondContact O-CB 3.2Å; A387-A391 PolarHBondContact O-N 2.87Å; V388-A391 PolarHBondContact O-N 3.03Å; A391-K393 PolarHBondContact O-N 2.88Å; A391-C394 WeakPolarHBondContact O-CB 3.49Å; A391-C394 PolarHBondContact O-N 3.38Å; A391-C394 VanDerWaalsContact O-N 3.12Å; A391-L395 WeakPolarHBondContact O-CB 3.45Å; A391-L395 PolarHBondContact O-N 3.48Å
392	T	94.2	Very high	92.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.1	-43.8	175.4	-59.8	0	0	0	0	112	V388 A390 C394 L395 K396 F495 F497 C500 V503	V388-T392 WeakPolarHBondContact O-CB 3.39Å; V388-T392 PolarHBondContact O-N 3.29Å; V388-T392 PolarHBondContact O-OG1 2.83Å; A390-T392 VanDerWaalsContact C-N 3.34Å; A390-T392 PolarHBondContact O-N 3.17Å; T392-C394 VanDerWaalsContact C-N 3.3Å; T392-C394 PolarHBondContact O-N 2.95Å; T392-L395 PolarHBondContact O-N 2.88Å; T392-K396 PolarHBondContact O-N 3.48Å; T392-K396 VanDerWaalsContact O-N 3.09Å; T392-F495 HydrophobicContact CG2-CE1 4.16Å; T392-F495 HydrophobicContact CG2-CZ 4.02Å; T392-F497 HydrophobicContact CG2-CD1 4.13Å; T392-F497 HydrophobicContact CG2-CE1 4.28Å; T392-C500 HydrophobicContact CG2-CB 3.85Å; T392-V503 HydrophobicContact CG2-CG2 4.16Å
393	K	92.6	Very high	92.2	Very high	79 Å²	79	17.7 Å²	17.7	34%	0.343	9%	0.091	S	C	.	.	H	α-helix	trans	-65.8	-30.8	175.1	-71.7	170.1	-178.1	173.9	0	112.9	V389 A390 A391 K396 F495	V389-K393 HydrophobicContact CG1-CD 4.24Å; V389-K393 WeakPolarHBondContact O-CG 3.47Å; V389-K393 PolarHBondContact O-N 3.15Å; V389-K393 VanDerWaalsContact O-N 3.1Å; A390-K393 PolarHBondContact O-N 2.92Å; A391-K393 PolarHBondContact O-N 2.88Å; K393-K396 WeakPolarHBondContact O-CB 3.46Å; K393-F495 HydrophobicContact CG-CE2 4.22Å
394	C	93.9	Very high	92.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-73.6	-44.3	174.5	-64	0	0	0	0	111.7	C330 M333 F363 A390 A391 T392 K396 I397	C330-C394 PolarHBondContact O-SG 3.28Å; M333-C394 HydrophobicContact CE-CB 3.61Å; M333-C394 HydrophobicContact SD-CB 4.23Å; F363-C394 HydrophobicContact CD1-CB 3.83Å; F363-C394 HydrophobicContact CD2-CB 4.45Å; F363-C394 HydrophobicContact CE1-CB 3.49Å; F363-C394 VanDerWaalsContact CE1-CB 3.49Å; F363-C394 HydrophobicContact CE2-CB 4.15Å; F363-C394 HydrophobicContact CG-CB 4.31Å; F363-C394 HydrophobicContact CZ-CB 3.68Å; A390-C394 PolarHBondContact O-N 3.34Å; A390-C394 PolarHBondContact O-SG 3.22Å; A391-C394 WeakPolarHBondContact O-CB 3.49Å; A391-C394 PolarHBondContact O-N 3.38Å; A391-C394 VanDerWaalsContact O-N 3.12Å; T392-C394 VanDerWaalsContact C-N 3.3Å; T392-C394 PolarHBondContact O-N 2.95Å; C394-K396 PolarHBondContact O-N 2.85Å; C394-I397 WeakPolarHBondContact O-CB 3.25Å; C394-I397 PolarHBondContact O-N 3.22Å
395	L	94.9	Very high	92.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.3	-32.9	176.5	-175.6	62	0	0	0	112	M360 F363 Q364 I367 A391 T392 I397 V398 Y399 F469 F502 V503	M360-L395 HydrophobicContact CB-CD1 4.16Å; M360-L395 HydrophobicContact CG-CD1 3.88Å; F363-L395 HydrophobicContact CB-CB 4.06Å; F363-L395 HydrophobicContact CB-CD1 4.21Å; Q364-L395 HydrophobicContact CG-CD2 3.94Å; I367-L395 HydrophobicContact CD1-CD2 4.34Å; A391-L395 WeakPolarHBondContact O-CB 3.45Å; A391-L395 PolarHBondContact O-N 3.48Å; T392-L395 PolarHBondContact O-N 2.88Å; L395-I397 VanDerWaalsContact C-N 3.29Å; L395-I397 PolarHBondContact O-N 2.97Å; L395-V398 WeakPolarHBondContact O-CB 3.42Å; L395-V398 PolarHBondContact O-N 3.25Å; L395-V398 VanDerWaalsContact O-N 3.14Å; L395-Y399 PolarHBondContact O-N 2.91Å; L395-F469 HydrophobicContact CD1-CD1 4.01Å; L395-F469 HydrophobicContact CD1-CE1 4.08Å; L395-F469 HydrophobicContact CG-CD1 4.29Å; L395-F502 HydrophobicContact CB-CE2 4.28Å; L395-F502 HydrophobicContact CD2-CE2 4Å; L395-F502 HydrophobicContact CG-CE2 3.83Å; L395-V503 HydrophobicContact CD2-CG2 4.2Å
396	K	93.4	Very high	92	Very high	30 Å²	30	16.4 Å²	16.4	13%	0.13	9%	0.094	C	C	.	.	H	α-helix	trans	-55	-40.6	172	-179.5	173.7	159.5	175.8	0	113.2	T392 K393 C394 V398 Y399 Y400 D446 L448 F502	T392-K396 PolarHBondContact O-N 3.48Å; T392-K396 VanDerWaalsContact O-N 3.09Å; K393-K396 WeakPolarHBondContact O-CB 3.46Å; C394-K396 PolarHBondContact O-N 2.85Å; K396-V398 VanDerWaalsContact C-N 3.34Å; K396-Y399 WeakPolarHBondContact O-CB 3.41Å; K396-Y399 PolarHBondContact O-N 2.81Å; K396-Y400 HydrophobicContact CD-CE2 4.43Å; K396-Y400 HydrophobicContact CG-CD2 3.97Å; K396-Y400 HydrophobicContact CG-CE2 3.83Å; K396-Y400 VanDerWaalsContact O-CD2 3.3Å; K396-Y400 WeakPolarHBondContact O-CD2 3.42Å; K396-Y400 PolarHBondContact O-N 3.38Å; K396-D446 VanDerWaalsContact CE-OD1 3.27Å; K396-D446 WeakPolarHBondContact CE-OD1 3.47Å; K396-D446 VanDerWaalsContact CE-OD2 3.25Å; K396-D446 WeakPolarHBondContact CE-OD2 3.43Å; K396-D446 IonicContact NZ-OD1 3.64Å; K396-D446 PolarHBondContact NZ-OD1 2.76Å; K396-D446 IonicContact NZ-OD2 3.56Å; K396-D446 PolarHBondContact NZ-OD2 3.14Å; K396-L448 HydrophobicContact CG-CD2 4.4Å; K396-F502 HydrophobicContact CB-CE1 3.73Å; K396-F502 HydrophobicContact CB-CZ 3.58Å; K396-F502 HydrophobicContact CD-CE1 4.47Å; K396-F502 HydrophobicContact CG-CE1 3.9Å; K396-F502 HydrophobicContact CG-CZ 4.28Å
397	I	93.6	Very high	91.8	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-66.4	-40.8	178.7	-55.1	178	0	0	0	109.9	M333 Q341 L344 T345 W348 C394 L395 A401	M333-I397 HydrophobicContact CE-CD1 3.88Å; Q341-I397 HydrophobicContact CB-CD1 3.97Å; Q341-I397 HydrophobicContact CB-CG1 4.33Å; Q341-I397 HydrophobicContact CG-CD1 3.78Å; L344-I397 HydrophobicContact CB-CG2 4.46Å; L344-I397 HydrophobicContact CD2-CG2 4.48Å; L344-I397 HydrophobicContact CG-CG2 4.47Å; T345-I397 WeakPolarHBondContact OG1-CG2 3.28Å; W348-I397 HydrophobicContact CE3-CG2 3.8Å; W348-I397 HydrophobicContact CZ3-CB 4.08Å; W348-I397 HydrophobicContact CZ3-CG2 3.56Å; C394-I397 WeakPolarHBondContact O-CB 3.25Å; C394-I397 PolarHBondContact O-N 3.22Å; L395-I397 VanDerWaalsContact C-N 3.29Å; L395-I397 PolarHBondContact O-N 2.97Å; I397-A401 PolarHBondContact O-N 3.43Å; I397-A401 VanDerWaalsContact O-N 3.1Å
398	V	94.3	Very high	91.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-38.6	174.8	-174.5	0	0	0	0	111.5	W348 I356 M359 M360 F363 L395 K396 A401 N402 F469	W348-V398 HydrophobicContact CE3-CG2 4.31Å; W348-V398 HydrophobicContact CZ3-CG2 4Å; I356-V398 HydrophobicContact CG2-CG1 3.79Å; M359-V398 HydrophobicContact CB-CG1 4.27Å; M359-V398 HydrophobicContact CB-CG2 4.31Å; M359-V398 HydrophobicContact CE-CG2 4.13Å; M360-V398 HydrophobicContact CB-CG1 4.38Å; F363-V398 HydrophobicContact CD2-CG2 3.99Å; F363-V398 HydrophobicContact CE2-CG2 3.71Å; L395-V398 WeakPolarHBondContact O-CB 3.42Å; L395-V398 PolarHBondContact O-N 3.25Å; L395-V398 VanDerWaalsContact O-N 3.14Å; K396-V398 VanDerWaalsContact C-N 3.34Å; V398-A401 WeakPolarHBondContact O-CB 3.22Å; V398-A401 PolarHBondContact O-N 3.25Å; V398-N402 WeakPolarHBondContact O-CB 3.37Å; V398-N402 PolarHBondContact O-N 2.85Å; V398-F469 HydrophobicContact CG1-CE1 4.4Å
399	Y	93.7	Very high	90.5	Very high	11 Å²	11	16.3 Å²	16.3	4%	0.043	9%	0.092	C	C	.	.	H	α-helix	trans	-62.7	-45.3	176.5	173.5	-96.3	0	0	0	112.6	L395 K396 A401 N402 V403 T456 F466 F469 F502	L395-Y399 PolarHBondContact O-N 2.91Å; K396-Y399 WeakPolarHBondContact O-CB 3.41Å; K396-Y399 PolarHBondContact O-N 2.81Å; Y399-A401 VanDerWaalsContact C-N 3.31Å; Y399-A401 PolarHBondContact O-N 3.12Å; Y399-N402 WeakPolarHBondContact O-CB 3.14Å; Y399-N402 PolarHBondContact O-N 3.19Å; Y399-V403 HydrophobicContact CE1-CG2 4.22Å; Y399-V403 WeakPolarHBondContact O-CG2 3.34Å; Y399-V403 PolarHBondContact O-N 3.2Å; Y399-T456 HydrophobicContact CE1-CG2 3.67Å; Y399-F466 HydrophobicContact CD2-CD1 4.49Å; Y399-F466 AromaticContact CE2-CD1 3.59Å; Y399-F466 HydrophobicContact CE2-CD1 3.59Å; Y399-F466 AromaticContact CE2-CE1 3.91Å; Y399-F466 HydrophobicContact CE2-CE1 3.91Å; Y399-F469 HydrophobicContact CD2-CB 4.45Å; Y399-F469 AromaticContact CD2-CD1 3.89Å; Y399-F469 HydrophobicContact CD2-CD1 3.89Å; Y399-F469 HydrophobicContact CD2-CD2 4.33Å; Y399-F469 HydrophobicContact CD2-CE1 4.22Å; Y399-F469 AromaticContact CD2-CG 3.95Å; Y399-F469 HydrophobicContact CD2-CG 3.95Å; Y399-F469 HydrophobicContact CG-CD1 4.42Å; Y399-F502 HydrophobicContact CD1-CB 4.17Å; Y399-F502 AromaticContact CD1-CD1 3.86Å; Y399-F502 HydrophobicContact CD1-CD1 3.86Å; Y399-F502 AromaticContact CD1-CG 3.98Å; Y399-F502 HydrophobicContact CD1-CG 3.98Å; Y399-F502 HydrophobicContact CD2-CB 3.5Å; Y399-F502 VanDerWaalsContact CD2-CB 3.5Å; Y399-F502 HydrophobicContact CD2-CD1 4.46Å; Y399-F502 HydrophobicContact CD2-CD2 4.04Å; Y399-F502 AromaticContact CD2-CG 3.74Å; Y399-F502 HydrophobicContact CD2-CG 3.74Å; Y399-F502 HydrophobicContact CE1-CB 4.02Å; Y399-F502 HydrophobicContact CE1-CD1 4.19Å; Y399-F502 HydrophobicContact CE1-CG 4.28Å; Y399-F502 HydrophobicContact CE2-CB 3.31Å; Y399-F502 HydrophobicContact CE2-CG 4.06Å; Y399-F502 HydrophobicContact CG-CB 3.92Å; Y399-F502 HydrophobicContact CG-CD1 4.01Å; Y399-F502 HydrophobicContact CG-CD2 4.02Å; Y399-F502 AromaticContact CG-CG 3.7Å; Y399-F502 HydrophobicContact CG-CG 3.7Å
400	Y	91.9	Very high	89.1	Confident	11 Å²	11	21.7 Å²	21.7	4%	0.043	13%	0.125	C	C	.	.	H	α-helix	trans	-68.6	-28.9	174.1	-77	-79.8	0	0	0	112.6	T345 K396 V403 I404 D446 L448 E449 L452 T456	T345-Y400 VanDerWaalsContact CG2-C 3.44Å; K396-Y400 HydrophobicContact CD-CE2 4.43Å; K396-Y400 HydrophobicContact CG-CD2 3.97Å; K396-Y400 HydrophobicContact CG-CE2 3.83Å; K396-Y400 VanDerWaalsContact O-CD2 3.3Å; K396-Y400 WeakPolarHBondContact O-CD2 3.42Å; K396-Y400 PolarHBondContact O-N 3.38Å; Y400-V403 PolarHBondContact O-N 2.76Å; Y400-I404 WeakPolarHBondContact O-CG1 3.16Å; Y400-I404 PolarHBondContact O-N 2.73Å; Y400-D446 WeakPolarHBondContact OH-CB 3.32Å; Y400-L448 HydrophobicContact CD2-CD2 3.72Å; Y400-L448 HydrophobicContact CD2-CG 4.24Å; Y400-L448 HydrophobicContact CE2-CD2 4.18Å; Y400-L448 HydrophobicContact CG-CD2 4.42Å; Y400-E449 HydrophobicContact CE1-CB 4.01Å; Y400-E449 HydrophobicContact CE1-CG 4.09Å; Y400-L452 HydrophobicContact CD1-CD1 4.06Å; Y400-L452 HydrophobicContact CG-CD1 3.98Å; Y400-T456 HydrophobicContact CE1-CG2 3.81Å
401	A	91.9	Very high	87.7	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-40.5	173.2	0	0	0	0	0	111.5	T345 W348 I356 I397 V398 Y399 V403 I404 G405	T345-A401 HydrophobicContact CG2-CB 4.04Å; T345-A401 VanDerWaalsContact CG2-N 3.29Å; W348-A401 HydrophobicContact CB-CB 3.66Å; I356-A401 HydrophobicContact CD1-CB 4.31Å; I397-A401 PolarHBondContact O-N 3.43Å; I397-A401 VanDerWaalsContact O-N 3.1Å; V398-A401 WeakPolarHBondContact O-CB 3.22Å; V398-A401 PolarHBondContact O-N 3.25Å; Y399-A401 VanDerWaalsContact C-N 3.31Å; Y399-A401 PolarHBondContact O-N 3.12Å; A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.3Å; A401-I404 PolarHBondContact O-N 2.91Å; A401-G405 PolarHBondContact O-N 2.94Å
402	N	93.8	Very high	85.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.4	-36.8	172.9	-179.4	55.9	0	0	0	113.2	I356 V398 Y399 G406 L463 I464 F469	I356-N402 HydrophobicContact CG2-CB 4.1Å; V398-N402 WeakPolarHBondContact O-CB 3.37Å; V398-N402 PolarHBondContact O-N 2.85Å; Y399-N402 WeakPolarHBondContact O-CB 3.14Å; Y399-N402 PolarHBondContact O-N 3.19Å; N402-G406 PolarHBondContact O-N 3.09Å; N402-L463 PolarHBondContact O-N 2.97Å; N402-L463 VanDerWaalsContact OD1-CB 3.32Å; N402-L463 WeakPolarHBondContact OD1-CB 3.34Å; N402-L463 PolarHBondContact OD1-N 2.99Å; N402-I464 PolarHBondContact ND2-O 3.41Å; N402-I464 WeakPolarHBondContact OD1-CB 3.38Å; N402-I464 PolarHBondContact OD1-N 2.95Å; N402-F469 HydrophobicContact CB-CE2 4.16Å; N402-F469 HydrophobicContact CB-CZ 3.77Å; N402-F469 WeakPolarHBondContact ND2-CE2 3.37Å
403	V	90.7	Very high	84.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-47.7	173.5	161.2	0	0	0	0	111.5	Y399 Y400 A401 G406 L408 V454 C459 F466	Y399-V403 HydrophobicContact CE1-CG2 4.22Å; Y399-V403 WeakPolarHBondContact O-CG2 3.34Å; Y399-V403 PolarHBondContact O-N 3.2Å; Y400-V403 PolarHBondContact O-N 2.76Å; A401-V403 VanDerWaalsContact C-N 3.32Å; A401-V403 PolarHBondContact O-N 3.3Å; V403-G406 PolarHBondContact O-N 3.4Å; V403-L408 HydrophobicContact CG1-CD2 4.16Å; V403-V454 HydrophobicContact CG1-CG1 3.96Å; V403-C459 HydrophobicContact CG1-CB 4.13Å; V403-F466 HydrophobicContact CG2-CE1 3.81Å; V403-F466 HydrophobicContact CG2-CZ 4.27Å
404	I	89.8	Confident	83.2	Confident	36 Å²	36	34.9 Å²	34.9	19%	0.185	19%	0.193	C	C	.	.	H	α-helix	trans	-74.3	-36	-175.1	-67	173.2	0	0	0	112.6	T345 Y400 A401 G406 L452 V454	T345-I404 HydrophobicContact CG2-CD1 4.06Å; Y400-I404 WeakPolarHBondContact O-CG1 3.16Å; Y400-I404 PolarHBondContact O-N 2.73Å; A401-I404 PolarHBondContact O-N 2.91Å; I404-G406 PolarHBondContact O-N 3.02Å; I404-L452 HydrophobicContact CD1-CB 4.36Å; I404-L452 HydrophobicContact CD1-CD1 4.06Å; I404-L452 HydrophobicContact CD1-CD2 3.87Å; I404-L452 HydrophobicContact CD1-CG 4.33Å; I404-V454 HydrophobicContact CD1-CG2 4.43Å; I404-V454 HydrophobicContact CG1-CB 4.38Å; I404-V454 HydrophobicContact CG1-CG1 4.18Å; I404-V454 HydrophobicContact CG1-CG2 4.24Å
405	G	85.9	Confident	81.6	Confident	26 Å²	26	35.9 Å²	35.9	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.3	176.2	0	0	0	0	0	114.1	S349 A401 L463	S349-G405 VanDerWaalsContact O-CA 3.26Å; S349-G405 WeakPolarHBondContact O-CA 3.38Å; A401-G405 PolarHBondContact O-N 2.94Å; G405-L463 WeakPolarHBondContact O-CG 3.24Å
406	G	86.9	Confident	79.5	Confident	21 Å²	21	44.4 Å²	44.4	22%	0.216	24%	0.238	C	C	.	.	S	Bend	trans	-84.8	-171.9	175.5	0	0	0	0	0	113.9	N402 V403 I404 L408 R461	N402-G406 PolarHBondContact O-N 3.09Å; V403-G406 PolarHBondContact O-N 3.4Å; I404-G406 PolarHBondContact O-N 3.02Å; G406-L408 PolarHBondContact O-N 2.91Å; G406-L408 VanDerWaalsContact O-N 3.17Å; G406-R461 CarbonylContact C-O 3.6Å; G406-R461 VanDerWaalsContact CA-O 3.32Å; G406-R461 WeakPolarHBondContact CA-O 3.24Å
407	D	84.4	Confident	77.4	Confident	59 Å²	59	47.5 Å²	47.5	32%	0.316	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	91.6	175.2	-172.1	7.7	0	0	0	110.2	R460 R461 R669	D407-R460 PolarHBondContact O-N 3.41Å; D407-R461 HydrophobicContact CB-CB 4.02Å; D407-R461 PolarHBondContact N-O 3.03Å; D407-R461 PolarHBondContact O-N 2.82Å; D407-R669 VanDerWaalsContact CG-NH2 3.35Å; D407-R669 IonicContact OD1-CZ 3.7Å; D407-R669 IonicContact OD1-NH1 3.67Å; D407-R669 PolarHBondContact OD1-NH1 3.42Å; D407-R669 IonicContact OD1-NH2 2.87Å; D407-R669 PolarHBondContact OD1-NH2 2.84Å; D407-R669 IonicContact OD2-CZ 3.51Å; D407-R669 IonicContact OD2-NH1 2.73Å; D407-R669 PolarHBondContact OD2-NH1 3.08Å; D407-R669 VanDerWaalsContact OD2-NH1 3.17Å; D407-R669 IonicContact OD2-NH2 3.42Å; D407-R669 PolarHBondContact OD2-NH2 3.32Å; D407-R669 VanDerWaalsContact OD2-NH2 3.14Å
408	L	82.9	Confident	75.3	Confident	38 Å²	38	52.6 Å²	52.6	20%	0.199	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	137.3	175.1	-73.1	175.1	0	0	0	112.1	V403 G406 T410 V454 D458 C459	V403-L408 HydrophobicContact CG1-CD2 4.16Å; G406-L408 PolarHBondContact O-N 2.91Å; G406-L408 VanDerWaalsContact O-N 3.17Å; L408-T410 PolarHBondContact O-N 3.08Å; L408-T410 VanDerWaalsContact O-N 3.14Å; L408-V454 HydrophobicContact CD1-CG1 4Å; L408-V454 HydrophobicContact CD1-CG2 4.35Å; L408-V454 HydrophobicContact CD2-CG1 3.69Å; L408-D458 HydrophobicContact CD2-CB 4.33Å; L408-C459 HydrophobicContact CD2-CB 4.04Å
409	D	72.8	Confident	72.9	Confident	14 Å²	14	58.6 Å²	58.6	8%	0.075	31%	0.307	C	S	.	.			trans	-76.3	90.5	167.6	-151.8	-10	0	0	0	108.5	E411 D458 R460 R659	D409-E411 PolarHBondContact O-N 2.74Å; D409-D458 VanDerWaalsContact CB-O 3.27Å; D409-D458 WeakPolarHBondContact CB-O 3.48Å; D409-D458 PolarHBondContact N-O 3.08Å; D409-R460 HydrophobicContact CB-CG 4.17Å; D409-R460 IonicContact OD2-CZ 3.42Å; D409-R460 IonicContact OD2-NE 4Å; D409-R460 PolarHBondContact OD2-NE 2.64Å; D409-R460 IonicContact OD2-NH2 3.39Å; D409-R460 PolarHBondContact OD2-NH2 3.47Å; D409-R659 IonicContact OD2-NH2 2.69Å; D409-R659 PolarHBondContact OD2-NH2 2.87Å
410	T	64	Low	70.2	Confident	124 Å²	124	63.7 Å²	63.7	76%	0.761	34%	0.342	S	S	*	.			trans	-72.6	-11.9	-175.5	53	0	0	0	0	114.2	L408 N412	L408-T410 PolarHBondContact O-N 3.08Å; L408-T410 VanDerWaalsContact O-N 3.14Å; T410-N412 PolarHBondContact O-N 2.95Å
411	E	60.8	Low	67.9	Low	110 Å²	110	67.7 Å²	67.7	51%	0.514	36%	0.363	S	S	.	.	S	Bend	trans	-75.8	107.5	170.8	-63.9	178.1	-173.5	0	0	108.2	D409 N413	D409-E411 PolarHBondContact O-N 2.74Å; E411-N413 WeakPolarHBondContact CB-ND2 3.24Å; E411-N413 WeakPolarHBondContact O-CB 3.44Å; E411-N413 PolarHBondContact O-N 2.91Å; E411-N413 PolarHBondContact OE2-ND2 3.25Å
412	N	57.7	Low	65.2	Low	124 Å²	124	73.1 Å²	73.1	66%	0.663	40%	0.398	S	S	*	.			trans	-67.8	72.9	174.5	-82.1	-20.9	0	0	0	110.6	T410 E414	T410-N412 PolarHBondContact O-N 2.95Å; N412-E414 VanDerWaalsContact C-N 3.26Å; N412-E414 PolarHBondContact O-N 3Å; N412-E414 VanDerWaalsContact O-N 3.08Å
413	N	63.4	Low	62.4	Low	43 Å²	43	81.4 Å²	81.4	23%	0.23	44%	0.437	C	S	.	.			trans	-88.8	56	-168.7	-90.3	-28.3	0	0	0	110.7	E411 K664 K665 T667	E411-N413 WeakPolarHBondContact CB-ND2 3.24Å; E411-N413 WeakPolarHBondContact O-CB 3.44Å; E411-N413 PolarHBondContact O-N 2.91Å; E411-N413 PolarHBondContact OE2-ND2 3.25Å; N413-K664 CarbonylContact O-C 3.54Å; N413-K664 WeakPolarHBondContact O-CA 3.25Å; N413-K665 HydrophobicContact CB-CB 4.06Å; N413-K665 PolarHBondContact O-N 3.31Å; N413-T667 HydrophobicContact CB-CG2 4.49Å; N413-T667 VanDerWaalsContact ND2-CG2 3.28Å; N413-T667 WeakPolarHBondContact ND2-CG2 3.37Å
414	E	66.1	Low	59.9	Low	82 Å²	82	85.4 Å²	85.4	38%	0.383	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-83.5	142.3	177.3	-64.7	-172.5	-136	0	0	111.5	N412 E416 R455 K665	N412-E414 VanDerWaalsContact C-N 3.26Å; N412-E414 PolarHBondContact O-N 3Å; N412-E414 VanDerWaalsContact O-N 3.08Å; E414-E416 PolarHBondContact O-N 3.15Å; E414-E416 VanDerWaalsContact O-N 3.14Å; E414-R455 IonicContact OE1-CZ 2.81Å; E414-R455 IonicContact OE1-NH1 3.19Å; E414-R455 PolarHBondContact OE1-NH1 3.21Å; E414-R455 IonicContact OE1-NH2 3.81Å; E414-R455 PolarHBondContact OE1-NH2 3.01Å; E414-R455 IonicContact OE2-CZ 2.74Å; E414-R455 IonicContact OE2-NH1 3.55Å; E414-R455 PolarHBondContact OE2-NH1 3.07Å; E414-R455 IonicContact OE2-NH2 3.24Å; E414-K665 WeakPolarHBondContact O-CE 3.45Å; E414-K665 PolarHBondContact O-NZ 2.79Å
415	D	60.9	Low	57.2	Low	23 Å²	23	89.8 Å²	89.8	12%	0.123	50%	0.499	C	S	.	.			trans	-74.6	94.8	164.7	-71.7	-40.8	0	0	0	108.5	D417 E418 G663 K665	D415-D417 PolarHBondContact O-N 2.85Å; D415-E418 PolarHBondContact O-N 3.03Å; D415-G663 PolarHBondContact N-O 3.3Å; D415-K665 VanDerWaalsContact OD1-CE 3.26Å; D415-K665 WeakPolarHBondContact OD1-CE 3.48Å; D415-K665 WeakPolarHBondContact OD1-CG 3.48Å
416	E	51.4	Low	54.9	Low	179 Å²	179	96.6 Å²	96.6	84%	0.836	52%	0.524	S	S	*	.	S	Bend	trans	-55.6	-20.1	175.4	-63.2	-174.6	165	0	0	112.6	E414 E418	E414-E416 PolarHBondContact O-N 3.15Å; E414-E416 VanDerWaalsContact O-N 3.14Å; E416-E418 PolarHBondContact O-N 3.27Å
417	D	48.5	Very low	52.6	Low	94 Å²	94	101 Å²	101	50%	0.503	54%	0.542	S	S	.	.			trans	-72.3	42.6	166.8	-57.4	-73.8	0	0	0	113.5	D415 E419 R754	D415-D417 PolarHBondContact O-N 2.85Å; D417-E419 PolarHBondContact O-N 3.39Å; D417-R754 PolarHBondContact O-NH1 3.25Å
418	E	50.2	Low	50.9	Low	109 Å²	109	100.8 Å²	100.8	51%	0.509	54%	0.543	S	S	.	.			trans	-71.2	78.6	149	-78.3	-160.9	160.8	0	0	107.3	D415 E416 P420 R754 K767	D415-E418 PolarHBondContact O-N 3.03Å; E416-E418 PolarHBondContact O-N 3.27Å; E418-P420 VanDerWaalsContact O-CD 3.25Å; E418-P420 WeakPolarHBondContact O-CD 2.99Å; E418-P420 VanDerWaalsContact O-N 3.07Å; E418-R754 IonicContact OE1-NH2 3.74Å; E418-K767 IonicContact OE1-NZ 3.03Å; E418-K767 PolarHBondContact OE1-NZ 2.91Å; E418-K767 IonicContact OE2-NZ 2.83Å
419	E	42.4	Very low	49.2	Very low	126 Å²	126	102 Å²	102	59%	0.589	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-48.9	117.7	164.9	-86.6	179.4	-160.8	0	0	107.6	D417 I421 K751	D417-E419 PolarHBondContact O-N 3.39Å; E419-I421 PolarHBondContact O-N 3.38Å; E419-K751 VanDerWaalsContact OE1-CE 3.23Å; E419-K751 WeakPolarHBondContact OE1-CE 3.34Å; E419-K751 IonicContact OE1-NZ 3.28Å; E419-K751 PolarHBondContact OE1-NZ 3.33Å
420	P	38.4	Very low	48.1	Very low	119 Å²	119	103.1 Å²	103.1	77%	0.773	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.7	120.9	174.1	-21.5	32.7	0	0	0	106.9	E418 P422	E418-P420 VanDerWaalsContact O-CD 3.25Å; E418-P420 WeakPolarHBondContact O-CD 2.99Å; E418-P420 VanDerWaalsContact O-N 3.07Å; P420-P422 WeakPolarHBondContact O-CD 3.25Å; P420-P422 VanDerWaalsContact O-N 3.09Å
421	I	43.4	Very low	47.4	Very low	94 Å²	94	99.2 Å²	99.2	48%	0.482	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-48.8	125.2	171.1	-54.3	172.3	0	0	0	105.5	E419 E423 N762	E419-I421 PolarHBondContact O-N 3.38Å; I421-E423 PolarHBondContact O-N 3.23Å; I421-N762 HydrophobicContact CD1-CB 3.95Å
422	P	34.5	Very low	46.9	Very low	114 Å²	114	99.7 Å²	99.7	74%	0.74	53%	0.533	S	S	*	.			trans	-55.8	111.7	173.9	-22.8	32.7	0	0	0	106.9	P420 S424	P420-P422 WeakPolarHBondContact O-CD 3.25Å; P420-P422 VanDerWaalsContact O-N 3.09Å; P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 3.49Å
423	E	34.9	Very low	46.6	Very low	175 Å²	175	98.4 Å²	98.4	82%	0.818	53%	0.525	S	S	*	.			trans	-57.4	106.2	169.9	-74.9	-170.9	148.3	0	0	105.5	I421 S425	I421-E423 PolarHBondContact O-N 3.23Å; E423-S425 PolarHBondContact O-N 3.02Å; E423-S425 PolarHBondContact O-OG 3.13Å
424	S	38	Very low	45.7	Very low	84 Å²	84	98.8 Å²	98.8	59%	0.587	54%	0.539	S	S	*	.			trans	-54.4	108.8	175.6	51	0	0	0	0	105.9	P422 E426	P422-S424 VanDerWaalsContact C-N 3.32Å; P422-S424 PolarHBondContact O-N 3.49Å; S424-E426 PolarHBondContact O-N 3.36Å; S424-E426 VanDerWaalsContact O-O 3.06Å
425	S	34.2	Very low	44.8	Very low	128 Å²	128	99.7 Å²	99.7	90%	0.895	54%	0.543	S	S	*	.	S	Bend	trans	-72.7	5.2	-168.8	-42.9	0	0	0	0	112.7	E423	E423-S425 PolarHBondContact O-N 3.02Å; E423-S425 PolarHBondContact O-OG 3.13Å
426	E	37.3	Very low	43.9	Very low	168 Å²	168	102.6 Å²	102.6	79%	0.785	56%	0.556	S	S	*	*	S	Bend	trans	-81.9	121.7	163.9	-60.3	-166.4	140.8	0	0	109.4	S424 T428	S424-E426 PolarHBondContact O-N 3.36Å; S424-E426 VanDerWaalsContact O-O 3.06Å; E426-T428 PolarHBondContact O-N 2.94Å; E426-T428 VanDerWaalsContact O-N 3.13Å
427	L	38.1	Very low	43.3	Very low	115 Å²	115	105.8 Å²	105.8	60%	0.602	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-55.2	119.6	171.6	-74	143.6	0	0	0	109.1	E431 L432	L427-E431 WeakPolarHBondContact CA-OE2 3.44Å; L427-E431 HydrophobicContact CB-CB 4.31Å; L427-E431 HydrophobicContact CD2-CB 3.9Å; L427-E431 HydrophobicContact CD2-CG 4.45Å; L427-E431 WeakPolarHBondContact CD2-OE2 3.34Å; L427-L432 HydrophobicContact CB-CG 4.45Å
428	T	49.2	Very low	43	Very low	54 Å²	54	109.9 Å²	109.9	33%	0.331	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-61.7	153.1	177	69.2	0	0	0	0	109.5	E426 Q430 E431 L432	E426-T428 PolarHBondContact O-N 2.94Å; E426-T428 VanDerWaalsContact O-N 3.13Å; T428-Q430 PolarHBondContact O-N 3.22Å; T428-Q430 WeakPolarHBondContact OG1-CB 3.45Å; T428-E431 WeakPolarHBondContact CB-OE1 3.45Å; T428-E431 WeakPolarHBondContact CG2-OE1 3.36Å; T428-E431 PolarHBondContact N-OE1 2.86Å; T428-E431 PolarHBondContact N-OE2 3.44Å; T428-E431 VanDerWaalsContact N-OE2 3.09Å; T428-E431 WeakPolarHBondContact O-CA 3.3Å; T428-E431 VanDerWaalsContact O-CB 3.3Å; T428-E431 WeakPolarHBondContact O-CB 3.47Å; T428-E431 PolarHBondContact O-N 3.27Å; T428-E431 VanDerWaalsContact OG1-CD 3.24Å; T428-E431 PolarHBondContact OG1-OE1 3.12Å; T428-L432 PolarHBondContact O-N 3.17Å
429	L	47	Very low	42.6	Very low	63 Å²	63	107.6 Å²	107.6	33%	0.33	56%	0.56	S	S	.	*	H	α-helix	trans	-61.7	-21.6	179.3	-123.4	86.6	0	0	0	112.4	E431 L432 L433 I527 Y531	L429-E431 VanDerWaalsContact C-N 3.31Å; L429-E431 PolarHBondContact O-N 2.81Å; L429-L432 HydrophobicContact CD1-CD1 4.16Å; L429-L432 PolarHBondContact O-N 2.96Å; L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.34Å; L429-L433 PolarHBondContact O-N 3.05Å; L429-I527 HydrophobicContact CB-CG2 4.24Å; L429-I527 HydrophobicContact CD2-CG2 4.22Å; L429-Y531 HydrophobicContact CD1-CD2 4.41Å; L429-Y531 HydrophobicContact CD1-CE2 4.42Å; L429-Y531 HydrophobicContact CD2-CD2 4.29Å
430	Q	48.9	Very low	42.7	Very low	38 Å²	38	108.9 Å²	108.9	18%	0.178	56%	0.564	C	S	.	*	H	α-helix	trans	-57.6	-39.8	168.7	-127.5	80.3	28	0	0	112.7	T428 G434 E435	T428-Q430 PolarHBondContact O-N 3.22Å; T428-Q430 WeakPolarHBondContact OG1-CB 3.45Å; Q430-G434 PolarHBondContact O-N 3.19Å; Q430-E435 HydrophobicContact CG-CB 4.15Å; Q430-E435 PolarHBondContact NE2-OE2 2.97Å; Q430-E435 PolarHBondContact O-N 3.1Å
431	E	49.4	Very low	42.9	Very low	41 Å²	41	110.1 Å²	110.1	19%	0.192	56%	0.557	C	S	.	*	H	α-helix	trans	-71.1	-43.8	177.3	-72.6	141.5	-128.6	0	0	111.1	L427 T428 L429 L433 G434 E436 K441	L427-E431 WeakPolarHBondContact CA-OE2 3.44Å; L427-E431 HydrophobicContact CB-CB 4.31Å; L427-E431 HydrophobicContact CD2-CB 3.9Å; L427-E431 HydrophobicContact CD2-CG 4.45Å; L427-E431 WeakPolarHBondContact CD2-OE2 3.34Å; T428-E431 WeakPolarHBondContact CB-OE1 3.45Å; T428-E431 WeakPolarHBondContact CG2-OE1 3.36Å; T428-E431 PolarHBondContact N-OE1 2.86Å; T428-E431 PolarHBondContact N-OE2 3.44Å; T428-E431 VanDerWaalsContact N-OE2 3.09Å; T428-E431 WeakPolarHBondContact O-CA 3.3Å; T428-E431 VanDerWaalsContact O-CB 3.3Å; T428-E431 WeakPolarHBondContact O-CB 3.47Å; T428-E431 PolarHBondContact O-N 3.27Å; T428-E431 VanDerWaalsContact OG1-CD 3.24Å; T428-E431 PolarHBondContact OG1-OE1 3.12Å; L429-E431 VanDerWaalsContact C-N 3.31Å; L429-E431 PolarHBondContact O-N 2.81Å; E431-L433 VanDerWaalsContact C-N 3.3Å; E431-L433 PolarHBondContact O-N 3.12Å; E431-G434 PolarHBondContact O-N 3.46Å; E431-G434 VanDerWaalsContact O-N 3.14Å; E431-E436 HydrophobicContact CB-CG 4.41Å; E431-E436 HydrophobicContact CG-CG 3.5Å; E431-E436 WeakPolarHBondContact CG-OE1 3.45Å; E431-K441 IonicContact OE1-NZ 3.68Å; E431-K441 PolarHBondContact OE1-NZ 3.24Å
432	L	50.1	Low	43.1	Very low	121 Å²	121	108.4 Å²	108.4	63%	0.634	56%	0.562	S	S	*	*	H	α-helix	trans	-66.3	-28.6	176.4	-74.2	163.7	0	0	0	113.4	L427 T428 L429	L427-L432 HydrophobicContact CB-CG 4.45Å; T428-L432 PolarHBondContact O-N 3.17Å; L429-L432 HydrophobicContact CD1-CD1 4.16Å; L429-L432 PolarHBondContact O-N 2.96Å
433	L	52	Low	44	Very low	96 Å²	96	107 Å²	107	50%	0.503	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.1	-4.2	174.8	-67.1	171.6	0	0	0	113.5	L429 E431 E435	L429-L433 WeakPolarHBondContact O-CB 3.35Å; L429-L433 VanDerWaalsContact O-CG 3.26Å; L429-L433 WeakPolarHBondContact O-CG 3.34Å; L429-L433 PolarHBondContact O-N 3.05Å; E431-L433 VanDerWaalsContact C-N 3.3Å; E431-L433 PolarHBondContact O-N 3.12Å; L433-E435 PolarHBondContact O-N 3.11Å
434	G	44.2	Very low	45.3	Very low	51 Å²	51	102.2 Å²	102.2	53%	0.526	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	16.6	175.3	0	0	0	0	0	115.6	Q430 E431 E436	Q430-G434 PolarHBondContact O-N 3.19Å; E431-G434 PolarHBondContact O-N 3.46Å; E431-G434 VanDerWaalsContact O-N 3.14Å; G434-E436 VanDerWaalsContact C-N 3.32Å; G434-E436 PolarHBondContact O-N 2.87Å
435	E	46.8	Very low	46.7	Very low	101 Å²	101	102.5 Å²	102.5	47%	0.472	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-76.8	-14.9	-178.5	-71.4	-165.6	157.5	0	0	113.7	Q430 L433 R437 R438	Q430-E435 HydrophobicContact CG-CB 4.15Å; Q430-E435 PolarHBondContact NE2-OE2 2.97Å; Q430-E435 PolarHBondContact O-N 3.1Å; L433-E435 PolarHBondContact O-N 3.11Å; E435-R437 VanDerWaalsContact C-N 3.26Å; E435-R437 PolarHBondContact O-N 2.98Å; E435-R437 VanDerWaalsContact O-N 3.15Å; E435-R438 PolarHBondContact O-N 3.14Å
436	E	42	Very low	48.8	Very low	85 Å²	85	96.8 Å²	96.8	40%	0.397	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-55.4	-32.7	-177.9	-82.4	-152.7	131.3	0	0	115.3	E431 G434 R438 N439 K441	E431-E436 HydrophobicContact CB-CG 4.41Å; E431-E436 HydrophobicContact CG-CG 3.5Å; E431-E436 WeakPolarHBondContact CG-OE1 3.45Å; G434-E436 VanDerWaalsContact C-N 3.32Å; G434-E436 PolarHBondContact O-N 2.87Å; E436-R438 PolarHBondContact O-N 3.24Å; E436-N439 PolarHBondContact O-N 2.61Å; E436-N439 VanDerWaalsContact O-N 3.1Å; E436-K441 WeakPolarHBondContact OE1-CE 3.34Å; E436-K441 IonicContact OE1-NZ 3.92Å; E436-K441 PolarHBondContact OE1-NZ 3.41Å
437	R	39.1	Very low	50.9	Low	246 Å²	246	92.5 Å²	92.5	93%	0.928	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-61.2	-2.1	-174.4	-75.7	-171.4	176.5	-175.3	0.4	114.7	E435	E435-R437 VanDerWaalsContact C-N 3.26Å; E435-R437 PolarHBondContact O-N 2.98Å; E435-R437 VanDerWaalsContact O-N 3.15Å
438	R	42.1	Very low	53.1	Low	179 Å²	179	87 Å²	87	68%	0.675	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-117.8	-15.4	177.9	-70.4	-178.6	170.4	172.8	-3.1	115.4	E435 E436	E435-R438 PolarHBondContact O-N 3.14Å; E436-R438 PolarHBondContact O-N 3.24Å
439	N	43	Very low	54.7	Low	62 Å²	62	85.5 Å²	85.5	33%	0.332	43%	0.432	S	S	.	.			trans	-118.8	102	-175.8	-61.2	-33.2	0	0	0	109.6	E436 K441 K488	E436-N439 PolarHBondContact O-N 2.61Å; E436-N439 VanDerWaalsContact O-N 3.1Å; N439-K441 PolarHBondContact O-N 2.82Å; N439-K488 VanDerWaalsContact OD1-CE 3.3Å; N439-K488 WeakPolarHBondContact OD1-CE 3.41Å
440	K	44.1	Very low	56.5	Low	153 Å²	153	87.2 Å²	87.2	67%	0.665	45%	0.446	S	S	*	.			trans	-64.7	121.1	168.8	-75.5	171.9	179.6	157.4	0	109.2	E490	K440-E490 WeakPolarHBondContact CE-OE2 3.32Å; K440-E490 IonicContact NZ-OE1 3.14Å; K440-E490 IonicContact NZ-OE2 2.77Å; K440-E490 PolarHBondContact NZ-OE2 2.84Å
441	K	42	Very low	58.1	Low	145 Å²	145	89.7 Å²	89.7	63%	0.63	46%	0.457	S	S	*	.			trans	-73	125.9	169.3	-71.8	169	172.3	164.2	0	108.7	E431 E436 N439	E431-K441 IonicContact OE1-NZ 3.68Å; E431-K441 PolarHBondContact OE1-NZ 3.24Å; E436-K441 WeakPolarHBondContact OE1-CE 3.34Å; E436-K441 IonicContact OE1-NZ 3.92Å; E436-K441 PolarHBondContact OE1-NZ 3.41Å; N439-K441 PolarHBondContact O-N 2.82Å
442	G	48	Very low	59.8	Low	57 Å²	57	88.5 Å²	88.5	59%	0.588	45%	0.452	S	S	*	.	S	Bend	trans	129.3	153.1	176.1	0	0	0	0	0	114.1	R444	G442-R444 PolarHBondContact O-N 2.67Å
443	P	52.5	Low	61.1	Low	86 Å²	86	85.8 Å²	85.8	56%	0.558	45%	0.453	S	S	*	.			trans	-65	126.4	175.6	27.4	-33.1	0	0	0	109.8	V445	P443-V445 PolarHBondContact O-N 3.16Å
444	R	64.1	Low	62.4	Low	73 Å²	73	82.3 Å²	82.3	28%	0.275	44%	0.436	S	S	.	.			trans	-64.7	132.1	172.6	-74.1	-178.8	169.9	151.8	-3.3	109	G442 F487 E490 Y768	G442-R444 PolarHBondContact O-N 2.67Å; R444-F487 VanDerWaalsContact CZ-O 3.24Å; R444-F487 VanDerWaalsContact NH1-CD2 3.29Å; R444-F487 VanDerWaalsContact NH1-CE1 3.28Å; R444-F487 PolarHBondContact NH1-O 3.39Å; R444-F487 PolarHBondContact NH2-O 3.18Å; R444-E490 IonicContact CZ-OE1 3.02Å; R444-E490 IonicContact NE-OE1 2.6Å; R444-E490 PolarHBondContact NE-OE1 3.13Å; R444-E490 IonicContact NH2-OE1 2.85Å; R444-E490 PolarHBondContact NH2-OE1 3.1Å; R444-Y768 HydrophobicContact CB-CD2 4.34Å; R444-Y768 HydrophobicContact CB-CE2 4.48Å; R444-Y768 HydrophobicContact CB-CG 4.43Å; R444-Y768 WeakPolarHBondContact O-CD2 3.26Å
445	V	66.8	Low	63.9	Low	90 Å²	90	83.1 Å²	83.1	55%	0.545	42%	0.423	S	S	.	.			trans	-111.6	138.7	169.6	-176.3	0	0	0	0	107.2	P443 T450	P443-V445 PolarHBondContact O-N 3.16Å; V445-T450 WeakPolarHBondContact CG1-OG1 3.46Å
446	D	78.8	Confident	65.4	Low	8 Å²	8	79.4 Å²	79.4	4%	0.043	41%	0.408	C	S	.	.			trans	-71.8	129.6	-179.5	-163.3	-62.6	0	0	0	110.8	K396 Y400 L448 E449 T450	K396-D446 VanDerWaalsContact CE-OD1 3.27Å; K396-D446 WeakPolarHBondContact CE-OD1 3.47Å; K396-D446 VanDerWaalsContact CE-OD2 3.25Å; K396-D446 WeakPolarHBondContact CE-OD2 3.43Å; K396-D446 IonicContact NZ-OD1 3.64Å; K396-D446 PolarHBondContact NZ-OD1 2.76Å; K396-D446 IonicContact NZ-OD2 3.56Å; K396-D446 PolarHBondContact NZ-OD2 3.14Å; Y400-D446 WeakPolarHBondContact OH-CB 3.32Å; D446-L448 PolarHBondContact O-N 3.28Å; D446-L448 VanDerWaalsContact O-N 3.11Å; D446-L448 WeakPolarHBondContact OD1-CB 3.3Å; D446-L448 PolarHBondContact OD1-N 3.24Å; D446-E449 HydrophobicContact CB-CB 3.84Å; D446-E449 WeakPolarHBondContact O-CB 3.14Å; D446-E449 PolarHBondContact O-N 2.77Å; D446-T450 PolarHBondContact O-N 3.11Å; D446-T450 VanDerWaalsContact O-N 3.16Å; D446-T450 PolarHBondContact O-OG1 2.94Å
447	P	81.2	Confident	67.1	Low	78 Å²	78	76.7 Å²	76.7	51%	0.506	40%	0.396	S	S	.	.	H	α-helix	trans	-57.1	-28.1	179.2	-26.8	35.2	0	0	0	114.5	L338 E451	L338-P447 HydrophobicContact CD1-CB 3.73Å; L338-P447 HydrophobicContact CD2-CB 4.12Å; P447-E451 PolarHBondContact O-N 2.92Å
448	L	83.9	Confident	68.9	Low	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-77.7	-33.9	177.1	-176.5	58.7	0	0	0	111.9	Q341 A342 K396 Y400 D446 E451 L452	Q341-L448 HydrophobicContact CB-CD1 3.98Å; A342-L448 HydrophobicContact CB-CD1 4.11Å; K396-L448 HydrophobicContact CG-CD2 4.4Å; Y400-L448 HydrophobicContact CD2-CD2 3.72Å; Y400-L448 HydrophobicContact CD2-CG 4.24Å; Y400-L448 HydrophobicContact CE2-CD2 4.18Å; Y400-L448 HydrophobicContact CG-CD2 4.42Å; D446-L448 PolarHBondContact O-N 3.28Å; D446-L448 VanDerWaalsContact O-N 3.11Å; D446-L448 WeakPolarHBondContact OD1-CB 3.3Å; D446-L448 PolarHBondContact OD1-N 3.24Å; L448-E451 PolarHBondContact O-N 3.32Å; L448-L452 HydrophobicContact CD1-CD1 4Å; L448-L452 HydrophobicContact CD1-CG 4.21Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CD1 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3.05Å
449	E	83.1	Confident	70.8	Confident	22 Å²	22	57.7 Å²	57.7	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-63.4	-43.7	175.5	-165.2	171.3	-170.4	0	0	110.7	Y400 D446 L452 G453 V454 R455 T456	Y400-E449 HydrophobicContact CE1-CB 4.01Å; Y400-E449 HydrophobicContact CE1-CG 4.09Å; D446-E449 HydrophobicContact CB-CB 3.84Å; D446-E449 WeakPolarHBondContact O-CB 3.14Å; D446-E449 PolarHBondContact O-N 2.77Å; E449-L452 PolarHBondContact O-N 3.39Å; E449-G453 PolarHBondContact O-N 3.46Å; E449-V454 WeakPolarHBondContact CG-O 3.49Å; E449-V454 PolarHBondContact O-N 2.81Å; E449-R455 HydrophobicContact CG-CB 4.48Å; E449-R455 HydrophobicContact CG-CG 4.27Å; E449-R455 WeakPolarHBondContact OE1-CA 3.38Å; E449-R455 VanDerWaalsContact OE1-CB 3.25Å; E449-R455 WeakPolarHBondContact OE1-CB 3.34Å; E449-R455 WeakPolarHBondContact OE1-CG 3.32Å; E449-T456 PolarHBondContact OE1-N 3.22Å
450	T	84.2	Confident	72.6	Confident	99 Å²	99	57.7 Å²	57.7	61%	0.607	32%	0.322	S	S	*	.	H	α-helix	trans	-63.7	-42.9	174.5	-52.7	0	0	0	0	113	V445 D446 L452 G453	V445-T450 WeakPolarHBondContact CG1-OG1 3.46Å; D446-T450 PolarHBondContact O-N 3.11Å; D446-T450 VanDerWaalsContact O-N 3.16Å; D446-T450 PolarHBondContact O-OG1 2.94Å; T450-L452 VanDerWaalsContact C-N 3.33Å; T450-G453 PolarHBondContact O-N 3.34Å
451	E	83.8	Confident	74.5	Confident	91 Å²	91	59.1 Å²	59.1	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-70	-29.7	179.1	-176.2	70.9	-168.9	0	0	112.4	A342 R346 P447 L448	A342-E451 HydrophobicContact CB-CB 4.4Å; A342-E451 HydrophobicContact CB-CG 3.57Å; R346-E451 PolarHBondContact NH2-O 2.85Å; P447-E451 PolarHBondContact O-N 2.92Å; L448-E451 PolarHBondContact O-N 3.32Å
452	L	83.3	Confident	76.7	Confident	15 Å²	15	53.7 Å²	53.7	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-81	-27.6	175.5	-71.9	168.7	0	0	0	112.9	A342 T345 R346 Y400 I404 L448 E449 T450 V454	A342-L452 HydrophobicContact CB-CD2 3.85Å; A342-L452 HydrophobicContact CB-CG 4.26Å; T345-L452 HydrophobicContact CG2-CD1 3.89Å; T345-L452 HydrophobicContact CG2-CD2 4.24Å; R346-L452 HydrophobicContact CG-CD2 4.1Å; Y400-L452 HydrophobicContact CD1-CD1 4.06Å; Y400-L452 HydrophobicContact CG-CD1 3.98Å; I404-L452 HydrophobicContact CD1-CB 4.36Å; I404-L452 HydrophobicContact CD1-CD1 4.06Å; I404-L452 HydrophobicContact CD1-CD2 3.87Å; I404-L452 HydrophobicContact CD1-CG 4.33Å; L448-L452 HydrophobicContact CD1-CD1 4Å; L448-L452 HydrophobicContact CD1-CG 4.21Å; L448-L452 HydrophobicContact CG-CD1 3.83Å; L448-L452 HydrophobicContact CG-CG 4.46Å; L448-L452 WeakPolarHBondContact O-CB 3.38Å; L448-L452 WeakPolarHBondContact O-CD1 3.35Å; L448-L452 VanDerWaalsContact O-CG 3.23Å; L448-L452 WeakPolarHBondContact O-CG 3.35Å; L448-L452 PolarHBondContact O-N 3.05Å; E449-L452 PolarHBondContact O-N 3.39Å; T450-L452 VanDerWaalsContact C-N 3.33Å; L452-V454 VanDerWaalsContact C-N 3.32Å
453	G	78.6	Confident	78.7	Confident	64 Å²	64	53.6 Å²	53.6	66%	0.66	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	25.9	-176.1	0	0	0	0	0	113.5	E449 T450	E449-G453 PolarHBondContact O-N 3.46Å; T450-G453 PolarHBondContact O-N 3.34Å
454	V	78.6	Confident	80.6	Confident	24 Å²	24	49.5 Å²	49.5	15%	0.145	26%	0.262	C	S	.	.			trans	-137	126.4	-175.3	175.1	0	0	0	0	108.5	V403 I404 L408 E449 L452	V403-V454 HydrophobicContact CG1-CG1 3.96Å; I404-V454 HydrophobicContact CD1-CG2 4.43Å; I404-V454 HydrophobicContact CG1-CB 4.38Å; I404-V454 HydrophobicContact CG1-CG1 4.18Å; I404-V454 HydrophobicContact CG1-CG2 4.24Å; L408-V454 HydrophobicContact CD1-CG1 4Å; L408-V454 HydrophobicContact CD1-CG2 4.35Å; L408-V454 HydrophobicContact CD2-CG1 3.69Å; E449-V454 WeakPolarHBondContact CG-O 3.49Å; E449-V454 PolarHBondContact O-N 2.81Å; L452-V454 VanDerWaalsContact C-N 3.32Å
455	R	77	Confident	81.9	Confident	67 Å²	67	49 Å²	49	25%	0.253	27%	0.269	S	S	.	.			trans	-92.9	150.2	172.7	-59.1	176.8	-69.6	-138.1	-18.2	112.2	E414 E449 N457 D458	E414-R455 IonicContact OE1-CZ 2.81Å; E414-R455 IonicContact OE1-NH1 3.19Å; E414-R455 PolarHBondContact OE1-NH1 3.21Å; E414-R455 IonicContact OE1-NH2 3.81Å; E414-R455 PolarHBondContact OE1-NH2 3.01Å; E414-R455 IonicContact OE2-CZ 2.74Å; E414-R455 IonicContact OE2-NH1 3.55Å; E414-R455 PolarHBondContact OE2-NH1 3.07Å; E414-R455 IonicContact OE2-NH2 3.24Å; E449-R455 HydrophobicContact CG-CB 4.48Å; E449-R455 HydrophobicContact CG-CG 4.27Å; E449-R455 WeakPolarHBondContact OE1-CA 3.38Å; E449-R455 VanDerWaalsContact OE1-CB 3.25Å; E449-R455 WeakPolarHBondContact OE1-CB 3.34Å; E449-R455 WeakPolarHBondContact OE1-CG 3.32Å; R455-N457 PolarHBondContact O-N 3.1Å; R455-D458 WeakPolarHBondContact CA-OD2 3.44Å; R455-D458 VanDerWaalsContact CB-OD2 3.24Å; R455-D458 WeakPolarHBondContact CB-OD2 3.15Å; R455-D458 IonicContact CZ-OD1 3.22Å; R455-D458 PolarHBondContact N-OD2 3.14Å; R455-D458 IonicContact NE-OD1 2.75Å; R455-D458 PolarHBondContact NE-OD1 3.14Å; R455-D458 IonicContact NE-OD2 2.81Å; R455-D458 IonicContact NH2-OD1 3.64Å; R455-D458 VanDerWaalsContact O-CB 3.32Å; R455-D458 WeakPolarHBondContact O-CB 3.22Å; R455-D458 PolarHBondContact O-N 3.23Å
456	T	78.4	Confident	83.1	Confident	24 Å²	24	45.6 Å²	45.6	15%	0.147	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.9	-40	176.6	55.6	0	0	0	0	112.4	Y399 Y400 E449 D458 C459	Y399-T456 HydrophobicContact CE1-CG2 3.67Å; Y400-T456 HydrophobicContact CE1-CG2 3.81Å; E449-T456 PolarHBondContact OE1-N 3.22Å; T456-D458 PolarHBondContact O-N 3.31Å; T456-C459 WeakPolarHBondContact O-CB 3.34Å; T456-C459 PolarHBondContact O-N 3.49Å
457	N	76.4	Confident	83.6	Confident	27 Å²	27	50.9 Å²	50.9	14%	0.144	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-69.6	-11.7	177	-62.4	-42.6	0	0	0	114.3	R455 C459 M662 K664	R455-N457 PolarHBondContact O-N 3.1Å; N457-C459 VanDerWaalsContact C-N 3.31Å; N457-M662 VanDerWaalsContact ND2-CE 3.31Å; N457-M662 WeakPolarHBondContact ND2-CE 3.49Å; N457-K664 HydrophobicContact CB-CD 4.38Å; N457-K664 PolarHBondContact O-NZ 3.14Å
458	D	77.3	Confident	84.1	Confident	14 Å²	14	50.2 Å²	50.2	8%	0.075	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-78.1	-21.1	175.5	-54.2	-28.6	0	0	0	110.8	L408 D409 R455 T456 R460 K664	L408-D458 HydrophobicContact CD2-CB 4.33Å; D409-D458 VanDerWaalsContact CB-O 3.27Å; D409-D458 WeakPolarHBondContact CB-O 3.48Å; D409-D458 PolarHBondContact N-O 3.08Å; R455-D458 WeakPolarHBondContact CA-OD2 3.44Å; R455-D458 VanDerWaalsContact CB-OD2 3.24Å; R455-D458 WeakPolarHBondContact CB-OD2 3.15Å; R455-D458 IonicContact CZ-OD1 3.22Å; R455-D458 PolarHBondContact N-OD2 3.14Å; R455-D458 IonicContact NE-OD1 2.75Å; R455-D458 PolarHBondContact NE-OD1 3.14Å; R455-D458 IonicContact NE-OD2 2.81Å; R455-D458 IonicContact NH2-OD1 3.64Å; R455-D458 VanDerWaalsContact O-CB 3.32Å; R455-D458 WeakPolarHBondContact O-CB 3.22Å; R455-D458 PolarHBondContact O-N 3.23Å; T456-D458 PolarHBondContact O-N 3.31Å; D458-R460 PolarHBondContact O-N 3.36Å; D458-K664 IonicContact OD1-NZ 2.71Å; D458-K664 PolarHBondContact OD1-NZ 2.86Å
459	C	83.1	Confident	84.5	Confident	12 Å²	12	50.2 Å²	50.2	8%	0.081	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121	174.8	-163.6	0	0	0	0	111.3	V403 L408 T456 N457 F466	V403-C459 HydrophobicContact CG1-CB 4.13Å; L408-C459 HydrophobicContact CD2-CB 4.04Å; T456-C459 WeakPolarHBondContact O-CB 3.34Å; T456-C459 PolarHBondContact O-N 3.49Å; N457-C459 VanDerWaalsContact C-N 3.31Å; C459-F466 HydrophobicContact CB-CZ 4.14Å
460	R	80.1	Confident	85	Confident	62 Å²	62	50.7 Å²	50.7	23%	0.234	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-37.3	174.1	-61	-56.4	-158.7	124.9	8.9	112.1	D407 D409 D458 R659 T667 D670	D407-R460 PolarHBondContact O-N 3.41Å; D409-R460 HydrophobicContact CB-CG 4.17Å; D409-R460 IonicContact OD2-CZ 3.42Å; D409-R460 IonicContact OD2-NE 4Å; D409-R460 PolarHBondContact OD2-NE 2.64Å; D409-R460 IonicContact OD2-NH2 3.39Å; D409-R460 PolarHBondContact OD2-NH2 3.47Å; D458-R460 PolarHBondContact O-N 3.36Å; R460-R659 VanDerWaalsContact CZ-NE 3.35Å; R460-R659 VanDerWaalsContact NH2-NH2 3.14Å; R460-T667 PolarHBondContact NH2-OG1 3.04Å; R460-D670 IonicContact CZ-OD1 3.46Å; R460-D670 IonicContact CZ-OD2 3.43Å; R460-D670 IonicContact NH1-OD1 3.57Å; R460-D670 PolarHBondContact NH1-OD1 3.39Å; R460-D670 IonicContact NH1-OD2 3.49Å; R460-D670 IonicContact NH2-OD1 2.82Å; R460-D670 PolarHBondContact NH2-OD1 3.16Å; R460-D670 IonicContact NH2-OD2 3.79Å; R460-D670 PolarHBondContact NH2-OD2 2.71Å
461	R	83.9	Confident	85.4	Confident	184 Å²	184	46.2 Å²	46.2	69%	0.694	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	106.1	176.6	-63.7	-177.8	173.2	-179.2	-1.6	109.2	G406 D407	G406-R461 CarbonylContact C-O 3.6Å; G406-R461 VanDerWaalsContact CA-O 3.32Å; G406-R461 WeakPolarHBondContact CA-O 3.24Å; D407-R461 HydrophobicContact CB-CB 4.02Å; D407-R461 PolarHBondContact N-O 3.03Å; D407-R461 PolarHBondContact O-N 2.82Å
462	P	88.8	Confident	85.7	Confident	30 Å²	30	46.5 Å²	46.5	20%	0.195	24%	0.239	C	C	.	.			trans	-68.3	163.3	174.2	30.8	-36.8	0	0	0	111.3	I464 F466	P462-I464 VanDerWaalsContact CB-O 3.26Å; P462-I464 WeakPolarHBondContact CB-O 3.41Å; P462-I464 WeakPolarHBondContact CG-O 3.46Å; P462-I464 PolarHBondContact O-N 3.05Å; P462-F466 HydrophobicContact CB-CD1 4.26Å; P462-F466 HydrophobicContact CB-CE1 3.73Å; P462-F466 HydrophobicContact CB-CE2 4.41Å; P462-F466 HydrophobicContact CB-CZ 3.82Å; P462-F466 HydrophobicContact CG-CD1 4.08Å; P462-F466 HydrophobicContact CG-CD2 4.03Å; P462-F466 HydrophobicContact CG-CE1 3.88Å; P462-F466 HydrophobicContact CG-CE2 3.82Å; P462-F466 HydrophobicContact CG-CG 4.17Å; P462-F466 HydrophobicContact CG-CZ 3.74Å
463	L	89.4	Confident	86.1	Confident	56 Å²	56	47.5 Å²	47.5	29%	0.293	25%	0.246	S	C	.	.	S	Bend	trans	-59.1	-34.9	173.1	-81.6	165.3	0	0	0	112.4	A353 N402 G405	A353-L463 HydrophobicContact CB-CB 4.41Å; A353-L463 HydrophobicContact CB-CD2 4.39Å; N402-L463 PolarHBondContact O-N 2.97Å; N402-L463 VanDerWaalsContact OD1-CB 3.32Å; N402-L463 WeakPolarHBondContact OD1-CB 3.34Å; N402-L463 PolarHBondContact OD1-N 2.99Å; G405-L463 WeakPolarHBondContact O-CG 3.24Å
464	I	92.4	Very high	86.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-131	133.3	179.3	-55.6	176.5	0	0	0	107.6	A353 I356 R357 M360 N402 P462 F466 E468 F469	A353-I464 HydrophobicContact CB-CG1 4.44Å; A353-I464 WeakPolarHBondContact O-CD1 3.12Å; I356-I464 HydrophobicContact CB-CD1 3.92Å; I356-I464 HydrophobicContact CG2-CD1 3.61Å; R357-I464 HydrophobicContact CB-CD1 3.73Å; R357-I464 VanDerWaalsContact N-CD1 3.3Å; M360-I464 HydrophobicContact SD-CG2 4.4Å; N402-I464 PolarHBondContact ND2-O 3.41Å; N402-I464 WeakPolarHBondContact OD1-CB 3.38Å; N402-I464 PolarHBondContact OD1-N 2.95Å; P462-I464 VanDerWaalsContact CB-O 3.26Å; P462-I464 WeakPolarHBondContact CB-O 3.41Å; P462-I464 WeakPolarHBondContact CG-O 3.46Å; P462-I464 PolarHBondContact O-N 3.05Å; I464-F466 PolarHBondContact O-N 3.17Å; I464-E468 HydrophobicContact CG2-CB 3.78Å; I464-E468 HydrophobicContact CG2-CG 3.95Å; I464-E468 WeakPolarHBondContact CG2-OE1 3.46Å; I464-E468 WeakPolarHBondContact CG2-OE2 3.28Å; I464-F469 HydrophobicContact CB-CE2 4.22Å; I464-F469 HydrophobicContact CG2-CE2 4.28Å
465	P	91.5	Very high	87.3	Confident	63 Å²	63	44 Å²	44	41%	0.409	21%	0.211	S	C	.	.			trans	-45.4	138	174.3	-28.4	33.9	0	0	0	113.1	E467 E468	P465-E467 PolarHBondContact O-N 2.88Å; P465-E468 HydrophobicContact CB-CG 4.43Å; P465-E468 WeakPolarHBondContact CD-OE1 3.43Å; P465-E468 PolarHBondContact O-N 3.44Å; P465-E468 VanDerWaalsContact O-N 3.09Å
466	F	90.6	Very high	87.8	Confident	18 Å²	18	48.8 Å²	48.8	8%	0.079	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.9	-178.7	-66.2	-53.6	0	0	0	112.7	Y399 V403 C459 P462 I464 E468 F469	Y399-F466 HydrophobicContact CD2-CD1 4.49Å; Y399-F466 AromaticContact CE2-CD1 3.59Å; Y399-F466 HydrophobicContact CE2-CD1 3.59Å; Y399-F466 AromaticContact CE2-CE1 3.91Å; Y399-F466 HydrophobicContact CE2-CE1 3.91Å; V403-F466 HydrophobicContact CG2-CE1 3.81Å; V403-F466 HydrophobicContact CG2-CZ 4.27Å; C459-F466 HydrophobicContact CB-CZ 4.14Å; P462-F466 HydrophobicContact CB-CD1 4.26Å; P462-F466 HydrophobicContact CB-CE1 3.73Å; P462-F466 HydrophobicContact CB-CE2 4.41Å; P462-F466 HydrophobicContact CB-CZ 3.82Å; P462-F466 HydrophobicContact CG-CD1 4.08Å; P462-F466 HydrophobicContact CG-CD2 4.03Å; P462-F466 HydrophobicContact CG-CE1 3.88Å; P462-F466 HydrophobicContact CG-CE2 3.82Å; P462-F466 HydrophobicContact CG-CG 4.17Å; P462-F466 HydrophobicContact CG-CZ 3.74Å; I464-F466 PolarHBondContact O-N 3.17Å; F466-E468 VanDerWaalsContact C-N 3.29Å; F466-E468 PolarHBondContact O-N 3.3Å; F466-F469 WeakPolarHBondContact O-CB 3.44Å; F466-F469 PolarHBondContact O-N 2.72Å
467	E	89.4	Confident	88.3	Confident	119 Å²	119	50.1 Å²	50.1	56%	0.556	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-67.8	-29.4	177.5	-62.4	62.7	-134.4	0	0	111.4	P465 F469 V470 R771	P465-E467 PolarHBondContact O-N 2.88Å; E467-F469 PolarHBondContact O-N 3.28Å; E467-V470 WeakPolarHBondContact O-CB 3.16Å; E467-V470 PolarHBondContact O-N 3.03Å; E467-R771 IonicContact OE1-NH2 3.64Å; E467-R771 PolarHBondContact OE1-NH2 3.47Å
468	E	91.9	Very high	89	Confident	63 Å²	63	49.5 Å²	49.5	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-66.1	-21.2	174.3	-68.3	-171.6	-137.6	0	0	112.1	R357 M360 Q364 I464 P465 F466	R357-E468 IonicContact CZ-OE1 3.55Å; R357-E468 IonicContact CZ-OE2 3.54Å; R357-E468 IonicContact NE-OE1 2.67Å; R357-E468 IonicContact NE-OE2 2.64Å; R357-E468 PolarHBondContact NE-OE2 2.84Å; R357-E468 IonicContact NH2-OE1 3.49Å; R357-E468 PolarHBondContact NH2-OE1 2.71Å; R357-E468 IonicContact NH2-OE2 2.71Å; R357-E468 PolarHBondContact NH2-OE2 2.7Å; M360-E468 HydrophobicContact CE-CB 3.99Å; M360-E468 HydrophobicContact SD-CB 3.85Å; Q364-E468 PolarHBondContact NE2-O 3.21Å; Q364-E468 PolarHBondContact OE1-O 3.29Å; I464-E468 HydrophobicContact CG2-CB 3.78Å; I464-E468 HydrophobicContact CG2-CG 3.95Å; I464-E468 WeakPolarHBondContact CG2-OE1 3.46Å; I464-E468 WeakPolarHBondContact CG2-OE2 3.28Å; P465-E468 HydrophobicContact CB-CG 4.43Å; P465-E468 WeakPolarHBondContact CD-OE1 3.43Å; P465-E468 PolarHBondContact O-N 3.44Å; P465-E468 VanDerWaalsContact O-N 3.09Å; F466-E468 VanDerWaalsContact C-N 3.29Å; F466-E468 PolarHBondContact O-N 3.3Å
469	F	93.6	Very high	89.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-81.3	-14.2	179	-76	-98.8	0	0	0	114.2	M360 Q364 L395 V398 Y399 N402 I464 F466 E467 F502	M360-F469 HydrophobicContact CB-CE1 4.29Å; M360-F469 HydrophobicContact CB-CZ 4.41Å; M360-F469 HydrophobicContact CG-CD1 3.98Å; M360-F469 HydrophobicContact CG-CE1 3.83Å; M360-F469 HydrophobicContact CG-CE2 4.48Å; M360-F469 HydrophobicContact CG-CG 4.38Å; M360-F469 HydrophobicContact CG-CZ 4.09Å; M360-F469 HydrophobicContact SD-CD1 4.31Å; M360-F469 HydrophobicContact SD-CD2 3.92Å; M360-F469 HydrophobicContact SD-CE1 4.25Å; M360-F469 HydrophobicContact SD-CE2 3.84Å; M360-F469 HydrophobicContact SD-CG 4.15Å; M360-F469 HydrophobicContact SD-CZ 4.01Å; Q364-F469 VanDerWaalsContact NE2-CA 3.34Å; Q364-F469 PolarHBondContact NE2-O 2.85Å; L395-F469 HydrophobicContact CD1-CD1 4.01Å; L395-F469 HydrophobicContact CD1-CE1 4.08Å; L395-F469 HydrophobicContact CG-CD1 4.29Å; V398-F469 HydrophobicContact CG1-CE1 4.4Å; Y399-F469 HydrophobicContact CD2-CB 4.45Å; Y399-F469 AromaticContact CD2-CD1 3.89Å; Y399-F469 HydrophobicContact CD2-CD1 3.89Å; Y399-F469 HydrophobicContact CD2-CD2 4.33Å; Y399-F469 HydrophobicContact CD2-CE1 4.22Å; Y399-F469 AromaticContact CD2-CG 3.95Å; Y399-F469 HydrophobicContact CD2-CG 3.95Å; Y399-F469 HydrophobicContact CG-CD1 4.42Å; N402-F469 HydrophobicContact CB-CE2 4.16Å; N402-F469 HydrophobicContact CB-CZ 3.77Å; N402-F469 WeakPolarHBondContact ND2-CE2 3.37Å; I464-F469 HydrophobicContact CB-CE2 4.22Å; I464-F469 HydrophobicContact CG2-CE2 4.28Å; F466-F469 WeakPolarHBondContact O-CB 3.44Å; F466-F469 PolarHBondContact O-N 2.72Å; E467-F469 PolarHBondContact O-N 3.28Å; F469-F502 CarbonylContact C-O 3.59Å; F469-F502 HydrophobicContact CB-CD2 4.31Å; F469-F502 HydrophobicContact CD1-CD2 4.31Å
470	V	92.9	Very high	89.7	Confident	32 Å²	32	51.2 Å²	51.2	19%	0.194	25%	0.248	C	C	.	.			trans	-70.7	134.9	179.5	175.9	0	0	0	0	110.5	E467 N505	E467-V470 WeakPolarHBondContact O-CB 3.16Å; E467-V470 PolarHBondContact O-N 3.03Å; V470-N505 HydrophobicContact CG1-CB 3.67Å
471	N	93	Very high	89.9	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.032	25%	0.254	C	S	.	.			trans	-111.1	95.9	176.7	-170.6	-86.6	0	0	0	110.9	T368 L474 N475 V503	T368-N471 PolarHBondContact OG1-ND2 2.79Å; N471-L474 HydrophobicContact CB-CB 4.11Å; N471-L474 WeakPolarHBondContact O-CB 3.38Å; N471-L474 PolarHBondContact O-N 3.19Å; N471-L474 VanDerWaalsContact OD1-CB 3.24Å; N471-L474 WeakPolarHBondContact OD1-CB 3.46Å; N471-L474 PolarHBondContact OD1-N 2.8Å; N471-N475 PolarHBondContact O-N 3Å; N471-N475 PolarHBondContact O-ND2 2.79Å; N471-V503 HydrophobicContact CB-CG1 3.62Å; N471-V503 PolarHBondContact N-O 3.16Å; N471-V503 VanDerWaalsContact N-O 3.15Å
472	E	90.3	Very high	89.9	Confident	96 Å²	96	45.2 Å²	45.2	45%	0.449	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-42.9	-175.5	-61	-62.9	174.7	0	0	114.4	L474 N475 E476 N505	E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.82Å; E472-N475 WeakPolarHBondContact O-CA 3.49Å; E472-N475 WeakPolarHBondContact O-CB 3.46Å; E472-N475 PolarHBondContact O-N 3.47Å; E472-E476 PolarHBondContact O-N 3.09Å; E472-N505 PolarHBondContact OE2-ND2 3.33Å
473	P	90.6	Very high	89.8	Confident	37 Å²	37	43.8 Å²	43.8	24%	0.24	22%	0.223	C	C	.	.	H	α-helix	trans	-57.4	-39	176.5	-27.1	36.7	0	0	0	113.5	T368 V371 E476 V477	T368-P473 HydrophobicContact CG2-CG 4.09Å; V371-P473 HydrophobicContact CG1-CB 4.01Å; V371-P473 WeakPolarHBondContact CG1-O 3.49Å; P473-E476 PolarHBondContact O-N 3.19Å; P473-V477 WeakPolarHBondContact O-CG2 3.45Å; P473-V477 PolarHBondContact O-N 3.47Å
474	L	91.9	Very high	89.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.1	-41.9	172.7	176.1	65.9	0	0	0	111.6	I367 V371 V382 V388 N471 E472 E476 V477 L478 F497 V503	I367-L474 HydrophobicContact CG2-CB 4.27Å; I367-L474 HydrophobicContact CG2-CD2 4.4Å; V371-L474 HydrophobicContact CG2-CD1 4.39Å; V382-L474 HydrophobicContact CB-CD1 4.24Å; V382-L474 HydrophobicContact CG1-CD1 3.63Å; V388-L474 HydrophobicContact CG1-CD1 4.41Å; N471-L474 HydrophobicContact CB-CB 4.11Å; N471-L474 WeakPolarHBondContact O-CB 3.38Å; N471-L474 PolarHBondContact O-N 3.19Å; N471-L474 VanDerWaalsContact OD1-CB 3.24Å; N471-L474 WeakPolarHBondContact OD1-CB 3.46Å; N471-L474 PolarHBondContact OD1-N 2.8Å; E472-L474 VanDerWaalsContact C-N 3.29Å; E472-L474 PolarHBondContact O-N 2.82Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 3.49Å; L474-V477 PolarHBondContact O-N 3.17Å; L474-L478 VanDerWaalsContact O-CB 3.24Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 PolarHBondContact O-N 3.09Å; L474-F497 HydrophobicContact CD1-CD1 4.46Å; L474-F497 HydrophobicContact CD1-CE1 4.01Å; L474-F497 HydrophobicContact CD1-CE2 4.3Å; L474-F497 HydrophobicContact CD1-CZ 3.93Å; L474-F497 HydrophobicContact CD2-CD1 3.74Å; L474-F497 HydrophobicContact CD2-CE1 3.78Å; L474-F497 HydrophobicContact CD2-CG 4.47Å; L474-V503 HydrophobicContact CD2-CG1 3.68Å
475	N	90.6	Very high	89.1	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-66.3	-32	-179.4	-77.6	-94.4	0	0	0	112.5	N471 E472 V503 L504 N505 T508	N471-N475 PolarHBondContact O-N 3Å; N471-N475 PolarHBondContact O-ND2 2.79Å; E472-N475 WeakPolarHBondContact O-CA 3.49Å; E472-N475 WeakPolarHBondContact O-CB 3.46Å; E472-N475 PolarHBondContact O-N 3.47Å; N475-V503 PolarHBondContact ND2-O 3.13Å; N475-L504 WeakPolarHBondContact OD1-CA 3.39Å; N475-N505 PolarHBondContact OD1-N 3.11Å; N475-T508 WeakPolarHBondContact OD1-CB 3.13Å; N475-T508 WeakPolarHBondContact OD1-CG2 3.23Å; N475-T508 PolarHBondContact OD1-OG1 3.46Å
476	E	87.6	Confident	88.7	Confident	168 Å²	168	42.9 Å²	42.9	79%	0.785	22%	0.215	S	C	*	.	H	α-helix	trans	-69.8	-34.2	175.6	-69.3	-176.4	168.5	0	0	113.3	E472 P473 L474	E472-E476 PolarHBondContact O-N 3.09Å; P473-E476 PolarHBondContact O-N 3.19Å; L474-E476 VanDerWaalsContact C-N 3.32Å; L474-E476 PolarHBondContact O-N 3.49Å
477	V	89.8	Confident	88.3	Confident	53 Å²	53	42.8 Å²	42.8	32%	0.321	22%	0.215	S	C	.	.	H	α-helix	trans	-93.8	-17.6	-173.9	-179.1	0	0	0	0	112.6	V371 F376 V382 P473 L474 E479	V371-V477 HydrophobicContact CG1-CB 4.35Å; V371-V477 HydrophobicContact CG1-CG2 3.9Å; F376-V477 HydrophobicContact CB-CG1 3.4Å; F376-V477 VanDerWaalsContact CB-CG1 3.4Å; F376-V477 HydrophobicContact CD2-CG1 4.02Å; F376-V477 HydrophobicContact CG-CG1 3.96Å; V382-V477 HydrophobicContact CG2-CB 4.25Å; V382-V477 HydrophobicContact CG2-CG1 3.54Å; P473-V477 WeakPolarHBondContact O-CG2 3.45Å; P473-V477 PolarHBondContact O-N 3.47Å; L474-V477 PolarHBondContact O-N 3.17Å; V477-E479 PolarHBondContact O-N 2.92Å
478	L	90.1	Very high	87.6	Confident	14 Å²	14	39.6 Å²	39.6	7%	0.073	20%	0.199	C	C	.	.			trans	-73.1	111.4	-175	-176.5	60.3	0	0	0	113.3	L474 M480 D483 F497 L504 T508	L474-L478 VanDerWaalsContact O-CB 3.24Å; L474-L478 WeakPolarHBondContact O-CB 3.32Å; L474-L478 PolarHBondContact O-N 3.09Å; L478-M480 HydrophobicContact CD2-SD 3.49Å; L478-M480 WeakPolarHBondContact CD2-SD 3.43Å; L478-M480 HydrophobicContact CG-CG 4.46Å; L478-M480 HydrophobicContact CG-SD 3.8Å; L478-M480 PolarHBondContact O-N 3Å; L478-D483 HydrophobicContact CD1-CB 4.06Å; L478-D483 HydrophobicContact CG-CB 4.47Å; L478-F497 HydrophobicContact CD1-CD2 3.6Å; L478-F497 HydrophobicContact CD1-CE2 4.12Å; L478-F497 HydrophobicContact CD1-CG 4.47Å; L478-F497 HydrophobicContact CD2-CB 3.96Å; L478-F497 HydrophobicContact CD2-CD2 4.23Å; L478-F497 HydrophobicContact CD2-CG 4.32Å; L478-L504 HydrophobicContact CD2-CD2 3.65Å; L478-T508 HydrophobicContact CD2-CG2 4.18Å
479	E	88.6	Confident	86.6	Confident	57 Å²	57	39.1 Å²	39.1	27%	0.266	20%	0.201	S	C	.	.			trans	-74.1	88.9	172.6	-68.2	-174.9	163.7	0	0	111.1	S378 L381 V477 D481 K482 D483	S378-E479 VanDerWaalsContact CA-OE1 3.28Å; S378-E479 WeakPolarHBondContact CA-OE1 3.32Å; S378-E479 WeakPolarHBondContact CB-OE1 3.47Å; S378-E479 PolarHBondContact N-OE1 3.16Å; L381-E479 VanDerWaalsContact CD2-OE2 3.23Å; L381-E479 WeakPolarHBondContact CD2-OE2 3.43Å; V477-E479 PolarHBondContact O-N 2.92Å; E479-D481 VanDerWaalsContact C-N 3.29Å; E479-D481 PolarHBondContact O-N 3.02Å; E479-K482 HydrophobicContact CB-CD 4.46Å; E479-K482 PolarHBondContact O-N 3.31Å; E479-K482 VanDerWaalsContact O-N 3.08Å; E479-K482 VanDerWaalsContact OE2-CD 3.29Å; E479-K482 WeakPolarHBondContact OE2-CD 3.44Å; E479-K482 WeakPolarHBondContact OE2-CE 3.32Å; E479-K482 IonicContact OE2-NZ 3.51Å; E479-K482 PolarHBondContact OE2-NZ 3.18Å; E479-D483 PolarHBondContact O-N 2.87Å
480	M	86.9	Confident	85	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-23.9	-172.2	-78.5	-56.3	-59.4	0	0	116.1	L478 K482 D483 Y484 M498 T508 L511 Y515	L478-M480 HydrophobicContact CD2-SD 3.49Å; L478-M480 WeakPolarHBondContact CD2-SD 3.43Å; L478-M480 HydrophobicContact CG-CG 4.46Å; L478-M480 HydrophobicContact CG-SD 3.8Å; L478-M480 PolarHBondContact O-N 3Å; M480-K482 VanDerWaalsContact C-N 3.32Å; M480-D483 HydrophobicContact SD-CB 4.25Å; M480-Y484 VanDerWaalsContact O-CB 3.23Å; M480-Y484 WeakPolarHBondContact O-CB 3.32Å; M480-Y484 PolarHBondContact O-N 3.28Å; M480-M498 HydrophobicContact CE-CG 3.8Å; M480-M498 HydrophobicContact CE-SD 3.72Å; M480-T508 HydrophobicContact CE-CG2 4.34Å; M480-T508 HydrophobicContact CG-CG2 3.61Å; M480-T508 HydrophobicContact SD-CG2 3.38Å; M480-T508 WeakPolarHBondContact SD-CG2 3.36Å; M480-L511 HydrophobicContact CB-CD2 3.92Å; M480-L511 HydrophobicContact CB-CG 4.05Å; M480-L511 HydrophobicContact CG-CD2 4.12Å; M480-L511 HydrophobicContact CG-CG 4.42Å; M480-Y515 HydrophobicContact CB-CD2 4.13Å; M480-Y515 HydrophobicContact CB-CE2 3.93Å
481	D	83.2	Confident	83.4	Confident	66 Å²	66	44.9 Å²	44.9	35%	0.353	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-37.3	173.8	65.7	-44.3	0	0	0	111.4	E479 T485 Y515	E479-D481 VanDerWaalsContact C-N 3.29Å; E479-D481 PolarHBondContact O-N 3.02Å; D481-T485 PolarHBondContact O-N 3.22Å; D481-T485 PolarHBondContact O-OG1 3.23Å; D481-Y515 HydrophobicContact CB-CD1 4.35Å; D481-Y515 HydrophobicContact CB-CD2 4.3Å; D481-Y515 HydrophobicContact CB-CE1 4Å; D481-Y515 HydrophobicContact CB-CE2 3.94Å
482	K	85	Confident	81.7	Confident	54 Å²	54	54.1 Å²	54.1	24%	0.235	27%	0.273	C	S	.	.	H	α-helix	trans	-80.1	-42	176	-63.9	-179.8	-168.8	164.2	0	111.7	S378 L381 E479 M480 Y484 T485 F486	S378-K482 PolarHBondContact O-NZ 3.04Å; L381-K482 HydrophobicContact CD1-CB 4.4Å; L381-K482 HydrophobicContact CD1-CD 3.85Å; L381-K482 HydrophobicContact CD2-CD 3.84Å; E479-K482 HydrophobicContact CB-CD 4.46Å; E479-K482 PolarHBondContact O-N 3.31Å; E479-K482 VanDerWaalsContact O-N 3.08Å; E479-K482 VanDerWaalsContact OE2-CD 3.29Å; E479-K482 WeakPolarHBondContact OE2-CD 3.44Å; E479-K482 WeakPolarHBondContact OE2-CE 3.32Å; E479-K482 IonicContact OE2-NZ 3.51Å; E479-K482 PolarHBondContact OE2-NZ 3.18Å; M480-K482 VanDerWaalsContact C-N 3.32Å; K482-Y484 PolarHBondContact O-N 3.18Å; K482-T485 WeakPolarHBondContact O-CA 3.35Å; K482-T485 WeakPolarHBondContact O-CB 3.29Å; K482-T485 PolarHBondContact O-N 3.13Å; K482-F486 HydrophobicContact CB-CE2 4.23Å; K482-F486 HydrophobicContact CB-CZ 4.22Å; K482-F486 WeakPolarHBondContact O-CD2 3.35Å; K482-F486 WeakPolarHBondContact O-CG 3.41Å; K482-F486 PolarHBondContact O-N 3.22Å
483	D	86.7	Confident	80.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-46.8	176.3	-163.7	90.3	0	0	0	111.4	N383 L478 E479 M480 T485 F486 F487 S496 F497 M498	N383-D483 PolarHBondContact ND2-OD1 3.24Å; L478-D483 HydrophobicContact CD1-CB 4.06Å; L478-D483 HydrophobicContact CG-CB 4.47Å; E479-D483 PolarHBondContact O-N 2.87Å; M480-D483 HydrophobicContact SD-CB 4.25Å; D483-T485 VanDerWaalsContact C-N 3.26Å; D483-T485 PolarHBondContact O-N 2.84Å; D483-F486 PolarHBondContact O-N 3.33Å; D483-F486 VanDerWaalsContact O-N 3.11Å; D483-F487 WeakPolarHBondContact O-CB 3.48Å; D483-F487 PolarHBondContact O-N 2.98Å; D483-S496 WeakPolarHBondContact OD1-CA 3.47Å; D483-S496 WeakPolarHBondContact OD2-CB 3.42Å; D483-S496 PolarHBondContact OD2-OG 3.47Å; D483-F497 WeakPolarHBondContact OD1-CD2 3.4Å; D483-F497 PolarHBondContact OD1-N 3.06Å; D483-F497 PolarHBondContact OD2-N 2.99Å; D483-M498 WeakPolarHBondContact OD2-CG 3.4Å; D483-M498 PolarHBondContact OD2-N 2.9Å; D483-M498 VanDerWaalsContact OD2-N 3.14Å
484	Y	84.8	Confident	79.7	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.016	29%	0.293	C	S	.	.	H	α-helix	trans	-59.9	-35.7	173.6	173.8	-92.5	0	0	0	112.4	M480 K482 F487 K488 M498 D516 I519	M480-Y484 VanDerWaalsContact O-CB 3.23Å; M480-Y484 WeakPolarHBondContact O-CB 3.32Å; M480-Y484 PolarHBondContact O-N 3.28Å; K482-Y484 PolarHBondContact O-N 3.18Å; Y484-F487 WeakPolarHBondContact O-CB 3.47Å; Y484-F487 PolarHBondContact O-N 3.06Å; Y484-K488 HydrophobicContact CE1-CB 4.34Å; Y484-K488 HydrophobicContact CE1-CD 4.05Å; Y484-K488 WeakPolarHBondContact O-CB 3.38Å; Y484-K488 PolarHBondContact O-N 3.28Å; Y484-K488 PolarHBondContact OH-NZ 3.21Å; Y484-M498 HydrophobicContact CD2-CE 4.06Å; Y484-M498 HydrophobicContact CD2-SD 4.06Å; Y484-D516 HydrophobicContact CD2-CB 4.24Å; Y484-D516 HydrophobicContact CE2-CB 3.45Å; Y484-D516 VanDerWaalsContact CE2-CB 3.45Å; Y484-D516 WeakPolarHBondContact CE2-OD1 3.41Å; Y484-D516 VanDerWaalsContact CZ-OD1 3.27Å; Y484-D516 PolarHBondContact OH-OD1 2.91Å; Y484-I519 HydrophobicContact CD1-CD1 3.69Å; Y484-I519 HydrophobicContact CE1-CD1 3.5Å
485	T	81.7	Confident	79.5	Confident	65 Å²	65	59.5 Å²	59.5	40%	0.399	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-41.6	175.2	-60.2	0	0	0	0	111.5	D481 K482 D483 K488 V489	D481-T485 PolarHBondContact O-N 3.22Å; D481-T485 PolarHBondContact O-OG1 3.23Å; K482-T485 WeakPolarHBondContact O-CA 3.35Å; K482-T485 WeakPolarHBondContact O-CB 3.29Å; K482-T485 PolarHBondContact O-N 3.13Å; D483-T485 VanDerWaalsContact C-N 3.26Å; D483-T485 PolarHBondContact O-N 2.84Å; T485-K488 PolarHBondContact O-N 2.97Å; T485-V489 HydrophobicContact CG2-CG2 4.32Å; T485-V489 WeakPolarHBondContact O-CB 3.49Å; T485-V489 WeakPolarHBondContact O-CG2 3.49Å; T485-V489 PolarHBondContact O-N 3.32Å
486	F	83.9	Confident	79.4	Confident	30 Å²	30	59.1 Å²	59.1	13%	0.132	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-39.6	174.4	-54.3	-31.3	0	0	0	111.7	L381 N383 K482 D483 E490 K494	L381-F486 HydrophobicContact CD1-CE2 3.77Å; L381-F486 HydrophobicContact CD1-CZ 3.71Å; N383-F486 HydrophobicContact CB-CD2 4.2Å; N383-F486 HydrophobicContact CB-CE2 4.02Å; K482-F486 HydrophobicContact CB-CE2 4.23Å; K482-F486 HydrophobicContact CB-CZ 4.22Å; K482-F486 WeakPolarHBondContact O-CD2 3.35Å; K482-F486 WeakPolarHBondContact O-CG 3.41Å; K482-F486 PolarHBondContact O-N 3.22Å; D483-F486 PolarHBondContact O-N 3.33Å; D483-F486 VanDerWaalsContact O-N 3.11Å; F486-E490 PolarHBondContact O-N 3.15Å; F486-K494 HydrophobicContact CD1-CB 4.26Å; F486-K494 HydrophobicContact CD1-CD 3.81Å; F486-K494 HydrophobicContact CD2-CB 4.48Å; F486-K494 HydrophobicContact CE1-CD 3.45Å; F486-K494 VanDerWaalsContact CE1-CD 3.45Å; F486-K494 HydrophobicContact CE2-CD 4.19Å; F486-K494 HydrophobicContact CG-CB 4.17Å; F486-K494 HydrophobicContact CG-CD 4.35Å; F486-K494 HydrophobicContact CZ-CD 3.68Å
487	F	81.6	Confident	79.5	Confident	17 Å²	17	51.1 Å²	51.1	8%	0.075	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-51.2	171.7	-174.6	-106.8	0	0	0	110.7	R444 D483 Y484 S496 M498 T499 P765 Y768	R444-F487 VanDerWaalsContact CZ-O 3.24Å; R444-F487 VanDerWaalsContact NH1-CD2 3.29Å; R444-F487 VanDerWaalsContact NH1-CE1 3.28Å; R444-F487 PolarHBondContact NH1-O 3.39Å; R444-F487 PolarHBondContact NH2-O 3.18Å; D483-F487 WeakPolarHBondContact O-CB 3.48Å; D483-F487 PolarHBondContact O-N 2.98Å; Y484-F487 WeakPolarHBondContact O-CB 3.47Å; Y484-F487 PolarHBondContact O-N 3.06Å; F487-S496 WeakPolarHBondContact CB-OG 3.18Å; F487-M498 HydrophobicContact CB-CB 4.28Å; F487-M498 HydrophobicContact CB-SD 4.17Å; F487-M498 HydrophobicContact CD1-CE 4.12Å; F487-M498 HydrophobicContact CD1-SD 4.42Å; F487-M498 HydrophobicContact CD2-CB 3.53Å; F487-M498 HydrophobicContact CE1-CE 4.31Å; F487-M498 HydrophobicContact CE2-CB 3.96Å; F487-M498 HydrophobicContact CG-CB 3.93Å; F487-M498 HydrophobicContact CG-CE 4.4Å; F487-M498 HydrophobicContact CG-SD 4.23Å; F487-T499 HydrophobicContact CD2-CG2 4.04Å; F487-T499 HydrophobicContact CE2-CG2 4.3Å; F487-P765 HydrophobicContact CE1-CB 4.25Å; F487-Y768 HydrophobicContact CE2-CD1 4.33Å; F487-Y768 AromaticContact CE2-CE1 3.91Å; F487-Y768 HydrophobicContact CE2-CE1 3.91Å; F487-Y768 HydrophobicContact CZ-CD1 4.07Å; F487-Y768 HydrophobicContact CZ-CE1 4.12Å
488	K	75.3	Confident	79.4	Confident	52 Å²	52	48.7 Å²	48.7	23%	0.226	24%	0.244	C	C	.	.	H	α-helix	trans	-69.5	-46.2	-175.3	-170.8	173.1	-163.8	155.3	0	113.2	N439 Y484 T485 E490	N439-K488 VanDerWaalsContact OD1-CE 3.3Å; N439-K488 WeakPolarHBondContact OD1-CE 3.41Å; Y484-K488 HydrophobicContact CE1-CB 4.34Å; Y484-K488 HydrophobicContact CE1-CD 4.05Å; Y484-K488 WeakPolarHBondContact O-CB 3.38Å; Y484-K488 PolarHBondContact O-N 3.28Å; Y484-K488 PolarHBondContact OH-NZ 3.21Å; T485-K488 PolarHBondContact O-N 2.97Å; K488-E490 VanDerWaalsContact C-N 3.34Å; K488-E490 PolarHBondContact O-N 3.31Å
489	V	70.6	Confident	79.2	Confident	53 Å²	53	50.1 Å²	50.1	32%	0.321	25%	0.253	S	S	.	.	H	α-helix	trans	-84.7	-5.6	-167.6	-178	0	0	0	0	113.3	T485 T491	T485-V489 HydrophobicContact CG2-CG2 4.32Å; T485-V489 WeakPolarHBondContact O-CB 3.49Å; T485-V489 WeakPolarHBondContact O-CG2 3.49Å; T485-V489 PolarHBondContact O-N 3.32Å; V489-T491 VanDerWaalsContact C-N 3.29Å; V489-T491 PolarHBondContact O-N 3.14Å
490	E	60.9	Low	79.2	Confident	91 Å²	91	47.5 Å²	47.5	43%	0.425	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	47.6	174.3	-119.8	174.6	-108.7	0	0	112.5	K440 R444 F486 K488 E492	K440-E490 WeakPolarHBondContact CE-OE2 3.32Å; K440-E490 IonicContact NZ-OE1 3.14Å; K440-E490 IonicContact NZ-OE2 2.77Å; K440-E490 PolarHBondContact NZ-OE2 2.84Å; R444-E490 IonicContact CZ-OE1 3.02Å; R444-E490 IonicContact NE-OE1 2.6Å; R444-E490 PolarHBondContact NE-OE1 3.13Å; R444-E490 IonicContact NH2-OE1 2.85Å; R444-E490 PolarHBondContact NH2-OE1 3.1Å; F486-E490 PolarHBondContact O-N 3.15Å; K488-E490 VanDerWaalsContact C-N 3.34Å; K488-E490 PolarHBondContact O-N 3.31Å; E490-E492 PolarHBondContact O-N 3.3Å
491	T	58.2	Low	79.3	Confident	62 Å²	62	48.4 Å²	48.4	38%	0.38	25%	0.247	S	C	.	.			trans	-77.4	112.4	-178.3	-52.3	0	0	0	0	109.9	V489 N493 K494	V489-T491 VanDerWaalsContact C-N 3.29Å; V489-T491 PolarHBondContact O-N 3.14Å; T491-N493 PolarHBondContact O-N 3.1Å; T491-K494 PolarHBondContact O-N 3.34Å
492	E	57.1	Low	79.7	Confident	200 Å²	200	45.7 Å²	45.7	94%	0.935	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	-25	-174.9	-63.5	-178	158.1	0	0	115.2	E490	E490-E492 PolarHBondContact O-N 3.3Å
493	N	62.5	Low	80.1	Confident	151 Å²	151	43.1 Å²	43.1	81%	0.807	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	0.9	-177.8	-68.3	-32.8	0	0	0	115.5	T491	T491-N493 PolarHBondContact O-N 3.1Å
494	K	77.6	Confident	80.4	Confident	70 Å²	70	43.2 Å²	43.2	30%	0.304	22%	0.222	S	C	.	.			trans	-132.7	130.7	-178.7	-78.9	-174.2	165.6	-81.3	0	112.7	D384 F486 T491	D384-K494 IonicContact OD1-NZ 3.94Å; D384-K494 PolarHBondContact OD1-NZ 3.05Å; D384-K494 IonicContact OD2-NZ 2.67Å; D384-K494 PolarHBondContact OD2-NZ 3.09Å; F486-K494 HydrophobicContact CD1-CB 4.26Å; F486-K494 HydrophobicContact CD1-CD 3.81Å; F486-K494 HydrophobicContact CD2-CB 4.48Å; F486-K494 HydrophobicContact CE1-CD 3.45Å; F486-K494 VanDerWaalsContact CE1-CD 3.45Å; F486-K494 HydrophobicContact CE2-CD 4.19Å; F486-K494 HydrophobicContact CG-CB 4.17Å; F486-K494 HydrophobicContact CG-CD 4.35Å; F486-K494 HydrophobicContact CZ-CD 3.68Å; T491-K494 PolarHBondContact O-N 3.34Å
495	F	86.9	Confident	80.6	Confident	25 Å²	25	44.2 Å²	44.2	11%	0.11	23%	0.227	C	C	.	.			trans	-83.8	150.4	177.5	-177.3	-105.1	0	0	0	111.4	N383 V389 T392 K393 F497	N383-F495 PolarHBondContact ND2-O 3.29Å; V389-F495 HydrophobicContact CB-CD1 4.25Å; V389-F495 HydrophobicContact CB-CG 4.39Å; V389-F495 HydrophobicContact CG1-CB 3.78Å; V389-F495 HydrophobicContact CG1-CD1 3.86Å; V389-F495 HydrophobicContact CG1-CD2 3.9Å; V389-F495 HydrophobicContact CG1-CE1 4.38Å; V389-F495 HydrophobicContact CG1-CE2 4.43Å; V389-F495 HydrophobicContact CG1-CG 3.56Å; V389-F495 HydrophobicContact CG2-CB 3.92Å; V389-F495 HydrophobicContact CG2-CD1 3.67Å; V389-F495 HydrophobicContact CG2-CE1 4.46Å; V389-F495 HydrophobicContact CG2-CG 3.99Å; T392-F495 HydrophobicContact CG2-CE1 4.16Å; T392-F495 HydrophobicContact CG2-CZ 4.02Å; K393-F495 HydrophobicContact CG-CE2 4.22Å; F495-F497 HydrophobicContact CD1-CD1 4.43Å; F495-F497 HydrophobicContact CD1-CD2 4.46Å; F495-F497 HydrophobicContact CD1-CE1 4.34Å; F495-F497 HydrophobicContact CD1-CE2 4.37Å; F495-F497 HydrophobicContact CD1-CG 4.48Å; F495-F497 HydrophobicContact CD1-CZ 4.31Å; F495-F497 AromaticContact CE1-CD1 3.72Å; F495-F497 HydrophobicContact CE1-CD1 3.72Å; F495-F497 HydrophobicContact CE1-CD2 4.46Å; F495-F497 AromaticContact CE1-CE1 3.85Å; F495-F497 HydrophobicContact CE1-CE1 3.85Å; F495-F497 HydrophobicContact CE1-CG 4.05Å; F495-F497 HydrophobicContact CE1-CZ 4.28Å
496	S	88.9	Confident	80.9	Confident	4 Å²	4	42.3 Å²	42.3	3%	0.028	22%	0.218	C	C	.	.			trans	-127.5	130.4	171.9	154.6	0	0	0	0	109.5	D483 F487 M498 T499	D483-S496 WeakPolarHBondContact OD1-CA 3.47Å; D483-S496 WeakPolarHBondContact OD2-CB 3.42Å; D483-S496 PolarHBondContact OD2-OG 3.47Å; F487-S496 WeakPolarHBondContact CB-OG 3.18Å; S496-M498 PolarHBondContact O-N 2.82Å; S496-M498 WeakPolarHBondContact OG-CB 3.49Å; S496-M498 PolarHBondContact OG-N 3.42Å; S496-T499 WeakPolarHBondContact O-CB 3.38Å; S496-T499 PolarHBondContact O-N 3.31Å; S496-T499 VanDerWaalsContact O-N 3.13Å; S496-T499 PolarHBondContact O-OG1 3.2Å
497	F	90.1	Very high	81	Confident	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-70.5	-20.7	177.5	-66.1	-85.9	0	0	0	112.2	V382 V388 T392 L474 L478 D483 F495 T499 C500 L504	V382-F497 HydrophobicContact CB-CE2 4.28Å; V382-F497 HydrophobicContact CB-CZ 4.45Å; V382-F497 HydrophobicContact CG1-CE2 4.4Å; V382-F497 HydrophobicContact CG1-CZ 4.09Å; V388-F497 HydrophobicContact CG1-CE1 4.07Å; V388-F497 HydrophobicContact CG1-CZ 3.93Å; T392-F497 HydrophobicContact CG2-CD1 4.13Å; T392-F497 HydrophobicContact CG2-CE1 4.28Å; L474-F497 HydrophobicContact CD1-CD1 4.46Å; L474-F497 HydrophobicContact CD1-CE1 4.01Å; L474-F497 HydrophobicContact CD1-CE2 4.3Å; L474-F497 HydrophobicContact CD1-CZ 3.93Å; L474-F497 HydrophobicContact CD2-CD1 3.74Å; L474-F497 HydrophobicContact CD2-CE1 3.78Å; L474-F497 HydrophobicContact CD2-CG 4.47Å; L478-F497 HydrophobicContact CD1-CD2 3.6Å; L478-F497 HydrophobicContact CD1-CE2 4.12Å; L478-F497 HydrophobicContact CD1-CG 4.47Å; L478-F497 HydrophobicContact CD2-CB 3.96Å; L478-F497 HydrophobicContact CD2-CD2 4.23Å; L478-F497 HydrophobicContact CD2-CG 4.32Å; D483-F497 WeakPolarHBondContact OD1-CD2 3.4Å; D483-F497 PolarHBondContact OD1-N 3.06Å; D483-F497 PolarHBondContact OD2-N 2.99Å; F495-F497 HydrophobicContact CD1-CD1 4.43Å; F495-F497 HydrophobicContact CD1-CD2 4.46Å; F495-F497 HydrophobicContact CD1-CE1 4.34Å; F495-F497 HydrophobicContact CD1-CE2 4.37Å; F495-F497 HydrophobicContact CD1-CG 4.48Å; F495-F497 HydrophobicContact CD1-CZ 4.31Å; F495-F497 AromaticContact CE1-CD1 3.72Å; F495-F497 HydrophobicContact CE1-CD1 3.72Å; F495-F497 HydrophobicContact CE1-CD2 4.46Å; F495-F497 AromaticContact CE1-CE1 3.85Å; F495-F497 HydrophobicContact CE1-CE1 3.85Å; F495-F497 HydrophobicContact CE1-CG 4.05Å; F495-F497 HydrophobicContact CE1-CZ 4.28Å; F497-T499 PolarHBondContact O-N 2.94Å; F497-T499 VanDerWaalsContact O-N 3.12Å; F497-C500 CarbonylContact O-C 3.56Å; F497-C500 VanDerWaalsContact O-C 3.28Å; F497-C500 WeakPolarHBondContact O-CA 3.43Å; F497-C500 PolarHBondContact O-N 2.72Å; F497-L504 HydrophobicContact CB-CD2 4.02Å
498	M	86.2	Confident	81.3	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60	-17.2	168	-67.6	179	72.2	0	0	113.6	M480 D483 Y484 F487 S496 C500 L504 Y768 L769	M480-M498 HydrophobicContact CE-CG 3.8Å; M480-M498 HydrophobicContact CE-SD 3.72Å; D483-M498 WeakPolarHBondContact OD2-CG 3.4Å; D483-M498 PolarHBondContact OD2-N 2.9Å; D483-M498 VanDerWaalsContact OD2-N 3.14Å; Y484-M498 HydrophobicContact CD2-CE 4.06Å; Y484-M498 HydrophobicContact CD2-SD 4.06Å; F487-M498 HydrophobicContact CB-CB 4.28Å; F487-M498 HydrophobicContact CB-SD 4.17Å; F487-M498 HydrophobicContact CD1-CE 4.12Å; F487-M498 HydrophobicContact CD1-SD 4.42Å; F487-M498 HydrophobicContact CD2-CB 3.53Å; F487-M498 HydrophobicContact CE1-CE 4.31Å; F487-M498 HydrophobicContact CE2-CB 3.96Å; F487-M498 HydrophobicContact CG-CB 3.93Å; F487-M498 HydrophobicContact CG-CE 4.4Å; F487-M498 HydrophobicContact CG-SD 4.23Å; S496-M498 PolarHBondContact O-N 2.82Å; S496-M498 WeakPolarHBondContact OG-CB 3.49Å; S496-M498 PolarHBondContact OG-N 3.42Å; M498-C500 VanDerWaalsContact C-N 3.26Å; M498-L504 HydrophobicContact CG-CD1 4.24Å; M498-Y768 WeakPolarHBondContact O-CE1 3.26Å; M498-L769 HydrophobicContact CB-CD2 4.15Å; M498-L769 HydrophobicContact CE-CD1 3.47Å; M498-L769 VanDerWaalsContact CE-CD1 3.47Å; M498-L769 HydrophobicContact CE-CD2 4.1Å; M498-L769 HydrophobicContact CE-CG 4.42Å; M498-L769 WeakPolarHBondContact O-CD2 3.14Å
499	T	87	Confident	82	Confident	44 Å²	44	40.7 Å²	40.7	27%	0.27	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-79.1	-6.2	170.1	70.1	0	0	0	0	114.1	F487 S496 F497 Y768	F487-T499 HydrophobicContact CD2-CG2 4.04Å; F487-T499 HydrophobicContact CE2-CG2 4.3Å; S496-T499 WeakPolarHBondContact O-CB 3.38Å; S496-T499 PolarHBondContact O-N 3.31Å; S496-T499 VanDerWaalsContact O-N 3.13Å; S496-T499 PolarHBondContact O-OG1 3.2Å; F497-T499 PolarHBondContact O-N 2.94Å; F497-T499 VanDerWaalsContact O-N 3.12Å; T499-Y768 WeakPolarHBondContact CA-OH 3.47Å; T499-Y768 PolarHBondContact O-OH 2.86Å
500	C	89.2	Confident	82.8	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.02	21%	0.205	C	C	.	.	S	Bend	trans	-131.8	63	177.8	-69.6	0	0	0	0	109	T392 F497 M498 F502 V503	T392-C500 HydrophobicContact CG2-CB 3.85Å; F497-C500 CarbonylContact O-C 3.56Å; F497-C500 VanDerWaalsContact O-C 3.28Å; F497-C500 WeakPolarHBondContact O-CA 3.43Å; F497-C500 PolarHBondContact O-N 2.72Å; M498-C500 VanDerWaalsContact C-N 3.26Å; C500-F502 HydrophobicContact CB-CD1 4.31Å; C500-F502 HydrophobicContact CB-CE1 3.58Å; C500-F502 HydrophobicContact CB-CZ 3.89Å; C500-F502 PolarHBondContact O-N 3.31Å; C500-V503 PolarHBondContact O-N 3.27Å
501	P	88.9	Confident	84	Confident	23 Å²	23	37.8 Å²	37.8	15%	0.149	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-62.2	-15.8	-168.3	25	-35.1	0	0	0	114.2	V503 L504 K509 L769	P501-V503 VanDerWaalsContact C-N 3.29Å; P501-V503 PolarHBondContact O-N 2.94Å; P501-L504 PolarHBondContact O-N 3.04Å; P501-K509 WeakPolarHBondContact O-CE 3.41Å; P501-K509 PolarHBondContact O-NZ 2.78Å; P501-L769 HydrophobicContact CB-CD2 4.25Å
502	F	90.9	Very high	85.3	Confident	9 Å²	9	34.9 Å²	34.9	4%	0.039	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-68	-20.6	177.6	62.9	-91.4	0	0	0	114.6	L395 K396 Y399 F469 C500	L395-F502 HydrophobicContact CB-CE2 4.28Å; L395-F502 HydrophobicContact CD2-CE2 4Å; L395-F502 HydrophobicContact CG-CE2 3.83Å; K396-F502 HydrophobicContact CB-CE1 3.73Å; K396-F502 HydrophobicContact CB-CZ 3.58Å; K396-F502 HydrophobicContact CD-CE1 4.47Å; K396-F502 HydrophobicContact CG-CE1 3.9Å; K396-F502 HydrophobicContact CG-CZ 4.28Å; Y399-F502 HydrophobicContact CD1-CB 4.17Å; Y399-F502 AromaticContact CD1-CD1 3.86Å; Y399-F502 HydrophobicContact CD1-CD1 3.86Å; Y399-F502 AromaticContact CD1-CG 3.98Å; Y399-F502 HydrophobicContact CD1-CG 3.98Å; Y399-F502 HydrophobicContact CD2-CB 3.5Å; Y399-F502 VanDerWaalsContact CD2-CB 3.5Å; Y399-F502 HydrophobicContact CD2-CD1 4.46Å; Y399-F502 HydrophobicContact CD2-CD2 4.04Å; Y399-F502 AromaticContact CD2-CG 3.74Å; Y399-F502 HydrophobicContact CD2-CG 3.74Å; Y399-F502 HydrophobicContact CE1-CB 4.02Å; Y399-F502 HydrophobicContact CE1-CD1 4.19Å; Y399-F502 HydrophobicContact CE1-CG 4.28Å; Y399-F502 HydrophobicContact CE2-CB 3.31Å; Y399-F502 HydrophobicContact CE2-CG 4.06Å; Y399-F502 HydrophobicContact CG-CB 3.92Å; Y399-F502 HydrophobicContact CG-CD1 4.01Å; Y399-F502 HydrophobicContact CG-CD2 4.02Å; Y399-F502 AromaticContact CG-CG 3.7Å; Y399-F502 HydrophobicContact CG-CG 3.7Å; F469-F502 CarbonylContact C-O 3.59Å; F469-F502 HydrophobicContact CB-CD2 4.31Å; F469-F502 HydrophobicContact CD1-CD2 4.31Å; C500-F502 HydrophobicContact CB-CD1 4.31Å; C500-F502 HydrophobicContact CB-CE1 3.58Å; C500-F502 HydrophobicContact CB-CZ 3.89Å; C500-F502 PolarHBondContact O-N 3.31Å
503	V	92.9	Very high	86.6	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-86.9	-18.7	176.2	-163.7	0	0	0	0	112	T392 L395 N471 L474 N475 C500 P501	T392-V503 HydrophobicContact CG2-CG2 4.16Å; L395-V503 HydrophobicContact CD2-CG2 4.2Å; N471-V503 HydrophobicContact CB-CG1 3.62Å; N471-V503 PolarHBondContact N-O 3.16Å; N471-V503 VanDerWaalsContact N-O 3.15Å; L474-V503 HydrophobicContact CD2-CG1 3.68Å; N475-V503 PolarHBondContact ND2-O 3.13Å; C500-V503 PolarHBondContact O-N 3.27Å; P501-V503 VanDerWaalsContact C-N 3.29Å; P501-V503 PolarHBondContact O-N 2.94Å
504	L	92.5	Very high	87.6	Confident	2 Å²	2	22 Å²	22	1%	0.01	12%	0.116	C	C	.	.	S	Bend	trans	-88.3	135.4	-176.6	-57.9	-175.7	0	0	0	110.7	N475 L478 F497 M498 P501 T508 K509	N475-L504 WeakPolarHBondContact OD1-CA 3.39Å; L478-L504 HydrophobicContact CD2-CD2 3.65Å; F497-L504 HydrophobicContact CB-CD2 4.02Å; M498-L504 HydrophobicContact CG-CD1 4.24Å; P501-L504 PolarHBondContact O-N 3.04Å; L504-T508 HydrophobicContact CD2-CG2 4.04Å; L504-K509 HydrophobicContact CB-CG 3.87Å; L504-K509 VanDerWaalsContact O-CE 3.31Å; L504-K509 WeakPolarHBondContact O-CE 3.39Å
505	N	90.4	Very high	87.8	Confident	24 Å²	24	22 Å²	22	13%	0.128	11%	0.114	C	C	.	.			trans	-74.5	162.6	171.5	76.5	33.8	0	0	0	110.6	V470 E472 N475 V507 T508 K509	V470-N505 HydrophobicContact CG1-CB 3.67Å; E472-N505 PolarHBondContact OE2-ND2 3.33Å; N475-N505 PolarHBondContact OD1-N 3.11Å; N505-V507 PolarHBondContact O-N 3.06Å; N505-V507 VanDerWaalsContact O-N 3.15Å; N505-V507 WeakPolarHBondContact OD1-CA 3.35Å; N505-V507 VanDerWaalsContact OD1-CB 3.24Å; N505-V507 WeakPolarHBondContact OD1-CB 3.42Å; N505-V507 PolarHBondContact OD1-N 3.44Å; N505-T508 PolarHBondContact O-N 2.76Å; N505-T508 PolarHBondContact OD1-N 2.9Å; N505-T508 PolarHBondContact OD1-OG1 2.97Å; N505-T508 VanDerWaalsContact OD1-OG1 3.08Å; N505-K509 WeakPolarHBondContact O-CG 3.39Å; N505-K509 PolarHBondContact O-N 2.99Å
506	A	86.8	Confident	87.5	Confident	25 Å²	25	21.1 Å²	21.1	21%	0.207	11%	0.11	C	C	.	.	H	α-helix	trans	-59.8	-26.9	-178.1	0	0	0	0	0	113.7	N510	A506-N510 VanDerWaalsContact O-CB 3.26Å; A506-N510 WeakPolarHBondContact O-CB 3.48Å; A506-N510 PolarHBondContact O-N 3.22Å
507	V	86.4	Confident	86.9	Confident	49 Å²	49	21 Å²	21	30%	0.297	11%	0.11	S	C	.	.	H	α-helix	trans	-71.4	-47.4	179.1	-164	0	0	0	0	110.8	N505 N510 L511 V837	N505-V507 PolarHBondContact O-N 3.06Å; N505-V507 VanDerWaalsContact O-N 3.15Å; N505-V507 WeakPolarHBondContact OD1-CA 3.35Å; N505-V507 VanDerWaalsContact OD1-CB 3.24Å; N505-V507 WeakPolarHBondContact OD1-CB 3.42Å; N505-V507 PolarHBondContact OD1-N 3.44Å; V507-N510 PolarHBondContact O-N 3.32Å; V507-L511 PolarHBondContact O-N 3.23Å; V507-V837 HydrophobicContact CG2-CG1 4.49Å
508	T	88.9	Confident	86.2	Confident	11 Å²	11	25.5 Å²	25.5	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-42.1	178	-55.8	0	0	0	0	111	N475 L478 M480 L504 N505 L511 G512	N475-T508 WeakPolarHBondContact OD1-CB 3.13Å; N475-T508 WeakPolarHBondContact OD1-CG2 3.23Å; N475-T508 PolarHBondContact OD1-OG1 3.46Å; L478-T508 HydrophobicContact CD2-CG2 4.18Å; M480-T508 HydrophobicContact CE-CG2 4.34Å; M480-T508 HydrophobicContact CG-CG2 3.61Å; M480-T508 HydrophobicContact SD-CG2 3.38Å; M480-T508 WeakPolarHBondContact SD-CG2 3.36Å; L504-T508 HydrophobicContact CD2-CG2 4.04Å; N505-T508 PolarHBondContact O-N 2.76Å; N505-T508 PolarHBondContact OD1-N 2.9Å; N505-T508 PolarHBondContact OD1-OG1 2.97Å; N505-T508 VanDerWaalsContact OD1-OG1 3.08Å; T508-L511 PolarHBondContact O-N 3.17Å; T508-G512 PolarHBondContact O-N 3.07Å
509	K	90.1	Very high	85.7	Confident	5 Å²	5	28.6 Å²	28.6	2%	0.022	14%	0.142	C	C	.	.	H	α-helix	trans	-59.8	-46.8	171.4	-66.5	176.5	179.6	-173.8	0	112	P501 L504 N505 L511 G512 L513 L769 F770 E774	P501-K509 WeakPolarHBondContact O-CE 3.41Å; P501-K509 PolarHBondContact O-NZ 2.78Å; L504-K509 HydrophobicContact CB-CG 3.87Å; L504-K509 VanDerWaalsContact O-CE 3.31Å; L504-K509 WeakPolarHBondContact O-CE 3.39Å; N505-K509 WeakPolarHBondContact O-CG 3.39Å; N505-K509 PolarHBondContact O-N 2.99Å; K509-L511 VanDerWaalsContact C-N 3.29Å; K509-L511 PolarHBondContact O-N 2.97Å; K509-G512 PolarHBondContact O-N 3.34Å; K509-G512 VanDerWaalsContact O-N 3.16Å; K509-L513 PolarHBondContact O-N 2.88Å; K509-L769 WeakPolarHBondContact CD-O 3.44Å; K509-L769 WeakPolarHBondContact CE-O 3.44Å; K509-L769 PolarHBondContact NZ-O 3.31Å; K509-F770 HydrophobicContact CB-CD1 4.24Å; K509-F770 HydrophobicContact CB-CE1 3.42Å; K509-F770 VanDerWaalsContact CB-CE1 3.42Å; K509-F770 HydrophobicContact CB-CE2 4.46Å; K509-F770 HydrophobicContact CB-CZ 3.56Å; K509-F770 HydrophobicContact CD-CD1 4.08Å; K509-F770 HydrophobicContact CD-CE1 4.06Å; K509-F770 HydrophobicContact CG-CE1 4.41Å; K509-E774 IonicContact NZ-OE1 3.36Å; K509-E774 PolarHBondContact NZ-OE1 3.01Å; K509-E774 IonicContact NZ-OE2 2.72Å; K509-E774 PolarHBondContact NZ-OE2 3.3Å
510	N	87.1	Confident	84.9	Confident	15 Å²	15	28 Å²	28	8%	0.08	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-35.6	177.2	-172.6	29.7	0	0	0	111.8	A506 V507 L513 Y514 N646 L778 V837	A506-N510 VanDerWaalsContact O-CB 3.26Å; A506-N510 WeakPolarHBondContact O-CB 3.48Å; A506-N510 PolarHBondContact O-N 3.22Å; V507-N510 PolarHBondContact O-N 3.32Å; N510-L513 PolarHBondContact O-N 3.25Å; N510-Y514 WeakPolarHBondContact O-CB 3.45Å; N510-Y514 PolarHBondContact O-N 2.84Å; N510-N646 PolarHBondContact ND2-OD1 3.01Å; N510-L778 HydrophobicContact CB-CD2 3.83Å; N510-V837 HydrophobicContact CB-CG1 4.02Å
511	L	85.5	Confident	83.9	Confident	69 Å²	69	28.4 Å²	28.4	36%	0.361	14%	0.137	S	C	.	.	H	α-helix	trans	-65.8	-39.2	173.2	-176.6	60.2	0	0	0	112.2	M480 V507 T508 K509 Y514 Y515	M480-L511 HydrophobicContact CB-CD2 3.92Å; M480-L511 HydrophobicContact CB-CG 4.05Å; M480-L511 HydrophobicContact CG-CD2 4.12Å; M480-L511 HydrophobicContact CG-CG 4.42Å; V507-L511 PolarHBondContact O-N 3.23Å; T508-L511 PolarHBondContact O-N 3.17Å; K509-L511 VanDerWaalsContact C-N 3.29Å; K509-L511 PolarHBondContact O-N 2.97Å; L511-Y514 HydrophobicContact CD1-CD1 4.13Å; L511-Y514 WeakPolarHBondContact O-CB 3.29Å; L511-Y514 PolarHBondContact O-N 3.26Å; L511-Y515 HydrophobicContact CD1-CD2 4.17Å; L511-Y515 HydrophobicContact CD1-CE2 3.6Å; L511-Y515 HydrophobicContact CD2-CE2 4.11Å; L511-Y515 HydrophobicContact CG-CD2 4.04Å; L511-Y515 HydrophobicContact CG-CE2 3.57Å; L511-Y515 WeakPolarHBondContact O-CD2 3.22Å; L511-Y515 PolarHBondContact O-N 2.99Å
512	G	84.8	Confident	82.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.9	-43.6	171	0	0	0	0	0	112.7	T508 K509 Y515 D516	T508-G512 PolarHBondContact O-N 3.07Å; K509-G512 PolarHBondContact O-N 3.34Å; K509-G512 VanDerWaalsContact O-N 3.16Å; G512-Y515 PolarHBondContact O-N 2.9Å; G512-D516 PolarHBondContact O-N 3.17Å
513	L	84.2	Confident	81.8	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.3	-39.9	173.8	-178.4	60.8	0	0	0	111.9	K509 N510 Y515 D516 N517 I643 S764 P765 F770 L778	K509-L513 PolarHBondContact O-N 2.88Å; N510-L513 PolarHBondContact O-N 3.25Å; L513-Y515 VanDerWaalsContact C-N 3.35Å; L513-Y515 PolarHBondContact O-N 3.28Å; L513-D516 WeakPolarHBondContact O-CB 3.36Å; L513-D516 PolarHBondContact O-N 2.6Å; L513-N517 WeakPolarHBondContact O-CB 3.49Å; L513-N517 PolarHBondContact O-N 2.68Å; L513-N517 PolarHBondContact O-ND2 2.81Å; L513-N517 PolarHBondContact O-OD1 2.85Å; L513-I643 HydrophobicContact CD2-CG2 3.66Å; L513-S764 VanDerWaalsContact CD1-OG 3.31Å; L513-S764 WeakPolarHBondContact CD1-OG 3.48Å; L513-P765 HydrophobicContact CD1-CG 4.35Å; L513-F770 HydrophobicContact CB-CE2 4.31Å; L513-F770 HydrophobicContact CB-CZ 4.33Å; L513-F770 HydrophobicContact CD2-CE2 3.93Å; L513-F770 HydrophobicContact CD2-CZ 4.16Å; L513-L778 HydrophobicContact CD2-CD1 4.11Å
514	Y	83.4	Confident	80.5	Confident	82 Å²	82	34.9 Å²	34.9	32%	0.322	17%	0.165	S	C	.	.	H	α-helix	trans	-61.8	-39.9	174.5	176.3	-98.5	0	0	0	112.3	N510 L511 R518	N510-Y514 WeakPolarHBondContact O-CB 3.45Å; N510-Y514 PolarHBondContact O-N 2.84Å; L511-Y514 HydrophobicContact CD1-CD1 4.13Å; L511-Y514 WeakPolarHBondContact O-CB 3.29Å; L511-Y514 PolarHBondContact O-N 3.26Å; Y514-R518 HydrophobicContact CE1-CG 4.32Å; Y514-R518 HydrophobicContact CE2-CG 4.36Å; Y514-R518 WeakPolarHBondContact O-CB 3.48Å; Y514-R518 WeakPolarHBondContact O-CG 3.24Å; Y514-R518 PolarHBondContact O-N 3.27Å; Y514-R518 WeakPolarHBondContact OH-CD 3.45Å; Y514-R518 PolarHBondContact OH-NH1 3.42Å
515	Y	82.3	Confident	79.2	Confident	70 Å²	70	36.5 Å²	36.5	28%	0.275	17%	0.171	S	C	.	.	H	α-helix	trans	-68.3	-40.7	172.7	-73	-57	0	0	0	112.3	M480 D481 L511 G512 L513 R518 I519	M480-Y515 HydrophobicContact CB-CD2 4.13Å; M480-Y515 HydrophobicContact CB-CE2 3.93Å; D481-Y515 HydrophobicContact CB-CD1 4.35Å; D481-Y515 HydrophobicContact CB-CD2 4.3Å; D481-Y515 HydrophobicContact CB-CE1 4Å; D481-Y515 HydrophobicContact CB-CE2 3.94Å; L511-Y515 HydrophobicContact CD1-CD2 4.17Å; L511-Y515 HydrophobicContact CD1-CE2 3.6Å; L511-Y515 HydrophobicContact CD2-CE2 4.11Å; L511-Y515 HydrophobicContact CG-CD2 4.04Å; L511-Y515 HydrophobicContact CG-CE2 3.57Å; L511-Y515 WeakPolarHBondContact O-CD2 3.22Å; L511-Y515 PolarHBondContact O-N 2.99Å; G512-Y515 PolarHBondContact O-N 2.9Å; L513-Y515 VanDerWaalsContact C-N 3.35Å; L513-Y515 PolarHBondContact O-N 3.28Å; Y515-R518 PolarHBondContact O-N 3.5Å; Y515-I519 VanDerWaalsContact O-CB 3.25Å; Y515-I519 WeakPolarHBondContact O-CB 3.47Å; Y515-I519 WeakPolarHBondContact O-CD1 3.26Å; Y515-I519 VanDerWaalsContact O-CG1 3.22Å; Y515-I519 WeakPolarHBondContact O-CG1 3.5Å; Y515-I519 PolarHBondContact O-N 2.83Å
516	D	81.3	Confident	78.1	Confident	5 Å²	5	44.6 Å²	44.6	3%	0.027	20%	0.2	C	C	.	.	H	α-helix	trans	-54.9	-53.2	171.6	-173.7	63.8	0	0	0	111.1	Y484 G512 L513 R518 I519 R520 P765	Y484-D516 HydrophobicContact CD2-CB 4.24Å; Y484-D516 HydrophobicContact CE2-CB 3.45Å; Y484-D516 VanDerWaalsContact CE2-CB 3.45Å; Y484-D516 WeakPolarHBondContact CE2-OD1 3.41Å; Y484-D516 VanDerWaalsContact CZ-OD1 3.27Å; Y484-D516 PolarHBondContact OH-OD1 2.91Å; G512-D516 PolarHBondContact O-N 3.17Å; L513-D516 WeakPolarHBondContact O-CB 3.36Å; L513-D516 PolarHBondContact O-N 2.6Å; D516-R518 PolarHBondContact O-N 2.53Å; D516-I519 PolarHBondContact O-N 2.75Å; D516-R520 VanDerWaalsContact CG-NE 3.26Å; D516-R520 VanDerWaalsContact CG-NH2 3.35Å; D516-R520 WeakPolarHBondContact O-CB 3.44Å; D516-R520 VanDerWaalsContact O-CG 3.27Å; D516-R520 WeakPolarHBondContact O-CG 3.46Å; D516-R520 PolarHBondContact O-N 2.85Å; D516-R520 IonicContact OD1-CZ 2.82Å; D516-R520 IonicContact OD1-NE 3.33Å; D516-R520 PolarHBondContact OD1-NE 2.87Å; D516-R520 IonicContact OD1-NH2 3.48Å; D516-R520 PolarHBondContact OD1-NH2 3.38Å; D516-R520 IonicContact OD2-CZ 3.75Å; D516-R520 IonicContact OD2-NE 2.79Å; D516-R520 PolarHBondContact OD2-NE 3.18Å; D516-R520 IonicContact OD2-NH2 3.68Å; D516-R520 PolarHBondContact OD2-NH2 3.35Å; D516-P765 VanDerWaalsContact OD2-CD 3.27Å; D516-P765 WeakPolarHBondContact OD2-CD 3.45Å
517	N	76.3	Confident	77.1	Confident	3 Å²	3	44.6 Å²	44.6	2%	0.016	20%	0.196	C	C	.	.	H	α-helix	trans	-61	-47.4	179.8	-62.8	-15.4	0	0	0	111.4	L513 R520 M521 Y644	L513-N517 WeakPolarHBondContact O-CB 3.49Å; L513-N517 PolarHBondContact O-N 2.68Å; L513-N517 PolarHBondContact O-ND2 2.81Å; L513-N517 PolarHBondContact O-OD1 2.85Å; N517-R520 PolarHBondContact O-N 3.37Å; N517-M521 WeakPolarHBondContact O-CB 3.41Å; N517-M521 VanDerWaalsContact O-CG 3.23Å; N517-M521 WeakPolarHBondContact O-CG 3.34Å; N517-M521 PolarHBondContact O-N 3.44Å; N517-Y644 HydrophobicContact CB-CD1 4.01Å; N517-Y644 HydrophobicContact CB-CE1 4.29Å; N517-Y644 WeakPolarHBondContact ND2-CA 3.48Å; N517-Y644 WeakPolarHBondContact OD1-CD1 3.43Å; N517-Y644 WeakPolarHBondContact OD1-CE1 3.19Å
518	R	76.4	Confident	76.1	Confident	95 Å²	95	42.8 Å²	42.8	36%	0.358	19%	0.185	S	C	.	.	H	α-helix	trans	-66.5	-40.4	178.7	-77.2	-170.1	69.1	163.2	0.9	112.9	Y514 Y515 D516 R520 M521 Y522	Y514-R518 HydrophobicContact CE1-CG 4.32Å; Y514-R518 HydrophobicContact CE2-CG 4.36Å; Y514-R518 WeakPolarHBondContact O-CB 3.48Å; Y514-R518 WeakPolarHBondContact O-CG 3.24Å; Y514-R518 PolarHBondContact O-N 3.27Å; Y514-R518 WeakPolarHBondContact OH-CD 3.45Å; Y514-R518 PolarHBondContact OH-NH1 3.42Å; Y515-R518 PolarHBondContact O-N 3.5Å; D516-R518 PolarHBondContact O-N 2.53Å; R518-R520 VanDerWaalsContact C-N 3.32Å; R518-M521 PolarHBondContact O-N 3.38Å; R518-Y522 HydrophobicContact CB-CD2 4.47Å; R518-Y522 HydrophobicContact CB-CE2 4.44Å; R518-Y522 PolarHBondContact NH2-OH 3.07Å; R518-Y522 WeakPolarHBondContact O-CB 3.49Å; R518-Y522 WeakPolarHBondContact O-CD2 3.47Å; R518-Y522 PolarHBondContact O-N 2.71Å
519	I	73.9	Confident	75	Confident	65 Å²	65	45.9 Å²	45.9	33%	0.333	20%	0.203	S	C	.	.	H	α-helix	trans	-65.2	-40.2	178.3	-72.3	166.2	0	0	0	109.9	Y484 Y515 D516 Y522 S523	Y484-I519 HydrophobicContact CD1-CD1 3.69Å; Y484-I519 HydrophobicContact CE1-CD1 3.5Å; Y515-I519 VanDerWaalsContact O-CB 3.25Å; Y515-I519 WeakPolarHBondContact O-CB 3.47Å; Y515-I519 WeakPolarHBondContact O-CD1 3.26Å; Y515-I519 VanDerWaalsContact O-CG1 3.22Å; Y515-I519 WeakPolarHBondContact O-CG1 3.5Å; Y515-I519 PolarHBondContact O-N 2.83Å; D516-I519 PolarHBondContact O-N 2.75Å; I519-Y522 PolarHBondContact O-N 3.03Å; I519-S523 PolarHBondContact O-N 2.78Å; I519-S523 PolarHBondContact O-OG 3.04Å
520	R	70.3	Confident	73.8	Confident	32 Å²	32	49.6 Å²	49.6	12%	0.121	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-51.7	170.8	-69.7	173.2	-161.1	-113.4	6.9	112.1	D516 N517 R518 Y522 S523 E524 E763	D516-R520 VanDerWaalsContact CG-NE 3.26Å; D516-R520 VanDerWaalsContact CG-NH2 3.35Å; D516-R520 WeakPolarHBondContact O-CB 3.44Å; D516-R520 VanDerWaalsContact O-CG 3.27Å; D516-R520 WeakPolarHBondContact O-CG 3.46Å; D516-R520 PolarHBondContact O-N 2.85Å; D516-R520 IonicContact OD1-CZ 2.82Å; D516-R520 IonicContact OD1-NE 3.33Å; D516-R520 PolarHBondContact OD1-NE 2.87Å; D516-R520 IonicContact OD1-NH2 3.48Å; D516-R520 PolarHBondContact OD1-NH2 3.38Å; D516-R520 IonicContact OD2-CZ 3.75Å; D516-R520 IonicContact OD2-NE 2.79Å; D516-R520 PolarHBondContact OD2-NE 3.18Å; D516-R520 IonicContact OD2-NH2 3.68Å; D516-R520 PolarHBondContact OD2-NH2 3.35Å; N517-R520 PolarHBondContact O-N 3.37Å; R518-R520 VanDerWaalsContact C-N 3.32Å; R520-Y522 PolarHBondContact O-N 3.47Å; R520-S523 WeakPolarHBondContact CA-OG 3.42Å; R520-S523 PolarHBondContact O-N 3.44Å; R520-S523 PolarHBondContact O-OG 3.05Å; R520-E524 WeakPolarHBondContact O-CG 3.4Å; R520-E524 PolarHBondContact O-N 2.86Å; R520-E763 PolarHBondContact NH1-O 3.47Å; R520-E763 IonicContact NH1-OE2 2.78Å; R520-E763 PolarHBondContact NH1-OE2 3.39Å; R520-E763 VanDerWaalsContact NH1-OE2 3.08Å; R520-E763 PolarHBondContact NH2-O 3.44Å
521	M	68.8	Low	72.7	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.054	23%	0.232	C	C	.	.	H	α-helix	trans	-55.8	-37.4	176.8	-71.2	175.1	-174.9	0	0	111.8	N517 R518 R525 K572 Q574 Y644	N517-M521 WeakPolarHBondContact O-CB 3.41Å; N517-M521 VanDerWaalsContact O-CG 3.23Å; N517-M521 WeakPolarHBondContact O-CG 3.34Å; N517-M521 PolarHBondContact O-N 3.44Å; R518-M521 PolarHBondContact O-N 3.38Å; M521-R525 VanDerWaalsContact O-CB 3.27Å; M521-R525 WeakPolarHBondContact O-CB 3.31Å; M521-R525 WeakPolarHBondContact O-CD 3.43Å; M521-R525 WeakPolarHBondContact O-CG 3.33Å; M521-R525 PolarHBondContact O-N 2.66Å; M521-R525 VanDerWaalsContact O-N 3.1Å; M521-K572 VanDerWaalsContact CG-O 3.29Å; M521-K572 WeakPolarHBondContact CG-O 2.88Å; M521-Q574 HydrophobicContact CE-CB 4.44Å; M521-Q574 HydrophobicContact CG-CB 4.44Å; M521-Q574 HydrophobicContact SD-CB 3.7Å; M521-Q574 HydrophobicContact SD-CG 4.17Å; M521-Y644 HydrophobicContact CE-CD1 4.41Å
522	Y	68.3	Low	71.6	Confident	104 Å²	104	49.9 Å²	49.9	41%	0.408	22%	0.222	S	C	.	.	H	α-helix	trans	-75.1	-35.2	174.7	-75.6	-57.9	0	0	0	114	R518 I519 R520 R526	R518-Y522 HydrophobicContact CB-CD2 4.47Å; R518-Y522 HydrophobicContact CB-CE2 4.44Å; R518-Y522 PolarHBondContact NH2-OH 3.07Å; R518-Y522 WeakPolarHBondContact O-CB 3.49Å; R518-Y522 WeakPolarHBondContact O-CD2 3.47Å; R518-Y522 PolarHBondContact O-N 2.71Å; I519-Y522 PolarHBondContact O-N 3.03Å; R520-Y522 PolarHBondContact O-N 3.47Å; Y522-R526 WeakPolarHBondContact O-CB 3.25Å; Y522-R526 VanDerWaalsContact O-CG 3.25Å; Y522-R526 WeakPolarHBondContact O-CG 3.27Å; Y522-R526 PolarHBondContact O-N 3.32Å
523	S	67.6	Low	70.7	Confident	30 Å²	30	56.6 Å²	56.6	21%	0.21	26%	0.257	C	S	.	.	H	α-helix	trans	-66.8	-49.6	174.4	59.3	0	0	0	0	110.6	I519 R520 R525 R526 I527	I519-S523 PolarHBondContact O-N 2.78Å; I519-S523 PolarHBondContact O-OG 3.04Å; R520-S523 WeakPolarHBondContact CA-OG 3.42Å; R520-S523 PolarHBondContact O-N 3.44Å; R520-S523 PolarHBondContact O-OG 3.05Å; S523-R525 VanDerWaalsContact C-N 3.31Å; S523-R525 PolarHBondContact O-N 3.07Å; S523-R526 PolarHBondContact O-N 2.91Å; S523-R526 VanDerWaalsContact O-N 3.07Å; S523-I527 WeakPolarHBondContact O-CG1 3.3Å; S523-I527 PolarHBondContact O-N 3.26Å
524	E	66.4	Low	69.9	Low	36 Å²	36	62 Å²	62	17%	0.168	29%	0.29	C	S	.	.	H	α-helix	trans	-56.9	-45.2	176.6	-67.5	-42.6	122.7	0	0	111.4	R520 R526 I527 T528 K573	R520-E524 WeakPolarHBondContact O-CG 3.4Å; R520-E524 PolarHBondContact O-N 2.86Å; E524-R526 PolarHBondContact O-N 2.83Å; E524-I527 PolarHBondContact O-N 2.93Å; E524-T528 WeakPolarHBondContact O-CB 3.27Å; E524-T528 PolarHBondContact O-N 3.45Å; E524-T528 PolarHBondContact O-OG1 3.37Å; E524-K573 HydrophobicContact CB-CG 4.3Å
525	R	65.5	Low	68.8	Low	35 Å²	35	63.4 Å²	63.4	13%	0.132	30%	0.299	C	S	.	.	H	α-helix	trans	-59.2	-45.4	174.3	-80.6	175.4	171.7	159.3	0.8	113.3	M521 S523 T528 V529 P541	M521-R525 VanDerWaalsContact O-CB 3.27Å; M521-R525 WeakPolarHBondContact O-CB 3.31Å; M521-R525 WeakPolarHBondContact O-CD 3.43Å; M521-R525 WeakPolarHBondContact O-CG 3.33Å; M521-R525 PolarHBondContact O-N 2.66Å; M521-R525 VanDerWaalsContact O-N 3.1Å; S523-R525 VanDerWaalsContact C-N 3.31Å; S523-R525 PolarHBondContact O-N 3.07Å; R525-T528 PolarHBondContact O-N 3.14Å; R525-V529 WeakPolarHBondContact O-CB 3.2Å; R525-V529 VanDerWaalsContact O-CG2 3.3Å; R525-V529 WeakPolarHBondContact O-CG2 3.37Å; R525-V529 PolarHBondContact O-N 3.38Å; R525-P541 HydrophobicContact CG-CB 3.79Å; R525-P541 VanDerWaalsContact CG-O 3.3Å; R525-P541 WeakPolarHBondContact CG-O 3.38Å; R525-P541 PolarHBondContact NE-O 3.16Å
526	R	65.8	Low	67.3	Low	195 Å²	195	63.1 Å²	63.1	74%	0.736	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-42.4	-179.6	-77.1	172.9	178.6	-174.1	1.8	111.4	Y522 S523 E524 V529 L530	Y522-R526 WeakPolarHBondContact O-CB 3.25Å; Y522-R526 VanDerWaalsContact O-CG 3.25Å; Y522-R526 WeakPolarHBondContact O-CG 3.27Å; Y522-R526 PolarHBondContact O-N 3.32Å; S523-R526 PolarHBondContact O-N 2.91Å; S523-R526 VanDerWaalsContact O-N 3.07Å; E524-R526 PolarHBondContact O-N 2.83Å; R526-V529 PolarHBondContact O-N 2.95Å; R526-L530 VanDerWaalsContact O-CB 3.32Å; R526-L530 WeakPolarHBondContact O-CB 3.46Å; R526-L530 PolarHBondContact O-N 3.14Å
527	I	66.6	Low	66.2	Low	25 Å²	25	68.2 Å²	68.2	13%	0.128	34%	0.341	C	S	.	.	H	α-helix	trans	-64.5	-46.7	176	-65.4	162.7	0	0	0	110.1	L429 S523 E524 V529 L530 Y531	L429-I527 HydrophobicContact CB-CG2 4.24Å; L429-I527 HydrophobicContact CD2-CG2 4.22Å; S523-I527 WeakPolarHBondContact O-CG1 3.3Å; S523-I527 PolarHBondContact O-N 3.26Å; E524-I527 PolarHBondContact O-N 2.93Å; I527-V529 PolarHBondContact O-N 2.78Å; I527-L530 PolarHBondContact O-N 2.9Å; I527-Y531 WeakPolarHBondContact O-CB 3.49Å; I527-Y531 PolarHBondContact O-N 3.39Å
528	T	64.1	Low	65.1	Low	10 Å²	10	76.3 Å²	76.3	6%	0.061	38%	0.379	C	S	.	.	H	α-helix	trans	-56.3	-46.3	176.3	-61.4	0	0	0	0	111.9	E524 R525 S532 L539 K573	E524-T528 WeakPolarHBondContact O-CB 3.27Å; E524-T528 PolarHBondContact O-N 3.45Å; E524-T528 PolarHBondContact O-OG1 3.37Å; R525-T528 PolarHBondContact O-N 3.14Å; T528-S532 WeakPolarHBondContact O-CB 3.38Å; T528-S532 PolarHBondContact O-N 3.49Å; T528-L539 HydrophobicContact CG2-CB 3.36Å; T528-L539 HydrophobicContact CG2-CD1 4.3Å; T528-L539 HydrophobicContact CG2-CG 4.49Å; T528-K573 PolarHBondContact OG1-NZ 2.83Å
529	V	66.1	Low	64.2	Low	76 Å²	76	75.1 Å²	75.1	46%	0.461	38%	0.379	S	S	.	.	H	α-helix	trans	-68.2	-41.5	177.3	169.7	0	0	0	0	111.6	R525 R526 I527 Y531 S532 L533	R525-V529 WeakPolarHBondContact O-CB 3.2Å; R525-V529 VanDerWaalsContact O-CG2 3.3Å; R525-V529 WeakPolarHBondContact O-CG2 3.37Å; R525-V529 PolarHBondContact O-N 3.38Å; R526-V529 PolarHBondContact O-N 2.95Å; I527-V529 PolarHBondContact O-N 2.78Å; V529-Y531 VanDerWaalsContact C-N 3.35Å; V529-Y531 PolarHBondContact O-N 2.89Å; V529-S532 WeakPolarHBondContact O-CB 3.42Å; V529-S532 PolarHBondContact O-N 2.9Å; V529-L533 HydrophobicContact CG1-CD1 4.27Å; V529-L533 WeakPolarHBondContact O-CG 3.4Å; V529-L533 PolarHBondContact O-N 3.02Å
530	L	66	Low	63.8	Low	83 Å²	83	75.9 Å²	75.9	44%	0.435	38%	0.384	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176	-177.9	64.6	0	0	0	111.3	R526 I527 L533 V534	R526-L530 VanDerWaalsContact O-CB 3.32Å; R526-L530 WeakPolarHBondContact O-CB 3.46Å; R526-L530 PolarHBondContact O-N 3.14Å; I527-L530 PolarHBondContact O-N 2.9Å; L530-L533 PolarHBondContact O-N 3.48Å; L530-V534 WeakPolarHBondContact O-CG2 3.23Å; L530-V534 PolarHBondContact O-N 3.21Å; L530-V534 VanDerWaalsContact O-N 3.08Å
531	Y	63.9	Low	63.8	Low	70 Å²	70	76.3 Å²	76.3	28%	0.275	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.7	-166.8	-80.7	0	0	0	111.7	L429 I527 V529 L533 V534 Q535 L539	L429-Y531 HydrophobicContact CD1-CD2 4.41Å; L429-Y531 HydrophobicContact CD1-CE2 4.42Å; L429-Y531 HydrophobicContact CD2-CD2 4.29Å; I527-Y531 WeakPolarHBondContact O-CB 3.49Å; I527-Y531 PolarHBondContact O-N 3.39Å; V529-Y531 VanDerWaalsContact C-N 3.35Å; V529-Y531 PolarHBondContact O-N 2.89Å; Y531-L533 VanDerWaalsContact C-N 3.27Å; Y531-L533 PolarHBondContact O-N 3.04Å; Y531-V534 PolarHBondContact O-N 3.43Å; Y531-V534 VanDerWaalsContact O-N 3.08Å; Y531-Q535 HydrophobicContact CD1-CB 4.18Å; Y531-Q535 HydrophobicContact CD1-CG 4.18Å; Y531-Q535 HydrophobicContact CE1-CB 4.02Å; Y531-Q535 VanDerWaalsContact CE1-CD 3.41Å; Y531-Q535 HydrophobicContact CE1-CG 3.88Å; Y531-Q535 PolarHBondContact O-N 3.24Å; Y531-Q535 PolarHBondContact OH-NE2 2.63Å; Y531-Q535 PolarHBondContact OH-OE1 2.94Å; Y531-L539 HydrophobicContact CD1-CD1 3.39Å; Y531-L539 HydrophobicContact CD1-CG 4.39Å; Y531-L539 HydrophobicContact CE1-CD1 3.93Å; Y531-L539 HydrophobicContact CG-CD1 3.98Å
532	S	62.9	Low	64.1	Low	21 Å²	21	80.3 Å²	80.3	15%	0.147	41%	0.406	C	S	.	.	H	α-helix	trans	-59.2	-38.3	175.2	-170.3	0	0	0	0	112.5	T528 V529 G536 Q537	T528-S532 WeakPolarHBondContact O-CB 3.38Å; T528-S532 PolarHBondContact O-N 3.49Å; V529-S532 WeakPolarHBondContact O-CB 3.42Å; V529-S532 PolarHBondContact O-N 2.9Å; S532-G536 VanDerWaalsContact O-CA 3.32Å; S532-G536 WeakPolarHBondContact O-CA 3.4Å; S532-G536 PolarHBondContact O-N 3.21Å; S532-Q537 VanDerWaalsContact CA-O 3.24Å; S532-Q537 WeakPolarHBondContact CA-O 3.38Å; S532-Q537 WeakPolarHBondContact CB-O 3.48Å; S532-Q537 PolarHBondContact OG-O 3.42Å
533	L	65.6	Low	64.9	Low	141 Å²	141	75.4 Å²	75.4	74%	0.738	39%	0.387	S	S	*	.	H	α-helix	trans	-71.1	-29.2	174.5	-68.6	167.4	0	0	0	113.5	V529 L530 Y531	V529-L533 HydrophobicContact CG1-CD1 4.27Å; V529-L533 WeakPolarHBondContact O-CG 3.4Å; V529-L533 PolarHBondContact O-N 3.02Å; L530-L533 PolarHBondContact O-N 3.48Å; Y531-L533 VanDerWaalsContact C-N 3.27Å; Y531-L533 PolarHBondContact O-N 3.04Å
534	V	66.1	Low	65.8	Low	113 Å²	113	79.1 Å²	79.1	69%	0.685	40%	0.397	S	S	*	.	H	α-helix	trans	-88.6	-38.2	-177.2	171.7	0	0	0	0	112.8	L530 Y531	L530-V534 WeakPolarHBondContact O-CG2 3.23Å; L530-V534 PolarHBondContact O-N 3.21Å; L530-V534 VanDerWaalsContact O-N 3.08Å; Y531-V534 PolarHBondContact O-N 3.43Å; Y531-V534 VanDerWaalsContact O-N 3.08Å
535	Q	60.8	Low	66.9	Low	111 Å²	111	77.4 Å²	77.4	52%	0.519	39%	0.388	S	S	.	.	H	α-helix	trans	-106.3	-8.9	-177.2	-65	-155.7	9.3	0	0	114.8	Y531 Q537	Y531-Q535 HydrophobicContact CD1-CB 4.18Å; Y531-Q535 HydrophobicContact CD1-CG 4.18Å; Y531-Q535 HydrophobicContact CE1-CB 4.02Å; Y531-Q535 VanDerWaalsContact CE1-CD 3.41Å; Y531-Q535 HydrophobicContact CE1-CG 3.88Å; Y531-Q535 PolarHBondContact O-N 3.24Å; Y531-Q535 PolarHBondContact OH-NE2 2.63Å; Y531-Q535 PolarHBondContact OH-OE1 2.94Å; Q535-Q537 PolarHBondContact O-N 3.21Å
536	G	51.6	Low	68	Low	64 Å²	64	80.5 Å²	80.5	66%	0.66	40%	0.403	S	S	*	.			trans	74.2	1.1	178.6	0	0	0	0	0	115.5	S532	S532-G536 VanDerWaalsContact O-CA 3.32Å; S532-G536 WeakPolarHBondContact O-CA 3.4Å; S532-G536 PolarHBondContact O-N 3.21Å
537	Q	56.6	Low	69.3	Low	112 Å²	112	71.2 Å²	71.2	52%	0.523	37%	0.368	S	S	.	.			trans	-79.9	135.2	169.8	-83.9	-176.5	-28.5	0	0	111.3	S532 Q535 L539	S532-Q537 VanDerWaalsContact CA-O 3.24Å; S532-Q537 WeakPolarHBondContact CA-O 3.38Å; S532-Q537 WeakPolarHBondContact CB-O 3.48Å; S532-Q537 PolarHBondContact OG-O 3.42Å; Q535-Q537 PolarHBondContact O-N 3.21Å; Q537-L539 PolarHBondContact O-N 2.95Å; Q537-L539 VanDerWaalsContact O-N 3.09Å
538	Q	53.1	Low	70.4	Confident	174 Å²	174	74.5 Å²	74.5	81%	0.813	38%	0.379	S	S	*	.			trans	-79.8	83.4	173.6	-69.5	-77.2	-50.6	0	0	110
539	L	59.2	Low	71.5	Confident	69 Å²	69	78.1 Å²	78.1	36%	0.361	39%	0.391	S	S	.	.			trans	-78.7	135.5	172.6	-65.7	174.5	0	0	0	110.7	T528 Y531 Q537	T528-L539 HydrophobicContact CG2-CB 3.36Å; T528-L539 HydrophobicContact CG2-CD1 4.3Å; T528-L539 HydrophobicContact CG2-CG 4.49Å; Y531-L539 HydrophobicContact CD1-CD1 3.39Å; Y531-L539 HydrophobicContact CD1-CG 4.39Å; Y531-L539 HydrophobicContact CE1-CD1 3.93Å; Y531-L539 HydrophobicContact CG-CD1 3.98Å; Q537-L539 PolarHBondContact O-N 2.95Å; Q537-L539 VanDerWaalsContact O-N 3.09Å
540	N	64.3	Low	72.4	Confident	82 Å²	82	81.3 Å²	81.3	44%	0.439	41%	0.406	S	S	.	.			trans	-77.9	134.5	-176.1	-78.3	-53.8	0	0	0	112.5	Y542 K573	N540-Y542 PolarHBondContact O-N 2.96Å; N540-K573 PolarHBondContact O-NZ 3.09Å
541	P	70.1	Confident	73.5	Confident	40 Å²	40	81 Å²	81	26%	0.26	40%	0.402	S	S	.	.	S	Bend	trans	-81.1	8.1	175.8	31.1	-32.3	0	0	0	114.1	R525	R525-P541 HydrophobicContact CG-CB 3.79Å; R525-P541 VanDerWaalsContact CG-O 3.3Å; R525-P541 WeakPolarHBondContact CG-O 3.38Å; R525-P541 PolarHBondContact NE-O 3.16Å
542	Y	76.5	Confident	74.7	Confident	95 Å²	95	77.9 Å²	77.9	37%	0.373	39%	0.39	S	S	.	.	S	Bend	trans	-133.3	149.8	-179.5	-60.6	-91.5	0	0	0	109.8	N540 R544 Q574 Y576	N540-Y542 PolarHBondContact O-N 2.96Å; Y542-R544 VanDerWaalsContact C-N 3.31Å; Y542-R544 PolarHBondContact O-N 3.49Å; Y542-Q574 WeakPolarHBondContact CA-O 3.31Å; Y542-Q574 HydrophobicContact CD1-CB 4.33Å; Y542-Y576 HydrophobicContact CD1-CD2 4.33Å; Y542-Y576 HydrophobicContact CD1-CG 4.49Å
543	L	84.6	Confident	75.9	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	88.2	163.6	177.5	66.7	0	0	0	107.7	L545 L560 I563 L571 K573 Q574 L575 Y576 L641	L543-L545 PolarHBondContact O-N 2.78Å; L543-L560 HydrophobicContact CD2-CD2 4.46Å; L543-I563 HydrophobicContact CD1-CD1 3.74Å; L543-I563 HydrophobicContact CD1-CG2 3.94Å; L543-L571 HydrophobicContact CD1-CD2 4.22Å; L543-K573 HydrophobicContact CB-CB 4.18Å; L543-Q574 PolarHBondContact N-O 3.48Å; L543-L575 HydrophobicContact CD2-CD1 4.03Å; L543-L575 HydrophobicContact CG-CD1 4.25Å; L543-Y576 PolarHBondContact O-N 3.35Å; L543-L641 HydrophobicContact CD2-CD1 4.09Å; L543-L641 HydrophobicContact CD2-CD2 3.66Å
544	R	85.8	Confident	77	Confident	107 Å²	107	74.9 Å²	74.9	40%	0.404	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	108	-175.9	-174.1	176.5	179.3	172.4	4.5	110.9	Y542 Y576 E578	Y542-R544 VanDerWaalsContact C-N 3.31Å; Y542-R544 PolarHBondContact O-N 3.49Å; R544-Y576 WeakPolarHBondContact CA-O 3.19Å; R544-Y576 HydrophobicContact CG-CD1 4.46Å; R544-E578 IonicContact CZ-OE1 3.79Å; R544-E578 IonicContact CZ-OE2 2.67Å; R544-E578 IonicContact NE-OE1 3.42Å; R544-E578 PolarHBondContact NE-OE1 3.35Å; R544-E578 VanDerWaalsContact NE-OE1 3.17Å; R544-E578 IonicContact NE-OE2 2.73Å; R544-E578 PolarHBondContact NE-OE2 3.35Å; R544-E578 IonicContact NH2-OE1 3.88Å; R544-E578 PolarHBondContact NH2-OE1 3.45Å; R544-E578 IonicContact NH2-OE2 2.61Å; R544-E578 PolarHBondContact NH2-OE2 3.31Å
545	L	89.3	Confident	78.2	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.4	170.7	-61.3	-172.5	0	0	0	109.1	L543 R559 L560 I563 L575 Y576 V577 E578 F594	L543-L545 PolarHBondContact O-N 2.78Å; L545-R559 HydrophobicContact CD2-CB 4.19Å; L545-R559 HydrophobicContact CD2-CG 3.71Å; L545-L560 HydrophobicContact CD1-CD1 4.34Å; L545-L560 HydrophobicContact CD1-CD2 4.21Å; L545-L560 HydrophobicContact CD1-CG 4.33Å; L545-L560 HydrophobicContact CD2-CD2 3.84Å; L545-L560 HydrophobicContact CD2-CG 3.99Å; L545-I563 HydrophobicContact CD2-CD1 4.24Å; L545-L575 HydrophobicContact CD1-CD1 3.73Å; L545-L575 HydrophobicContact CG-CD1 3.9Å; L545-Y576 PolarHBondContact N-O 2.9Å; L545-V577 CarbonylContact O-C 3.42Å; L545-V577 WeakPolarHBondContact O-CA 3.41Å; L545-E578 PolarHBondContact O-N 3.16Å; L545-F594 HydrophobicContact CD1-CE1 4.1Å; L545-F594 HydrophobicContact CD1-CZ 3.91Å
546	K	89.4	Confident	79.6	Confident	100 Å²	100	65.8 Å²	65.8	44%	0.435	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.2	171.8	-174.1	-170.6	170.4	-153.5	0	108.1	E578 E580	K546-E578 VanDerWaalsContact CA-O 3.3Å; K546-E578 WeakPolarHBondContact CA-O 3.38Å; K546-E578 HydrophobicContact CB-CB 4.42Å; K546-E578 HydrophobicContact CG-CB 4.27Å; K546-E580 WeakPolarHBondContact CE-OE1 3.4Å; K546-E580 IonicContact NZ-OE1 2.78Å; K546-E580 PolarHBondContact NZ-OE1 3.28Å
547	V	92	Very high	81.2	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.2	-170.4	-61.8	0	0	0	0	111.5	D555 A556 V577 E578 F579 E580 F594	V547-D555 HydrophobicContact CB-CB 3.99Å; V547-D555 HydrophobicContact CG1-CB 3.87Å; V547-A556 HydrophobicContact CG1-CB 4.37Å; V547-V577 HydrophobicContact CG2-CG1 4.24Å; V547-E578 PolarHBondContact N-O 3.02Å; V547-F579 HydrophobicContact CG2-CD1 3.82Å; V547-F579 HydrophobicContact CG2-CE1 3.75Å; V547-F579 CarbonylContact O-C 3.59Å; V547-F579 WeakPolarHBondContact O-CA 3.26Å; V547-E580 PolarHBondContact O-N 2.97Å; V547-F594 HydrophobicContact CG2-CD2 4.29Å
548	R	90.5	Very high	82.7	Confident	93 Å²	93	62.7 Å²	62.7	35%	0.351	30%	0.299	S	S	.	.			trans	-99.6	138.5	173.4	-64.6	166.2	-65.8	150.9	1.9	110	D550 H551 I552 D555 E580	R548-D550 PolarHBondContact O-N 3.34Å; R548-H551 CarbonylContact O-C 3.47Å; R548-H551 PolarHBondContact O-N 2.78Å; R548-I552 VanDerWaalsContact O-CG1 3.25Å; R548-I552 WeakPolarHBondContact O-CG1 3.42Å; R548-I552 PolarHBondContact O-N 3.33Å; R548-D555 WeakPolarHBondContact CB-OD2 3.45Å; R548-D555 WeakPolarHBondContact CG-OD2 3.22Å; R548-D555 IonicContact CZ-OD1 3.44Å; R548-D555 IonicContact CZ-OD2 2.91Å; R548-D555 PolarHBondContact N-OD2 2.95Å; R548-D555 IonicContact NE-OD1 3.94Å; R548-D555 PolarHBondContact NE-OD1 2.84Å; R548-D555 IonicContact NE-OD2 3.41Å; R548-D555 PolarHBondContact NE-OD2 2.92Å; R548-D555 IonicContact NH2-OD1 2.71Å; R548-D555 PolarHBondContact NH2-OD1 2.97Å; R548-D555 IonicContact NH2-OD2 2.68Å; R548-E580 WeakPolarHBondContact CD-OE2 3.32Å; R548-E580 HydrophobicContact CG-CB 3.91Å; R548-E580 WeakPolarHBondContact CG-OE2 3.25Å
549	R	86.5	Confident	84.3	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.1	-178.2	-71.7	-175	178.7	-86.9	-4.2	114.2	I552 F579 E582 E593	R549-I552 WeakPolarHBondContact O-CD1 3.05Å; R549-I552 WeakPolarHBondContact O-CG1 3.38Å; R549-F579 HydrophobicContact CG-CD1 3.63Å; R549-F579 HydrophobicContact CG-CE1 3.97Å; R549-F579 HydrophobicContact CG-CG 4.12Å; R549-E582 IonicContact CZ-OE1 3.81Å; R549-E582 IonicContact CZ-OE2 3.92Å; R549-E582 IonicContact NE-OE1 2.89Å; R549-E582 PolarHBondContact NE-OE1 2.68Å; R549-E582 IonicContact NE-OE2 3.37Å; R549-E582 PolarHBondContact NE-OE2 2.85Å; R549-E582 IonicContact NH2-OE1 3.16Å; R549-E582 PolarHBondContact NH2-OE1 3.46Å; R549-E582 IonicContact NH2-OE2 3.6Å; R549-E582 PolarHBondContact NH2-OE2 3.3Å; R549-E593 IonicContact CZ-OE1 2.76Å; R549-E593 IonicContact CZ-OE2 2.86Å; R549-E593 VanDerWaalsContact NH1-CD 3.28Å; R549-E593 IonicContact NH1-OE1 2.76Å; R549-E593 PolarHBondContact NH1-OE1 2.95Å; R549-E593 IonicContact NH1-OE2 3.99Å; R549-E593 IonicContact NH2-OE1 3.84Å; R549-E593 PolarHBondContact NH2-OE1 2.83Å; R549-E593 IonicContact NH2-OE2 3.31Å; R549-E593 PolarHBondContact NH2-OE2 3.49Å
550	D	86.7	Confident	85.7	Confident	142 Å²	142	55 Å²	55	76%	0.759	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.5	-179.5	-48.3	-53.1	0	0	0	113.7	R548	R548-D550 PolarHBondContact O-N 3.34Å
551	H	88.8	Confident	86.5	Confident	78 Å²	78	55 Å²	55	36%	0.361	26%	0.255	S	S	.	.	S	Bend	trans	-145.6	41.8	-172.7	-62.1	73.5	0	0	0	111.1	R548 I553 D555	R548-H551 CarbonylContact O-C 3.47Å; R548-H551 PolarHBondContact O-N 2.78Å; H551-I553 PolarHBondContact O-N 2.96Å; H551-D555 WeakPolarHBondContact O-CB 3.3Å; H551-D555 PolarHBondContact O-N 3.35Å
552	I	89.4	Confident	87.1	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-44.5	-168	-60.6	171.8	0	0	0	110.9	R548 R549 A556 F579 F594 L597 V598	R548-I552 VanDerWaalsContact O-CG1 3.25Å; R548-I552 WeakPolarHBondContact O-CG1 3.42Å; R548-I552 PolarHBondContact O-N 3.33Å; R549-I552 WeakPolarHBondContact O-CD1 3.05Å; R549-I552 WeakPolarHBondContact O-CG1 3.38Å; I552-A556 WeakPolarHBondContact O-CB 3.25Å; I552-A556 PolarHBondContact O-N 3.12Å; I552-F579 HydrophobicContact CD1-CE1 4.37Å; I552-F594 HydrophobicContact CG2-CD2 3.86Å; I552-F594 HydrophobicContact CG2-CE2 3.75Å; I552-L597 HydrophobicContact CD1-CB 3.59Å; I552-L597 HydrophobicContact CD1-CD1 3.56Å; I552-L597 HydrophobicContact CD1-CG 4.13Å; I552-V598 HydrophobicContact CG2-CG2 3.58Å
553	I	87.9	Confident	87.4	Confident	6 Å²	6	53.1 Å²	53.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-62.5	-50.4	179.9	-59.3	-53.6	0	0	0	111.3	H551 A556 L557 V598 E601 I602 Q631 L634	H551-I553 PolarHBondContact O-N 2.96Å; I553-A556 PolarHBondContact O-N 2.72Å; I553-L557 WeakPolarHBondContact O-CB 3.46Å; I553-L557 PolarHBondContact O-N 3.48Å; I553-V598 HydrophobicContact CD1-CB 4.26Å; I553-V598 HydrophobicContact CD1-CG1 3.8Å; I553-V598 HydrophobicContact CD1-CG2 4.19Å; I553-E601 HydrophobicContact CD1-CB 4.35Å; I553-E601 HydrophobicContact CG1-CB 4.24Å; I553-E601 HydrophobicContact CG1-CG 3.92Å; I553-I602 HydrophobicContact CD1-CD1 3.88Å; I553-I602 HydrophobicContact CD1-CG1 3.7Å; I553-I602 HydrophobicContact CG1-CD1 4.42Å; I553-I602 HydrophobicContact CG2-CD1 4.37Å; I553-Q631 HydrophobicContact CG2-CG 3.98Å; I553-L634 HydrophobicContact CB-CD2 4.37Å; I553-L634 HydrophobicContact CD1-CD2 3.95Å; I553-L634 HydrophobicContact CG2-CD2 3.83Å
554	D	88.1	Confident	87.1	Confident	93 Å²	93	53.9 Å²	53.9	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-50.9	179.6	-69.4	-36.9	0	0	0	112	A556 L557 V558	D554-A556 PolarHBondContact O-N 2.79Å; D554-L557 PolarHBondContact O-N 3.37Å; D554-V558 WeakPolarHBondContact O-CB 3.3Å; D554-V558 WeakPolarHBondContact O-CG2 3.5Å; D554-V558 PolarHBondContact O-N 3.29Å
555	D	91.3	Very high	86.7	Confident	33 Å²	33	57 Å²	57	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-40.1	-178.1	-74.9	-11.9	0	0	0	111.2	V547 R548 H551 R559	V547-D555 HydrophobicContact CB-CB 3.99Å; V547-D555 HydrophobicContact CG1-CB 3.87Å; R548-D555 WeakPolarHBondContact CB-OD2 3.45Å; R548-D555 WeakPolarHBondContact CG-OD2 3.22Å; R548-D555 IonicContact CZ-OD1 3.44Å; R548-D555 IonicContact CZ-OD2 2.91Å; R548-D555 PolarHBondContact N-OD2 2.95Å; R548-D555 IonicContact NE-OD1 3.94Å; R548-D555 PolarHBondContact NE-OD1 2.84Å; R548-D555 IonicContact NE-OD2 3.41Å; R548-D555 PolarHBondContact NE-OD2 2.92Å; R548-D555 IonicContact NH2-OD1 2.71Å; R548-D555 PolarHBondContact NH2-OD1 2.97Å; R548-D555 IonicContact NH2-OD2 2.68Å; H551-D555 WeakPolarHBondContact O-CB 3.3Å; H551-D555 PolarHBondContact O-N 3.35Å; D555-R559 WeakPolarHBondContact O-CB 3.48Å; D555-R559 PolarHBondContact O-N 3.49Å
556	A	89	Confident	86.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-68.6	-43.7	178.1	0	0	0	0	0	112.2	V547 I552 I553 D554 R559 L560 F594 L634	V547-A556 HydrophobicContact CG1-CB 4.37Å; I552-A556 WeakPolarHBondContact O-CB 3.25Å; I552-A556 PolarHBondContact O-N 3.12Å; I553-A556 PolarHBondContact O-N 2.72Å; D554-A556 PolarHBondContact O-N 2.79Å; A556-R559 PolarHBondContact O-N 3.04Å; A556-L560 VanDerWaalsContact O-CB 3.25Å; A556-L560 WeakPolarHBondContact O-CB 3.43Å; A556-L560 WeakPolarHBondContact O-CD1 3.23Å; A556-L560 VanDerWaalsContact O-CG 3.28Å; A556-L560 WeakPolarHBondContact O-CG 3.38Å; A556-L560 PolarHBondContact O-N 2.96Å; A556-F594 HydrophobicContact CB-CE2 3.96Å; A556-F594 HydrophobicContact CB-CZ 4Å; A556-L634 HydrophobicContact CB-CD1 3.94Å; A556-L634 HydrophobicContact CB-CD2 4.45Å
557	L	86.3	Confident	85.5	Confident	28 Å²	28	62.2 Å²	62.2	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-55.2	177.8	-173.9	159.6	0	0	0	110.2	I553 D554 R559 L560 E561 G630 Q631 L634	I553-L557 WeakPolarHBondContact O-CB 3.46Å; I553-L557 PolarHBondContact O-N 3.48Å; D554-L557 PolarHBondContact O-N 3.37Å; L557-R559 VanDerWaalsContact C-N 3.28Å; L557-R559 PolarHBondContact O-N 3.31Å; L557-L560 PolarHBondContact O-N 3.34Å; L557-E561 VanDerWaalsContact CD2-CD 3.48Å; L557-E561 HydrophobicContact CD2-CG 4.18Å; L557-E561 WeakPolarHBondContact CD2-OE2 3.39Å; L557-E561 WeakPolarHBondContact O-CB 3.43Å; L557-E561 WeakPolarHBondContact O-CG 3.32Å; L557-E561 PolarHBondContact O-N 2.9Å; L557-G630 VanDerWaalsContact CD1-C 3.48Å; L557-Q631 HydrophobicContact CD1-CG 4.2Å; L557-L634 HydrophobicContact CB-CD2 4.37Å
558	V	88.2	Confident	84.8	Confident	82 Å²	82	66 Å²	66	50%	0.497	33%	0.327	S	S	.	.	H	α-helix	trans	-57.4	-43.4	178.4	171.9	0	0	0	0	110.8	D554 M562	D554-V558 WeakPolarHBondContact O-CB 3.3Å; D554-V558 WeakPolarHBondContact O-CG2 3.5Å; D554-V558 PolarHBondContact O-N 3.29Å; V558-M562 HydrophobicContact CG1-SD 4.27Å; V558-M562 WeakPolarHBondContact O-CB 3.39Å; V558-M562 VanDerWaalsContact O-CG 3.25Å; V558-M562 WeakPolarHBondContact O-CG 3.43Å; V558-M562 PolarHBondContact O-N 3.04Å
559	R	87.4	Confident	84	Confident	82 Å²	82	62.7 Å²	62.7	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	-69.4	-42.2	-177.9	-168.3	70.3	-161	134.3	9.4	112.6	L545 D555 A556 L557 I563	L545-R559 HydrophobicContact CD2-CB 4.19Å; L545-R559 HydrophobicContact CD2-CG 3.71Å; D555-R559 WeakPolarHBondContact O-CB 3.48Å; D555-R559 PolarHBondContact O-N 3.49Å; A556-R559 PolarHBondContact O-N 3.04Å; L557-R559 VanDerWaalsContact C-N 3.28Å; L557-R559 PolarHBondContact O-N 3.31Å; R559-I563 HydrophobicContact CG-CD1 3.98Å; R559-I563 WeakPolarHBondContact O-CD1 3.41Å; R559-I563 WeakPolarHBondContact O-CG1 3.35Å; R559-I563 PolarHBondContact O-N 2.92Å; R559-I563 VanDerWaalsContact O-N 3.1Å
560	L	86.6	Confident	83.7	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-72.1	-36.1	179.5	-72.6	165.5	0	0	0	112	L543 L545 A556 L557 I563 A564 L571 L634 I637 L641	L543-L560 HydrophobicContact CD2-CD2 4.46Å; L545-L560 HydrophobicContact CD1-CD1 4.34Å; L545-L560 HydrophobicContact CD1-CD2 4.21Å; L545-L560 HydrophobicContact CD1-CG 4.33Å; L545-L560 HydrophobicContact CD2-CD2 3.84Å; L545-L560 HydrophobicContact CD2-CG 3.99Å; A556-L560 VanDerWaalsContact O-CB 3.25Å; A556-L560 WeakPolarHBondContact O-CB 3.43Å; A556-L560 WeakPolarHBondContact O-CD1 3.23Å; A556-L560 VanDerWaalsContact O-CG 3.28Å; A556-L560 WeakPolarHBondContact O-CG 3.38Å; A556-L560 PolarHBondContact O-N 2.96Å; L557-L560 PolarHBondContact O-N 3.34Å; L560-I563 PolarHBondContact O-N 3.06Å; L560-A564 VanDerWaalsContact O-CB 3.28Å; L560-A564 WeakPolarHBondContact O-CB 3.46Å; L560-A564 PolarHBondContact O-N 3.25Å; L560-L571 HydrophobicContact CD2-CD2 3.61Å; L560-L634 HydrophobicContact CD1-CD1 3.5Å; L560-L634 VanDerWaalsContact CD1-CD1 3.5Å; L560-I637 HydrophobicContact CB-CD1 4.31Å; L560-I637 HydrophobicContact CD1-CG2 4.01Å; L560-I637 HydrophobicContact CD2-CG2 4.18Å; L560-L641 HydrophobicContact CD2-CD1 4.45Å
561	E	81.3	Confident	83.4	Confident	82 Å²	82	53.6 Å²	53.6	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-47	172.2	-74.4	-171.8	164.6	0	0	111.7	L557 I563 A564 M565	L557-E561 VanDerWaalsContact CD2-CD 3.48Å; L557-E561 HydrophobicContact CD2-CG 4.18Å; L557-E561 WeakPolarHBondContact CD2-OE2 3.39Å; L557-E561 WeakPolarHBondContact O-CB 3.43Å; L557-E561 WeakPolarHBondContact O-CG 3.32Å; L557-E561 PolarHBondContact O-N 2.9Å; E561-I563 VanDerWaalsContact C-N 3.3Å; E561-I563 PolarHBondContact O-N 2.78Å; E561-A564 PolarHBondContact O-N 3.39Å; E561-M565 WeakPolarHBondContact O-CG 3.45Å; E561-M565 PolarHBondContact O-N 3.05Å
562	M	83.1	Confident	82.8	Confident	85 Å²	85	50.4 Å²	50.4	42%	0.419	26%	0.263	S	S	.	.	H	α-helix	trans	-55.9	-45.6	174.5	-75.6	-177.1	76.9	0	0	111.9	V558 M565 E566	V558-M562 HydrophobicContact CG1-SD 4.27Å; V558-M562 WeakPolarHBondContact O-CB 3.39Å; V558-M562 VanDerWaalsContact O-CG 3.25Å; V558-M562 WeakPolarHBondContact O-CG 3.43Å; V558-M562 PolarHBondContact O-N 3.04Å; M562-M565 PolarHBondContact O-N 3.25Å; M562-E566 WeakPolarHBondContact O-CG 3.26Å; M562-E566 PolarHBondContact O-N 3.32Å
563	I	83.8	Confident	82.3	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-65.8	-41.1	179.7	-68.9	166.4	0	0	0	110.9	L543 L545 R559 L560 E561 M565 E566 N567 D570 L571	L543-I563 HydrophobicContact CD1-CD1 3.74Å; L543-I563 HydrophobicContact CD1-CG2 3.94Å; L545-I563 HydrophobicContact CD2-CD1 4.24Å; R559-I563 HydrophobicContact CG-CD1 3.98Å; R559-I563 WeakPolarHBondContact O-CD1 3.41Å; R559-I563 WeakPolarHBondContact O-CG1 3.35Å; R559-I563 PolarHBondContact O-N 2.92Å; R559-I563 VanDerWaalsContact O-N 3.1Å; L560-I563 PolarHBondContact O-N 3.06Å; E561-I563 VanDerWaalsContact C-N 3.3Å; E561-I563 PolarHBondContact O-N 2.78Å; I563-M565 VanDerWaalsContact C-N 3.32Å; I563-M565 PolarHBondContact O-N 2.78Å; I563-E566 PolarHBondContact O-N 2.96Å; I563-N567 CarbonylContact O-C 3.08Å; I563-N567 VanDerWaalsContact O-C 3.25Å; I563-N567 PolarHBondContact O-N 2.71Å; I563-N567 VanDerWaalsContact O-O 3.11Å; I563-D570 HydrophobicContact CG2-CB 3.57Å; I563-L571 HydrophobicContact CG2-CD2 4.04Å; I563-L571 HydrophobicContact CG2-CG 4.43Å
564	A	78.4	Confident	81.8	Confident	19 Å²	19	53.3 Å²	53.3	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-33	175.4	0	0	0	0	0	113.3	L560 E561 P568 L571 M759	L560-A564 VanDerWaalsContact O-CB 3.28Å; L560-A564 WeakPolarHBondContact O-CB 3.46Å; L560-A564 PolarHBondContact O-N 3.25Å; E561-A564 PolarHBondContact O-N 3.39Å; A564-P568 WeakPolarHBondContact O-CD 3.5Å; A564-P568 WeakPolarHBondContact O-CG 3.44Å; A564-L571 HydrophobicContact CB-CD1 4.31Å; A564-M759 HydrophobicContact CB-CE 3.39Å
565	M	76.9	Confident	81.7	Confident	171 Å²	171	49 Å²	49	84%	0.842	25%	0.254	S	S	*	.	H	α-helix	trans	-77.9	-33	176.1	-67.4	-174.7	94.3	0	0	113.1	E561 M562 I563	E561-M565 WeakPolarHBondContact O-CG 3.45Å; E561-M565 PolarHBondContact O-N 3.05Å; M562-M565 PolarHBondContact O-N 3.25Å; I563-M565 VanDerWaalsContact C-N 3.32Å; I563-M565 PolarHBondContact O-N 2.78Å
566	E	78.8	Confident	81.5	Confident	144 Å²	144	49.3 Å²	49.3	67%	0.673	25%	0.252	S	S	*	.	H	α-helix	trans	-77.5	-51	177.1	-74.3	177.5	-177.1	0	0	112.2	M562 I563	M562-E566 WeakPolarHBondContact O-CG 3.26Å; M562-E566 PolarHBondContact O-N 3.32Å; I563-E566 PolarHBondContact O-N 2.96Å
567	N	75	Confident	81.4	Confident	67 Å²	67	49.4 Å²	49.4	36%	0.358	25%	0.253	S	S	.	.			trans	-159	103.8	176.8	179.8	19	0	0	0	111.3	I563 A569 D570	I563-N567 CarbonylContact O-C 3.08Å; I563-N567 VanDerWaalsContact O-C 3.25Å; I563-N567 PolarHBondContact O-N 2.71Å; I563-N567 VanDerWaalsContact O-O 3.11Å; N567-A569 PolarHBondContact O-N 3.32Å; N567-A569 WeakPolarHBondContact OD1-CB 3.23Å; N567-A569 PolarHBondContact OD1-N 2.91Å; N567-A569 VanDerWaalsContact OD1-N 3.16Å; N567-D570 PolarHBondContact ND2-OD1 3.45Å; N567-D570 WeakPolarHBondContact O-CB 3.14Å; N567-D570 PolarHBondContact O-N 2.87Å
568	P	76	Confident	81.5	Confident	79 Å²	79	50.2 Å²	50.2	51%	0.513	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-53.7	-27.9	176.3	-26.2	32.7	0	0	0	114.9	A564 D570 L571	A564-P568 WeakPolarHBondContact O-CD 3.5Å; A564-P568 WeakPolarHBondContact O-CG 3.44Å; P568-D570 PolarHBondContact O-N 2.74Å; P568-L571 WeakPolarHBondContact O-CB 3.42Å; P568-L571 PolarHBondContact O-N 3.4Å
569	A	74.6	Confident	81.5	Confident	25 Å²	25	46.8 Å²	46.8	21%	0.207	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-67.2	-22.4	178.5	0	0	0	0	0	113.2	N567 L571 K572	N567-A569 PolarHBondContact O-N 3.32Å; N567-A569 WeakPolarHBondContact OD1-CB 3.23Å; N567-A569 PolarHBondContact OD1-N 2.91Å; N567-A569 VanDerWaalsContact OD1-N 3.16Å; A569-L571 PolarHBondContact O-N 2.81Å; A569-K572 WeakPolarHBondContact O-CB 3.46Å; A569-K572 PolarHBondContact O-N 3.45Å
570	D	80.3	Confident	81.5	Confident	36 Å²	36	47.7 Å²	47.7	19%	0.193	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26.7	177.7	-89.9	43.2	0	0	0	112.5	I563 N567 P568 K572 K573	I563-D570 HydrophobicContact CG2-CB 3.57Å; N567-D570 PolarHBondContact ND2-OD1 3.45Å; N567-D570 WeakPolarHBondContact O-CB 3.14Å; N567-D570 PolarHBondContact O-N 2.87Å; P568-D570 PolarHBondContact O-N 2.74Å; D570-K572 PolarHBondContact O-N 3.27Å; D570-K572 VanDerWaalsContact O-N 3.15Å; D570-K573 HydrophobicContact CB-CD 4.22Å; D570-K573 VanDerWaalsContact CG-CE 3.41Å; D570-K573 WeakPolarHBondContact O-CB 3.26Å; D570-K573 PolarHBondContact O-N 2.98Å; D570-K573 VanDerWaalsContact O-N 3.08Å; D570-K573 WeakPolarHBondContact OD1-CE 3.35Å; D570-K573 IonicContact OD1-NZ 2.96Å; D570-K573 PolarHBondContact OD1-NZ 3.09Å; D570-K573 WeakPolarHBondContact OD2-CE 3.32Å; D570-K573 IonicContact OD2-NZ 3.31Å; D570-K573 PolarHBondContact OD2-NZ 3.03Å
571	L	81.1	Confident	81.2	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-62	-18.6	173.3	-62	177	0	0	0	113.2	L543 L560 I563 A564 P568 A569 L641 M759	L543-L571 HydrophobicContact CD1-CD2 4.22Å; L560-L571 HydrophobicContact CD2-CD2 3.61Å; I563-L571 HydrophobicContact CG2-CD2 4.04Å; I563-L571 HydrophobicContact CG2-CG 4.43Å; A564-L571 HydrophobicContact CB-CD1 4.31Å; P568-L571 WeakPolarHBondContact O-CB 3.42Å; P568-L571 PolarHBondContact O-N 3.4Å; A569-L571 PolarHBondContact O-N 2.81Å; L571-L641 WeakPolarHBondContact O-CD2 3.44Å; L571-M759 HydrophobicContact CD1-CB 4.08Å; L571-M759 HydrophobicContact CD1-CE 3.91Å
572	K	76.3	Confident	81.3	Confident	12 Å²	12	52.5 Å²	52.5	5%	0.052	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-94.5	-1.9	179.3	-58.4	168.3	-179.6	172.7	0	112.7	M521 A569 D570 N762 E763	M521-K572 VanDerWaalsContact CG-O 3.29Å; M521-K572 WeakPolarHBondContact CG-O 2.88Å; A569-K572 WeakPolarHBondContact O-CB 3.46Å; A569-K572 PolarHBondContact O-N 3.45Å; D570-K572 PolarHBondContact O-N 3.27Å; D570-K572 VanDerWaalsContact O-N 3.15Å; K572-N762 VanDerWaalsContact CE-OD1 3.3Å; K572-N762 WeakPolarHBondContact CE-OD1 3.16Å; K572-N762 PolarHBondContact NZ-OD1 2.92Å; K572-E763 IonicContact NZ-OE1 2.95Å; K572-E763 PolarHBondContact NZ-OE1 2.87Å; K572-E763 IonicContact NZ-OE2 3.76Å; K572-E763 PolarHBondContact NZ-OE2 3.06Å
573	K	78.3	Confident	80.7	Confident	3 Å²	3	58.2 Å²	58.2	1%	0.013	31%	0.313	C	S	.	.	S	Bend	trans	-71.2	159	170.7	-64.4	174	178	178.2	0	109.7	E524 T528 N540 L543 D570 L575	E524-K573 HydrophobicContact CB-CG 4.3Å; T528-K573 PolarHBondContact OG1-NZ 2.83Å; N540-K573 PolarHBondContact O-NZ 3.09Å; L543-K573 HydrophobicContact CB-CB 4.18Å; D570-K573 HydrophobicContact CB-CD 4.22Å; D570-K573 VanDerWaalsContact CG-CE 3.41Å; D570-K573 WeakPolarHBondContact O-CB 3.26Å; D570-K573 PolarHBondContact O-N 2.98Å; D570-K573 VanDerWaalsContact O-N 3.08Å; D570-K573 WeakPolarHBondContact OD1-CE 3.35Å; D570-K573 IonicContact OD1-NZ 2.96Å; D570-K573 PolarHBondContact OD1-NZ 3.09Å; D570-K573 WeakPolarHBondContact OD2-CE 3.32Å; D570-K573 IonicContact OD2-NZ 3.31Å; D570-K573 PolarHBondContact OD2-NZ 3.03Å; K573-L575 PolarHBondContact O-N 2.96Å
574	Q	77.4	Confident	79.8	Confident	68 Å²	68	60.4 Å²	60.4	32%	0.318	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-59.5	130.9	174.6	-169.1	-173.5	-27.3	0	0	109.4	M521 Y542 L543	M521-Q574 HydrophobicContact CE-CB 4.44Å; M521-Q574 HydrophobicContact CG-CB 4.44Å; M521-Q574 HydrophobicContact SD-CB 3.7Å; M521-Q574 HydrophobicContact SD-CG 4.17Å; Y542-Q574 WeakPolarHBondContact CA-O 3.31Å; Y542-Q574 HydrophobicContact CD1-CB 4.33Å; L543-Q574 PolarHBondContact N-O 3.48Å
575	L	85.9	Confident	79.6	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	142.4	175.7	-176.6	62.3	0	0	0	110.2	L543 L545 K573 V577 S591 F595	L543-L575 HydrophobicContact CD2-CD1 4.03Å; L543-L575 HydrophobicContact CG-CD1 4.25Å; L545-L575 HydrophobicContact CD1-CD1 3.73Å; L545-L575 HydrophobicContact CG-CD1 3.9Å; K573-L575 PolarHBondContact O-N 2.96Å; L575-V577 HydrophobicContact CD1-CG2 4.02Å; L575-V577 HydrophobicContact CD2-CG2 4.04Å; L575-V577 HydrophobicContact CG-CG2 3.9Å; L575-S591 WeakPolarHBondContact CD2-OG 3.45Å; L575-S591 WeakPolarHBondContact CG-OG 3.47Å; L575-F595 HydrophobicContact CD2-CE1 4.19Å; L575-F595 HydrophobicContact CD2-CE2 3.91Å; L575-F595 HydrophobicContact CD2-CZ 3.5Å
576	Y	86.2	Confident	79.4	Confident	39 Å²	39	56.9 Å²	56.9	15%	0.153	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	108.1	172.3	-172.6	-87.6	0	0	0	108.4	Y542 L543 R544 L545 E578 V585 D586	Y542-Y576 HydrophobicContact CD1-CD2 4.33Å; Y542-Y576 HydrophobicContact CD1-CG 4.49Å; L543-Y576 PolarHBondContact O-N 3.35Å; R544-Y576 WeakPolarHBondContact CA-O 3.19Å; R544-Y576 HydrophobicContact CG-CD1 4.46Å; L545-Y576 PolarHBondContact N-O 2.9Å; Y576-E578 HydrophobicContact CD1-CG 4.03Å; Y576-E578 HydrophobicContact CE1-CG 3.59Å; Y576-E578 WeakPolarHBondContact CE1-OE1 3.24Å; Y576-V585 HydrophobicContact CE2-CG1 4.46Å; Y576-D586 HydrophobicContact CD2-CB 3.81Å; Y576-D586 HydrophobicContact CE2-CB 3.73Å; Y576-D586 HydrophobicContact CG-CB 4.31Å
577	V	88.4	Confident	79	Confident	3 Å²	3	58 Å²	58	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	138	-176.9	-174.8	0	0	0	0	111.3	L545 V547 L575 D586 V590 F594	L545-V577 CarbonylContact O-C 3.42Å; L545-V577 WeakPolarHBondContact O-CA 3.41Å; V547-V577 HydrophobicContact CG2-CG1 4.24Å; L575-V577 HydrophobicContact CD1-CG2 4.02Å; L575-V577 HydrophobicContact CD2-CG2 4.04Å; L575-V577 HydrophobicContact CG-CG2 3.9Å; V577-D586 PolarHBondContact N-OD2 3.24Å; V577-V590 HydrophobicContact CB-CG1 4.06Å; V577-V590 HydrophobicContact CG1-CG1 4.09Å; V577-F594 HydrophobicContact CB-CB 4.47Å; V577-F594 HydrophobicContact CG1-CB 4Å; V577-F594 HydrophobicContact CG1-CD2 4.39Å; V577-F594 HydrophobicContact CG1-CG 4.25Å; V577-F594 HydrophobicContact CG2-CB 4.06Å; V577-F594 HydrophobicContact CG2-CD1 4.1Å; V577-F594 HydrophobicContact CG2-CG 4.06Å
578	E	88.1	Confident	78.8	Confident	45 Å²	45	56.6 Å²	56.6	21%	0.21	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	172.7	-65.9	178.9	162.8	0	0	110.2	R544 L545 K546 V547 Y576	R544-E578 IonicContact CZ-OE1 3.79Å; R544-E578 IonicContact CZ-OE2 2.67Å; R544-E578 IonicContact NE-OE1 3.42Å; R544-E578 PolarHBondContact NE-OE1 3.35Å; R544-E578 VanDerWaalsContact NE-OE1 3.17Å; R544-E578 IonicContact NE-OE2 2.73Å; R544-E578 PolarHBondContact NE-OE2 3.35Å; R544-E578 IonicContact NH2-OE1 3.88Å; R544-E578 PolarHBondContact NH2-OE1 3.45Å; R544-E578 IonicContact NH2-OE2 2.61Å; R544-E578 PolarHBondContact NH2-OE2 3.31Å; L545-E578 PolarHBondContact O-N 3.16Å; K546-E578 VanDerWaalsContact CA-O 3.3Å; K546-E578 WeakPolarHBondContact CA-O 3.38Å; K546-E578 HydrophobicContact CB-CB 4.42Å; K546-E578 HydrophobicContact CG-CB 4.27Å; V547-E578 PolarHBondContact N-O 3.02Å; Y576-E578 HydrophobicContact CD1-CG 4.03Å; Y576-E578 HydrophobicContact CE1-CG 3.59Å; Y576-E578 WeakPolarHBondContact CE1-OE1 3.24Å
579	F	87.8	Confident	78.8	Confident	9 Å²	9	53 Å²	53	4%	0.039	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.8	166.5	-71.1	-65.3	0	0	0	110.3	V547 R549 I552 G581 E582 V590 E593 F594 L597	V547-F579 HydrophobicContact CG2-CD1 3.82Å; V547-F579 HydrophobicContact CG2-CE1 3.75Å; V547-F579 CarbonylContact O-C 3.59Å; V547-F579 WeakPolarHBondContact O-CA 3.26Å; R549-F579 HydrophobicContact CG-CD1 3.63Å; R549-F579 HydrophobicContact CG-CE1 3.97Å; R549-F579 HydrophobicContact CG-CG 4.12Å; I552-F579 HydrophobicContact CD1-CE1 4.37Å; F579-G581 PolarHBondContact O-N 3.41Å; F579-E582 HydrophobicContact CB-CB 4.22Å; F579-E582 HydrophobicContact CB-CG 4.09Å; F579-E582 WeakPolarHBondContact CB-OE2 3.28Å; F579-E582 PolarHBondContact O-N 2.99Å; F579-E582 VanDerWaalsContact O-N 3.14Å; F579-V590 HydrophobicContact CD2-CG1 3.68Å; F579-V590 HydrophobicContact CE2-CG1 3.67Å; F579-E593 HydrophobicContact CE2-CG 4.24Å; F579-E593 WeakPolarHBondContact CE2-OE2 3.49Å; F579-E593 HydrophobicContact CZ-CG 4.48Å; F579-F594 HydrophobicContact CZ-CB 4.41Å; F579-L597 HydrophobicContact CE1-CD1 4.46Å; F579-L597 HydrophobicContact CZ-CD1 4.01Å
580	E	87.3	Confident	79.2	Confident	102 Å²	102	53.2 Å²	53.2	48%	0.477	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	123.5	-177.9	179.6	161.1	-122.4	0	0	111.9	K546 V547 R548	K546-E580 WeakPolarHBondContact CE-OE1 3.4Å; K546-E580 IonicContact NZ-OE1 2.78Å; K546-E580 PolarHBondContact NZ-OE1 3.28Å; V547-E580 PolarHBondContact O-N 2.97Å; R548-E580 WeakPolarHBondContact CD-OE2 3.32Å; R548-E580 HydrophobicContact CG-CB 3.91Å; R548-E580 WeakPolarHBondContact CG-OE2 3.25Å
581	G	81.3	Confident	79.3	Confident	83 Å²	83	51.9 Å²	51.9	86%	0.856	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	-10.2	-178.6	0	0	0	0	0	114.3	F579	F579-G581 PolarHBondContact O-N 3.41Å
582	E	82.1	Confident	79.3	Confident	101 Å²	101	53.3 Å²	53.3	47%	0.472	31%	0.305	S	S	.	.			trans	-96.6	138.8	180	-60.2	-172.6	175.8	0	0	111.5	R549 F579	R549-E582 IonicContact CZ-OE1 3.81Å; R549-E582 IonicContact CZ-OE2 3.92Å; R549-E582 IonicContact NE-OE1 2.89Å; R549-E582 PolarHBondContact NE-OE1 2.68Å; R549-E582 IonicContact NE-OE2 3.37Å; R549-E582 PolarHBondContact NE-OE2 2.85Å; R549-E582 IonicContact NH2-OE1 3.16Å; R549-E582 PolarHBondContact NH2-OE1 3.46Å; R549-E582 IonicContact NH2-OE2 3.6Å; R549-E582 PolarHBondContact NH2-OE2 3.3Å; F579-E582 HydrophobicContact CB-CB 4.22Å; F579-E582 HydrophobicContact CB-CG 4.09Å; F579-E582 WeakPolarHBondContact CB-OE2 3.28Å; F579-E582 PolarHBondContact O-N 2.99Å; F579-E582 VanDerWaalsContact O-N 3.14Å
583	Q	70.5	Confident	79.7	Confident	205 Å²	205	55.1 Å²	55.1	96%	0.958	31%	0.314	S	S	*	.			trans	-97.2	107.4	172.8	-68.7	-173.3	6.3	0	0	109.2
584	G	66	Low	80.1	Confident	55 Å²	55	55 Å²	55	57%	0.567	31%	0.313	S	S	*	.			trans	-155.1	159.2	176.8	0	0	0	0	0	111.6
585	V	72.9	Confident	80.7	Confident	105 Å²	105	51.9 Å²	51.9	64%	0.636	30%	0.299	S	S	*	.			trans	-110.3	126.2	167.7	178.7	0	0	0	0	106.8	Y576 E587	Y576-V585 HydrophobicContact CE2-CG1 4.46Å; V585-E587 HydrophobicContact CG1-CG 4.4Å; V585-E587 PolarHBondContact O-N 2.91Å; V585-E587 VanDerWaalsContact O-N 3.07Å
586	D	73.1	Confident	80.6	Confident	11 Å²	11	54.5 Å²	54.5	6%	0.059	31%	0.311	C	S	.	.			trans	-78.2	95.8	179.1	-170.8	17.1	0	0	0	110.8	Y576 V577 G588 V590 S591	Y576-D586 HydrophobicContact CD2-CB 3.81Å; Y576-D586 HydrophobicContact CE2-CB 3.73Å; Y576-D586 HydrophobicContact CG-CB 4.31Å; V577-D586 PolarHBondContact N-OD2 3.24Å; D586-G588 VanDerWaalsContact OD1-CA 3.29Å; D586-G588 WeakPolarHBondContact OD1-CA 3.33Å; D586-G588 PolarHBondContact OD1-N 2.59Å; D586-V590 HydrophobicContact CB-CB 4.08Å; D586-V590 HydrophobicContact CB-CG2 4.25Å; D586-V590 WeakPolarHBondContact OD1-CB 3.38Å; D586-V590 PolarHBondContact OD1-N 3.34Å; D586-V590 VanDerWaalsContact OD1-N 3.09Å; D586-S591 PolarHBondContact OD1-N 2.97Å; D586-S591 VanDerWaalsContact OD1-N 3.1Å; D586-S591 WeakPolarHBondContact OD2-CB 3.37Å; D586-S591 PolarHBondContact OD2-N 3.03Å; D586-S591 PolarHBondContact OD2-OG 2.79Å
587	E	69.8	Low	80.6	Confident	167 Å²	167	54.9 Å²	54.9	78%	0.78	32%	0.315	S	S	*	.	S	Bend	trans	-87.5	14.7	168.4	-59.3	-167.1	153.2	0	0	112.2	V585	V585-E587 HydrophobicContact CG1-CG 4.4Å; V585-E587 PolarHBondContact O-N 2.91Å; V585-E587 VanDerWaalsContact O-N 3.07Å
588	G	71.9	Confident	80.7	Confident	37 Å²	37	54.7 Å²	54.7	38%	0.381	31%	0.314	S	S	.	.	S	Bend	trans	110	-20.4	-178.5	0	0	0	0	0	113.5	D586 K592	D586-G588 VanDerWaalsContact OD1-CA 3.29Å; D586-G588 WeakPolarHBondContact OD1-CA 3.33Å; D586-G588 PolarHBondContact OD1-N 2.59Å; G588-K592 WeakPolarHBondContact O-CB 3.4Å; G588-K592 PolarHBondContact O-N 2.96Å
589	G	74.7	Confident	80.7	Confident	4 Å²	4	53.2 Å²	53.2	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-68.3	-35.8	178.5	0	0	0	0	0	113.6	K592 E593	G589-K592 PolarHBondContact O-N 2.93Å; G589-E593 PolarHBondContact O-N 3.01Å; G589-E593 VanDerWaalsContact O-N 3.09Å
590	V	83.3	Confident	80.6	Confident	29 Å²	29	59.6 Å²	59.6	18%	0.176	34%	0.338	C	S	.	.	H	α-helix	trans	-77.5	-39.9	178.8	-169.3	0	0	0	0	109.9	V577 F579 D586 K592 E593 F594	V577-V590 HydrophobicContact CB-CG1 4.06Å; V577-V590 HydrophobicContact CG1-CG1 4.09Å; F579-V590 HydrophobicContact CD2-CG1 3.68Å; F579-V590 HydrophobicContact CE2-CG1 3.67Å; D586-V590 HydrophobicContact CB-CB 4.08Å; D586-V590 HydrophobicContact CB-CG2 4.25Å; D586-V590 WeakPolarHBondContact OD1-CB 3.38Å; D586-V590 PolarHBondContact OD1-N 3.34Å; D586-V590 VanDerWaalsContact OD1-N 3.09Å; V590-K592 VanDerWaalsContact C-N 3.3Å; V590-K592 PolarHBondContact O-N 3.11Å; V590-E593 PolarHBondContact O-N 3.32Å; V590-F594 WeakPolarHBondContact O-CB 3.42Å; V590-F594 PolarHBondContact O-N 3.03Å
591	S	83.9	Confident	80.6	Confident	8 Å²	8	58.3 Å²	58.3	6%	0.056	33%	0.332	C	S	.	.	H	α-helix	trans	-54.8	-43.8	168.1	-78.1	0	0	0	0	112.5	L575 D586 F594 F595	L575-S591 WeakPolarHBondContact CD2-OG 3.45Å; L575-S591 WeakPolarHBondContact CG-OG 3.47Å; D586-S591 PolarHBondContact OD1-N 2.97Å; D586-S591 VanDerWaalsContact OD1-N 3.1Å; D586-S591 WeakPolarHBondContact OD2-CB 3.37Å; D586-S591 PolarHBondContact OD2-N 3.03Å; D586-S591 PolarHBondContact OD2-OG 2.79Å; S591-F594 PolarHBondContact O-N 2.76Å; S591-F595 WeakPolarHBondContact O-CD2 3.37Å; S591-F595 WeakPolarHBondContact O-CG 3.32Å; S591-F595 PolarHBondContact O-N 2.78Å
592	K	81.1	Confident	81	Confident	31 Å²	31	54.3 Å²	54.3	14%	0.135	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.4	-175.7	177.9	175.3	-166.5	0	112.6	G588 G589 V590 F595 Q596 T830 T862 N865	G588-K592 WeakPolarHBondContact O-CB 3.4Å; G588-K592 PolarHBondContact O-N 2.96Å; G589-K592 PolarHBondContact O-N 2.93Å; V590-K592 VanDerWaalsContact C-N 3.3Å; V590-K592 PolarHBondContact O-N 3.11Å; K592-F595 PolarHBondContact O-N 3.29Å; K592-Q596 WeakPolarHBondContact O-CG 3.46Å; K592-Q596 PolarHBondContact O-N 3.2Å; K592-Q596 VanDerWaalsContact O-N 3.12Å; K592-T830 VanDerWaalsContact CE-O 3.31Å; K592-T830 WeakPolarHBondContact CE-O 3.43Å; K592-T830 PolarHBondContact NZ-O 3.15Å; K592-T862 PolarHBondContact NZ-O 3.48Å; K592-N865 PolarHBondContact NZ-OD1 3.02Å
593	E	82.8	Confident	81.3	Confident	50 Å²	50	50.3 Å²	50.3	23%	0.234	27%	0.272	C	S	.	.	H	α-helix	trans	-61.5	-45.3	175	-176.7	176.6	-153.7	0	0	111.6	R549 F579 G589 V590 F595 Q596 L597	R549-E593 IonicContact CZ-OE1 2.76Å; R549-E593 IonicContact CZ-OE2 2.86Å; R549-E593 VanDerWaalsContact NH1-CD 3.28Å; R549-E593 IonicContact NH1-OE1 2.76Å; R549-E593 PolarHBondContact NH1-OE1 2.95Å; R549-E593 IonicContact NH1-OE2 3.99Å; R549-E593 IonicContact NH2-OE1 3.84Å; R549-E593 PolarHBondContact NH2-OE1 2.83Å; R549-E593 IonicContact NH2-OE2 3.31Å; R549-E593 PolarHBondContact NH2-OE2 3.49Å; F579-E593 HydrophobicContact CE2-CG 4.24Å; F579-E593 WeakPolarHBondContact CE2-OE2 3.49Å; F579-E593 HydrophobicContact CZ-CG 4.48Å; G589-E593 PolarHBondContact O-N 3.01Å; G589-E593 VanDerWaalsContact O-N 3.09Å; V590-E593 PolarHBondContact O-N 3.32Å; E593-F595 PolarHBondContact O-N 2.88Å; E593-Q596 PolarHBondContact O-N 2.84Å; E593-Q596 VanDerWaalsContact O-N 3.15Å; E593-L597 HydrophobicContact CG-CD1 3.98Å; E593-L597 HydrophobicContact CG-CG 4.48Å; E593-L597 WeakPolarHBondContact O-CG 3.29Å; E593-L597 PolarHBondContact O-N 3.38Å
594	F	88.4	Confident	82.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-56.5	-46.1	175	166.2	-100.6	0	0	0	112.6	L545 V547 I552 A556 V577 F579 V590 S591 Q596 L597 V598	L545-F594 HydrophobicContact CD1-CE1 4.1Å; L545-F594 HydrophobicContact CD1-CZ 3.91Å; V547-F594 HydrophobicContact CG2-CD2 4.29Å; I552-F594 HydrophobicContact CG2-CD2 3.86Å; I552-F594 HydrophobicContact CG2-CE2 3.75Å; A556-F594 HydrophobicContact CB-CE2 3.96Å; A556-F594 HydrophobicContact CB-CZ 4Å; V577-F594 HydrophobicContact CB-CB 4.47Å; V577-F594 HydrophobicContact CG1-CB 4Å; V577-F594 HydrophobicContact CG1-CD2 4.39Å; V577-F594 HydrophobicContact CG1-CG 4.25Å; V577-F594 HydrophobicContact CG2-CB 4.06Å; V577-F594 HydrophobicContact CG2-CD1 4.1Å; V577-F594 HydrophobicContact CG2-CG 4.06Å; F579-F594 HydrophobicContact CZ-CB 4.41Å; V590-F594 WeakPolarHBondContact O-CB 3.42Å; V590-F594 PolarHBondContact O-N 3.03Å; S591-F594 PolarHBondContact O-N 2.76Å; F594-Q596 VanDerWaalsContact C-N 3.32Å; F594-Q596 PolarHBondContact O-N 3.2Å; F594-L597 PolarHBondContact O-N 2.81Å; F594-V598 HydrophobicContact CD2-CG2 4.04Å; F594-V598 HydrophobicContact CE1-CG2 4.38Å; F594-V598 HydrophobicContact CE2-CG2 3.64Å; F594-V598 HydrophobicContact CZ-CG2 3.83Å; F594-V598 WeakPolarHBondContact O-CG2 3.35Å; F594-V598 PolarHBondContact O-N 3.1Å
595	F	88.4	Confident	83	Confident	3 Å²	3	45.6 Å²	45.6	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-61.5	-38.5	176.4	-72.5	-47.8	0	0	0	113	L575 S591 K592 E593 V599 V638 L641 A642 C647 L649	L575-F595 HydrophobicContact CD2-CE1 4.19Å; L575-F595 HydrophobicContact CD2-CE2 3.91Å; L575-F595 HydrophobicContact CD2-CZ 3.5Å; S591-F595 WeakPolarHBondContact O-CD2 3.37Å; S591-F595 WeakPolarHBondContact O-CG 3.32Å; S591-F595 PolarHBondContact O-N 2.78Å; K592-F595 PolarHBondContact O-N 3.29Å; E593-F595 PolarHBondContact O-N 2.88Å; F595-V599 WeakPolarHBondContact O-CB 3.23Å; F595-V599 VanDerWaalsContact O-CG2 3.29Å; F595-V599 WeakPolarHBondContact O-CG2 3.48Å; F595-V599 PolarHBondContact O-N 2.85Å; F595-V599 VanDerWaalsContact O-N 3.15Å; F595-V638 HydrophobicContact CD1-CG1 3.87Å; F595-V638 HydrophobicContact CE1-CG1 4.22Å; F595-L641 HydrophobicContact CE1-CB 4Å; F595-L641 HydrophobicContact CZ-CB 3.93Å; F595-A642 HydrophobicContact CE1-CB 4.48Å; F595-A642 HydrophobicContact CZ-CB 4.47Å; F595-C647 HydrophobicContact CD2-CB 3.98Å; F595-C647 HydrophobicContact CE2-CB 4Å; F595-L649 HydrophobicContact CB-CD2 3.67Å; F595-L649 HydrophobicContact CD1-CD2 4.27Å; F595-L649 HydrophobicContact CG-CD2 4Å
596	Q	83.6	Confident	83.5	Confident	58 Å²	58	47.5 Å²	47.5	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-65	-48.1	177	-73.1	176.7	-35.6	0	0	111.6	K592 E593 F594 V599 E600	K592-Q596 WeakPolarHBondContact O-CG 3.46Å; K592-Q596 PolarHBondContact O-N 3.2Å; K592-Q596 VanDerWaalsContact O-N 3.12Å; E593-Q596 PolarHBondContact O-N 2.84Å; E593-Q596 VanDerWaalsContact O-N 3.15Å; F594-Q596 VanDerWaalsContact C-N 3.32Å; F594-Q596 PolarHBondContact O-N 3.2Å; Q596-V599 PolarHBondContact O-N 3.39Å; Q596-E600 WeakPolarHBondContact O-CB 3.49Å; Q596-E600 PolarHBondContact O-N 3.33Å
597	L	87.2	Confident	84	Confident	46 Å²	46	48.6 Å²	48.6	24%	0.241	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-42.3	-178.9	-65.1	169.9	0	0	0	112.2	I552 F579 E593 F594 V599 E600 E601	I552-L597 HydrophobicContact CD1-CB 3.59Å; I552-L597 HydrophobicContact CD1-CD1 3.56Å; I552-L597 HydrophobicContact CD1-CG 4.13Å; F579-L597 HydrophobicContact CE1-CD1 4.46Å; F579-L597 HydrophobicContact CZ-CD1 4.01Å; E593-L597 HydrophobicContact CG-CD1 3.98Å; E593-L597 HydrophobicContact CG-CG 4.48Å; E593-L597 WeakPolarHBondContact O-CG 3.29Å; E593-L597 PolarHBondContact O-N 3.38Å; F594-L597 PolarHBondContact O-N 2.81Å; L597-V599 VanDerWaalsContact C-N 3.34Å; L597-V599 PolarHBondContact O-N 2.93Å; L597-E600 PolarHBondContact O-N 2.91Å; L597-E601 WeakPolarHBondContact O-CB 3.45Å; L597-E601 PolarHBondContact O-N 3.34Å
598	V	89.8	Confident	84.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-39.1	176.4	173.8	0	0	0	0	111.9	I552 I553 F594 I602 V638	I552-V598 HydrophobicContact CG2-CG2 3.58Å; I553-V598 HydrophobicContact CD1-CB 4.26Å; I553-V598 HydrophobicContact CD1-CG1 3.8Å; I553-V598 HydrophobicContact CD1-CG2 4.19Å; F594-V598 HydrophobicContact CD2-CG2 4.04Å; F594-V598 HydrophobicContact CE1-CG2 4.38Å; F594-V598 HydrophobicContact CE2-CG2 3.64Å; F594-V598 HydrophobicContact CZ-CG2 3.83Å; F594-V598 WeakPolarHBondContact O-CG2 3.35Å; F594-V598 PolarHBondContact O-N 3.1Å; V598-I602 HydrophobicContact CG1-CG1 4.11Å; V598-I602 VanDerWaalsContact O-CB 3.28Å; V598-I602 WeakPolarHBondContact O-CB 3.47Å; V598-I602 WeakPolarHBondContact O-CG1 3.49Å; V598-I602 PolarHBondContact O-N 3.42Å; V598-V638 HydrophobicContact CG1-CG1 4.47Å; V598-V638 HydrophobicContact CG1-CG2 4.07Å
599	V	88.2	Confident	85.6	Confident	14 Å²	14	40 Å²	40	9%	0.085	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-43.5	176.2	169.3	0	0	0	0	110.9	F595 Q596 L597 E601 F603 I635 L649 V651	F595-V599 WeakPolarHBondContact O-CB 3.23Å; F595-V599 VanDerWaalsContact O-CG2 3.29Å; F595-V599 WeakPolarHBondContact O-CG2 3.48Å; F595-V599 PolarHBondContact O-N 2.85Å; F595-V599 VanDerWaalsContact O-N 3.15Å; Q596-V599 PolarHBondContact O-N 3.39Å; L597-V599 VanDerWaalsContact C-N 3.34Å; L597-V599 PolarHBondContact O-N 2.93Å; V599-E601 VanDerWaalsContact C-N 3.32Å; V599-E601 PolarHBondContact O-N 2.82Å; V599-F603 HydrophobicContact CG1-CD2 3.89Å; V599-F603 HydrophobicContact CG1-CE2 4.25Å; V599-F603 WeakPolarHBondContact O-CB 3.49Å; V599-F603 VanDerWaalsContact O-CD2 3.3Å; V599-F603 WeakPolarHBondContact O-CD2 3.15Å; V599-F603 PolarHBondContact O-N 2.65Å; V599-F603 VanDerWaalsContact O-N 3.12Å; V599-I635 HydrophobicContact CG2-CD1 4.47Å; V599-L649 HydrophobicContact CG2-CB 4.44Å; V599-L649 HydrophobicContact CG2-CD1 4.46Å; V599-L649 HydrophobicContact CG2-CD2 4.35Å; V599-V651 HydrophobicContact CG1-CG1 3.84Å; V599-V651 HydrophobicContact CG2-CG1 4.02Å
600	E	86.1	Confident	86.4	Confident	142 Å²	142	40.2 Å²	40.2	66%	0.664	21%	0.214	S	C	*	.	H	α-helix	trans	-59.6	-41.6	177.1	-172.7	172.3	-175.7	0	0	112.1	Q596 L597 N604	Q596-E600 WeakPolarHBondContact O-CB 3.49Å; Q596-E600 PolarHBondContact O-N 3.33Å; L597-E600 PolarHBondContact O-N 2.91Å; E600-N604 PolarHBondContact O-N 3.43Å
601	E	88.4	Confident	86.7	Confident	75 Å²	75	42 Å²	42	35%	0.35	23%	0.225	S	C	.	.	H	α-helix	trans	-75.4	-42.4	-178.3	-161.8	174.4	164.7	0	0	113	I553 L597 V599 N604	I553-E601 HydrophobicContact CD1-CB 4.35Å; I553-E601 HydrophobicContact CG1-CB 4.24Å; I553-E601 HydrophobicContact CG1-CG 3.92Å; L597-E601 WeakPolarHBondContact O-CB 3.45Å; L597-E601 PolarHBondContact O-N 3.34Å; V599-E601 VanDerWaalsContact C-N 3.32Å; V599-E601 PolarHBondContact O-N 2.82Å; E601-N604 WeakPolarHBondContact O-CB 3.48Å; E601-N604 PolarHBondContact O-N 2.91Å
602	I	89.3	Confident	86.9	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-31.3	-179.1	-70.2	-72	0	0	0	113.1	I553 V598 I607 M609 F610 Q631 I635	I553-I602 HydrophobicContact CD1-CD1 3.88Å; I553-I602 HydrophobicContact CD1-CG1 3.7Å; I553-I602 HydrophobicContact CG1-CD1 4.42Å; I553-I602 HydrophobicContact CG2-CD1 4.37Å; V598-I602 HydrophobicContact CG1-CG1 4.11Å; V598-I602 VanDerWaalsContact O-CB 3.28Å; V598-I602 WeakPolarHBondContact O-CB 3.47Å; V598-I602 WeakPolarHBondContact O-CG1 3.49Å; V598-I602 PolarHBondContact O-N 3.42Å; I602-I607 HydrophobicContact CD1-CD1 4.31Å; I602-I607 VanDerWaalsContact O-CG2 3.29Å; I602-I607 WeakPolarHBondContact O-CG2 3.48Å; I602-M609 HydrophobicContact CD1-CE 4.24Å; I602-M609 HydrophobicContact CD1-SD 3.72Å; I602-M609 HydrophobicContact CG2-CE 4.24Å; I602-M609 HydrophobicContact CG2-SD 4.27Å; I602-F610 HydrophobicContact CG2-CD2 4.15Å; I602-F610 HydrophobicContact CG2-CE2 3.69Å; I602-Q631 HydrophobicContact CD1-CB 4.25Å; I602-I635 HydrophobicContact CG2-CB 4.05Å; I602-I635 HydrophobicContact CG2-CD1 4.37Å; I602-I635 HydrophobicContact CG2-CG1 3.99Å; I602-I635 HydrophobicContact CG2-CG2 4.27Å
603	F	88.5	Confident	87.1	Confident	16 Å²	16	48 Å²	48	7%	0.07	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	4	179.1	-68.9	-88.5	0	0	0	113.3	V599 P605 F610 F619 I635 V651 F653	V599-F603 HydrophobicContact CG1-CD2 3.89Å; V599-F603 HydrophobicContact CG1-CE2 4.25Å; V599-F603 WeakPolarHBondContact O-CB 3.49Å; V599-F603 VanDerWaalsContact O-CD2 3.3Å; V599-F603 WeakPolarHBondContact O-CD2 3.15Å; V599-F603 PolarHBondContact O-N 2.65Å; V599-F603 VanDerWaalsContact O-N 3.12Å; F603-P605 WeakPolarHBondContact O-CD 3.31Å; F603-F610 HydrophobicContact CD1-CB 4.22Å; F603-F610 AromaticContact CD1-CD2 3.85Å; F603-F610 HydrophobicContact CD1-CD2 3.85Å; F603-F610 HydrophobicContact CD1-CE2 4.44Å; F603-F610 HydrophobicContact CD1-CG 4.01Å; F603-F610 HydrophobicContact CE1-CD1 4.22Å; F603-F610 AromaticContact CE1-CD2 3.84Å; F603-F610 HydrophobicContact CE1-CD2 3.84Å; F603-F610 HydrophobicContact CE1-CE1 4.41Å; F603-F610 HydrophobicContact CE1-CE2 4.04Å; F603-F610 AromaticContact CE1-CG 3.94Å; F603-F610 HydrophobicContact CE1-CG 3.94Å; F603-F610 HydrophobicContact CE1-CZ 4.33Å; F603-F610 HydrophobicContact CG-CD2 4.49Å; F603-F610 HydrophobicContact CZ-CD2 4.45Å; F603-F610 HydrophobicContact CZ-CE2 4.24Å; F603-F610 HydrophobicContact CZ-CZ 4.46Å; F603-F619 HydrophobicContact CB-CD1 4.49Å; F603-F619 HydrophobicContact CB-CE1 3.96Å; F603-F619 HydrophobicContact CB-CE2 4.41Å; F603-F619 HydrophobicContact CB-CZ 3.93Å; F603-F619 HydrophobicContact CD1-CB 3.99Å; F603-F619 AromaticContact CD1-CD1 3.69Å; F603-F619 HydrophobicContact CD1-CD1 3.69Å; F603-F619 AromaticContact CD1-CD2 3.74Å; F603-F619 HydrophobicContact CD1-CD2 3.74Å; F603-F619 HydrophobicContact CD1-CE1 4Å; F603-F619 HydrophobicContact CD1-CE2 4.06Å; F603-F619 AromaticContact CD1-CG 3.53Å; F603-F619 HydrophobicContact CD1-CG 3.53Å; F603-F619 HydrophobicContact CD1-CZ 4.18Å; F603-F619 HydrophobicContact CE1-CB 3.96Å; F603-F619 HydrophobicContact CE1-CD1 4.5Å; F603-F619 HydrophobicContact CE1-CD2 4.13Å; F603-F619 AromaticContact CE1-CG 3.96Å; F603-F619 HydrophobicContact CE1-CG 3.96Å; F603-F619 HydrophobicContact CG-CE1 4.47Å; F603-F619 HydrophobicContact CG-CE2 4.49Å; F603-F619 HydrophobicContact CG-CZ 4.43Å; F603-I635 HydrophobicContact CE2-CD1 4.08Å; F603-I635 HydrophobicContact CE2-CG1 4.23Å; F603-V651 HydrophobicContact CD2-CG1 4.34Å; F603-V651 HydrophobicContact CE2-CB 4.44Å; F603-V651 HydrophobicContact CE2-CG1 3.52Å; F603-V651 HydrophobicContact CZ-CB 4.23Å; F603-V651 HydrophobicContact CZ-CG1 3.77Å; F603-F653 AromaticContact CE1-CE1 3.8Å; F603-F653 HydrophobicContact CE1-CE1 3.8Å; F603-F653 HydrophobicContact CE1-CE2 4.42Å; F603-F653 AromaticContact CE1-CZ 3.61Å; F603-F653 HydrophobicContact CE1-CZ 3.61Å; F603-F653 HydrophobicContact CZ-CE1 4.14Å; F603-F653 AromaticContact CZ-CE2 3.99Å; F603-F653 HydrophobicContact CZ-CE2 3.99Å; F603-F653 AromaticContact CZ-CZ 3.45Å; F603-F653 HydrophobicContact CZ-CZ 3.45Å; F603-F653 VanDerWaalsContact CZ-CZ 3.45Å
604	N	86.5	Confident	87.1	Confident	62 Å²	62	53.2 Å²	53.2	33%	0.332	28%	0.275	S	S	.	.			trans	-64.2	126.1	169.9	-178.7	-6.1	0	0	0	110	E600 E601 D606 I607	E600-N604 PolarHBondContact O-N 3.43Å; E601-N604 WeakPolarHBondContact O-CB 3.48Å; E601-N604 PolarHBondContact O-N 2.91Å; N604-D606 PolarHBondContact ND2-OD2 3.28Å; N604-D606 PolarHBondContact O-N 2.74Å; N604-D606 PolarHBondContact OD1-N 2.65Å; N604-D606 PolarHBondContact OD1-OD2 2.95Å; N604-I607 VanDerWaalsContact O-CG2 3.29Å; N604-I607 WeakPolarHBondContact O-CG2 3.27Å; N604-I607 PolarHBondContact O-N 3.1Å; N604-I607 VanDerWaalsContact O-N 3.1Å
605	P	84.4	Confident	86.8	Confident	99 Å²	99	61.5 Å²	61.5	64%	0.643	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-50.1	-27.7	173.1	-29.7	36.7	0	0	0	115.3	F603 I607 G608	F603-P605 WeakPolarHBondContact O-CD 3.31Å; P605-I607 VanDerWaalsContact C-N 3.3Å; P605-I607 PolarHBondContact O-N 3.49Å; P605-G608 PolarHBondContact O-N 2.83Å; P605-G608 VanDerWaalsContact O-N 3.15Å
606	D	83.5	Confident	86.5	Confident	145 Å²	145	63.2 Å²	63.2	78%	0.775	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-61.9	-31.8	178.9	-64.3	-34	0	0	0	113.5	N604 G608	N604-D606 PolarHBondContact ND2-OD2 3.28Å; N604-D606 PolarHBondContact O-N 2.74Å; N604-D606 PolarHBondContact OD1-N 2.65Å; N604-D606 PolarHBondContact OD1-OD2 2.95Å; D606-G608 VanDerWaalsContact C-N 3.33Å
607	I	84.3	Confident	86.6	Confident	34 Å²	34	68.8 Å²	68.8	17%	0.174	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-80.6	-15.9	178.5	-152.1	175.9	0	0	0	112.2	I602 N604 P605 M609 E627	I602-I607 HydrophobicContact CD1-CD1 4.31Å; I602-I607 VanDerWaalsContact O-CG2 3.29Å; I602-I607 WeakPolarHBondContact O-CG2 3.48Å; N604-I607 VanDerWaalsContact O-CG2 3.29Å; N604-I607 WeakPolarHBondContact O-CG2 3.27Å; N604-I607 PolarHBondContact O-N 3.1Å; N604-I607 VanDerWaalsContact O-N 3.1Å; P605-I607 VanDerWaalsContact C-N 3.3Å; P605-I607 PolarHBondContact O-N 3.49Å; I607-M609 HydrophobicContact CD1-SD 3.97Å; I607-M609 HydrophobicContact CG1-CG 4.42Å; I607-M609 HydrophobicContact CG1-SD 4.46Å; I607-M609 HydrophobicContact CG2-CB 4.03Å; I607-M609 HydrophobicContact CG2-CG 4.01Å; I607-M609 HydrophobicContact CG2-SD 4.36Å; I607-M609 PolarHBondContact O-N 3.22Å; I607-E627 HydrophobicContact CG1-CG 4.27Å; I607-E627 WeakPolarHBondContact O-CG 3.46Å
608	G	85.4	Confident	86.7	Confident	23 Å²	23	68 Å²	68	24%	0.237	34%	0.339	C	S	.	.			trans	63.5	11.4	175	0	0	0	0	0	116.2	P605 D606 N622	P605-G608 PolarHBondContact O-N 2.83Å; P605-G608 VanDerWaalsContact O-N 3.15Å; D606-G608 VanDerWaalsContact C-N 3.33Å; G608-N622 VanDerWaalsContact O-CB 3.26Å; G608-N622 WeakPolarHBondContact O-CB 3.09Å; G608-N622 PolarHBondContact O-ND2 3.35Å
609	M	89.4	Confident	86.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-72.3	-36.2	179.4	-74.8	179.2	66.7	0	0	113.5	I602 I607 N622 E627 Q631 Y632 I635	I602-M609 HydrophobicContact CD1-CE 4.24Å; I602-M609 HydrophobicContact CD1-SD 3.72Å; I602-M609 HydrophobicContact CG2-CE 4.24Å; I602-M609 HydrophobicContact CG2-SD 4.27Å; I607-M609 HydrophobicContact CD1-SD 3.97Å; I607-M609 HydrophobicContact CG1-CG 4.42Å; I607-M609 HydrophobicContact CG1-SD 4.46Å; I607-M609 HydrophobicContact CG2-CB 4.03Å; I607-M609 HydrophobicContact CG2-CG 4.01Å; I607-M609 HydrophobicContact CG2-SD 4.36Å; I607-M609 PolarHBondContact O-N 3.22Å; M609-N622 WeakPolarHBondContact O-CB 3.42Å; M609-N622 PolarHBondContact O-N 3.08Å; M609-E627 HydrophobicContact CG-CB 4.01Å; M609-E627 HydrophobicContact CG-CG 4.03Å; M609-Q631 HydrophobicContact CE-CB 3.6Å; M609-Q631 HydrophobicContact SD-CB 3.52Å; M609-Q631 VanDerWaalsContact SD-CB 3.52Å; M609-Q631 HydrophobicContact SD-CG 4.37Å; M609-Y632 VanDerWaalsContact CA-OH 3.29Å; M609-Y632 WeakPolarHBondContact CA-OH 3.32Å; M609-Y632 HydrophobicContact CB-CE1 4.18Å; M609-Y632 HydrophobicContact CE-CD1 3.6Å; M609-Y632 HydrophobicContact CE-CD2 3.99Å; M609-Y632 HydrophobicContact CE-CE1 3.69Å; M609-Y632 HydrophobicContact CE-CE2 4.08Å; M609-Y632 HydrophobicContact CE-CG 3.76Å; M609-Y632 HydrophobicContact CG-CE2 4.4Å; M609-Y632 PolarHBondContact O-OH 2.83Å; M609-I635 HydrophobicContact CE-CG2 4.43Å
610	F	91.5	Very high	87	Confident	10 Å²	10	70.8 Å²	70.8	4%	0.044	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	144	-179.2	-63.8	-83.5	0	0	0	110.4	I602 F603 F619 W620 F621 Y632 I635 F653	I602-F610 HydrophobicContact CG2-CD2 4.15Å; I602-F610 HydrophobicContact CG2-CE2 3.69Å; F603-F610 HydrophobicContact CD1-CB 4.22Å; F603-F610 AromaticContact CD1-CD2 3.85Å; F603-F610 HydrophobicContact CD1-CD2 3.85Å; F603-F610 HydrophobicContact CD1-CE2 4.44Å; F603-F610 HydrophobicContact CD1-CG 4.01Å; F603-F610 HydrophobicContact CE1-CD1 4.22Å; F603-F610 AromaticContact CE1-CD2 3.84Å; F603-F610 HydrophobicContact CE1-CD2 3.84Å; F603-F610 HydrophobicContact CE1-CE1 4.41Å; F603-F610 HydrophobicContact CE1-CE2 4.04Å; F603-F610 AromaticContact CE1-CG 3.94Å; F603-F610 HydrophobicContact CE1-CG 3.94Å; F603-F610 HydrophobicContact CE1-CZ 4.33Å; F603-F610 HydrophobicContact CG-CD2 4.49Å; F603-F610 HydrophobicContact CZ-CD2 4.45Å; F603-F610 HydrophobicContact CZ-CE2 4.24Å; F603-F610 HydrophobicContact CZ-CZ 4.46Å; F610-F619 HydrophobicContact CB-CB 4.3Å; F610-F619 HydrophobicContact CB-CD1 4.12Å; F610-W620 CarbonylContact C-O 3.57Å; F610-W620 WeakPolarHBondContact CA-O 3.04Å; F610-W620 WeakPolarHBondContact CB-O 3.48Å; F610-W620 WeakPolarHBondContact CD1-O 3.48Å; F610-F621 HydrophobicContact CD1-CD1 4.47Å; F610-F621 HydrophobicContact CD1-CG 4.46Å; F610-F621 AromaticContact CE1-CD1 3.7Å; F610-F621 HydrophobicContact CE1-CD1 3.7Å; F610-F621 HydrophobicContact CE1-CD2 4.29Å; F610-F621 AromaticContact CE1-CE1 3.65Å; F610-F621 HydrophobicContact CE1-CE1 3.65Å; F610-F621 HydrophobicContact CE1-CE2 4.23Å; F610-F621 HydrophobicContact CE1-CG 4.01Å; F610-F621 AromaticContact CE1-CZ 3.92Å; F610-F621 HydrophobicContact CE1-CZ 3.92Å; F610-F621 HydrophobicContact CZ-CD1 4.32Å; F610-F621 HydrophobicContact CZ-CE1 4.04Å; F610-F621 HydrophobicContact CZ-CZ 4.48Å; F610-Y632 HydrophobicContact CE2-CE1 4.42Å; F610-Y632 HydrophobicContact CZ-CD1 4.34Å; F610-Y632 HydrophobicContact CZ-CE1 4.15Å; F610-I635 HydrophobicContact CZ-CG2 4.45Å; F610-F653 AromaticContact CD1-CE1 3.96Å; F610-F653 HydrophobicContact CD1-CE1 3.96Å; F610-F653 AromaticContact CE1-CE1 3.66Å; F610-F653 HydrophobicContact CE1-CE1 3.66Å; F610-F653 AromaticContact CE1-CZ 3.9Å; F610-F653 HydrophobicContact CE1-CZ 3.9Å; F610-F653 HydrophobicContact CZ-CE1 4.38Å; F610-F653 HydrophobicContact CZ-CZ 4.18Å
611	T	88.9	Confident	87.2	Confident	67 Å²	67	64 Å²	64	41%	0.411	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	142.2	168.3	54.9	0	0	0	0	109.4	F619 W620 N622	T611-F619 CarbonylContact O-C 3.15Å; T611-F619 VanDerWaalsContact O-CA 3.25Å; T611-F619 WeakPolarHBondContact O-CA 3.3Å; T611-W620 PolarHBondContact N-O 2.91Å; T611-W620 PolarHBondContact O-N 3.04Å; T611-W620 PolarHBondContact OG1-O 3.4Å; T611-N622 HydrophobicContact CG2-CB 4.19Å
612	Y	88.5	Confident	87.3	Confident	112 Å²	112	61.3 Å²	61.3	44%	0.439	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.1	175.6	-176.4	-105.9	0	0	0	109.9	R617 F619	Y612-R617 HydrophobicContact CE2-CB 4.43Å; Y612-R617 WeakPolarHBondContact OH-CA 3.45Å; Y612-R617 WeakPolarHBondContact OH-CB 3.49Å; Y612-F619 AromaticContact CD2-CD1 3.84Å; Y612-F619 HydrophobicContact CD2-CD1 3.84Å; Y612-F619 HydrophobicContact CD2-CD2 4.16Å; Y612-F619 AromaticContact CD2-CE1 3.57Å; Y612-F619 HydrophobicContact CD2-CE1 3.57Å; Y612-F619 AromaticContact CD2-CE2 3.89Å; Y612-F619 HydrophobicContact CD2-CE2 3.89Å; Y612-F619 HydrophobicContact CD2-CG 4.14Å; Y612-F619 AromaticContact CD2-CZ 3.59Å; Y612-F619 HydrophobicContact CD2-CZ 3.59Å; Y612-F619 HydrophobicContact CE2-CE2 4.13Å; Y612-F619 HydrophobicContact CE2-CZ 4.1Å; Y612-F619 HydrophobicContact CG-CD1 4.41Å; Y612-F619 HydrophobicContact CG-CE1 4.08Å; Y612-F619 HydrophobicContact CG-CZ 4.42Å
613	D	85.9	Confident	87	Confident	51 Å²	51	63.3 Å²	63.3	27%	0.273	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	119.2	171.1	169.1	35.9	0	0	0	110.5	H615 T616 R617 L618	D613-H615 PolarHBondContact O-N 3.38Å; D613-H615 WeakPolarHBondContact OD1-CB 3.49Å; D613-H615 IonicContact OD1-CD2 2.83Å; D613-H615 PolarHBondContact OD1-CD2 3.05Å; D613-H615 IonicContact OD1-CG 3.79Å; D613-H615 PolarHBondContact OD1-N 2.96Å; D613-T616 VanDerWaalsContact OD2-CB 3.28Å; D613-T616 WeakPolarHBondContact OD2-CB 3.23Å; D613-T616 VanDerWaalsContact OD2-CG2 3.24Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.29Å; D613-T616 PolarHBondContact OD2-N 3.5Å; D613-T616 PolarHBondContact OD2-OG1 3.21Å; D613-R617 WeakPolarHBondContact O-CA 3.27Å; D613-R617 PolarHBondContact O-N 3.48Å; D613-L618 PolarHBondContact N-O 3.47Å
614	E	83.1	Confident	86.6	Confident	161 Å²	161	63.7 Å²	63.7	75%	0.752	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.4	178.1	-63.8	-170.4	172.1	0	0	113.2
615	H	81.6	Confident	86.3	Confident	173 Å²	173	61.7 Å²	61.7	80%	0.801	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-52.4	-177.2	-65.1	-69.7	0	0	0	112.2	D613	D613-H615 PolarHBondContact O-N 3.38Å; D613-H615 WeakPolarHBondContact OD1-CB 3.49Å; D613-H615 IonicContact OD1-CD2 2.83Å; D613-H615 PolarHBondContact OD1-CD2 3.05Å; D613-H615 IonicContact OD1-CG 3.79Å; D613-H615 PolarHBondContact OD1-N 2.96Å
616	T	82.4	Confident	85.9	Confident	40 Å²	40	64.5 Å²	64.5	25%	0.245	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-22.1	177.2	57.7	0	0	0	0	113.2	D613 L618 P676	D613-T616 VanDerWaalsContact OD2-CB 3.28Å; D613-T616 WeakPolarHBondContact OD2-CB 3.23Å; D613-T616 VanDerWaalsContact OD2-CG2 3.24Å; D613-T616 WeakPolarHBondContact OD2-CG2 3.29Å; D613-T616 PolarHBondContact OD2-N 3.5Å; D613-T616 PolarHBondContact OD2-OG1 3.21Å; T616-L618 VanDerWaalsContact C-N 3.27Å; T616-L618 PolarHBondContact OG1-N 3.15Å; T616-P676 HydrophobicContact CG2-CG 3.58Å
617	R	85.3	Confident	85.7	Confident	174 Å²	174	61 Å²	61	66%	0.657	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	32.1	-169.9	-56.3	-178.2	-179.7	178.6	-1.2	113.4	Y612 D613	Y612-R617 HydrophobicContact CE2-CB 4.43Å; Y612-R617 WeakPolarHBondContact OH-CA 3.45Å; Y612-R617 WeakPolarHBondContact OH-CB 3.49Å; D613-R617 WeakPolarHBondContact O-CA 3.27Å; D613-R617 PolarHBondContact O-N 3.48Å
618	L	89.4	Confident	85.4	Confident	31 Å²	31	64.8 Å²	64.8	16%	0.162	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.4	-179.1	-58.3	177.1	0	0	0	111.2	D613 T616 H652 P654	D613-L618 PolarHBondContact N-O 3.47Å; T616-L618 VanDerWaalsContact C-N 3.27Å; T616-L618 PolarHBondContact OG1-N 3.15Å; L618-H652 HydrophobicContact CD2-CB 4.24Å; L618-P654 HydrophobicContact CD1-CB 3.93Å
619	F	91.1	Very high	85.4	Confident	30 Å²	30	69.3 Å²	69.3	13%	0.132	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.4	171	-66.7	-82.7	0	0	0	111	F603 F610 T611 Y612 H652 F653 P654	F603-F619 HydrophobicContact CB-CD1 4.49Å; F603-F619 HydrophobicContact CB-CE1 3.96Å; F603-F619 HydrophobicContact CB-CE2 4.41Å; F603-F619 HydrophobicContact CB-CZ 3.93Å; F603-F619 HydrophobicContact CD1-CB 3.99Å; F603-F619 AromaticContact CD1-CD1 3.69Å; F603-F619 HydrophobicContact CD1-CD1 3.69Å; F603-F619 AromaticContact CD1-CD2 3.74Å; F603-F619 HydrophobicContact CD1-CD2 3.74Å; F603-F619 HydrophobicContact CD1-CE1 4Å; F603-F619 HydrophobicContact CD1-CE2 4.06Å; F603-F619 AromaticContact CD1-CG 3.53Å; F603-F619 HydrophobicContact CD1-CG 3.53Å; F603-F619 HydrophobicContact CD1-CZ 4.18Å; F603-F619 HydrophobicContact CE1-CB 3.96Å; F603-F619 HydrophobicContact CE1-CD1 4.5Å; F603-F619 HydrophobicContact CE1-CD2 4.13Å; F603-F619 AromaticContact CE1-CG 3.96Å; F603-F619 HydrophobicContact CE1-CG 3.96Å; F603-F619 HydrophobicContact CG-CE1 4.47Å; F603-F619 HydrophobicContact CG-CE2 4.49Å; F603-F619 HydrophobicContact CG-CZ 4.43Å; F610-F619 HydrophobicContact CB-CB 4.3Å; F610-F619 HydrophobicContact CB-CD1 4.12Å; T611-F619 CarbonylContact O-C 3.15Å; T611-F619 VanDerWaalsContact O-CA 3.25Å; T611-F619 WeakPolarHBondContact O-CA 3.3Å; Y612-F619 AromaticContact CD2-CD1 3.84Å; Y612-F619 HydrophobicContact CD2-CD1 3.84Å; Y612-F619 HydrophobicContact CD2-CD2 4.16Å; Y612-F619 AromaticContact CD2-CE1 3.57Å; Y612-F619 HydrophobicContact CD2-CE1 3.57Å; Y612-F619 AromaticContact CD2-CE2 3.89Å; Y612-F619 HydrophobicContact CD2-CE2 3.89Å; Y612-F619 HydrophobicContact CD2-CG 4.14Å; Y612-F619 AromaticContact CD2-CZ 3.59Å; Y612-F619 HydrophobicContact CD2-CZ 3.59Å; Y612-F619 HydrophobicContact CE2-CE2 4.13Å; Y612-F619 HydrophobicContact CE2-CZ 4.1Å; Y612-F619 HydrophobicContact CG-CD1 4.41Å; Y612-F619 HydrophobicContact CG-CE1 4.08Å; Y612-F619 HydrophobicContact CG-CZ 4.42Å; F619-H652 HydrophobicContact CD2-CB 4.09Å; F619-H652 HydrophobicContact CE2-CB 4.44Å; F619-H652 PolarHBondContact N-O 3.48Å; F619-F653 HydrophobicContact CB-CD1 4.33Å; F619-F653 HydrophobicContact CB-CE1 4.26Å; F619-F653 WeakPolarHBondContact O-CD1 3.5Å; F619-P654 VanDerWaalsContact O-CD 3.26Å; F619-P654 WeakPolarHBondContact O-CD 3.4Å
620	W	92.5	Very high	85.2	Confident	41 Å²	41	69.9 Å²	69.9	16%	0.155	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	155.6	172.1	-176.5	-110.6	0	0	0	111.1	F610 T611 N622 P654 V656 V657 L742 V746	F610-W620 CarbonylContact C-O 3.57Å; F610-W620 WeakPolarHBondContact CA-O 3.04Å; F610-W620 WeakPolarHBondContact CB-O 3.48Å; F610-W620 WeakPolarHBondContact CD1-O 3.48Å; T611-W620 PolarHBondContact N-O 2.91Å; T611-W620 PolarHBondContact O-N 3.04Å; T611-W620 PolarHBondContact OG1-O 3.4Å; W620-N622 PolarHBondContact O-N 3Å; W620-P654 HydrophobicContact CE3-CG 3.93Å; W620-P654 HydrophobicContact CZ3-CG 4.28Å; W620-V656 HydrophobicContact CH2-CG1 4.16Å; W620-V656 HydrophobicContact CZ3-CG1 3.61Å; W620-V657 HydrophobicContact CE3-CG2 4.32Å; W620-V657 HydrophobicContact CZ3-CG2 3.92Å; W620-L742 HydrophobicContact CH2-CD2 3.81Å; W620-L742 HydrophobicContact CZ2-CD2 4.09Å; W620-L742 HydrophobicContact CZ3-CD2 4.42Å; W620-V746 HydrophobicContact CH2-CG2 4.35Å; W620-V746 HydrophobicContact CZ2-CG1 4.13Å; W620-V746 HydrophobicContact CZ2-CG2 3.81Å
621	F	91.9	Very high	85.1	Confident	1 Å²	1	70.3 Å²	70.3	0%	0.004	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.3	179.5	-68.3	-98.2	0	0	0	110.6	F610 S623 Y632 V657 V746 Q749 F750 F753	F610-F621 HydrophobicContact CD1-CD1 4.47Å; F610-F621 HydrophobicContact CD1-CG 4.46Å; F610-F621 AromaticContact CE1-CD1 3.7Å; F610-F621 HydrophobicContact CE1-CD1 3.7Å; F610-F621 HydrophobicContact CE1-CD2 4.29Å; F610-F621 AromaticContact CE1-CE1 3.65Å; F610-F621 HydrophobicContact CE1-CE1 3.65Å; F610-F621 HydrophobicContact CE1-CE2 4.23Å; F610-F621 HydrophobicContact CE1-CG 4.01Å; F610-F621 AromaticContact CE1-CZ 3.92Å; F610-F621 HydrophobicContact CE1-CZ 3.92Å; F610-F621 HydrophobicContact CZ-CD1 4.32Å; F610-F621 HydrophobicContact CZ-CE1 4.04Å; F610-F621 HydrophobicContact CZ-CZ 4.48Å; F621-S623 PolarHBondContact O-N 3.4Å; F621-Y632 HydrophobicContact CD1-CD1 4.12Å; F621-Y632 AromaticContact CD1-CE1 3.86Å; F621-Y632 HydrophobicContact CD1-CE1 3.86Å; F621-Y632 HydrophobicContact CE1-CD1 4.13Å; F621-Y632 HydrophobicContact CE1-CE1 4.3Å; F621-V657 HydrophobicContact CE2-CG1 4.13Å; F621-V657 HydrophobicContact CE2-CG2 4.04Å; F621-V746 HydrophobicContact CB-CB 3.88Å; F621-V746 HydrophobicContact CB-CG1 3.7Å; F621-Q749 HydrophobicContact CD1-CB 4.1Å; F621-F750 HydrophobicContact CD2-CD2 4.41Å; F621-F750 HydrophobicContact CE1-CD2 4.23Å; F621-F750 AromaticContact CE2-CD2 3.75Å; F621-F750 HydrophobicContact CE2-CD2 3.75Å; F621-F750 HydrophobicContact CE2-CE2 4.24Å; F621-F750 AromaticContact CZ-CD2 3.65Å; F621-F750 HydrophobicContact CZ-CD2 3.65Å; F621-F750 HydrophobicContact CZ-CE2 4.15Å; F621-F753 HydrophobicContact CE1-CB 3.95Å; F621-F753 HydrophobicContact CE1-CD1 4.19Å; F621-F753 HydrophobicContact CE1-CD2 4.28Å; F621-F753 AromaticContact CE1-CG 3.91Å; F621-F753 HydrophobicContact CE1-CG 3.91Å; F621-F753 HydrophobicContact CZ-CB 4.3Å; F621-F753 AromaticContact CZ-CD1 3.66Å; F621-F753 HydrophobicContact CZ-CD1 3.66Å; F621-F753 HydrophobicContact CZ-CD2 4.25Å; F621-F753 AromaticContact CZ-CE1 3.89Å; F621-F753 HydrophobicContact CZ-CE1 3.89Å; F621-F753 HydrophobicContact CZ-CE2 4.46Å; F621-F753 AromaticContact CZ-CG 3.83Å; F621-F753 HydrophobicContact CZ-CG 3.83Å; F621-F753 HydrophobicContact CZ-CZ 4.28Å
622	N	88.8	Confident	85.2	Confident	18 Å²	18	67.3 Å²	67.3	10%	0.096	32%	0.32	C	S	.	.			trans	-76.9	114	175	-176.4	7.4	0	0	0	110.8	G608 M609 T611 W620 S624 S625 Q749	G608-N622 VanDerWaalsContact O-CB 3.26Å; G608-N622 WeakPolarHBondContact O-CB 3.09Å; G608-N622 PolarHBondContact O-ND2 3.35Å; M609-N622 WeakPolarHBondContact O-CB 3.42Å; M609-N622 PolarHBondContact O-N 3.08Å; T611-N622 HydrophobicContact CG2-CB 4.19Å; W620-N622 PolarHBondContact O-N 3Å; N622-S624 VanDerWaalsContact C-N 3.26Å; N622-S624 PolarHBondContact O-N 3.43Å; N622-S624 PolarHBondContact OD1-N 3.14Å; N622-S625 WeakPolarHBondContact O-CB 3.45Å; N622-S625 PolarHBondContact O-N 3.08Å; N622-Q749 PolarHBondContact O-NE2 3.27Å
623	S	83.9	Confident	85.3	Confident	42 Å²	42	62 Å²	62	29%	0.294	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-31.7	177.1	50.5	0	0	0	0	113.1	F621 S745 Q749	F621-S623 PolarHBondContact O-N 3.4Å; S623-S745 WeakPolarHBondContact CA-O 3.27Å; S623-S745 WeakPolarHBondContact CB-O 3.41Å; S623-Q749 PolarHBondContact O-NE2 3.44Å
624	S	80.7	Confident	85.4	Confident	23 Å²	23	59.8 Å²	59.8	16%	0.161	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	22.6	177.6	-65.6	0	0	0	0	113.3	N622 F626 D706 P707	N622-S624 VanDerWaalsContact C-N 3.26Å; N622-S624 PolarHBondContact O-N 3.43Å; N622-S624 PolarHBondContact OD1-N 3.14Å; S624-F626 WeakPolarHBondContact O-CD2 3.33Å; S624-F626 WeakPolarHBondContact O-CE2 3.21Å; S624-F626 PolarHBondContact O-N 3.46Å; S624-D706 VanDerWaalsContact CB-OD1 3.23Å; S624-D706 WeakPolarHBondContact CB-OD1 3.16Å; S624-D706 PolarHBondContact OG-OD1 3.37Å; S624-P707 VanDerWaalsContact CB-CD 3.43Å
625	S	80.6	Confident	85.8	Confident	20 Å²	20	52.1 Å²	52.1	14%	0.14	25%	0.252	C	S	.	.			trans	-60.5	130.3	175.8	-173.2	0	0	0	0	111.2	N622 E627 Y632	N622-S625 WeakPolarHBondContact O-CB 3.45Å; N622-S625 PolarHBondContact O-N 3.08Å; S625-E627 VanDerWaalsContact C-N 3.35Å; S625-E627 PolarHBondContact OG-N 3.38Å; S625-Y632 WeakPolarHBondContact CB-OH 3.37Å; S625-Y632 PolarHBondContact OG-OH 2.81Å; S625-Y632 VanDerWaalsContact OG-OH 3.08Å
626	F	74.3	Confident	86.3	Confident	159 Å²	159	43.9 Å²	43.9	70%	0.697	21%	0.214	S	C	*	.			trans	-88.3	-5.8	174.9	-65.6	-80.1	0	0	0	112.9	S624 F708	S624-F626 WeakPolarHBondContact O-CD2 3.33Å; S624-F626 WeakPolarHBondContact O-CE2 3.21Å; S624-F626 PolarHBondContact O-N 3.46Å; F626-F708 AromaticContact CE2-CE2 3.63Å; F626-F708 HydrophobicContact CE2-CE2 3.63Å; F626-F708 HydrophobicContact CE2-CZ 4.08Å; F626-F708 AromaticContact CZ-CE2 3.77Å; F626-F708 HydrophobicContact CZ-CE2 3.77Å
627	E	79.1	Confident	86.7	Confident	72 Å²	72	42.2 Å²	42.2	34%	0.336	20%	0.203	S	C	.	.	S	Bend	trans	-76.1	157.8	-179.8	-69	-54.5	141.3	0	0	113	I607 M609 S625 Q631	I607-E627 HydrophobicContact CG1-CG 4.27Å; I607-E627 WeakPolarHBondContact O-CG 3.46Å; M609-E627 HydrophobicContact CG-CB 4.01Å; M609-E627 HydrophobicContact CG-CG 4.03Å; S625-E627 VanDerWaalsContact C-N 3.35Å; S625-E627 PolarHBondContact OG-N 3.38Å; E627-Q631 PolarHBondContact OE2-NE2 3.22Å
628	N	78	Confident	87	Confident	113 Å²	113	33.9 Å²	33.9	60%	0.604	17%	0.172	S	C	*	.			trans	-76.1	160.2	-175.5	-60.9	-56.6	0	0	0	112	G630 Q631	N628-G630 PolarHBondContact O-N 3.25Å; N628-G630 VanDerWaalsContact O-N 3.1Å; N628-Q631 PolarHBondContact O-N 2.75Å; N628-Q631 PolarHBondContact O-OE1 3.41Å; N628-Q631 VanDerWaalsContact O-OE1 3.08Å
629	E	85.6	Confident	87.1	Confident	117 Å²	117	32.4 Å²	32.4	55%	0.547	16%	0.164	S	C	.	.	H	α-helix	trans	-60.1	-19.9	172	-64.4	178.1	-167	0	0	112.7	T633 A752	E629-T633 PolarHBondContact O-N 3.49Å; E629-T633 PolarHBondContact O-OG1 3.23Å; E629-A752 HydrophobicContact CB-CB 3.93Å; E629-A752 HydrophobicContact CG-CB 4.41Å; E629-A752 WeakPolarHBondContact O-CB 3.42Å
630	G	86.1	Confident	87	Confident	12 Å²	12	31 Å²	31	12%	0.124	16%	0.158	C	C	.	.	H	α-helix	trans	-60.5	-48.9	177	0	0	0	0	0	113.2	L557 N628 Y632 T633 L634	L557-G630 VanDerWaalsContact CD1-C 3.48Å; N628-G630 PolarHBondContact O-N 3.25Å; N628-G630 VanDerWaalsContact O-N 3.1Å; G630-Y632 PolarHBondContact O-N 3.42Å; G630-T633 CarbonylContact O-C 3.58Å; G630-T633 WeakPolarHBondContact O-CA 3.26Å; G630-T633 VanDerWaalsContact O-CB 3.3Å; G630-T633 WeakPolarHBondContact O-CB 3.38Å; G630-T633 PolarHBondContact O-N 3.17Å; G630-T633 VanDerWaalsContact O-N 3.1Å; G630-L634 PolarHBondContact O-N 2.96Å
631	Q	88.7	Confident	86.8	Confident	20 Å²	20	29.1 Å²	29.1	9%	0.093	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-36.4	-179.7	-64.1	99.4	-39	0	0	112.4	I553 L557 I602 M609 E627 N628 T633 L634 I635	I553-Q631 HydrophobicContact CG2-CG 3.98Å; L557-Q631 HydrophobicContact CD1-CG 4.2Å; I602-Q631 HydrophobicContact CD1-CB 4.25Å; M609-Q631 HydrophobicContact CE-CB 3.6Å; M609-Q631 HydrophobicContact SD-CB 3.52Å; M609-Q631 VanDerWaalsContact SD-CB 3.52Å; M609-Q631 HydrophobicContact SD-CG 4.37Å; E627-Q631 PolarHBondContact OE2-NE2 3.22Å; N628-Q631 PolarHBondContact O-N 2.75Å; N628-Q631 PolarHBondContact O-OE1 3.41Å; N628-Q631 VanDerWaalsContact O-OE1 3.08Å; Q631-T633 VanDerWaalsContact C-N 3.3Å; Q631-T633 PolarHBondContact O-N 3.24Å; Q631-L634 WeakPolarHBondContact O-CB 3.24Å; Q631-L634 PolarHBondContact O-N 2.93Å; Q631-I635 WeakPolarHBondContact O-CG2 3.33Å; Q631-I635 PolarHBondContact O-N 3.33Å
632	Y	91.3	Very high	86.7	Confident	3 Å²	3	29 Å²	29	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-62.9	-38.7	171.6	-71.2	-74.8	0	0	0	111.7	M609 F610 F621 S625 G630 I635 G636 Q749 F753	M609-Y632 VanDerWaalsContact CA-OH 3.29Å; M609-Y632 WeakPolarHBondContact CA-OH 3.32Å; M609-Y632 HydrophobicContact CB-CE1 4.18Å; M609-Y632 HydrophobicContact CE-CD1 3.6Å; M609-Y632 HydrophobicContact CE-CD2 3.99Å; M609-Y632 HydrophobicContact CE-CE1 3.69Å; M609-Y632 HydrophobicContact CE-CE2 4.08Å; M609-Y632 HydrophobicContact CE-CG 3.76Å; M609-Y632 HydrophobicContact CG-CE2 4.4Å; M609-Y632 PolarHBondContact O-OH 2.83Å; F610-Y632 HydrophobicContact CE2-CE1 4.42Å; F610-Y632 HydrophobicContact CZ-CD1 4.34Å; F610-Y632 HydrophobicContact CZ-CE1 4.15Å; F621-Y632 HydrophobicContact CD1-CD1 4.12Å; F621-Y632 AromaticContact CD1-CE1 3.86Å; F621-Y632 HydrophobicContact CD1-CE1 3.86Å; F621-Y632 HydrophobicContact CE1-CD1 4.13Å; F621-Y632 HydrophobicContact CE1-CE1 4.3Å; S625-Y632 WeakPolarHBondContact CB-OH 3.37Å; S625-Y632 PolarHBondContact OG-OH 2.81Å; S625-Y632 VanDerWaalsContact OG-OH 3.08Å; G630-Y632 PolarHBondContact O-N 3.42Å; Y632-I635 WeakPolarHBondContact O-CG2 2.95Å; Y632-G636 PolarHBondContact O-N 3.3Å; Y632-G636 VanDerWaalsContact O-N 3.14Å; Y632-Q749 HydrophobicContact CD1-CB 4.04Å; Y632-Q749 HydrophobicContact CD2-CB 4.13Å; Y632-Q749 HydrophobicContact CD2-CG 4.18Å; Y632-Q749 HydrophobicContact CE1-CB 3.84Å; Y632-Q749 HydrophobicContact CE1-CG 4.2Å; Y632-Q749 HydrophobicContact CE2-CB 3.92Å; Y632-Q749 HydrophobicContact CE2-CG 3.58Å; Y632-Q749 HydrophobicContact CG-CB 4.19Å; Y632-F753 WeakPolarHBondContact O-CA 3.37Å
633	T	90.4	Very high	86.6	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.012	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-45.1	173	-49.3	0	0	0	0	111	E629 G630 Q631 G636 I637 R755 G756 M759	E629-T633 PolarHBondContact O-N 3.49Å; E629-T633 PolarHBondContact O-OG1 3.23Å; G630-T633 CarbonylContact O-C 3.58Å; G630-T633 WeakPolarHBondContact O-CA 3.26Å; G630-T633 VanDerWaalsContact O-CB 3.3Å; G630-T633 WeakPolarHBondContact O-CB 3.38Å; G630-T633 PolarHBondContact O-N 3.17Å; G630-T633 VanDerWaalsContact O-N 3.1Å; Q631-T633 VanDerWaalsContact C-N 3.3Å; Q631-T633 PolarHBondContact O-N 3.24Å; T633-G636 PolarHBondContact O-N 3.06Å; T633-I637 HydrophobicContact CG2-CD1 4.16Å; T633-I637 WeakPolarHBondContact O-CG1 3.31Å; T633-I637 PolarHBondContact O-N 3.37Å; T633-R755 PolarHBondContact OG1-NH1 3.1Å; T633-R755 PolarHBondContact OG1-NH2 2.76Å; T633-G756 WeakPolarHBondContact O-CA 3.32Å; T633-M759 HydrophobicContact CG2-SD 4.24Å
634	L	89.4	Confident	86.4	Confident	3 Å²	3	26.7 Å²	26.7	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-52.8	178.9	174.4	66.3	0	0	0	111.9	I553 A556 L557 L560 G630 Q631 G636 I637 V638	I553-L634 HydrophobicContact CB-CD2 4.37Å; I553-L634 HydrophobicContact CD1-CD2 3.95Å; I553-L634 HydrophobicContact CG2-CD2 3.83Å; A556-L634 HydrophobicContact CB-CD1 3.94Å; A556-L634 HydrophobicContact CB-CD2 4.45Å; L557-L634 HydrophobicContact CB-CD2 4.37Å; L560-L634 HydrophobicContact CD1-CD1 3.5Å; L560-L634 VanDerWaalsContact CD1-CD1 3.5Å; G630-L634 PolarHBondContact O-N 2.96Å; Q631-L634 WeakPolarHBondContact O-CB 3.24Å; Q631-L634 PolarHBondContact O-N 2.93Å; L634-G636 VanDerWaalsContact C-N 3.26Å; L634-G636 PolarHBondContact O-N 2.76Å; L634-I637 PolarHBondContact O-N 3.37Å; L634-I637 VanDerWaalsContact O-N 3.12Å; L634-V638 HydrophobicContact CD1-CG2 4.3Å; L634-V638 WeakPolarHBondContact O-CG2 3.22Å; L634-V638 PolarHBondContact O-N 3.29Å
635	I	91.6	Very high	86.3	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-31.3	-179.3	-173.7	60.6	0	0	0	111.7	V599 I602 F603 M609 F610 Q631 Y632 V638 L639 F753	V599-I635 HydrophobicContact CG2-CD1 4.47Å; I602-I635 HydrophobicContact CG2-CB 4.05Å; I602-I635 HydrophobicContact CG2-CD1 4.37Å; I602-I635 HydrophobicContact CG2-CG1 3.99Å; I602-I635 HydrophobicContact CG2-CG2 4.27Å; F603-I635 HydrophobicContact CE2-CD1 4.08Å; F603-I635 HydrophobicContact CE2-CG1 4.23Å; M609-I635 HydrophobicContact CE-CG2 4.43Å; F610-I635 HydrophobicContact CZ-CG2 4.45Å; Q631-I635 WeakPolarHBondContact O-CG2 3.33Å; Q631-I635 PolarHBondContact O-N 3.33Å; Y632-I635 WeakPolarHBondContact O-CG2 2.95Å; I635-V638 HydrophobicContact CD1-CB 4.29Å; I635-V638 HydrophobicContact CD1-CG1 4.06Å; I635-V638 PolarHBondContact O-N 3.44Å; I635-L639 HydrophobicContact CD1-CD1 3.81Å; I635-L639 HydrophobicContact CG1-CD1 4.05Å; I635-L639 WeakPolarHBondContact O-CD1 3.44Å; I635-L639 PolarHBondContact O-N 3.41Å; I635-F753 HydrophobicContact CG2-CD2 3.89Å; I635-F753 HydrophobicContact CG2-CE2 4.15Å
636	G	92.2	Very high	86.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-50.2	168.3	0	0	0	0	0	112.9	Y632 T633 L634 V638 L639 G640 F753 G756 F757	Y632-G636 PolarHBondContact O-N 3.3Å; Y632-G636 VanDerWaalsContact O-N 3.14Å; T633-G636 PolarHBondContact O-N 3.06Å; L634-G636 VanDerWaalsContact C-N 3.26Å; L634-G636 PolarHBondContact O-N 2.76Å; G636-V638 VanDerWaalsContact C-N 3.3Å; G636-V638 PolarHBondContact O-N 3.3Å; G636-L639 PolarHBondContact O-N 2.98Å; G636-G640 PolarHBondContact O-N 3.28Å; G636-F753 WeakPolarHBondContact CA-O 3.32Å; G636-G756 VanDerWaalsContact C-C 3.41Å; G636-F757 VanDerWaalsContact C-N 3.32Å; G636-F757 VanDerWaalsContact O-CA 3.25Å; G636-F757 WeakPolarHBondContact O-CA 3.46Å; G636-F757 PolarHBondContact O-N 3.44Å
637	I	90.5	Very high	86.7	Confident	5 Å²	5	24 Å²	24	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-42.9	176.4	-66.5	168.5	0	0	0	110.3	L560 T633 L634 L639 G640 L641 G756 M759 V760	L560-I637 HydrophobicContact CB-CD1 4.31Å; L560-I637 HydrophobicContact CD1-CG2 4.01Å; L560-I637 HydrophobicContact CD2-CG2 4.18Å; T633-I637 HydrophobicContact CG2-CD1 4.16Å; T633-I637 WeakPolarHBondContact O-CG1 3.31Å; T633-I637 PolarHBondContact O-N 3.37Å; L634-I637 PolarHBondContact O-N 3.37Å; L634-I637 VanDerWaalsContact O-N 3.12Å; I637-L639 PolarHBondContact O-N 2.71Å; I637-G640 PolarHBondContact O-N 3.01Å; I637-G640 VanDerWaalsContact O-N 3.15Å; I637-L641 HydrophobicContact CG2-CD1 3.81Å; I637-L641 HydrophobicContact CG2-CG 4.07Å; I637-L641 WeakPolarHBondContact O-CG 3.47Å; I637-L641 PolarHBondContact O-N 3.41Å; I637-G756 WeakPolarHBondContact CA-O 3.5Å; I637-G756 VanDerWaalsContact CG1-O 3.29Å; I637-G756 WeakPolarHBondContact CG1-O 3.47Å; I637-G756 PolarHBondContact N-O 3.21Å; I637-M759 HydrophobicContact CD1-CE 4.01Å; I637-M759 HydrophobicContact CD1-SD 4.46Å; I637-V760 HydrophobicContact CB-CG2 4.49Å; I637-V760 HydrophobicContact CG2-CG2 3.96Å
638	V	90.9	Very high	87	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-43.9	179.3	161.6	0	0	0	0	112.3	F595 V598 L634 I635 G636 G640 L641 A642 L649	F595-V638 HydrophobicContact CD1-CG1 3.87Å; F595-V638 HydrophobicContact CE1-CG1 4.22Å; V598-V638 HydrophobicContact CG1-CG1 4.47Å; V598-V638 HydrophobicContact CG1-CG2 4.07Å; L634-V638 HydrophobicContact CD1-CG2 4.3Å; L634-V638 WeakPolarHBondContact O-CG2 3.22Å; L634-V638 PolarHBondContact O-N 3.29Å; I635-V638 HydrophobicContact CD1-CB 4.29Å; I635-V638 HydrophobicContact CD1-CG1 4.06Å; I635-V638 PolarHBondContact O-N 3.44Å; G636-V638 VanDerWaalsContact C-N 3.3Å; G636-V638 PolarHBondContact O-N 3.3Å; V638-G640 VanDerWaalsContact C-N 3.33Å; V638-G640 PolarHBondContact O-N 3.15Å; V638-L641 PolarHBondContact O-N 3.4Å; V638-A642 WeakPolarHBondContact O-CB 3.5Å; V638-A642 PolarHBondContact O-N 3.12Å; V638-L649 HydrophobicContact CG1-CD1 4.22Å
639	L	91.9	Very high	87.4	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-60.5	-41.8	173.3	-96.9	64.8	0	0	0	111.9	I635 G636 I637 A642 I643 L649 F653 F753 F757 I779	I635-L639 HydrophobicContact CD1-CD1 3.81Å; I635-L639 HydrophobicContact CG1-CD1 4.05Å; I635-L639 WeakPolarHBondContact O-CD1 3.44Å; I635-L639 PolarHBondContact O-N 3.41Å; G636-L639 PolarHBondContact O-N 2.98Å; I637-L639 PolarHBondContact O-N 2.71Å; L639-A642 PolarHBondContact O-N 3.38Å; L639-I643 WeakPolarHBondContact O-CG1 3.42Å; L639-I643 PolarHBondContact O-N 3.2Å; L639-L649 HydrophobicContact CD1-CD1 3.67Å; L639-L649 HydrophobicContact CG-CD1 4.09Å; L639-F653 HydrophobicContact CD2-CE2 4.4Å; L639-F753 HydrophobicContact CD2-CE2 4.08Å; L639-F753 HydrophobicContact CD2-CZ 3.66Å; L639-F757 HydrophobicContact CB-CD2 3.95Å; L639-F757 HydrophobicContact CB-CE2 4.26Å; L639-I779 HydrophobicContact CD2-CD1 4.12Å; L639-I779 HydrophobicContact CG-CD1 4.35Å; L639-I779 HydrophobicContact CG-CG2 4.21Å
640	G	89.4	Confident	87.2	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-62.9	-46.7	175	0	0	0	0	0	112.7	G636 I637 V638 A642 I643 Y644	G636-G640 PolarHBondContact O-N 3.28Å; I637-G640 PolarHBondContact O-N 3.01Å; I637-G640 VanDerWaalsContact O-N 3.15Å; V638-G640 VanDerWaalsContact C-N 3.33Å; V638-G640 PolarHBondContact O-N 3.15Å; G640-A642 VanDerWaalsContact C-N 3.34Å; G640-A642 PolarHBondContact O-N 2.78Å; G640-I643 PolarHBondContact O-N 3.03Å; G640-Y644 WeakPolarHBondContact O-CD2 3.41Å; G640-Y644 PolarHBondContact O-N 3.02Å
641	L	88.1	Confident	87.2	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-64	-37	177.5	-71.3	176.6	0	0	0	112.3	L543 L560 L571 F595 I637 V638 Y644 N645 V760	L543-L641 HydrophobicContact CD2-CD1 4.09Å; L543-L641 HydrophobicContact CD2-CD2 3.66Å; L560-L641 HydrophobicContact CD2-CD1 4.45Å; L571-L641 WeakPolarHBondContact O-CD2 3.44Å; F595-L641 HydrophobicContact CE1-CB 4Å; F595-L641 HydrophobicContact CZ-CB 3.93Å; I637-L641 HydrophobicContact CG2-CD1 3.81Å; I637-L641 HydrophobicContact CG2-CG 4.07Å; I637-L641 WeakPolarHBondContact O-CG 3.47Å; I637-L641 PolarHBondContact O-N 3.41Å; V638-L641 PolarHBondContact O-N 3.4Å; L641-Y644 PolarHBondContact O-N 3.26Å; L641-N645 WeakPolarHBondContact O-CB 3.32Å; L641-N645 PolarHBondContact O-N 3.27Å; L641-N645 PolarHBondContact O-ND2 2.96Å; L641-V760 HydrophobicContact CD2-CG1 4.31Å; L641-V760 HydrophobicContact CD2-CG2 4.49Å; L641-V760 HydrophobicContact CG-CG2 4.37Å
642	A	88.2	Confident	87.1	Confident	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.4	-47.2	177.4	0	0	0	0	0	111.4	F595 V638 L639 G640 Y644 N645 N646 C647 L649	F595-A642 HydrophobicContact CE1-CB 4.48Å; F595-A642 HydrophobicContact CZ-CB 4.47Å; V638-A642 WeakPolarHBondContact O-CB 3.5Å; V638-A642 PolarHBondContact O-N 3.12Å; L639-A642 PolarHBondContact O-N 3.38Å; G640-A642 VanDerWaalsContact C-N 3.34Å; G640-A642 PolarHBondContact O-N 2.78Å; A642-Y644 PolarHBondContact O-N 3.06Å; A642-N645 PolarHBondContact O-N 3.05Å; A642-N646 PolarHBondContact O-N 2.92Å; A642-C647 CarbonylContact C-O 3.56Å; A642-C647 WeakPolarHBondContact CB-O 3.5Å; A642-C647 PolarHBondContact O-N 3.48Å; A642-L649 HydrophobicContact CB-CD1 3.63Å; A642-L649 HydrophobicContact CB-CD2 3.8Å; A642-L649 HydrophobicContact CB-CG 3.6Å
643	I	87	Confident	87.1	Confident	5 Å²	5	15.2 Å²	15.2	3%	0.026	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-46.8	172.5	-63.2	166.4	0	0	0	110.6	L513 L639 G640 N645 N646 F757 L766 L778 I779	L513-I643 HydrophobicContact CD2-CG2 3.66Å; L639-I643 WeakPolarHBondContact O-CG1 3.42Å; L639-I643 PolarHBondContact O-N 3.2Å; G640-I643 PolarHBondContact O-N 3.03Å; I643-N645 VanDerWaalsContact C-N 3.31Å; I643-N645 PolarHBondContact O-N 3.49Å; I643-N646 PolarHBondContact O-N 3.23Å; I643-N646 VanDerWaalsContact O-N 3.16Å; I643-F757 HydrophobicContact CD1-CE2 3.71Å; I643-F757 HydrophobicContact CD1-CZ 3.92Å; I643-L766 HydrophobicContact CD1-CD1 3.97Å; I643-L766 HydrophobicContact CG2-CD1 4.32Å; I643-L778 HydrophobicContact CG1-CB 4.48Å; I643-L778 HydrophobicContact CG2-CD1 4.38Å; I643-I779 HydrophobicContact CD1-CD1 4.11Å; I643-I779 HydrophobicContact CD1-CG1 3.76Å; I643-I779 HydrophobicContact CG1-CG1 3.81Å
644	Y	80.7	Confident	87.2	Confident	6 Å²	6	15.3 Å²	15.3	2%	0.024	8%	0.081	C	C	.	.	H	α-helix	trans	-64.2	-33.1	-177.5	-94.3	-111.9	0	0	0	114	N517 M521 G640 L641 A642 V760 T761	N517-Y644 HydrophobicContact CB-CD1 4.01Å; N517-Y644 HydrophobicContact CB-CE1 4.29Å; N517-Y644 WeakPolarHBondContact ND2-CA 3.48Å; N517-Y644 WeakPolarHBondContact OD1-CD1 3.43Å; N517-Y644 WeakPolarHBondContact OD1-CE1 3.19Å; M521-Y644 HydrophobicContact CE-CD1 4.41Å; G640-Y644 WeakPolarHBondContact O-CD2 3.41Å; G640-Y644 PolarHBondContact O-N 3.02Å; L641-Y644 PolarHBondContact O-N 3.26Å; A642-Y644 PolarHBondContact O-N 3.06Å; Y644-V760 HydrophobicContact CD2-CG1 3.75Å; Y644-V760 HydrophobicContact CE2-CG1 4Å; Y644-V760 HydrophobicContact CG-CG1 4.06Å; Y644-V760 PolarHBondContact OH-O 3.02Å; Y644-T761 HydrophobicContact CE2-CG2 4.37Å
645	N	79.2	Confident	87.3	Confident	46 Å²	46	16.8 Å²	16.8	25%	0.246	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	4.8	178.1	-65.1	-82.6	0	0	0	113	L641 A642 I643 C647	L641-N645 WeakPolarHBondContact O-CB 3.32Å; L641-N645 PolarHBondContact O-N 3.27Å; L641-N645 PolarHBondContact O-ND2 2.96Å; A642-N645 PolarHBondContact O-N 3.05Å; I643-N645 VanDerWaalsContact C-N 3.31Å; I643-N645 PolarHBondContact O-N 3.49Å; N645-C647 PolarHBondContact O-N 3.25Å
646	N	79.3	Confident	87.3	Confident	79 Å²	79	16.8 Å²	16.8	42%	0.422	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	41.7	-176.5	-172	69.1	0	0	0	112.5	N510 A642 I643	N510-N646 PolarHBondContact ND2-OD1 3.01Å; A642-N646 PolarHBondContact O-N 2.92Å; I643-N646 PolarHBondContact O-N 3.23Å; I643-N646 VanDerWaalsContact O-N 3.16Å
647	C	82.3	Confident	87.4	Confident	20 Å²	20	16.9 Å²	16.9	14%	0.135	9%	0.088	C	C	.	.			trans	-105.4	131.2	174.8	-170.2	0	0	0	0	109.4	F595 A642 N645	F595-C647 HydrophobicContact CD2-CB 3.98Å; F595-C647 HydrophobicContact CE2-CB 4Å; A642-C647 CarbonylContact C-O 3.56Å; A642-C647 WeakPolarHBondContact CB-O 3.5Å; A642-C647 PolarHBondContact O-N 3.48Å; N645-C647 PolarHBondContact O-N 3.25Å
648	I	85.3	Confident	87.5	Confident	36 Å²	36	16.7 Å²	16.7	19%	0.185	9%	0.087	C	C	.	.			trans	-84.2	146	173	57.4	178.4	0	0	0	110.8	I779 T832	I648-I779 CarbonylContact C-O 3.48Å; I648-I779 VanDerWaalsContact CA-O 3.28Å; I648-I779 WeakPolarHBondContact CA-O 3.06Å; I648-T832 HydrophobicContact CD1-CG2 3.73Å; I648-T832 HydrophobicContact CG1-CG2 4.24Å
649	L	86.6	Confident	87.4	Confident	5 Å²	5	17 Å²	17	3%	0.026	9%	0.089	C	C	.	.			trans	-116	142.7	179.3	-57	-176.5	0	0	0	109.8	F595 V599 V638 L639 A642 V651 I779 C780	F595-L649 HydrophobicContact CB-CD2 3.67Å; F595-L649 HydrophobicContact CD1-CD2 4.27Å; F595-L649 HydrophobicContact CG-CD2 4Å; V599-L649 HydrophobicContact CG2-CB 4.44Å; V599-L649 HydrophobicContact CG2-CD1 4.46Å; V599-L649 HydrophobicContact CG2-CD2 4.35Å; V638-L649 HydrophobicContact CG1-CD1 4.22Å; L639-L649 HydrophobicContact CD1-CD1 3.67Å; L639-L649 HydrophobicContact CG-CD1 4.09Å; A642-L649 HydrophobicContact CB-CD1 3.63Å; A642-L649 HydrophobicContact CB-CD2 3.8Å; A642-L649 HydrophobicContact CB-CG 3.6Å; L649-V651 HydrophobicContact CB-CG1 4.15Å; L649-V651 HydrophobicContact CB-CG2 4.16Å; L649-V651 PolarHBondContact O-N 2.85Å; L649-I779 HydrophobicContact CB-CG2 4.32Å; L649-I779 HydrophobicContact CD1-CG2 4.33Å; L649-I779 PolarHBondContact N-O 2.86Å; L649-C780 WeakPolarHBondContact O-CA 3.24Å
650	D	83.1	Confident	87.3	Confident	59 Å²	59	17.3 Å²	17.3	32%	0.316	9%	0.09	S	C	.	.			trans	-83.4	48.3	179.1	-158.9	24	0	0	0	112.8	H652	D650-H652 PolarHBondContact O-ND1 3.48Å; D650-H652 IonicContact OD1-CE1 3.17Å; D650-H652 PolarHBondContact OD1-CE1 3.47Å; D650-H652 VanDerWaalsContact OD1-CE1 3.24Å; D650-H652 IonicContact OD1-ND1 3.21Å
651	V	85.8	Confident	87.3	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.093	C	C	.	.			trans	-97.8	142.8	-178.4	-62	0	0	0	0	111.5	V599 F603 L649 F653 I779 C780	V599-V651 HydrophobicContact CG1-CG1 3.84Å; V599-V651 HydrophobicContact CG2-CG1 4.02Å; F603-V651 HydrophobicContact CD2-CG1 4.34Å; F603-V651 HydrophobicContact CE2-CB 4.44Å; F603-V651 HydrophobicContact CE2-CG1 3.52Å; F603-V651 HydrophobicContact CZ-CB 4.23Å; F603-V651 HydrophobicContact CZ-CG1 3.77Å; L649-V651 HydrophobicContact CB-CG1 4.15Å; L649-V651 HydrophobicContact CB-CG2 4.16Å; L649-V651 PolarHBondContact O-N 2.85Å; V651-F653 HydrophobicContact CB-CE2 4.36Å; V651-I779 HydrophobicContact CG2-CG2 3.54Å; V651-C780 PolarHBondContact O-SG 2.83Å; V651-C780 VanDerWaalsContact O-SG 3.33Å
652	H	85.8	Confident	87.1	Confident	46 Å²	46	18.7 Å²	18.7	21%	0.213	10%	0.097	C	C	.	.			trans	-130.4	92.6	-171.7	-73.6	87.9	0	0	0	110.3	L618 F619 D650 R834	L618-H652 HydrophobicContact CD2-CB 4.24Å; F619-H652 HydrophobicContact CD2-CB 4.09Å; F619-H652 HydrophobicContact CE2-CB 4.44Å; F619-H652 PolarHBondContact N-O 3.48Å; D650-H652 PolarHBondContact O-ND1 3.48Å; D650-H652 IonicContact OD1-CE1 3.17Å; D650-H652 PolarHBondContact OD1-CE1 3.47Å; D650-H652 VanDerWaalsContact OD1-CE1 3.24Å; D650-H652 IonicContact OD1-ND1 3.21Å; H652-R834 PolarHBondContact CD2-NH2 3.45Å; H652-R834 PolarHBondContact NE2-NH2 3.28Å
653	F	91.9	Very high	86.8	Confident	7 Å²	7	19 Å²	19	3%	0.031	10%	0.101	C	C	.	.			trans	-113.2	150.3	179.5	-70.6	-59	0	0	0	112.4	F603 F610 F619 L639 V651 V657 Y658 F753	F603-F653 AromaticContact CE1-CE1 3.8Å; F603-F653 HydrophobicContact CE1-CE1 3.8Å; F603-F653 HydrophobicContact CE1-CE2 4.42Å; F603-F653 AromaticContact CE1-CZ 3.61Å; F603-F653 HydrophobicContact CE1-CZ 3.61Å; F603-F653 HydrophobicContact CZ-CE1 4.14Å; F603-F653 AromaticContact CZ-CE2 3.99Å; F603-F653 HydrophobicContact CZ-CE2 3.99Å; F603-F653 AromaticContact CZ-CZ 3.45Å; F603-F653 HydrophobicContact CZ-CZ 3.45Å; F603-F653 VanDerWaalsContact CZ-CZ 3.45Å; F610-F653 AromaticContact CD1-CE1 3.96Å; F610-F653 HydrophobicContact CD1-CE1 3.96Å; F610-F653 AromaticContact CE1-CE1 3.66Å; F610-F653 HydrophobicContact CE1-CE1 3.66Å; F610-F653 AromaticContact CE1-CZ 3.9Å; F610-F653 HydrophobicContact CE1-CZ 3.9Å; F610-F653 HydrophobicContact CZ-CE1 4.38Å; F610-F653 HydrophobicContact CZ-CZ 4.18Å; F619-F653 HydrophobicContact CB-CD1 4.33Å; F619-F653 HydrophobicContact CB-CE1 4.26Å; F619-F653 WeakPolarHBondContact O-CD1 3.5Å; L639-F653 HydrophobicContact CD2-CE2 4.4Å; V651-F653 HydrophobicContact CB-CE2 4.36Å; F653-V657 HydrophobicContact CB-CB 3.87Å; F653-V657 HydrophobicContact CB-CG1 4.22Å; F653-V657 HydrophobicContact CB-CG2 3.88Å; F653-V657 HydrophobicContact CD1-CG1 4.35Å; F653-V657 HydrophobicContact CD1-CG2 4.05Å; F653-V657 HydrophobicContact CD2-CG1 4.12Å; F653-V657 HydrophobicContact CG-CB 4.18Å; F653-V657 HydrophobicContact CG-CG1 4Å; F653-V657 HydrophobicContact CG-CG2 4.11Å; F653-Y658 HydrophobicContact CB-CE2 4.05Å; F653-F753 HydrophobicContact CE2-CZ 4.2Å; F653-F753 HydrophobicContact CZ-CZ 4.37Å
654	P	92.7	Very high	86.6	Confident	4 Å²	4	19.4 Å²	19.4	3%	0.026	10%	0.102	C	C	.	.			trans	-65.9	151	166.5	25.6	-29.4	0	0	0	110.9	L618 F619 W620 V656 V657 D673 A674	L618-P654 HydrophobicContact CD1-CB 3.93Å; F619-P654 VanDerWaalsContact O-CD 3.26Å; F619-P654 WeakPolarHBondContact O-CD 3.4Å; W620-P654 HydrophobicContact CE3-CG 3.93Å; W620-P654 HydrophobicContact CZ3-CG 4.28Å; P654-V656 HydrophobicContact CB-CG1 4.18Å; P654-V656 HydrophobicContact CG-CG1 3.97Å; P654-V656 PolarHBondContact O-N 3.44Å; P654-V657 HydrophobicContact CG-CG2 4.19Å; P654-V657 PolarHBondContact O-N 2.94Å; P654-D673 HydrophobicContact CB-CB 4.42Å; P654-A674 HydrophobicContact CB-CB 3.96Å; P654-A674 HydrophobicContact CG-CB 4Å
655	M	90.9	Very high	86.9	Confident	33 Å²	33	21.4 Å²	21.4	16%	0.163	11%	0.111	C	C	.	.	H	α-helix	trans	-55.3	-28.3	-172.2	-169.3	52.6	60.4	0	0	113.8	V657 Y658 R659 P772 E773 E776	M655-V657 PolarHBondContact O-N 2.73Å; M655-Y658 HydrophobicContact CE-CD2 4.48Å; M655-Y658 PolarHBondContact O-N 2.98Å; M655-Y658 HydrophobicContact SD-CD2 3.97Å; M655-R659 PolarHBondContact O-N 3.07Å; M655-R659 VanDerWaalsContact O-N 3.09Å; M655-P772 HydrophobicContact CG-CB 4.49Å; M655-P772 HydrophobicContact SD-CB 3.7Å; M655-E773 HydrophobicContact CE-CB 4.28Å; M655-E773 HydrophobicContact CE-CG 3.97Å; M655-E773 HydrophobicContact SD-CG 4.17Å; M655-E776 HydrophobicContact CE-CB 4.44Å; M655-E776 WeakPolarHBondContact CE-OE2 3.39Å
656	V	91.9	Very high	87.3	Confident	1 Å²	1	19.4 Å²	19.4	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-54.6	-32.4	174.5	76.1	0	0	0	0	113.8	W620 P654 R659 K660 D670 A674 L742	W620-V656 HydrophobicContact CH2-CG1 4.16Å; W620-V656 HydrophobicContact CZ3-CG1 3.61Å; P654-V656 HydrophobicContact CB-CG1 4.18Å; P654-V656 HydrophobicContact CG-CG1 3.97Å; P654-V656 PolarHBondContact O-N 3.44Å; V656-R659 PolarHBondContact O-N 3.41Å; V656-K660 HydrophobicContact CG2-CD 4.16Å; V656-K660 HydrophobicContact CG2-CG 4.38Å; V656-K660 WeakPolarHBondContact O-CB 3.09Å; V656-K660 VanDerWaalsContact O-CG 3.23Å; V656-K660 WeakPolarHBondContact O-CG 3.31Å; V656-K660 PolarHBondContact O-N 2.94Å; V656-D670 HydrophobicContact CB-CB 3.84Å; V656-D670 HydrophobicContact CG2-CB 3.61Å; V656-A674 HydrophobicContact CG1-CB 4.4Å; V656-L742 HydrophobicContact CG1-CD2 4.22Å; V656-L742 HydrophobicContact CG2-CD1 4.32Å; V656-L742 HydrophobicContact CG2-CD2 4.28Å
657	V	93.9	Very high	87.8	Confident	1 Å²	1	16 Å²	16	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-66.5	-44.7	179.4	178.6	0	0	0	0	110.4	W620 F621 F653 P654 M655 K660 L661 F750 F753	W620-V657 HydrophobicContact CE3-CG2 4.32Å; W620-V657 HydrophobicContact CZ3-CG2 3.92Å; F621-V657 HydrophobicContact CE2-CG1 4.13Å; F621-V657 HydrophobicContact CE2-CG2 4.04Å; F653-V657 HydrophobicContact CB-CB 3.87Å; F653-V657 HydrophobicContact CB-CG1 4.22Å; F653-V657 HydrophobicContact CB-CG2 3.88Å; F653-V657 HydrophobicContact CD1-CG1 4.35Å; F653-V657 HydrophobicContact CD1-CG2 4.05Å; F653-V657 HydrophobicContact CD2-CG1 4.12Å; F653-V657 HydrophobicContact CG-CB 4.18Å; F653-V657 HydrophobicContact CG-CG1 4Å; F653-V657 HydrophobicContact CG-CG2 4.11Å; P654-V657 HydrophobicContact CG-CG2 4.19Å; P654-V657 PolarHBondContact O-N 2.94Å; M655-V657 PolarHBondContact O-N 2.73Å; V657-K660 PolarHBondContact O-N 3.29Å; V657-L661 WeakPolarHBondContact O-CG 3.07Å; V657-L661 PolarHBondContact O-N 3.41Å; V657-F750 HydrophobicContact CG1-CE2 4.37Å; V657-F753 HydrophobicContact CG1-CE1 3.95Å; V657-F753 HydrophobicContact CG1-CZ 4.38Å
658	Y	92.2	Very high	88.1	Confident	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-68.1	-37.8	176.8	-51.2	-70.4	0	0	0	111.5	F653 M655 K660 L661 M662 I775 E776 I779 C780	F653-Y658 HydrophobicContact CB-CE2 4.05Å; M655-Y658 HydrophobicContact CE-CD2 4.48Å; M655-Y658 PolarHBondContact O-N 2.98Å; M655-Y658 HydrophobicContact SD-CD2 3.97Å; Y658-K660 PolarHBondContact O-N 3.3Å; Y658-L661 PolarHBondContact O-N 3.1Å; Y658-M662 WeakPolarHBondContact O-CG 3.43Å; Y658-M662 PolarHBondContact O-N 3.27Å; Y658-I775 HydrophobicContact CD1-CG2 3.97Å; Y658-E776 HydrophobicContact CD2-CB 4.15Å; Y658-E776 HydrophobicContact CE2-CB 3.82Å; Y658-E776 HydrophobicContact CE2-CG 3.9Å; Y658-I779 HydrophobicContact CD1-CD1 4.24Å; Y658-I779 HydrophobicContact CE1-CD1 3.89Å; Y658-C780 PolarHBondContact OH-SG 3.22Å
659	R	89	Confident	88.2	Confident	8 Å²	8	20.5 Å²	20.5	3%	0.03	10%	0.096	C	C	.	.	H	α-helix	trans	-59.6	-44.7	171.1	-67.3	-178.2	70.7	-98.7	-4.3	112.2	D409 R460 M655 V656 M662 G663 K664 K665 D670 P772	D409-R659 IonicContact OD2-NH2 2.69Å; D409-R659 PolarHBondContact OD2-NH2 2.87Å; R460-R659 VanDerWaalsContact CZ-NE 3.35Å; R460-R659 VanDerWaalsContact NH2-NH2 3.14Å; M655-R659 PolarHBondContact O-N 3.07Å; M655-R659 VanDerWaalsContact O-N 3.09Å; V656-R659 PolarHBondContact O-N 3.41Å; R659-M662 WeakPolarHBondContact O-CB 3.47Å; R659-M662 PolarHBondContact O-N 3.47Å; R659-M662 VanDerWaalsContact O-N 3.14Å; R659-G663 PolarHBondContact O-N 2.86Å; R659-K664 HydrophobicContact CB-CB 4.42Å; R659-K664 WeakPolarHBondContact O-CB 3.33Å; R659-K664 PolarHBondContact O-N 3.47Å; R659-K664 VanDerWaalsContact O-N 3.16Å; R659-K665 PolarHBondContact NH1-O 3.14Å; R659-D670 WeakPolarHBondContact CD-OD1 3.41Å; R659-D670 IonicContact CZ-OD1 2.73Å; R659-D670 IonicContact CZ-OD2 3.51Å; R659-D670 IonicContact NE-OD1 3.8Å; R659-D670 IonicContact NH1-OD1 3.88Å; R659-D670 PolarHBondContact NH1-OD1 3.28Å; R659-D670 IonicContact NH1-OD2 3.89Å; R659-D670 PolarHBondContact NH1-OD2 2.8Å; R659-P772 HydrophobicContact CG-CB 3.97Å; R659-P772 HydrophobicContact CG-CG 3.81Å
660	K	90.1	Very high	88.4	Confident	6 Å²	6	20.3 Å²	20.3	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-67.3	-33.8	177	-68.1	173.6	66.3	60.7	0	112.8	V656 V657 Y658 M662 G663 K664 L742 N743 F750	V656-K660 HydrophobicContact CG2-CD 4.16Å; V656-K660 HydrophobicContact CG2-CG 4.38Å; V656-K660 WeakPolarHBondContact O-CB 3.09Å; V656-K660 VanDerWaalsContact O-CG 3.23Å; V656-K660 WeakPolarHBondContact O-CG 3.31Å; V656-K660 PolarHBondContact O-N 2.94Å; V657-K660 PolarHBondContact O-N 3.29Å; Y658-K660 PolarHBondContact O-N 3.3Å; K660-M662 PolarHBondContact O-N 3.49Å; K660-G663 PolarHBondContact O-N 3.41Å; K660-K664 WeakPolarHBondContact CA-O 3.17Å; K660-K664 WeakPolarHBondContact CG-O 3.33Å; K660-K664 PolarHBondContact N-O 3.03Å; K660-L742 VanDerWaalsContact CE-O 3.26Å; K660-L742 WeakPolarHBondContact CE-O 3.16Å; K660-L742 PolarHBondContact NZ-O 2.81Å; K660-N743 PolarHBondContact NZ-OD1 3.05Å; K660-F750 HydrophobicContact CB-CD1 4.4Å; K660-F750 HydrophobicContact CB-CE1 3.51Å; K660-F750 HydrophobicContact CB-CE2 3.83Å; K660-F750 HydrophobicContact CB-CZ 3.19Å; K660-F750 HydrophobicContact CG-CZ 4.42Å
661	L	89.1	Confident	88.7	Confident	14 Å²	14	17.5 Å²	17.5	7%	0.073	8%	0.081	C	C	.	.	H	α-helix	trans	-61.2	-33.8	170.9	-76.4	177.4	0	0	0	112.2	V657 Y658 G663 F750 F753 R754 F757	V657-L661 WeakPolarHBondContact O-CG 3.07Å; V657-L661 PolarHBondContact O-N 3.41Å; Y658-L661 PolarHBondContact O-N 3.1Å; L661-G663 PolarHBondContact O-N 3.41Å; L661-F750 HydrophobicContact CD2-CZ 4.33Å; L661-F750 HydrophobicContact CG-CZ 4.46Å; L661-F753 HydrophobicContact CD1-CE1 4.05Å; L661-F753 HydrophobicContact CD2-CD1 3.89Å; L661-F753 HydrophobicContact CD2-CE1 3.65Å; L661-F753 HydrophobicContact CG-CE1 4Å; L661-R754 HydrophobicContact CD2-CB 4.46Å; L661-F757 HydrophobicContact CB-CE1 4.44Å; L661-F757 HydrophobicContact CD1-CD1 4.49Å; L661-F757 HydrophobicContact CD1-CD2 4.35Å; L661-F757 HydrophobicContact CD1-CE1 4.44Å; L661-F757 HydrophobicContact CD1-CE2 4.3Å; L661-F757 HydrophobicContact CD1-CG 4.43Å; L661-F757 HydrophobicContact CD1-CZ 4.34Å; L661-F757 HydrophobicContact CD2-CB 3.94Å; L661-F757 HydrophobicContact CD2-CD1 3.87Å; L661-F757 HydrophobicContact CD2-CE1 4.5Å; L661-F757 HydrophobicContact CD2-CG 3.87Å
662	M	83.7	Confident	88.8	Confident	15 Å²	15	19.1 Å²	19.1	7%	0.074	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-0.6	174.2	-60.7	-179.7	84.7	0	0	114.3	N457 Y658 R659 K660 F770 P772 I775	N457-M662 VanDerWaalsContact ND2-CE 3.31Å; N457-M662 WeakPolarHBondContact ND2-CE 3.49Å; Y658-M662 WeakPolarHBondContact O-CG 3.43Å; Y658-M662 PolarHBondContact O-N 3.27Å; R659-M662 WeakPolarHBondContact O-CB 3.47Å; R659-M662 PolarHBondContact O-N 3.47Å; R659-M662 VanDerWaalsContact O-N 3.14Å; K660-M662 PolarHBondContact O-N 3.49Å; M662-F770 WeakPolarHBondContact CE-O 3.28Å; M662-P772 HydrophobicContact SD-CB 4.27Å; M662-P772 HydrophobicContact SD-CG 3.62Å; M662-I775 HydrophobicContact CE-CD1 4.15Å; M662-I775 HydrophobicContact CG-CD1 3.63Å; M662-I775 HydrophobicContact SD-CD1 3.56Å; M662-I775 VanDerWaalsContact SD-CD1 3.56Å
663	G	81.7	Confident	88.8	Confident	8 Å²	8	21 Å²	21	8%	0.082	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	20.6	178.3	0	0	0	0	0	115.5	D415 R659 K660 L661	D415-G663 PolarHBondContact N-O 3.3Å; R659-G663 PolarHBondContact O-N 2.86Å; K660-G663 PolarHBondContact O-N 3.41Å; L661-G663 PolarHBondContact O-N 3.41Å
664	K	84.6	Confident	88.6	Confident	12 Å²	12	21.7 Å²	21.7	5%	0.052	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-108.8	132.3	179.2	-64.7	178.5	157.6	-122.3	0	112.4	N413 N457 D458 R659 K660	N413-K664 CarbonylContact O-C 3.54Å; N413-K664 WeakPolarHBondContact O-CA 3.25Å; N457-K664 HydrophobicContact CB-CD 4.38Å; N457-K664 PolarHBondContact O-NZ 3.14Å; D458-K664 IonicContact OD1-NZ 2.71Å; D458-K664 PolarHBondContact OD1-NZ 2.86Å; R659-K664 HydrophobicContact CB-CB 4.42Å; R659-K664 WeakPolarHBondContact O-CB 3.33Å; R659-K664 PolarHBondContact O-N 3.47Å; R659-K664 VanDerWaalsContact O-N 3.16Å; K660-K664 WeakPolarHBondContact CA-O 3.17Å; K660-K664 WeakPolarHBondContact CG-O 3.33Å; K660-K664 PolarHBondContact N-O 3.03Å
665	K	86.8	Confident	88.3	Confident	49 Å²	49	24.7 Å²	24.7	21%	0.213	13%	0.128	C	C	.	.			trans	-62.5	149.3	170.9	-67.1	165.7	174.8	153.8	0	111.3	N413 E414 D415 R659	N413-K665 HydrophobicContact CB-CB 4.06Å; N413-K665 PolarHBondContact O-N 3.31Å; E414-K665 WeakPolarHBondContact O-CE 3.45Å; E414-K665 PolarHBondContact O-NZ 2.79Å; D415-K665 VanDerWaalsContact OD1-CE 3.26Å; D415-K665 WeakPolarHBondContact OD1-CE 3.48Å; D415-K665 WeakPolarHBondContact OD1-CG 3.48Å; R659-K665 PolarHBondContact NH1-O 3.14Å
666	G	87.3	Confident	88.3	Confident	4 Å²	4	25.7 Å²	25.7	4%	0.041	14%	0.137	C	C	.	.			trans	-74.2	139.4	168.2	0	0	0	0	0	110.6	N743	G666-N743 PolarHBondContact N-OD1 3.02Å; G666-N743 PolarHBondContact O-ND2 3.24Å
667	T	88.4	Confident	88.2	Confident	8 Å²	8	30.6 Å²	30.6	5%	0.049	17%	0.167	C	C	.	.			trans	-117.5	172.5	-175.6	83.3	0	0	0	0	111.1	N413 R460 R669 D670 L742	N413-T667 HydrophobicContact CB-CG2 4.49Å; N413-T667 VanDerWaalsContact ND2-CG2 3.28Å; N413-T667 WeakPolarHBondContact ND2-CG2 3.37Å; R460-T667 PolarHBondContact NH2-OG1 3.04Å; T667-R669 PolarHBondContact O-N 2.83Å; T667-R669 VanDerWaalsContact O-N 3.15Å; T667-R669 PolarHBondContact OG1-N 3.41Å; T667-D670 PolarHBondContact N-OD2 2.83Å; T667-D670 WeakPolarHBondContact O-CB 3.39Å; T667-D670 PolarHBondContact O-N 2.94Å; T667-D670 PolarHBondContact OG1-OD2 3.17Å; T667-L742 WeakPolarHBondContact O-CD1 3.39Å
668	F	89.3	Confident	88.1	Confident	49 Å²	49	31.7 Å²	31.7	22%	0.215	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-52.3	-37.2	176.3	170.9	-121.1	0	0	0	113.4	D670 L671 Y679 L682 K683 V734 S738	F668-D670 VanDerWaalsContact C-N 3.28Å; F668-D670 PolarHBondContact O-N 3.17Å; F668-L671 HydrophobicContact CD2-CD1 4.29Å; F668-L671 WeakPolarHBondContact O-CB 3.38Å; F668-L671 PolarHBondContact O-N 3.01Å; F668-Y679 HydrophobicContact CD1-CE2 4.31Å; F668-Y679 HydrophobicContact CD2-CD2 4.14Å; F668-Y679 HydrophobicContact CD2-CE2 4.33Å; F668-Y679 HydrophobicContact CE1-CD2 4.4Å; F668-Y679 AromaticContact CE1-CE2 3.75Å; F668-Y679 HydrophobicContact CE1-CE2 3.75Å; F668-Y679 AromaticContact CE2-CD2 3.54Å; F668-Y679 HydrophobicContact CE2-CD2 3.54Å; F668-Y679 AromaticContact CE2-CE2 3.75Å; F668-Y679 HydrophobicContact CE2-CE2 3.75Å; F668-Y679 AromaticContact CZ-CD2 3.7Å; F668-Y679 HydrophobicContact CZ-CD2 3.7Å; F668-Y679 AromaticContact CZ-CE2 3.43Å; F668-Y679 HydrophobicContact CZ-CE2 3.43Å; F668-Y679 VanDerWaalsContact CZ-CE2 3.43Å; F668-Y679 WeakPolarHBondContact O-CD2 3.42Å; F668-L682 HydrophobicContact CD2-CB 4.45Å; F668-L682 HydrophobicContact CD2-CD1 4.49Å; F668-L682 HydrophobicContact CE2-CB 3.65Å; F668-L682 HydrophobicContact CE2-CD1 4.39Å; F668-L682 HydrophobicContact CZ-CB 4.36Å; F668-K683 HydrophobicContact CZ-CB 4.13Å; F668-V734 HydrophobicContact CB-CG1 4.37Å; F668-V734 HydrophobicContact CD1-CG1 4.25Å; F668-V734 HydrophobicContact CD2-CG1 3.52Å; F668-V734 HydrophobicContact CE1-CG1 4.49Å; F668-V734 HydrophobicContact CE2-CG1 3.83Å; F668-V734 HydrophobicContact CG-CG1 3.77Å; F668-V734 HydrophobicContact CZ-CG1 4.3Å; F668-S738 WeakPolarHBondContact CA-OG 3.14Å; F668-S738 WeakPolarHBondContact CB-OG 3.45Å
669	R	87.6	Confident	88.1	Confident	100 Å²	100	34.3 Å²	34.3	38%	0.377	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-64.9	-32	179	-69.2	176.2	170.9	-175.3	-10.5	112.6	D407 T667 L671 A672	D407-R669 VanDerWaalsContact CG-NH2 3.35Å; D407-R669 IonicContact OD1-CZ 3.7Å; D407-R669 IonicContact OD1-NH1 3.67Å; D407-R669 PolarHBondContact OD1-NH1 3.42Å; D407-R669 IonicContact OD1-NH2 2.87Å; D407-R669 PolarHBondContact OD1-NH2 2.84Å; D407-R669 IonicContact OD2-CZ 3.51Å; D407-R669 IonicContact OD2-NH1 2.73Å; D407-R669 PolarHBondContact OD2-NH1 3.08Å; D407-R669 VanDerWaalsContact OD2-NH1 3.17Å; D407-R669 IonicContact OD2-NH2 3.42Å; D407-R669 PolarHBondContact OD2-NH2 3.32Å; D407-R669 VanDerWaalsContact OD2-NH2 3.14Å; T667-R669 PolarHBondContact O-N 2.83Å; T667-R669 VanDerWaalsContact O-N 3.15Å; T667-R669 PolarHBondContact OG1-N 3.41Å; R669-L671 VanDerWaalsContact C-N 3.27Å; R669-L671 PolarHBondContact O-N 2.97Å; R669-A672 WeakPolarHBondContact O-CB 3.3Å; R669-A672 PolarHBondContact O-N 3.03Å
670	D	89.8	Confident	88.3	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.011	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-71.9	-19.8	179.7	-64.6	-66.7	0	0	0	113.1	R460 V656 R659 T667 F668 A672 D673 A674 L742	R460-D670 IonicContact CZ-OD1 3.46Å; R460-D670 IonicContact CZ-OD2 3.43Å; R460-D670 IonicContact NH1-OD1 3.57Å; R460-D670 PolarHBondContact NH1-OD1 3.39Å; R460-D670 IonicContact NH1-OD2 3.49Å; R460-D670 IonicContact NH2-OD1 2.82Å; R460-D670 PolarHBondContact NH2-OD1 3.16Å; R460-D670 IonicContact NH2-OD2 3.79Å; R460-D670 PolarHBondContact NH2-OD2 2.71Å; V656-D670 HydrophobicContact CB-CB 3.84Å; V656-D670 HydrophobicContact CG2-CB 3.61Å; R659-D670 WeakPolarHBondContact CD-OD1 3.41Å; R659-D670 IonicContact CZ-OD1 2.73Å; R659-D670 IonicContact CZ-OD2 3.51Å; R659-D670 IonicContact NE-OD1 3.8Å; R659-D670 IonicContact NH1-OD1 3.88Å; R659-D670 PolarHBondContact NH1-OD1 3.28Å; R659-D670 IonicContact NH1-OD2 3.89Å; R659-D670 PolarHBondContact NH1-OD2 2.8Å; T667-D670 PolarHBondContact N-OD2 2.83Å; T667-D670 WeakPolarHBondContact O-CB 3.39Å; T667-D670 PolarHBondContact O-N 2.94Å; T667-D670 PolarHBondContact OG1-OD2 3.17Å; F668-D670 VanDerWaalsContact C-N 3.28Å; F668-D670 PolarHBondContact O-N 3.17Å; D670-A672 PolarHBondContact O-N 3.15Å; D670-D673 PolarHBondContact O-N 3.44Å; D670-A674 PolarHBondContact O-N 3.45Å; D670-L742 HydrophobicContact CB-CD1 3.83Å
671	L	89.8	Confident	88.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-23.5	172.4	-71.6	178.9	0	0	0	112.4	F668 R669 D673 A674 N675 L678 Y679 L682 S738 I741 L742	F668-L671 HydrophobicContact CD2-CD1 4.29Å; F668-L671 WeakPolarHBondContact O-CB 3.38Å; F668-L671 PolarHBondContact O-N 3.01Å; R669-L671 VanDerWaalsContact C-N 3.27Å; R669-L671 PolarHBondContact O-N 2.97Å; L671-D673 PolarHBondContact O-N 2.96Å; L671-A674 PolarHBondContact O-N 3.04Å; L671-N675 CarbonylContact O-C 3.59Å; L671-N675 WeakPolarHBondContact O-CA 3.44Å; L671-N675 PolarHBondContact O-N 3.42Å; L671-N675 VanDerWaalsContact O-O 3.04Å; L671-L678 HydrophobicContact CD1-CD2 4.27Å; L671-L678 HydrophobicContact CD1-CG 4.42Å; L671-L678 HydrophobicContact CD2-CD2 4.39Å; L671-Y679 HydrophobicContact CB-CD2 4.16Å; L671-L682 HydrophobicContact CD1-CD1 3.8Å; L671-S738 WeakPolarHBondContact CD1-OG 3.41Å; L671-I741 HydrophobicContact CD2-CB 4.45Å; L671-I741 HydrophobicContact CD2-CG2 3.93Å; L671-L742 HydrophobicContact CD2-CD1 3.9Å; L671-L742 HydrophobicContact CD2-CD2 3.89Å; L671-L742 HydrophobicContact CD2-CG 3.75Å; L671-L742 HydrophobicContact CG-CD1 3.96Å; L671-L742 HydrophobicContact CG-CG 4.34Å
672	A	88.8	Confident	88.7	Confident	33 Å²	33	40.3 Å²	40.3	27%	0.273	22%	0.218	S	C	.	.	H	α-helix	trans	-58	-35.5	179.4	0	0	0	0	0	112.4	R669 D670 P676 Y679	R669-A672 WeakPolarHBondContact O-CB 3.3Å; R669-A672 PolarHBondContact O-N 3.03Å; D670-A672 PolarHBondContact O-N 3.15Å; A672-P676 WeakPolarHBondContact O-CG 3.32Å; A672-Y679 HydrophobicContact CB-CD1 3.77Å; A672-Y679 HydrophobicContact CB-CD2 3.97Å; A672-Y679 HydrophobicContact CB-CE1 3.9Å; A672-Y679 HydrophobicContact CB-CE2 4.1Å; A672-Y679 HydrophobicContact CB-CG 3.81Å
673	D	85.8	Confident	89.2	Confident	87 Å²	87	42.6 Å²	42.6	47%	0.465	23%	0.228	S	C	.	.	H	α-helix	trans	-93.1	-36.3	177.5	-58.4	-31.9	0	0	0	112.2	P654 D670 L671	P654-D673 HydrophobicContact CB-CB 4.42Å; D670-D673 PolarHBondContact O-N 3.44Å; L671-D673 PolarHBondContact O-N 2.96Å
674	A	86.5	Confident	89.7	Confident	21 Å²	21	47.1 Å²	47.1	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-81.7	-32.8	-174.3	0	0	0	0	0	114.1	P654 V656 D670 L671 L742	P654-A674 HydrophobicContact CB-CB 3.96Å; P654-A674 HydrophobicContact CG-CB 4Å; V656-A674 HydrophobicContact CG1-CB 4.4Å; D670-A674 PolarHBondContact O-N 3.45Å; L671-A674 PolarHBondContact O-N 3.04Å; A674-L742 HydrophobicContact CB-CD2 4.08Å
675	N	87.9	Confident	90.1	Very high	67 Å²	67	46.8 Å²	46.8	36%	0.358	25%	0.246	S	C	.	.			trans	-153.4	84	174.2	-171.7	-30.9	0	0	0	109.9	L671 V677 L678 Y679	L671-N675 CarbonylContact O-C 3.59Å; L671-N675 WeakPolarHBondContact O-CA 3.44Å; L671-N675 PolarHBondContact O-N 3.42Å; L671-N675 VanDerWaalsContact O-O 3.04Å; N675-V677 PolarHBondContact O-N 3.42Å; N675-V677 VanDerWaalsContact O-N 3.16Å; N675-V677 PolarHBondContact OD1-N 3.08Å; N675-L678 HydrophobicContact CB-CB 4.07Å; N675-L678 PolarHBondContact O-N 3.08Å; N675-L678 WeakPolarHBondContact OD1-CB 3.14Å; N675-L678 PolarHBondContact OD1-N 3.35Å; N675-Y679 PolarHBondContact O-N 2.77Å
676	P	89.8	Confident	90.4	Very high	54 Å²	54	46.6 Å²	46.6	35%	0.351	25%	0.248	S	C	.	.	H	α-helix	trans	-57.6	-33.3	-174.2	-24.4	31.5	0	0	0	113.9	T616 A672 Q680	T616-P676 HydrophobicContact CG2-CG 3.58Å; A672-P676 WeakPolarHBondContact O-CG 3.32Å; P676-Q680 WeakPolarHBondContact O-CB 3.34Å; P676-Q680 PolarHBondContact O-N 3.05Å
677	V	90.7	Very high	90.6	Very high	104 Å²	104	52 Å²	52	63%	0.63	27%	0.273	S	S	*	.	H	α-helix	trans	-68.8	-48.9	179.9	-178.8	0	0	0	0	110.5	N675 Y679 Q680 S681	N675-V677 PolarHBondContact O-N 3.42Å; N675-V677 VanDerWaalsContact O-N 3.16Å; N675-V677 PolarHBondContact OD1-N 3.08Å; V677-Y679 VanDerWaalsContact C-N 3.35Å; V677-Y679 PolarHBondContact O-N 3.27Å; V677-Q680 PolarHBondContact O-N 3.46Å; V677-S681 PolarHBondContact O-N 3.05Å; V677-S681 PolarHBondContact O-OG 3.49Å
678	L	90.8	Very high	90.8	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-42.1	177	-180	61.8	0	0	0	111.4	L671 N675 Q680 S681 L682 Y737 I741	L671-L678 HydrophobicContact CD1-CD2 4.27Å; L671-L678 HydrophobicContact CD1-CG 4.42Å; L671-L678 HydrophobicContact CD2-CD2 4.39Å; N675-L678 HydrophobicContact CB-CB 4.07Å; N675-L678 PolarHBondContact O-N 3.08Å; N675-L678 WeakPolarHBondContact OD1-CB 3.14Å; N675-L678 PolarHBondContact OD1-N 3.35Å; L678-Q680 VanDerWaalsContact C-N 3.35Å; L678-Q680 PolarHBondContact O-N 2.8Å; L678-S681 PolarHBondContact O-N 2.61Å; L678-L682 HydrophobicContact CD1-CD1 4Å; L678-L682 HydrophobicContact CD1-CG 4.07Å; L678-L682 HydrophobicContact CG-CD1 3.93Å; L678-L682 HydrophobicContact CG-CG 4.39Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 WeakPolarHBondContact O-CG 3.35Å; L678-L682 PolarHBondContact O-N 2.84Å; L678-Y737 HydrophobicContact CD1-CE1 3.94Å; L678-Y737 HydrophobicContact CD1-CE2 4.45Å; L678-Y737 HydrophobicContact CD2-CE2 4.33Å; L678-I741 HydrophobicContact CD2-CG1 4.09Å
679	Y	92.7	Very high	90.9	Very high	55 Å²	55	62.5 Å²	62.5	22%	0.216	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-47.4	174.8	175.9	-101	0	0	0	111.8	F668 L671 A672 N675 V677 L682 K683	F668-Y679 HydrophobicContact CD1-CE2 4.31Å; F668-Y679 HydrophobicContact CD2-CD2 4.14Å; F668-Y679 HydrophobicContact CD2-CE2 4.33Å; F668-Y679 HydrophobicContact CE1-CD2 4.4Å; F668-Y679 AromaticContact CE1-CE2 3.75Å; F668-Y679 HydrophobicContact CE1-CE2 3.75Å; F668-Y679 AromaticContact CE2-CD2 3.54Å; F668-Y679 HydrophobicContact CE2-CD2 3.54Å; F668-Y679 AromaticContact CE2-CE2 3.75Å; F668-Y679 HydrophobicContact CE2-CE2 3.75Å; F668-Y679 AromaticContact CZ-CD2 3.7Å; F668-Y679 HydrophobicContact CZ-CD2 3.7Å; F668-Y679 AromaticContact CZ-CE2 3.43Å; F668-Y679 HydrophobicContact CZ-CE2 3.43Å; F668-Y679 VanDerWaalsContact CZ-CE2 3.43Å; F668-Y679 WeakPolarHBondContact O-CD2 3.42Å; L671-Y679 HydrophobicContact CB-CD2 4.16Å; A672-Y679 HydrophobicContact CB-CD1 3.77Å; A672-Y679 HydrophobicContact CB-CD2 3.97Å; A672-Y679 HydrophobicContact CB-CE1 3.9Å; A672-Y679 HydrophobicContact CB-CE2 4.1Å; A672-Y679 HydrophobicContact CB-CG 3.81Å; N675-Y679 PolarHBondContact O-N 2.77Å; V677-Y679 VanDerWaalsContact C-N 3.35Å; V677-Y679 PolarHBondContact O-N 3.27Å; Y679-L682 PolarHBondContact O-N 3.27Å; Y679-K683 HydrophobicContact CE1-CD 4.11Å; Y679-K683 VanDerWaalsContact O-CB 3.24Å; Y679-K683 WeakPolarHBondContact O-CB 3.42Å; Y679-K683 PolarHBondContact O-N 2.86Å
680	Q	93.5	Very high	91.1	Very high	83 Å²	83	59.1 Å²	59.1	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-63.6	-43.9	-179.7	-175.9	59.7	26.5	0	0	111.8	P676 V677 L678 L682 K683 E684	P676-Q680 WeakPolarHBondContact O-CB 3.34Å; P676-Q680 PolarHBondContact O-N 3.05Å; V677-Q680 PolarHBondContact O-N 3.46Å; L678-Q680 VanDerWaalsContact C-N 3.35Å; L678-Q680 PolarHBondContact O-N 2.8Å; Q680-L682 PolarHBondContact O-N 2.69Å; Q680-K683 PolarHBondContact O-N 2.72Å; Q680-E684 WeakPolarHBondContact CG-OE1 3.29Å; Q680-E684 PolarHBondContact NE2-OE1 2.86Å; Q680-E684 WeakPolarHBondContact O-CB 3.3Å; Q680-E684 WeakPolarHBondContact O-CG 3.27Å; Q680-E684 PolarHBondContact O-N 3.09Å
681	S	93.4	Very high	91.1	Very high	66 Å²	66	61.7 Å²	61.7	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-40.5	176.2	-59.6	0	0	0	0	113.1	V677 L678 L685	V677-S681 PolarHBondContact O-N 3.05Å; V677-S681 PolarHBondContact O-OG 3.49Å; L678-S681 PolarHBondContact O-N 2.61Å; S681-L685 WeakPolarHBondContact O-CB 3.46Å; S681-L685 PolarHBondContact O-N 3.28Å
682	L	93.4	Very high	91.2	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-70.7	-33.3	176.2	-70.2	176.9	0	0	0	112.1	F668 L671 L678 Y679 Q680 L685 V686 F733 V734 Y737	F668-L682 HydrophobicContact CD2-CB 4.45Å; F668-L682 HydrophobicContact CD2-CD1 4.49Å; F668-L682 HydrophobicContact CE2-CB 3.65Å; F668-L682 HydrophobicContact CE2-CD1 4.39Å; F668-L682 HydrophobicContact CZ-CB 4.36Å; L671-L682 HydrophobicContact CD1-CD1 3.8Å; L678-L682 HydrophobicContact CD1-CD1 4Å; L678-L682 HydrophobicContact CD1-CG 4.07Å; L678-L682 HydrophobicContact CG-CD1 3.93Å; L678-L682 HydrophobicContact CG-CG 4.39Å; L678-L682 WeakPolarHBondContact O-CB 3.4Å; L678-L682 WeakPolarHBondContact O-CG 3.35Å; L678-L682 PolarHBondContact O-N 2.84Å; Y679-L682 PolarHBondContact O-N 3.27Å; Q680-L682 PolarHBondContact O-N 2.69Å; L682-L685 HydrophobicContact CD2-CD2 4.39Å; L682-L685 WeakPolarHBondContact O-CB 3.35Å; L682-L685 PolarHBondContact O-N 3.23Å; L682-V686 WeakPolarHBondContact O-CG2 3.47Å; L682-V686 PolarHBondContact O-N 3.47Å; L682-F733 HydrophobicContact CD2-CD1 4.44Å; L682-F733 HydrophobicContact CD2-CE1 3.99Å; L682-V734 HydrophobicContact CB-CG1 4.28Å; L682-V734 HydrophobicContact CB-CG2 4.27Å; L682-V734 HydrophobicContact CD2-CG2 4Å; L682-Y737 HydrophobicContact CD1-CD1 4.37Å; L682-Y737 HydrophobicContact CD2-CD1 3.79Å; L682-Y737 HydrophobicContact CD2-CE1 4.32Å
683	K	94.2	Very high	91.2	Very high	63 Å²	63	64.4 Å²	64.4	27%	0.274	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-48.1	172.7	-176	-178.2	171.6	-171.4	0	111.2	F668 Y679 Q680 L685 V686 E687	F668-K683 HydrophobicContact CZ-CB 4.13Å; Y679-K683 HydrophobicContact CE1-CD 4.11Å; Y679-K683 VanDerWaalsContact O-CB 3.24Å; Y679-K683 WeakPolarHBondContact O-CB 3.42Å; Y679-K683 PolarHBondContact O-N 2.86Å; Q680-K683 PolarHBondContact O-N 2.72Å; K683-L685 VanDerWaalsContact C-N 3.28Å; K683-L685 PolarHBondContact O-N 2.84Å; K683-V686 PolarHBondContact O-N 3.14Å; K683-E687 WeakPolarHBondContact CE-OE1 3.32Å; K683-E687 WeakPolarHBondContact CE-OE2 3.4Å; K683-E687 HydrophobicContact CG-CG 4.41Å; K683-E687 IonicContact NZ-OE1 3.2Å; K683-E687 PolarHBondContact O-N 2.76Å
684	E	93.4	Very high	91.3	Very high	102 Å²	102	66.7 Å²	66.7	48%	0.477	34%	0.344	S	S	.	.	H	α-helix	trans	-58.4	-39.7	175.7	-75.1	169.1	-170.1	0	0	111.7	Q680 V686 E687 Y688	Q680-E684 WeakPolarHBondContact CG-OE1 3.29Å; Q680-E684 PolarHBondContact NE2-OE1 2.86Å; Q680-E684 WeakPolarHBondContact O-CB 3.3Å; Q680-E684 WeakPolarHBondContact O-CG 3.27Å; Q680-E684 PolarHBondContact O-N 3.09Å; E684-V686 VanDerWaalsContact C-N 3.35Å; E684-V686 PolarHBondContact O-N 3.17Å; E684-E687 PolarHBondContact O-N 2.76Å; E684-Y688 WeakPolarHBondContact O-CB 3.24Å; E684-Y688 PolarHBondContact O-N 3.2Å
685	L	92.4	Very high	91.4	Very high	6 Å²	6	70.1 Å²	70.1	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-59.7	-39.6	172.8	176.9	65.9	0	0	0	113	S681 L682 K683 V692 M696 I698 R730 F733 V734	S681-L685 WeakPolarHBondContact O-CB 3.46Å; S681-L685 PolarHBondContact O-N 3.28Å; L682-L685 HydrophobicContact CD2-CD2 4.39Å; L682-L685 WeakPolarHBondContact O-CB 3.35Å; L682-L685 PolarHBondContact O-N 3.23Å; K683-L685 VanDerWaalsContact C-N 3.28Å; K683-L685 PolarHBondContact O-N 2.84Å; L685-V692 HydrophobicContact CD1-CG1 3.52Å; L685-V692 HydrophobicContact CD1-CG2 4.29Å; L685-M696 HydrophobicContact CD1-SD 3.56Å; L685-M696 VanDerWaalsContact CD1-SD 3.56Å; L685-I698 HydrophobicContact CD1-CD1 3.96Å; L685-I698 HydrophobicContact CD2-CD1 3.93Å; L685-R730 HydrophobicContact CG-CB 4.4Å; L685-R730 VanDerWaalsContact O-CD 3.27Å; L685-R730 WeakPolarHBondContact O-CD 3.45Å; L685-R730 PolarHBondContact O-NH1 3.05Å; L685-F733 HydrophobicContact CD2-CD1 3.59Å; L685-F733 HydrophobicContact CD2-CE1 3.79Å; L685-V734 HydrophobicContact CD2-CG2 4.03Å
686	V	92	Very high	91.5	Very high	44 Å²	44	70.2 Å²	70.2	27%	0.267	36%	0.358	S	S	.	.	H	α-helix	trans	-74.9	-35.9	178	174.9	0	0	0	0	112.4	L682 K683 E684 R730 V734	L682-V686 WeakPolarHBondContact O-CG2 3.47Å; L682-V686 PolarHBondContact O-N 3.47Å; K683-V686 PolarHBondContact O-N 3.14Å; E684-V686 VanDerWaalsContact C-N 3.35Å; E684-V686 PolarHBondContact O-N 3.17Å; V686-R730 PolarHBondContact O-NH1 2.98Å; V686-R730 PolarHBondContact O-NH2 3.16Å; V686-V734 HydrophobicContact CG2-CB 4.36Å; V686-V734 HydrophobicContact CG2-CG1 4.39Å; V686-V734 HydrophobicContact CG2-CG2 3.73Å
687	E	92.9	Very high	91.5	Very high	119 Å²	119	74.8 Å²	74.8	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-85.9	-10.2	-178.5	-68.2	177.9	171.2	0	0	112.9	K683 E684 E689	K683-E687 WeakPolarHBondContact CE-OE1 3.32Å; K683-E687 WeakPolarHBondContact CE-OE2 3.4Å; K683-E687 HydrophobicContact CG-CG 4.41Å; K683-E687 IonicContact NZ-OE1 3.2Å; K683-E687 PolarHBondContact O-N 2.76Å; E684-E687 PolarHBondContact O-N 2.76Å; E687-E689 PolarHBondContact O-N 3.09Å
688	Y	92.9	Very high	91.6	Very high	81 Å²	81	72.7 Å²	72.7	32%	0.318	36%	0.361	S	S	.	.			trans	-58.3	129.9	-179.3	-163	-117.8	0	0	0	113.1	E684 G690 V692 D695 M696 R730	E684-Y688 WeakPolarHBondContact O-CB 3.24Å; E684-Y688 PolarHBondContact O-N 3.2Å; Y688-G690 VanDerWaalsContact CE1-C 3.41Å; Y688-V692 HydrophobicContact CD1-CG2 3.92Å; Y688-D695 HydrophobicContact CE1-CB 3.98Å; Y688-D695 WeakPolarHBondContact CE1-OD2 3.41Å; Y688-D695 PolarHBondContact OH-OD2 3.17Å; Y688-D695 VanDerWaalsContact OH-OD2 3.07Å; Y688-M696 HydrophobicContact CD1-CE 3.88Å; Y688-M696 HydrophobicContact CD2-CE 3.78Å; Y688-M696 HydrophobicContact CE1-CE 4.17Å; Y688-M696 HydrophobicContact CE2-CE 4.12Å; Y688-M696 HydrophobicContact CG-CE 3.67Å; Y688-R730 PolarHBondContact O-NH1 3.04Å; Y688-R730 PolarHBondContact O-NH2 3.09Å
689	E	90.4	Very high	91.7	Very high	195 Å²	195	73.5 Å²	73.5	91%	0.911	37%	0.368	S	S	*	.			trans	-92	-18.3	179.4	-61.8	-175.1	162.8	0	0	113.4	E687	E687-E689 PolarHBondContact O-N 3.09Å
690	G	91.6	Very high	91.8	Very high	29 Å²	29	71 Å²	71	30%	0.299	36%	0.358	S	S	.	.	S	Bend	trans	-81	-166.3	179.7	0	0	0	0	0	114.2	Y688 V692 N727	Y688-G690 VanDerWaalsContact CE1-C 3.41Å; G690-V692 PolarHBondContact O-N 2.81Å; G690-N727 PolarHBondContact O-ND2 3.43Å; G690-N727 PolarHBondContact O-OD1 2.85Å
691	N	90.3	Very high	91.8	Very high	57 Å²	57	70.3 Å²	70.3	31%	0.305	36%	0.355	S	S	.	.			trans	-91.3	102.7	-179.2	-176.2	-9.9	0	0	0	110.1	E693 E694 D695	N691-E693 PolarHBondContact O-N 2.82Å; N691-E693 PolarHBondContact OD1-N 3.02Å; N691-E693 VanDerWaalsContact OD1-N 3.17Å; N691-E694 HydrophobicContact CB-CB 4.24Å; N691-E694 VanDerWaalsContact ND2-CG 3.3Å; N691-E694 WeakPolarHBondContact ND2-CG 3.35Å; N691-E694 PolarHBondContact ND2-OE2 3.14Å; N691-E694 PolarHBondContact O-N 3.39Å; N691-D695 PolarHBondContact N-OD2 3.25Å; N691-D695 WeakPolarHBondContact O-CB 3.3Å; N691-D695 VanDerWaalsContact O-CG 3.3Å; N691-D695 PolarHBondContact O-N 2.89Å; N691-D695 VanDerWaalsContact O-OD2 3.08Å
692	V	90.8	Very high	91.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.9	-36.8	-176.3	175.7	0	0	0	0	112.5	L685 Y688 G690 M696 V725 N727	L685-V692 HydrophobicContact CD1-CG1 3.52Å; L685-V692 HydrophobicContact CD1-CG2 4.29Å; Y688-V692 HydrophobicContact CD1-CG2 3.92Å; G690-V692 PolarHBondContact O-N 2.81Å; V692-M696 HydrophobicContact CG1-SD 4.37Å; V692-M696 WeakPolarHBondContact O-CB 3.39Å; V692-M696 PolarHBondContact O-N 3.3Å; V692-M696 VanDerWaalsContact O-N 3.11Å; V692-V725 HydrophobicContact CG1-CB 4.33Å; V692-V725 HydrophobicContact CG1-CG1 4.05Å; V692-N727 PolarHBondContact N-OD1 3.33Å
693	E	89.4	Confident	91.6	Very high	90 Å²	90	69.9 Å²	69.9	42%	0.421	35%	0.351	S	S	.	.	H	α-helix	trans	-69.5	-44.3	-177.1	-176.8	170.3	-170.9	0	0	111.6	N691 M697 P724 V725 T726	N691-E693 PolarHBondContact O-N 2.82Å; N691-E693 PolarHBondContact OD1-N 3.02Å; N691-E693 VanDerWaalsContact OD1-N 3.17Å; E693-M697 WeakPolarHBondContact O-CA 3.41Å; E693-M697 WeakPolarHBondContact O-CG 3.34Å; E693-M697 PolarHBondContact O-N 3.42Å; E693-P724 HydrophobicContact CG-CB 4.09Å; E693-P724 WeakPolarHBondContact OE1-CG 3.25Å; E693-V725 WeakPolarHBondContact CA-O 3.39Å; E693-T726 HydrophobicContact CB-CG2 4.3Å; E693-T726 WeakPolarHBondContact OE2-CG2 3.34Å
694	E	87.9	Confident	91	Very high	134 Å²	134	68.5 Å²	68.5	63%	0.626	35%	0.346	S	S	*	.	H	α-helix	trans	-80.2	-39.4	-178.8	-70.1	176.8	166.6	0	0	112.8	N691 M697	N691-E694 HydrophobicContact CB-CB 4.24Å; N691-E694 VanDerWaalsContact ND2-CG 3.3Å; N691-E694 WeakPolarHBondContact ND2-CG 3.35Å; N691-E694 PolarHBondContact ND2-OE2 3.14Å; N691-E694 PolarHBondContact O-N 3.39Å; E694-M697 WeakPolarHBondContact O-CE 3.47Å
695	D	90	Very high	90.3	Very high	93 Å²	93	68.3 Å²	68.3	50%	0.497	35%	0.352	S	S	.	.	H	α-helix	trans	-83.2	-32.7	-172.8	-64.3	-43.2	0	0	0	112.7	Y688 N691	Y688-D695 HydrophobicContact CE1-CB 3.98Å; Y688-D695 WeakPolarHBondContact CE1-OD2 3.41Å; Y688-D695 PolarHBondContact OH-OD2 3.17Å; Y688-D695 VanDerWaalsContact OH-OD2 3.07Å; N691-D695 PolarHBondContact N-OD2 3.25Å; N691-D695 WeakPolarHBondContact O-CB 3.3Å; N691-D695 VanDerWaalsContact O-CG 3.3Å; N691-D695 PolarHBondContact O-N 2.89Å; N691-D695 VanDerWaalsContact O-OD2 3.08Å
696	M	88.5	Confident	89.2	Confident	69 Å²	69	69.2 Å²	69.2	34%	0.34	36%	0.357	S	S	.	.	H	α-helix	trans	-111	-27.8	-175.5	-55.6	-171.9	179.6	0	0	114.1	L685 Y688 V692 I698	L685-M696 HydrophobicContact CD1-SD 3.56Å; L685-M696 VanDerWaalsContact CD1-SD 3.56Å; Y688-M696 HydrophobicContact CD1-CE 3.88Å; Y688-M696 HydrophobicContact CD2-CE 3.78Å; Y688-M696 HydrophobicContact CE1-CE 4.17Å; Y688-M696 HydrophobicContact CE2-CE 4.12Å; Y688-M696 HydrophobicContact CG-CE 3.67Å; V692-M696 HydrophobicContact CG1-SD 4.37Å; V692-M696 WeakPolarHBondContact O-CB 3.39Å; V692-M696 PolarHBondContact O-N 3.3Å; V692-M696 VanDerWaalsContact O-N 3.11Å; M696-I698 HydrophobicContact CB-CG1 4.43Å; M696-I698 HydrophobicContact CB-CG2 4.48Å; M696-I698 PolarHBondContact O-N 3.15Å; M696-I698 VanDerWaalsContact O-N 3.07Å
697	M	89.9	Confident	87.9	Confident	151 Å²	151	70.8 Å²	70.8	74%	0.744	37%	0.368	S	S	*	.			trans	49.1	33.3	178	-62.2	-171.4	179.1	0	0	115.1	E693 E694	E693-M697 WeakPolarHBondContact O-CA 3.41Å; E693-M697 WeakPolarHBondContact O-CG 3.34Å; E693-M697 PolarHBondContact O-N 3.42Å; E694-M697 WeakPolarHBondContact O-CE 3.47Å
698	I	93	Very high	86.7	Confident	59 Å²	59	72 Å²	72	30%	0.303	37%	0.372	S	S	.	.			trans	-88.5	157.8	176.1	61.5	172	0	0	0	111.3	L685 M696 V725 F733	L685-I698 HydrophobicContact CD1-CD1 3.96Å; L685-I698 HydrophobicContact CD2-CD1 3.93Å; M696-I698 HydrophobicContact CB-CG1 4.43Å; M696-I698 HydrophobicContact CB-CG2 4.48Å; M696-I698 PolarHBondContact O-N 3.15Å; M696-I698 VanDerWaalsContact O-N 3.07Å; I698-V725 HydrophobicContact CD1-CB 4.14Å; I698-V725 HydrophobicContact CD1-CG1 4.44Å; I698-V725 HydrophobicContact CD1-CG2 4.03Å; I698-V725 HydrophobicContact CG1-CB 3.77Å; I698-V725 HydrophobicContact CG1-CG2 3.75Å; I698-V725 PolarHBondContact O-N 3.11Å; I698-F733 HydrophobicContact CD1-CE1 4.13Å; I698-F733 HydrophobicContact CD1-CZ 4.37Å
699	T	94	Very high	85.7	Confident	42 Å²	42	70.6 Å²	70.6	26%	0.258	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-126.2	176.4	-180	67.6	0	0	0	0	111.2	Q701 G720 I723 F733	T699-Q701 PolarHBondContact O-N 3.45Å; T699-Q701 VanDerWaalsContact O-N 3.11Å; T699-Q701 PolarHBondContact OG1-N 3.3Å; T699-G720 WeakPolarHBondContact CB-O 3.47Å; T699-G720 PolarHBondContact OG1-O 3.49Å; T699-I723 CarbonylContact C-O 3.6Å; T699-I723 WeakPolarHBondContact CA-O 3.24Å; T699-I723 VanDerWaalsContact CB-O 3.29Å; T699-I723 WeakPolarHBondContact CB-O 3.33Å; T699-F733 VanDerWaalsContact O-CE2 3.23Å; T699-F733 WeakPolarHBondContact O-CE2 3.41Å
700	F	94.1	Very high	85.3	Confident	1 Å²	1	65.9 Å²	65.9	0%	0.004	36%	0.362	C	S	.	.	S	Bend	trans	-73.6	11.3	174.2	-80.4	-110.2	0	0	0	113.7	L716 R717 G720 I723 V725 N729 F733 L736	F700-L716 WeakPolarHBondContact O-CB 3.42Å; F700-L716 PolarHBondContact O-N 2.76Å; F700-R717 HydrophobicContact CD1-CB 4.2Å; F700-G720 PolarHBondContact N-O 3.2Å; F700-G720 VanDerWaalsContact N-O 3.16Å; F700-I723 HydrophobicContact CB-CB 4.43Å; F700-I723 HydrophobicContact CD2-CB 4.05Å; F700-I723 HydrophobicContact CD2-CG2 3.52Å; F700-I723 HydrophobicContact CE2-CG2 3.83Å; F700-I723 HydrophobicContact CG-CB 4.48Å; F700-I723 HydrophobicContact CG-CG2 4.24Å; F700-I723 PolarHBondContact N-O 3.4Å; F700-V725 HydrophobicContact CD2-CG2 4.04Å; F700-V725 HydrophobicContact CE2-CG2 4.01Å; F700-N729 HydrophobicContact CE2-CB 4.41Å; F700-N729 HydrophobicContact CZ-CB 4.19Å; F700-F733 HydrophobicContact CD1-CD2 4.17Å; F700-F733 HydrophobicContact CD2-CD2 4.33Å; F700-F733 HydrophobicContact CE1-CB 3.9Å; F700-F733 HydrophobicContact CE1-CD2 4.38Å; F700-F733 HydrophobicContact CE2-CB 4.22Å; F700-F733 HydrophobicContact CG-CD2 4.15Å; F700-F733 HydrophobicContact CZ-CB 3.73Å; F700-L736 HydrophobicContact CD1-CD1 4.15Å; F700-L736 HydrophobicContact CE1-CD1 4.02Å
701	Q	94.3	Very high	84.9	Confident	69 Å²	69	73.6 Å²	73.6	32%	0.322	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.3	169.3	-178.2	172.6	95.9	0	0	110.3	T699 M713 Y714 D715 G720	T699-Q701 PolarHBondContact O-N 3.45Å; T699-Q701 VanDerWaalsContact O-N 3.11Å; T699-Q701 PolarHBondContact OG1-N 3.3Å; Q701-M713 HydrophobicContact CG-CB 4.09Å; Q701-Y714 WeakPolarHBondContact CA-O 3.45Å; Q701-D715 WeakPolarHBondContact CB-OD1 3.17Å; Q701-D715 WeakPolarHBondContact CG-OD1 3.5Å; Q701-D715 PolarHBondContact NE2-OD1 2.83Å; Q701-G720 PolarHBondContact N-O 2.6Å
702	I	92.8	Very high	84.7	Confident	10 Å²	10	75.2 Å²	75.2	5%	0.051	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	154.9	179.3	57.7	168.8	0	0	0	111	M713 Y714 L716 F733 Y737 Y740	I702-M713 CarbonylContact O-C 3.5Å; I702-M713 WeakPolarHBondContact O-CA 3.46Å; I702-Y714 HydrophobicContact CD1-CD1 4.4Å; I702-Y714 HydrophobicContact CG1-CD1 4.39Å; I702-Y714 WeakPolarHBondContact CG1-O 3.34Å; I702-Y714 PolarHBondContact N-O 3.43Å; I702-Y714 PolarHBondContact O-N 3.37Å; I702-L716 HydrophobicContact CD1-CD1 4.44Å; I702-L716 HydrophobicContact CD1-CD2 3.67Å; I702-L716 HydrophobicContact CD1-CG 4.1Å; I702-L716 HydrophobicContact CG1-CD2 4.23Å; I702-L716 HydrophobicContact CG1-CG 4.16Å; I702-L716 HydrophobicContact CG2-CD1 3.85Å; I702-L716 HydrophobicContact CG2-CG 4.28Å; I702-F733 HydrophobicContact CG2-CE2 4.1Å; I702-F733 HydrophobicContact CG2-CZ 4.09Å; I702-Y737 HydrophobicContact CB-CE2 4.38Å; I702-Y737 HydrophobicContact CD1-CD2 3.61Å; I702-Y737 HydrophobicContact CD1-CE2 3.47Å; I702-Y737 VanDerWaalsContact CD1-CE2 3.47Å; I702-Y737 HydrophobicContact CD1-CG 4.39Å; I702-Y737 HydrophobicContact CG2-CD1 3.94Å; I702-Y737 HydrophobicContact CG2-CD2 4.41Å; I702-Y737 HydrophobicContact CG2-CE1 3.71Å; I702-Y737 HydrophobicContact CG2-CE2 4.22Å; I702-Y737 HydrophobicContact CG2-CG 4.31Å; I702-Y740 HydrophobicContact CD1-CD1 3.36Å; I702-Y740 HydrophobicContact CD1-CE1 3.47Å; I702-Y740 VanDerWaalsContact CD1-CE1 3.47Å; I702-Y740 HydrophobicContact CD1-CG 4.38Å; I702-Y740 HydrophobicContact CG1-CE1 4.48Å
703	S	89.1	Confident	84.6	Confident	54 Å²	54	80.7 Å²	80.7	38%	0.378	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.5	175.2	66.4	0	0	0	0	111.5	L712	S703-L712 CarbonylContact C-O 3.53Å; S703-L712 WeakPolarHBondContact CA-O 3.28Å
704	Q	82	Confident	84.6	Confident	34 Å²	34	80.7 Å²	80.7	16%	0.159	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	149.7	161.7	-70.2	-156.2	-14.4	0	0	110.3	R711 L712 Y740	Q704-R711 CarbonylContact O-C 3.38Å; Q704-R711 WeakPolarHBondContact O-CA 3.21Å; Q704-L712 PolarHBondContact N-O 3.33Å; Q704-L712 PolarHBondContact O-N 3.45Å; Q704-Y740 HydrophobicContact CG-CE1 4.02Å; Q704-Y740 PolarHBondContact NE2-OH 2.73Å
705	T	78.7	Confident	84.9	Confident	98 Å²	98	77.3 Å²	77.3	60%	0.601	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.8	170.8	-54.1	0	0	0	0	108.4	N710	T705-N710 WeakPolarHBondContact CA-O 3.24Å
706	D	69.6	Low	85	Confident	25 Å²	25	73.8 Å²	73.8	13%	0.134	38%	0.382	C	S	.	.			trans	-66.1	155.4	174.5	-165.5	45.8	0	0	0	110.4	S624 F708 G709 N710 L712	S624-D706 VanDerWaalsContact CB-OD1 3.23Å; S624-D706 WeakPolarHBondContact CB-OD1 3.16Å; S624-D706 PolarHBondContact OG-OD1 3.37Å; D706-F708 PolarHBondContact O-N 3.15Å; D706-F708 WeakPolarHBondContact OD2-CD2 3.16Å; D706-G709 WeakPolarHBondContact O-CA 3.47Å; D706-G709 PolarHBondContact O-N 3.01Å; D706-N710 HydrophobicContact CB-CB 4.1Å; D706-N710 WeakPolarHBondContact CB-O 2.85Å; D706-N710 PolarHBondContact N-O 3.48Å; D706-L712 HydrophobicContact CB-CD1 4.02Å
707	P	63.2	Low	85	Confident	77 Å²	77	77.1 Å²	77.1	50%	0.5	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.4	179.7	-28.8	37.6	0	0	0	114.7	S624 G709	S624-P707 VanDerWaalsContact CB-CD 3.43Å; P707-G709 VanDerWaalsContact C-N 3.3Å; P707-G709 PolarHBondContact O-N 3.18Å
708	F	69.1	Low	85	Confident	144 Å²	144	78 Å²	78	63%	0.632	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	8.1	173.1	-56.2	-67.3	0	0	0	114.6	F626 D706 N710	F626-F708 AromaticContact CE2-CE2 3.63Å; F626-F708 HydrophobicContact CE2-CE2 3.63Å; F626-F708 HydrophobicContact CE2-CZ 4.08Å; F626-F708 AromaticContact CZ-CE2 3.77Å; F626-F708 HydrophobicContact CZ-CE2 3.77Å; D706-F708 PolarHBondContact O-N 3.15Å; D706-F708 WeakPolarHBondContact OD2-CD2 3.16Å; F708-N710 VanDerWaalsContact C-N 3.31Å; F708-N710 PolarHBondContact O-N 3.35Å
709	G	72.1	Confident	84.9	Confident	51 Å²	51	79.6 Å²	79.6	53%	0.526	40%	0.402	S	S	.	.	S	Bend	trans	79.6	5.1	-179.4	0	0	0	0	0	115.1	D706 P707	D706-G709 WeakPolarHBondContact O-CA 3.47Å; D706-G709 PolarHBondContact O-N 3.01Å; P707-G709 VanDerWaalsContact C-N 3.3Å; P707-G709 PolarHBondContact O-N 3.18Å
710	N	81.5	Confident	84.6	Confident	96 Å²	96	77.6 Å²	77.6	51%	0.513	39%	0.39	S	S	.	.			trans	-76	136.1	179.2	-64.1	-49.8	0	0	0	110.8	T705 D706 F708	T705-N710 WeakPolarHBondContact CA-O 3.24Å; D706-N710 HydrophobicContact CB-CB 4.1Å; D706-N710 WeakPolarHBondContact CB-O 2.85Å; D706-N710 PolarHBondContact N-O 3.48Å; F708-N710 VanDerWaalsContact C-N 3.31Å; F708-N710 PolarHBondContact O-N 3.35Å
711	R	83.3	Confident	84.4	Confident	191 Å²	191	80.9 Å²	80.9	72%	0.721	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.3	174.9	-65.6	-174.3	-177.9	-165.1	-1.3	110.5	Q704	Q704-R711 CarbonylContact O-C 3.38Å; Q704-R711 WeakPolarHBondContact O-CA 3.21Å
712	L	84.6	Confident	84.3	Confident	91 Å²	91	84.1 Å²	84.1	48%	0.476	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.4	172.8	-69.5	165	0	0	0	108.6	S703 Q704 D706	S703-L712 CarbonylContact C-O 3.53Å; S703-L712 WeakPolarHBondContact CA-O 3.28Å; Q704-L712 PolarHBondContact N-O 3.33Å; Q704-L712 PolarHBondContact O-N 3.45Å; D706-L712 HydrophobicContact CB-CD1 4.02Å
713	M	89.4	Confident	84.3	Confident	115 Å²	115	85.9 Å²	85.9	57%	0.567	43%	0.429	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.1	173.4	-59.5	-53.9	-173.7	0	0	109.8	Q701 I702	Q701-M713 HydrophobicContact CG-CB 4.09Å; I702-M713 CarbonylContact O-C 3.5Å; I702-M713 WeakPolarHBondContact O-CA 3.46Å
714	Y	89.9	Confident	84.5	Confident	90 Å²	90	85.4 Å²	85.4	35%	0.353	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	126.8	176.8	-176.2	-90.9	0	0	0	109.9	Q701 I702 L716 Y740	Q701-Y714 WeakPolarHBondContact CA-O 3.45Å; I702-Y714 HydrophobicContact CD1-CD1 4.4Å; I702-Y714 HydrophobicContact CG1-CD1 4.39Å; I702-Y714 WeakPolarHBondContact CG1-O 3.34Å; I702-Y714 PolarHBondContact N-O 3.43Å; I702-Y714 PolarHBondContact O-N 3.37Å; Y714-L716 HydrophobicContact CD1-CD2 4.1Å; Y714-L716 HydrophobicContact CE1-CD2 4.12Å; Y714-Y740 HydrophobicContact CD1-CD1 4.24Å; Y714-Y740 AromaticContact CD1-CD2 3.81Å; Y714-Y740 HydrophobicContact CD1-CD2 3.81Å; Y714-Y740 AromaticContact CD1-CE1 3.97Å; Y714-Y740 HydrophobicContact CD1-CE1 3.97Å; Y714-Y740 AromaticContact CD1-CE2 3.56Å; Y714-Y740 HydrophobicContact CD1-CE2 3.56Å; Y714-Y740 HydrophobicContact CD1-CG 4.14Å; Y714-Y740 AromaticContact CD1-CZ 3.63Å; Y714-Y740 AromaticContact CD2-CE2 3.71Å; Y714-Y740 HydrophobicContact CD2-CE2 3.71Å; Y714-Y740 AromaticContact CD2-CZ 3.84Å; Y714-Y740 HydrophobicContact CE1-CD1 4.46Å; Y714-Y740 AromaticContact CE1-CD2 3.32Å; Y714-Y740 HydrophobicContact CE1-CD2 3.32Å; Y714-Y740 HydrophobicContact CE1-CE1 4.47Å; Y714-Y740 AromaticContact CE1-CE2 3.4Å; Y714-Y740 HydrophobicContact CE1-CE2 3.4Å; Y714-Y740 AromaticContact CE1-CG 3.9Å; Y714-Y740 HydrophobicContact CE1-CG 3.9Å; Y714-Y740 AromaticContact CE1-CZ 3.98Å; Y714-Y740 HydrophobicContact CE2-CD2 4.2Å; Y714-Y740 AromaticContact CE2-CE2 3.55Å; Y714-Y740 HydrophobicContact CE2-CE2 3.55Å; Y714-Y740 HydrophobicContact CG-CD2 4.42Å; Y714-Y740 HydrophobicContact CG-CE1 4.17Å; Y714-Y740 AromaticContact CG-CE2 3.71Å; Y714-Y740 HydrophobicContact CG-CE2 3.71Å; Y714-Y740 AromaticContact CG-CZ 3.54Å; Y714-Y740 AromaticContact CZ-CD2 3.54Å; Y714-Y740 AromaticContact CZ-CE2 3.38Å
715	D	93.2	Very high	85	Confident	64 Å²	64	83.8 Å²	83.8	34%	0.342	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	112.3	176.1	-73.6	-15.7	0	0	0	109.4	Q701 R717	Q701-D715 WeakPolarHBondContact CB-OD1 3.17Å; Q701-D715 WeakPolarHBondContact CG-OD1 3.5Å; Q701-D715 PolarHBondContact NE2-OD1 2.83Å; D715-R717 PolarHBondContact O-N 3.44Å
716	L	91.7	Very high	85.7	Confident	18 Å²	18	80.4 Å²	80.4	9%	0.094	40%	0.397	C	S	.	.	S	Bend	trans	-65.1	-21.2	176.4	-67.3	175.6	0	0	0	112.7	F700 I702 Y714 F733 L736 Y737 Y740	F700-L716 WeakPolarHBondContact O-CB 3.42Å; F700-L716 PolarHBondContact O-N 2.76Å; I702-L716 HydrophobicContact CD1-CD1 4.44Å; I702-L716 HydrophobicContact CD1-CD2 3.67Å; I702-L716 HydrophobicContact CD1-CG 4.1Å; I702-L716 HydrophobicContact CG1-CD2 4.23Å; I702-L716 HydrophobicContact CG1-CG 4.16Å; I702-L716 HydrophobicContact CG2-CD1 3.85Å; I702-L716 HydrophobicContact CG2-CG 4.28Å; Y714-L716 HydrophobicContact CD1-CD2 4.1Å; Y714-L716 HydrophobicContact CE1-CD2 4.12Å; L716-F733 HydrophobicContact CD1-CD2 3.88Å; L716-F733 HydrophobicContact CD1-CE2 3.7Å; L716-F733 HydrophobicContact CD1-CZ 4.48Å; L716-L736 HydrophobicContact CB-CB 4.17Å; L716-L736 HydrophobicContact CD1-CB 4.41Å; L716-Y737 HydrophobicContact CD1-CG 4.22Å; L716-Y740 HydrophobicContact CD2-CD1 4.26Å; L716-Y740 HydrophobicContact CD2-CG 4.08Å
717	R	90.2	Very high	86.8	Confident	139 Å²	139	82 Å²	82	53%	0.525	41%	0.406	S	S	.	.	S	Bend	trans	-146.8	154	178.6	-169.5	174.6	-173.5	170.1	5.4	109.3	F700 D715 N719 G720	F700-R717 HydrophobicContact CD1-CB 4.2Å; D715-R717 PolarHBondContact O-N 3.44Å; R717-N719 PolarHBondContact O-N 3.36Å; R717-G720 WeakPolarHBondContact O-CA 3.25Å; R717-G720 PolarHBondContact O-N 2.89Å
718	E	89.6	Confident	88.1	Confident	169 Å²	169	86.9 Å²	86.9	79%	0.79	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	125.7	175.7	-61.2	-176.7	171.2	0	0	112.4	G720 I723	E718-G720 VanDerWaalsContact C-N 3.33Å; E718-I723 WeakPolarHBondContact O-CD1 3.3Å
719	N	89.6	Confident	89.3	Confident	94 Å²	94	81.6 Å²	81.6	50%	0.503	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	59	38.1	-172.8	-51.5	-88.3	0	0	0	113.6	R717 D721 K722	R717-N719 PolarHBondContact O-N 3.36Å; N719-D721 WeakPolarHBondContact CA-OD1 3.45Å; N719-D721 PolarHBondContact O-N 2.91Å; N719-D721 VanDerWaalsContact O-N 3.11Å; N719-K722 PolarHBondContact O-N 3.35Å
720	G	88.4	Confident	90.2	Very high	0 Å²	0	80.9 Å²	80.9	0%	0	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-55.3	-27.7	178.4	0	0	0	0	0	113.6	T699 F700 Q701 R717 E718 K722 I723	T699-G720 WeakPolarHBondContact CB-O 3.47Å; T699-G720 PolarHBondContact OG1-O 3.49Å; F700-G720 PolarHBondContact N-O 3.2Å; F700-G720 VanDerWaalsContact N-O 3.16Å; Q701-G720 PolarHBondContact N-O 2.6Å; R717-G720 WeakPolarHBondContact O-CA 3.25Å; R717-G720 PolarHBondContact O-N 2.89Å; E718-G720 VanDerWaalsContact C-N 3.33Å; G720-K722 PolarHBondContact O-N 2.86Å; G720-I723 PolarHBondContact O-N 3.25Å
721	D	91.1	Very high	90.7	Very high	70 Å²	70	83.2 Å²	83.2	37%	0.374	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.4	172	74.3	-40.3	0	0	0	114.7	N719	N719-D721 WeakPolarHBondContact CA-OD1 3.45Å; N719-D721 PolarHBondContact O-N 2.91Å; N719-D721 VanDerWaalsContact O-N 3.11Å
722	K	91.3	Very high	91.2	Very high	136 Å²	136	78.2 Å²	78.2	59%	0.591	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-107.8	-5.1	-175.1	-69.4	171.9	-153.9	76.4	0	114.2	N719 G720 P724	N719-K722 PolarHBondContact O-N 3.35Å; G720-K722 PolarHBondContact O-N 2.86Å; K722-P724 WeakPolarHBondContact O-CD 3.47Å
723	I	92.9	Very high	91.6	Very high	47 Å²	47	74.4 Å²	74.4	24%	0.241	35%	0.354	C	S	.	.			trans	-101.4	104.4	-177.5	-58.7	168.9	0	0	0	107.7	T699 F700 E718 G720	T699-I723 CarbonylContact C-O 3.6Å; T699-I723 WeakPolarHBondContact CA-O 3.24Å; T699-I723 VanDerWaalsContact CB-O 3.29Å; T699-I723 WeakPolarHBondContact CB-O 3.33Å; F700-I723 HydrophobicContact CB-CB 4.43Å; F700-I723 HydrophobicContact CD2-CB 4.05Å; F700-I723 HydrophobicContact CD2-CG2 3.52Å; F700-I723 HydrophobicContact CE2-CG2 3.83Å; F700-I723 HydrophobicContact CG-CB 4.48Å; F700-I723 HydrophobicContact CG-CG2 4.24Å; F700-I723 PolarHBondContact N-O 3.4Å; E718-I723 WeakPolarHBondContact O-CD1 3.3Å; G720-I723 PolarHBondContact O-N 3.25Å
724	P	92.8	Very high	91.8	Very high	45 Å²	45	69.2 Å²	69.2	29%	0.292	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-69.3	151	174	29.9	-34.2	0	0	0	110.8	E693 K722 N729	E693-P724 HydrophobicContact CG-CB 4.09Å; E693-P724 WeakPolarHBondContact OE1-CG 3.25Å; K722-P724 WeakPolarHBondContact O-CD 3.47Å; P724-N729 PolarHBondContact O-ND2 3Å
725	V	93.7	Very high	91.9	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.331	C	S	.	.			trans	-83.4	129.9	170.1	-171.9	0	0	0	0	108.9	V692 E693 I698 F700 N729 R730 F733	V692-V725 HydrophobicContact CG1-CB 4.33Å; V692-V725 HydrophobicContact CG1-CG1 4.05Å; E693-V725 WeakPolarHBondContact CA-O 3.39Å; I698-V725 HydrophobicContact CD1-CB 4.14Å; I698-V725 HydrophobicContact CD1-CG1 4.44Å; I698-V725 HydrophobicContact CD1-CG2 4.03Å; I698-V725 HydrophobicContact CG1-CB 3.77Å; I698-V725 HydrophobicContact CG1-CG2 3.75Å; I698-V725 PolarHBondContact O-N 3.11Å; F700-V725 HydrophobicContact CD2-CG2 4.04Å; F700-V725 HydrophobicContact CE2-CG2 4.01Å; V725-N729 VanDerWaalsContact CA-OD1 3.24Å; V725-N729 WeakPolarHBondContact CA-OD1 3.26Å; V725-N729 WeakPolarHBondContact CG1-OD1 3.49Å; V725-R730 HydrophobicContact CG1-CB 3.83Å; V725-F733 HydrophobicContact CG1-CB 4.13Å; V725-F733 HydrophobicContact CG1-CG 4.3Å; V725-F733 HydrophobicContact CG2-CB 4.18Å; V725-F733 HydrophobicContact CG2-CD1 4.32Å; V725-F733 HydrophobicContact CG2-CD2 3.66Å; V725-F733 HydrophobicContact CG2-CE2 4.09Å; V725-F733 HydrophobicContact CG2-CG 3.78Å
726	T	92.9	Very high	91.9	Very high	26 Å²	26	66.3 Å²	66.3	16%	0.16	33%	0.326	C	S	.	.			trans	-125.2	167.6	-178.3	74.4	0	0	0	0	109.9	E693 E728 N729 R730	E693-T726 HydrophobicContact CB-CG2 4.3Å; E693-T726 WeakPolarHBondContact OE2-CG2 3.34Å; T726-E728 PolarHBondContact O-N 3.15Å; T726-E728 VanDerWaalsContact O-N 3.08Å; T726-E728 PolarHBondContact OG1-N 3.33Å; T726-N729 PolarHBondContact N-OD1 2.88Å; T726-N729 PolarHBondContact O-N 2.67Å; T726-N729 PolarHBondContact O-OD1 3.21Å; T726-N729 PolarHBondContact OG1-N 2.61Å; T726-R730 WeakPolarHBondContact O-CB 3.28Å; T726-R730 PolarHBondContact O-N 2.8Å
727	N	91.6	Very high	91.9	Very high	60 Å²	60	67.5 Å²	67.5	32%	0.321	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.2	176.9	-65.6	59.2	0	0	0	113.6	G690 V692 R730	G690-N727 PolarHBondContact O-ND2 3.43Å; G690-N727 PolarHBondContact O-OD1 2.85Å; V692-N727 PolarHBondContact N-OD1 3.33Å; N727-R730 PolarHBondContact O-NE 3.32Å
728	E	92.2	Very high	92.1	Very high	179 Å²	179	61 Å²	61	84%	0.836	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-48.1	176.3	-60.7	-176.9	171.8	0	0	112.1	T726	T726-E728 PolarHBondContact O-N 3.15Å; T726-E728 VanDerWaalsContact O-N 3.08Å; T726-E728 PolarHBondContact OG1-N 3.33Å
729	N	93.2	Very high	92.1	Very high	32 Å²	32	55.9 Å²	55.9	17%	0.171	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-5.7	-171.4	74.9	22.9	0	0	0	114.4	F700 P724 V725 T726 K731 D732 F733	F700-N729 HydrophobicContact CE2-CB 4.41Å; F700-N729 HydrophobicContact CZ-CB 4.19Å; P724-N729 PolarHBondContact O-ND2 3Å; V725-N729 VanDerWaalsContact CA-OD1 3.24Å; V725-N729 WeakPolarHBondContact CA-OD1 3.26Å; V725-N729 WeakPolarHBondContact CG1-OD1 3.49Å; T726-N729 PolarHBondContact N-OD1 2.88Å; T726-N729 PolarHBondContact O-N 2.67Å; T726-N729 PolarHBondContact O-OD1 3.21Å; T726-N729 PolarHBondContact OG1-N 2.61Å; N729-K731 PolarHBondContact O-N 3.14Å; N729-K731 VanDerWaalsContact O-N 3.14Å; N729-D732 WeakPolarHBondContact O-CB 3.21Å; N729-D732 PolarHBondContact O-N 3.17Å; N729-F733 PolarHBondContact O-N 3.29Å
730	R	92.2	Very high	92.3	Very high	37 Å²	37	52.4 Å²	52.4	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-55.1	-31.1	-179.9	60	177.3	174.6	175.6	-3	114.7	L685 V686 Y688 V725 T726 N727 F733 V734	L685-R730 HydrophobicContact CG-CB 4.4Å; L685-R730 VanDerWaalsContact O-CD 3.27Å; L685-R730 WeakPolarHBondContact O-CD 3.45Å; L685-R730 PolarHBondContact O-NH1 3.05Å; V686-R730 PolarHBondContact O-NH1 2.98Å; V686-R730 PolarHBondContact O-NH2 3.16Å; Y688-R730 PolarHBondContact O-NH1 3.04Å; Y688-R730 PolarHBondContact O-NH2 3.09Å; V725-R730 HydrophobicContact CG1-CB 3.83Å; T726-R730 WeakPolarHBondContact O-CB 3.28Å; T726-R730 PolarHBondContact O-N 2.8Å; N727-R730 PolarHBondContact O-NE 3.32Å; R730-F733 PolarHBondContact O-N 2.73Å; R730-V734 WeakPolarHBondContact O-CG2 3.1Å; R730-V734 PolarHBondContact O-N 3.34Å
731	K	91.7	Very high	92.4	Very high	145 Å²	145	53.7 Å²	53.7	63%	0.63	27%	0.268	S	S	*	.	H	α-helix	trans	-67.2	-43.7	176.2	-68.2	-173.1	178.2	-177	0	111.1	N729 F733 V734 A735	N729-K731 PolarHBondContact O-N 3.14Å; N729-K731 VanDerWaalsContact O-N 3.14Å; K731-F733 VanDerWaalsContact C-N 3.35Å; K731-V734 PolarHBondContact O-N 3.13Å; K731-A735 WeakPolarHBondContact O-CB 3.39Å; K731-A735 PolarHBondContact O-N 2.82Å
732	D	92.9	Very high	92.4	Very high	86 Å²	86	50.4 Å²	50.4	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-64.4	-40.6	176.1	-58.6	-6.2	0	0	0	111.1	N729 A735 L736	N729-D732 WeakPolarHBondContact O-CB 3.21Å; N729-D732 PolarHBondContact O-N 3.17Å; D732-A735 PolarHBondContact O-N 2.63Å; D732-L736 WeakPolarHBondContact O-CB 3.28Å; D732-L736 WeakPolarHBondContact O-CG 3.48Å; D732-L736 PolarHBondContact O-N 3.17Å
733	F	93.8	Very high	92.4	Very high	10 Å²	10	44.6 Å²	44.6	4%	0.044	23%	0.226	C	C	.	.	H	α-helix	trans	-58.8	-49	174.2	175.5	-98.7	0	0	0	111.6	L682 L685 I698 T699 F700 I702 L716 V725 N729 R730 K731 A735 L736 Y737	L682-F733 HydrophobicContact CD2-CD1 4.44Å; L682-F733 HydrophobicContact CD2-CE1 3.99Å; L685-F733 HydrophobicContact CD2-CD1 3.59Å; L685-F733 HydrophobicContact CD2-CE1 3.79Å; I698-F733 HydrophobicContact CD1-CE1 4.13Å; I698-F733 HydrophobicContact CD1-CZ 4.37Å; T699-F733 VanDerWaalsContact O-CE2 3.23Å; T699-F733 WeakPolarHBondContact O-CE2 3.41Å; F700-F733 HydrophobicContact CD1-CD2 4.17Å; F700-F733 HydrophobicContact CD2-CD2 4.33Å; F700-F733 HydrophobicContact CE1-CB 3.9Å; F700-F733 HydrophobicContact CE1-CD2 4.38Å; F700-F733 HydrophobicContact CE2-CB 4.22Å; F700-F733 HydrophobicContact CG-CD2 4.15Å; F700-F733 HydrophobicContact CZ-CB 3.73Å; I702-F733 HydrophobicContact CG2-CE2 4.1Å; I702-F733 HydrophobicContact CG2-CZ 4.09Å; L716-F733 HydrophobicContact CD1-CD2 3.88Å; L716-F733 HydrophobicContact CD1-CE2 3.7Å; L716-F733 HydrophobicContact CD1-CZ 4.48Å; V725-F733 HydrophobicContact CG1-CB 4.13Å; V725-F733 HydrophobicContact CG1-CG 4.3Å; V725-F733 HydrophobicContact CG2-CB 4.18Å; V725-F733 HydrophobicContact CG2-CD1 4.32Å; V725-F733 HydrophobicContact CG2-CD2 3.66Å; V725-F733 HydrophobicContact CG2-CE2 4.09Å; V725-F733 HydrophobicContact CG2-CG 3.78Å; N729-F733 PolarHBondContact O-N 3.29Å; R730-F733 PolarHBondContact O-N 2.73Å; K731-F733 VanDerWaalsContact C-N 3.35Å; F733-A735 PolarHBondContact O-N 3.44Å; F733-L736 PolarHBondContact O-N 2.99Å; F733-Y737 AromaticContact CE1-CD1 3.84Å; F733-Y737 HydrophobicContact CE1-CD1 3.84Å; F733-Y737 AromaticContact CZ-CD1 3.72Å; F733-Y737 HydrophobicContact CZ-CD1 3.72Å; F733-Y737 HydrophobicContact CZ-CE1 4.21Å; F733-Y737 VanDerWaalsContact O-CB 3.29Å; F733-Y737 WeakPolarHBondContact O-CB 3.16Å; F733-Y737 PolarHBondContact O-N 2.88Å
734	V	93.5	Very high	92.3	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.036	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-40.7	179.3	170.6	0	0	0	0	111.5	F668 L682 L685 V686 R730 K731 S738	F668-V734 HydrophobicContact CB-CG1 4.37Å; F668-V734 HydrophobicContact CD1-CG1 4.25Å; F668-V734 HydrophobicContact CD2-CG1 3.52Å; F668-V734 HydrophobicContact CE1-CG1 4.49Å; F668-V734 HydrophobicContact CE2-CG1 3.83Å; F668-V734 HydrophobicContact CG-CG1 3.77Å; F668-V734 HydrophobicContact CZ-CG1 4.3Å; L682-V734 HydrophobicContact CB-CG1 4.28Å; L682-V734 HydrophobicContact CB-CG2 4.27Å; L682-V734 HydrophobicContact CD2-CG2 4Å; L685-V734 HydrophobicContact CD2-CG2 4.03Å; V686-V734 HydrophobicContact CG2-CB 4.36Å; V686-V734 HydrophobicContact CG2-CG1 4.39Å; V686-V734 HydrophobicContact CG2-CG2 3.73Å; R730-V734 WeakPolarHBondContact O-CG2 3.1Å; R730-V734 PolarHBondContact O-N 3.34Å; K731-V734 PolarHBondContact O-N 3.13Å; V734-S738 VanDerWaalsContact O-CB 3.3Å; V734-S738 WeakPolarHBondContact O-CB 3.23Å; V734-S738 PolarHBondContact O-N 3.25Å; V734-S738 PolarHBondContact O-OG 3.37Å
735	A	91.1	Very high	92.2	Very high	49 Å²	49	45 Å²	45	41%	0.405	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-51.9	175.8	0	0	0	0	0	111.6	K731 D732 F733 Y737 S738 E739	K731-A735 WeakPolarHBondContact O-CB 3.39Å; K731-A735 PolarHBondContact O-N 2.82Å; D732-A735 PolarHBondContact O-N 2.63Å; F733-A735 PolarHBondContact O-N 3.44Å; A735-Y737 PolarHBondContact O-N 3.31Å; A735-S738 PolarHBondContact O-N 3.42Å; A735-E739 WeakPolarHBondContact O-CB 3.41Å; A735-E739 PolarHBondContact O-N 2.99Å
736	L	92.8	Very high	92.1	Very high	44 Å²	44	45 Å²	45	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-38.6	179.4	-70.7	172.1	0	0	0	112.7	F700 L716 D732 F733 Y740	F700-L736 HydrophobicContact CD1-CD1 4.15Å; F700-L736 HydrophobicContact CE1-CD1 4.02Å; L716-L736 HydrophobicContact CB-CB 4.17Å; L716-L736 HydrophobicContact CD1-CB 4.41Å; D732-L736 WeakPolarHBondContact O-CB 3.28Å; D732-L736 WeakPolarHBondContact O-CG 3.48Å; D732-L736 PolarHBondContact O-N 3.17Å; F733-L736 PolarHBondContact O-N 2.99Å; L736-Y740 VanDerWaalsContact O-CB 3.26Å; L736-Y740 WeakPolarHBondContact O-CB 3.4Å; L736-Y740 PolarHBondContact O-N 2.92Å
737	Y	93.7	Very high	91.9	Very high	44 Å²	44	49 Å²	49	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-66.9	-42.7	176.8	-160.4	169.7	0	0	0	110.7	L678 L682 I702 L716 F733 A735 Y740 I741	L678-Y737 HydrophobicContact CD1-CE1 3.94Å; L678-Y737 HydrophobicContact CD1-CE2 4.45Å; L678-Y737 HydrophobicContact CD2-CE2 4.33Å; L682-Y737 HydrophobicContact CD1-CD1 4.37Å; L682-Y737 HydrophobicContact CD2-CD1 3.79Å; L682-Y737 HydrophobicContact CD2-CE1 4.32Å; I702-Y737 HydrophobicContact CB-CE2 4.38Å; I702-Y737 HydrophobicContact CD1-CD2 3.61Å; I702-Y737 HydrophobicContact CD1-CE2 3.47Å; I702-Y737 VanDerWaalsContact CD1-CE2 3.47Å; I702-Y737 HydrophobicContact CD1-CG 4.39Å; I702-Y737 HydrophobicContact CG2-CD1 3.94Å; I702-Y737 HydrophobicContact CG2-CD2 4.41Å; I702-Y737 HydrophobicContact CG2-CE1 3.71Å; I702-Y737 HydrophobicContact CG2-CE2 4.22Å; I702-Y737 HydrophobicContact CG2-CG 4.31Å; L716-Y737 HydrophobicContact CD1-CG 4.22Å; F733-Y737 AromaticContact CE1-CD1 3.84Å; F733-Y737 HydrophobicContact CE1-CD1 3.84Å; F733-Y737 AromaticContact CZ-CD1 3.72Å; F733-Y737 HydrophobicContact CZ-CD1 3.72Å; F733-Y737 HydrophobicContact CZ-CE1 4.21Å; F733-Y737 VanDerWaalsContact O-CB 3.29Å; F733-Y737 WeakPolarHBondContact O-CB 3.16Å; F733-Y737 PolarHBondContact O-N 2.88Å; A735-Y737 PolarHBondContact O-N 3.31Å; Y737-Y740 PolarHBondContact O-N 3.28Å; Y737-I741 HydrophobicContact CD2-CD1 4.45Å; Y737-I741 HydrophobicContact CD2-CG1 3.76Å; Y737-I741 HydrophobicContact CE2-CD1 4.02Å; Y737-I741 HydrophobicContact CE2-CG1 3.74Å; Y737-I741 WeakPolarHBondContact O-CG1 3.39Å; Y737-I741 PolarHBondContact O-N 2.8Å
738	S	92.4	Very high	91.9	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-45.3	176.2	-55.3	0	0	0	0	112.1	F668 L671 V734 A735 Y740 I741 L742	F668-S738 WeakPolarHBondContact CA-OG 3.14Å; F668-S738 WeakPolarHBondContact CB-OG 3.45Å; L671-S738 WeakPolarHBondContact CD1-OG 3.41Å; V734-S738 VanDerWaalsContact O-CB 3.3Å; V734-S738 WeakPolarHBondContact O-CB 3.23Å; V734-S738 PolarHBondContact O-N 3.25Å; V734-S738 PolarHBondContact O-OG 3.37Å; A735-S738 PolarHBondContact O-N 3.42Å; S738-Y740 VanDerWaalsContact C-N 3.32Å; S738-Y740 PolarHBondContact O-N 2.96Å; S738-I741 PolarHBondContact O-N 3.24Å; S738-L742 WeakPolarHBondContact O-CB 3.25Å; S738-L742 PolarHBondContact O-N 2.87Å
739	E	91.4	Very high	91.9	Very high	62 Å²	62	45.8 Å²	45.8	29%	0.29	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-41	176	-170	-154.3	177	0	0	111.4	A735 N743 K744	A735-E739 WeakPolarHBondContact O-CB 3.41Å; A735-E739 PolarHBondContact O-N 2.99Å; E739-N743 WeakPolarHBondContact O-CA 3.48Å; E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.43Å; E739-N743 PolarHBondContact O-N 3.42Å; E739-K744 VanDerWaalsContact CD-CE 3.44Å; E739-K744 PolarHBondContact O-N 3.29Å; E739-K744 VanDerWaalsContact O-N 3.15Å; E739-K744 WeakPolarHBondContact OE1-CE 3.46Å; E739-K744 IonicContact OE1-NZ 2.67Å; E739-K744 PolarHBondContact OE1-NZ 3.12Å; E739-K744 IonicContact OE2-NZ 3.81Å; E739-K744 PolarHBondContact OE2-NZ 2.75Å
740	Y	92.1	Very high	91.8	Very high	21 Å²	21	44.6 Å²	44.6	8%	0.082	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-50.7	177.6	173.4	-111.3	0	0	0	112	I702 Q704 Y714 L716 L736 Y737 S738 K744 S745	I702-Y740 HydrophobicContact CD1-CD1 3.36Å; I702-Y740 HydrophobicContact CD1-CE1 3.47Å; I702-Y740 VanDerWaalsContact CD1-CE1 3.47Å; I702-Y740 HydrophobicContact CD1-CG 4.38Å; I702-Y740 HydrophobicContact CG1-CE1 4.48Å; Q704-Y740 HydrophobicContact CG-CE1 4.02Å; Q704-Y740 PolarHBondContact NE2-OH 2.73Å; Y714-Y740 HydrophobicContact CD1-CD1 4.24Å; Y714-Y740 AromaticContact CD1-CD2 3.81Å; Y714-Y740 HydrophobicContact CD1-CD2 3.81Å; Y714-Y740 AromaticContact CD1-CE1 3.97Å; Y714-Y740 HydrophobicContact CD1-CE1 3.97Å; Y714-Y740 AromaticContact CD1-CE2 3.56Å; Y714-Y740 HydrophobicContact CD1-CE2 3.56Å; Y714-Y740 HydrophobicContact CD1-CG 4.14Å; Y714-Y740 AromaticContact CD1-CZ 3.63Å; Y714-Y740 AromaticContact CD2-CE2 3.71Å; Y714-Y740 HydrophobicContact CD2-CE2 3.71Å; Y714-Y740 AromaticContact CD2-CZ 3.84Å; Y714-Y740 HydrophobicContact CE1-CD1 4.46Å; Y714-Y740 AromaticContact CE1-CD2 3.32Å; Y714-Y740 HydrophobicContact CE1-CD2 3.32Å; Y714-Y740 HydrophobicContact CE1-CE1 4.47Å; Y714-Y740 AromaticContact CE1-CE2 3.4Å; Y714-Y740 HydrophobicContact CE1-CE2 3.4Å; Y714-Y740 AromaticContact CE1-CG 3.9Å; Y714-Y740 HydrophobicContact CE1-CG 3.9Å; Y714-Y740 AromaticContact CE1-CZ 3.98Å; Y714-Y740 HydrophobicContact CE2-CD2 4.2Å; Y714-Y740 AromaticContact CE2-CE2 3.55Å; Y714-Y740 HydrophobicContact CE2-CE2 3.55Å; Y714-Y740 HydrophobicContact CG-CD2 4.42Å; Y714-Y740 HydrophobicContact CG-CE1 4.17Å; Y714-Y740 AromaticContact CG-CE2 3.71Å; Y714-Y740 HydrophobicContact CG-CE2 3.71Å; Y714-Y740 AromaticContact CG-CZ 3.54Å; Y714-Y740 AromaticContact CZ-CD2 3.54Å; Y714-Y740 AromaticContact CZ-CE2 3.38Å; L716-Y740 HydrophobicContact CD2-CD1 4.26Å; L716-Y740 HydrophobicContact CD2-CG 4.08Å; L736-Y740 VanDerWaalsContact O-CB 3.26Å; L736-Y740 WeakPolarHBondContact O-CB 3.4Å; L736-Y740 PolarHBondContact O-N 2.92Å; Y737-Y740 PolarHBondContact O-N 3.28Å; S738-Y740 VanDerWaalsContact C-N 3.32Å; S738-Y740 PolarHBondContact O-N 2.96Å; Y740-K744 HydrophobicContact CD2-CB 4.01Å; Y740-K744 PolarHBondContact O-N 3.42Å; Y740-S745 WeakPolarHBondContact O-CB 3.42Å; Y740-S745 PolarHBondContact O-N 3.42Å; Y740-S745 PolarHBondContact O-OG 3.31Å; Y740-S745 VanDerWaalsContact O-OG 3.13Å
741	I	91.6	Very high	91.8	Very high	26 Å²	26	47 Å²	47	13%	0.133	23%	0.226	C	C	.	.	H	α-helix	trans	-67.1	-43.7	-177.4	-67.5	-63.7	0	0	0	112.5	L671 L678 Y737 S738 S745	L671-I741 HydrophobicContact CD2-CB 4.45Å; L671-I741 HydrophobicContact CD2-CG2 3.93Å; L678-I741 HydrophobicContact CD2-CG1 4.09Å; Y737-I741 HydrophobicContact CD2-CD1 4.45Å; Y737-I741 HydrophobicContact CD2-CG1 3.76Å; Y737-I741 HydrophobicContact CE2-CD1 4.02Å; Y737-I741 HydrophobicContact CE2-CG1 3.74Å; Y737-I741 WeakPolarHBondContact O-CG1 3.39Å; Y737-I741 PolarHBondContact O-N 2.8Å; S738-I741 PolarHBondContact O-N 3.24Å; I741-S745 PolarHBondContact O-OG 2.98Å; I741-S745 VanDerWaalsContact O-OG 3.05Å
742	L	91.8	Very high	91.8	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-88.8	-20.2	-172.6	-66.4	174.9	0	0	0	114.3	W620 V656 K660 T667 D670 L671 A674 S738	W620-L742 HydrophobicContact CH2-CD2 3.81Å; W620-L742 HydrophobicContact CZ2-CD2 4.09Å; W620-L742 HydrophobicContact CZ3-CD2 4.42Å; V656-L742 HydrophobicContact CG1-CD2 4.22Å; V656-L742 HydrophobicContact CG2-CD1 4.32Å; V656-L742 HydrophobicContact CG2-CD2 4.28Å; K660-L742 VanDerWaalsContact CE-O 3.26Å; K660-L742 WeakPolarHBondContact CE-O 3.16Å; K660-L742 PolarHBondContact NZ-O 2.81Å; T667-L742 WeakPolarHBondContact O-CD1 3.39Å; D670-L742 HydrophobicContact CB-CD1 3.83Å; L671-L742 HydrophobicContact CD2-CD1 3.9Å; L671-L742 HydrophobicContact CD2-CD2 3.89Å; L671-L742 HydrophobicContact CD2-CG 3.75Å; L671-L742 HydrophobicContact CG-CD1 3.96Å; L671-L742 HydrophobicContact CG-CG 4.34Å; A674-L742 HydrophobicContact CB-CD2 4.08Å; S738-L742 WeakPolarHBondContact O-CB 3.25Å; S738-L742 PolarHBondContact O-N 2.87Å
743	N	91.2	Very high	91.8	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.08	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-67.4	-175.8	-48.1	-59	0	0	0	111.6	K660 G666 E739 S745 V746 E747	K660-N743 PolarHBondContact NZ-OD1 3.05Å; G666-N743 PolarHBondContact N-OD1 3.02Å; G666-N743 PolarHBondContact O-ND2 3.24Å; E739-N743 WeakPolarHBondContact O-CA 3.48Å; E739-N743 VanDerWaalsContact O-CB 3.27Å; E739-N743 WeakPolarHBondContact O-CB 3.43Å; E739-N743 PolarHBondContact O-N 3.42Å; N743-S745 PolarHBondContact O-N 2.82Å; N743-V746 PolarHBondContact O-N 3.39Å; N743-E747 WeakPolarHBondContact O-CA 3.5Å; N743-E747 PolarHBondContact O-N 3.45Å; N743-E747 VanDerWaalsContact O-N 3.09Å
744	K	90.7	Very high	91.7	Very high	82 Å²	82	37.7 Å²	37.7	36%	0.357	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-67.4	-38.2	-168.6	-63.9	168.9	168.9	158.3	0	113.9	E739 Y740 V746	E739-K744 VanDerWaalsContact CD-CE 3.44Å; E739-K744 PolarHBondContact O-N 3.29Å; E739-K744 VanDerWaalsContact O-N 3.15Å; E739-K744 WeakPolarHBondContact OE1-CE 3.46Å; E739-K744 IonicContact OE1-NZ 2.67Å; E739-K744 PolarHBondContact OE1-NZ 3.12Å; E739-K744 IonicContact OE2-NZ 3.81Å; E739-K744 PolarHBondContact OE2-NZ 2.75Å; Y740-K744 HydrophobicContact CD2-CB 4.01Å; Y740-K744 PolarHBondContact O-N 3.42Å; K744-V746 PolarHBondContact O-N 3.35Å
745	S	90.1	Very high	91.4	Very high	17 Å²	17	42.8 Å²	42.8	12%	0.119	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-72.8	-16.8	-176.2	68	0	0	0	0	113.9	S623 Y740 I741 N743	S623-S745 WeakPolarHBondContact CA-O 3.27Å; S623-S745 WeakPolarHBondContact CB-O 3.41Å; Y740-S745 WeakPolarHBondContact O-CB 3.42Å; Y740-S745 PolarHBondContact O-N 3.42Å; Y740-S745 PolarHBondContact O-OG 3.31Å; Y740-S745 VanDerWaalsContact O-OG 3.13Å; I741-S745 PolarHBondContact O-OG 2.98Å; I741-S745 VanDerWaalsContact O-OG 3.05Å; N743-S745 PolarHBondContact O-N 2.82Å
746	V	91.1	Very high	91.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-123.5	13.4	-178.2	-60.3	0	0	0	0	112.1	W620 F621 N743 K744 K748 Q749 F750	W620-V746 HydrophobicContact CH2-CG2 4.35Å; W620-V746 HydrophobicContact CZ2-CG1 4.13Å; W620-V746 HydrophobicContact CZ2-CG2 3.81Å; F621-V746 HydrophobicContact CB-CB 3.88Å; F621-V746 HydrophobicContact CB-CG1 3.7Å; N743-V746 PolarHBondContact O-N 3.39Å; K744-V746 PolarHBondContact O-N 3.35Å; V746-K748 PolarHBondContact O-N 3.02Å; V746-Q749 PolarHBondContact O-N 2.93Å; V746-Q749 PolarHBondContact O-OE1 3.14Å; V746-F750 WeakPolarHBondContact O-CB 3.41Å; V746-F750 PolarHBondContact O-N 3.31Å
747	E	90	Very high	91.3	Very high	111 Å²	111	38.7 Å²	38.7	52%	0.519	17%	0.17	S	C	.	.	H	α-helix	trans	-57	-46.9	-167.9	-170.8	-171.5	140.9	0	0	112.6	N743 K751	N743-E747 WeakPolarHBondContact O-CA 3.5Å; N743-E747 PolarHBondContact O-N 3.45Å; N743-E747 VanDerWaalsContact O-N 3.09Å; E747-K751 WeakPolarHBondContact O-CB 3.48Å; E747-K751 PolarHBondContact O-N 2.7Å
748	K	90.1	Very high	90.9	Very high	148 Å²	148	40.2 Å²	40.2	64%	0.643	18%	0.179	S	C	*	.	H	α-helix	trans	-67.2	-50.7	-177.6	-61.9	-178.5	-179.7	-179.7	0	111.8	V746 F750 K751 A752	V746-K748 PolarHBondContact O-N 3.02Å; K748-F750 VanDerWaalsContact C-N 3.32Å; K748-F750 PolarHBondContact O-N 2.78Å; K748-K751 PolarHBondContact O-N 3.28Å; K748-A752 PolarHBondContact O-N 2.88Å
749	Q	91.8	Very high	90.5	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.107	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-45.6	179.1	-61	85.1	-12.3	0	0	110.1	F621 N622 S623 Y632 V746 A752 F753	F621-Q749 HydrophobicContact CD1-CB 4.1Å; N622-Q749 PolarHBondContact O-NE2 3.27Å; S623-Q749 PolarHBondContact O-NE2 3.44Å; Y632-Q749 HydrophobicContact CD1-CB 4.04Å; Y632-Q749 HydrophobicContact CD2-CB 4.13Å; Y632-Q749 HydrophobicContact CD2-CG 4.18Å; Y632-Q749 HydrophobicContact CE1-CB 3.84Å; Y632-Q749 HydrophobicContact CE1-CG 4.2Å; Y632-Q749 HydrophobicContact CE2-CB 3.92Å; Y632-Q749 HydrophobicContact CE2-CG 3.58Å; Y632-Q749 HydrophobicContact CG-CB 4.19Å; V746-Q749 PolarHBondContact O-N 2.93Å; V746-Q749 PolarHBondContact O-OE1 3.14Å; Q749-A752 PolarHBondContact O-N 3.16Å; Q749-F753 WeakPolarHBondContact O-CB 3.4Å; Q749-F753 PolarHBondContact O-N 3.18Å
750	F	92.6	Very high	90.2	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.035	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-37.9	179	-170	-92.1	0	0	0	112.9	F621 V657 K660 L661 V746 K748 F753 R754	F621-F750 HydrophobicContact CD2-CD2 4.41Å; F621-F750 HydrophobicContact CE1-CD2 4.23Å; F621-F750 AromaticContact CE2-CD2 3.75Å; F621-F750 HydrophobicContact CE2-CD2 3.75Å; F621-F750 HydrophobicContact CE2-CE2 4.24Å; F621-F750 AromaticContact CZ-CD2 3.65Å; F621-F750 HydrophobicContact CZ-CD2 3.65Å; F621-F750 HydrophobicContact CZ-CE2 4.15Å; V657-F750 HydrophobicContact CG1-CE2 4.37Å; K660-F750 HydrophobicContact CB-CD1 4.4Å; K660-F750 HydrophobicContact CB-CE1 3.51Å; K660-F750 HydrophobicContact CB-CE2 3.83Å; K660-F750 HydrophobicContact CB-CZ 3.19Å; K660-F750 HydrophobicContact CG-CZ 4.42Å; L661-F750 HydrophobicContact CD2-CZ 4.33Å; L661-F750 HydrophobicContact CG-CZ 4.46Å; V746-F750 WeakPolarHBondContact O-CB 3.41Å; V746-F750 PolarHBondContact O-N 3.31Å; K748-F750 VanDerWaalsContact C-N 3.32Å; K748-F750 PolarHBondContact O-N 2.78Å; F750-F753 HydrophobicContact CD2-CD1 4.08Å; F750-F753 AromaticContact CE2-CD1 3.73Å; F750-F753 HydrophobicContact CE2-CD1 3.73Å; F750-F753 HydrophobicContact CE2-CE1 4.11Å; F750-F753 HydrophobicContact CZ-CD1 4.35Å; F750-F753 WeakPolarHBondContact O-CB 3.41Å; F750-F753 PolarHBondContact O-N 3.3Å; F750-R754 HydrophobicContact CD1-CB 4.45Å; F750-R754 HydrophobicContact CE1-CB 3.94Å; F750-R754 HydrophobicContact CE1-CG 4.43Å; F750-R754 HydrophobicContact CZ-CB 4.34Å; F750-R754 WeakPolarHBondContact O-CB 3.44Å; F750-R754 PolarHBondContact O-N 3.14Å
751	K	91.4	Very high	89.7	Confident	88 Å²	88	38.9 Å²	38.9	38%	0.383	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-42	175.6	-175	168.5	-179.4	170.7	0	111.2	E419 E747 K748 R755	E419-K751 VanDerWaalsContact OE1-CE 3.23Å; E419-K751 WeakPolarHBondContact OE1-CE 3.34Å; E419-K751 IonicContact OE1-NZ 3.28Å; E419-K751 PolarHBondContact OE1-NZ 3.33Å; E747-K751 WeakPolarHBondContact O-CB 3.48Å; E747-K751 PolarHBondContact O-N 2.7Å; K748-K751 PolarHBondContact O-N 3.28Å; K751-R755 VanDerWaalsContact O-CB 3.31Å; K751-R755 WeakPolarHBondContact O-CB 3.38Å; K751-R755 PolarHBondContact O-N 3.38Å
752	A	91.3	Very high	88.8	Confident	3 Å²	3	39.9 Å²	39.9	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-62.7	-44.5	173.6	0	0	0	0	0	112.4	E629 K748 Q749 R755 G756	E629-A752 HydrophobicContact CB-CB 3.93Å; E629-A752 HydrophobicContact CG-CB 4.41Å; E629-A752 WeakPolarHBondContact O-CB 3.42Å; K748-A752 PolarHBondContact O-N 2.88Å; Q749-A752 PolarHBondContact O-N 3.16Å; A752-R755 WeakPolarHBondContact O-CB 3.36Å; A752-R755 PolarHBondContact O-N 3.07Å; A752-G756 PolarHBondContact O-N 2.89Å
753	F	93.1	Very high	87.6	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.1	-51.1	174.5	177.6	-104.4	0	0	0	113.2	F621 Y632 I635 G636 L639 F653 V657 L661 Q749 F750 R755 G756 F757	F621-F753 HydrophobicContact CE1-CB 3.95Å; F621-F753 HydrophobicContact CE1-CD1 4.19Å; F621-F753 HydrophobicContact CE1-CD2 4.28Å; F621-F753 AromaticContact CE1-CG 3.91Å; F621-F753 HydrophobicContact CE1-CG 3.91Å; F621-F753 HydrophobicContact CZ-CB 4.3Å; F621-F753 AromaticContact CZ-CD1 3.66Å; F621-F753 HydrophobicContact CZ-CD1 3.66Å; F621-F753 HydrophobicContact CZ-CD2 4.25Å; F621-F753 AromaticContact CZ-CE1 3.89Å; F621-F753 HydrophobicContact CZ-CE1 3.89Å; F621-F753 HydrophobicContact CZ-CE2 4.46Å; F621-F753 AromaticContact CZ-CG 3.83Å; F621-F753 HydrophobicContact CZ-CG 3.83Å; F621-F753 HydrophobicContact CZ-CZ 4.28Å; Y632-F753 WeakPolarHBondContact O-CA 3.37Å; I635-F753 HydrophobicContact CG2-CD2 3.89Å; I635-F753 HydrophobicContact CG2-CE2 4.15Å; G636-F753 WeakPolarHBondContact CA-O 3.32Å; L639-F753 HydrophobicContact CD2-CE2 4.08Å; L639-F753 HydrophobicContact CD2-CZ 3.66Å; F653-F753 HydrophobicContact CE2-CZ 4.2Å; F653-F753 HydrophobicContact CZ-CZ 4.37Å; V657-F753 HydrophobicContact CG1-CE1 3.95Å; V657-F753 HydrophobicContact CG1-CZ 4.38Å; L661-F753 HydrophobicContact CD1-CE1 4.05Å; L661-F753 HydrophobicContact CD2-CD1 3.89Å; L661-F753 HydrophobicContact CD2-CE1 3.65Å; L661-F753 HydrophobicContact CG-CE1 4Å; Q749-F753 WeakPolarHBondContact O-CB 3.4Å; Q749-F753 PolarHBondContact O-N 3.18Å; F750-F753 HydrophobicContact CD2-CD1 4.08Å; F750-F753 AromaticContact CE2-CD1 3.73Å; F750-F753 HydrophobicContact CE2-CD1 3.73Å; F750-F753 HydrophobicContact CE2-CE1 4.11Å; F750-F753 HydrophobicContact CZ-CD1 4.35Å; F750-F753 WeakPolarHBondContact O-CB 3.41Å; F750-F753 PolarHBondContact O-N 3.3Å; F753-R755 VanDerWaalsContact C-N 3.32Å; F753-R755 PolarHBondContact O-N 3.06Å; F753-G756 PolarHBondContact O-N 3.49Å; F753-F757 PolarHBondContact O-N 3.35Å
754	R	91.3	Very high	86.6	Confident	42 Å²	42	45.1 Å²	45.1	16%	0.158	21%	0.205	C	C	.	.	H	α-helix	trans	-61.4	-38.9	176.6	-174.7	-179.5	176.4	-137.3	-0.5	111.3	D417 E418 L661 F750 F757 H758	D417-R754 PolarHBondContact O-NH1 3.25Å; E418-R754 IonicContact OE1-NH2 3.74Å; L661-R754 HydrophobicContact CD2-CB 4.46Å; F750-R754 HydrophobicContact CD1-CB 4.45Å; F750-R754 HydrophobicContact CE1-CB 3.94Å; F750-R754 HydrophobicContact CE1-CG 4.43Å; F750-R754 HydrophobicContact CZ-CB 4.34Å; F750-R754 WeakPolarHBondContact O-CB 3.44Å; F750-R754 PolarHBondContact O-N 3.14Å; R754-F757 PolarHBondContact O-N 3.03Å; R754-H758 VanDerWaalsContact O-CB 3.28Å; R754-H758 WeakPolarHBondContact O-CB 3.25Å; R754-H758 PolarHBondContact O-N 2.73Å
755	R	89.1	Confident	85.9	Confident	112 Å²	112	42 Å²	42	42%	0.423	19%	0.193	S	C	.	.	H	α-helix	trans	-59.1	-51.8	174.5	-170.8	179.4	102.5	-92.7	1.2	110.9	T633 K751 A752 F753 F757 H758 M759	T633-R755 PolarHBondContact OG1-NH1 3.1Å; T633-R755 PolarHBondContact OG1-NH2 2.76Å; K751-R755 VanDerWaalsContact O-CB 3.31Å; K751-R755 WeakPolarHBondContact O-CB 3.38Å; K751-R755 PolarHBondContact O-N 3.38Å; A752-R755 WeakPolarHBondContact O-CB 3.36Å; A752-R755 PolarHBondContact O-N 3.07Å; F753-R755 VanDerWaalsContact C-N 3.32Å; F753-R755 PolarHBondContact O-N 3.06Å; R755-F757 VanDerWaalsContact C-N 3.35Å; R755-F757 PolarHBondContact O-N 3.27Å; R755-H758 PolarHBondContact O-N 3.46Å; R755-M759 HydrophobicContact CG-SD 4.29Å; R755-M759 VanDerWaalsContact O-CG 3.26Å; R755-M759 WeakPolarHBondContact O-CG 3.28Å; R755-M759 PolarHBondContact O-N 3.12Å
756	G	89.1	Confident	85.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.9	-44.4	178.6	0	0	0	0	0	113.2	T633 G636 I637 A752 F753 M759	T633-G756 WeakPolarHBondContact O-CA 3.32Å; G636-G756 VanDerWaalsContact C-C 3.41Å; I637-G756 WeakPolarHBondContact CA-O 3.5Å; I637-G756 VanDerWaalsContact CG1-O 3.29Å; I637-G756 WeakPolarHBondContact CG1-O 3.47Å; I637-G756 PolarHBondContact N-O 3.21Å; A752-G756 PolarHBondContact O-N 2.89Å; F753-G756 PolarHBondContact O-N 3.49Å; G756-M759 PolarHBondContact O-N 2.81Å
757	F	90.6	Very high	84.8	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-60.8	-49.2	175	-175	-100.5	0	0	0	111.7	G636 L639 I643 L661 F753 R754 R755 M759 V760 T761 L766	G636-F757 VanDerWaalsContact C-N 3.32Å; G636-F757 VanDerWaalsContact O-CA 3.25Å; G636-F757 WeakPolarHBondContact O-CA 3.46Å; G636-F757 PolarHBondContact O-N 3.44Å; L639-F757 HydrophobicContact CB-CD2 3.95Å; L639-F757 HydrophobicContact CB-CE2 4.26Å; I643-F757 HydrophobicContact CD1-CE2 3.71Å; I643-F757 HydrophobicContact CD1-CZ 3.92Å; L661-F757 HydrophobicContact CB-CE1 4.44Å; L661-F757 HydrophobicContact CD1-CD1 4.49Å; L661-F757 HydrophobicContact CD1-CD2 4.35Å; L661-F757 HydrophobicContact CD1-CE1 4.44Å; L661-F757 HydrophobicContact CD1-CE2 4.3Å; L661-F757 HydrophobicContact CD1-CG 4.43Å; L661-F757 HydrophobicContact CD1-CZ 4.34Å; L661-F757 HydrophobicContact CD2-CB 3.94Å; L661-F757 HydrophobicContact CD2-CD1 3.87Å; L661-F757 HydrophobicContact CD2-CE1 4.5Å; L661-F757 HydrophobicContact CD2-CG 3.87Å; F753-F757 PolarHBondContact O-N 3.35Å; R754-F757 PolarHBondContact O-N 3.03Å; R755-F757 VanDerWaalsContact C-N 3.35Å; R755-F757 PolarHBondContact O-N 3.27Å; F757-M759 VanDerWaalsContact C-N 3.31Å; F757-M759 PolarHBondContact O-N 3.42Å; F757-V760 PolarHBondContact O-N 3.02Å; F757-V760 VanDerWaalsContact O-N 3.15Å; F757-T761 HydrophobicContact CD1-CG2 4.21Å; F757-T761 HydrophobicContact CD2-CG2 4.47Å; F757-T761 HydrophobicContact CE1-CG2 3.89Å; F757-T761 HydrophobicContact CE2-CG2 4.16Å; F757-T761 HydrophobicContact CG-CG2 4.5Å; F757-T761 HydrophobicContact CZ-CG2 3.87Å; F757-T761 PolarHBondContact O-N 3.45Å; F757-T761 VanDerWaalsContact O-N 3.11Å; F757-T761 PolarHBondContact O-OG1 3.07Å; F757-L766 HydrophobicContact CZ-CD1 4.3Å
758	H	86.9	Confident	84.3	Confident	77 Å²	77	42.2 Å²	42.2	36%	0.356	19%	0.19	S	C	.	.	H	α-helix	trans	-65.8	-30	-177.4	-162.3	78.6	0	0	0	113.2	R754 R755 V760 T761 N762	R754-H758 VanDerWaalsContact O-CB 3.28Å; R754-H758 WeakPolarHBondContact O-CB 3.25Å; R754-H758 PolarHBondContact O-N 2.73Å; R755-H758 PolarHBondContact O-N 3.46Å; H758-V760 PolarHBondContact O-N 2.87Å; H758-V760 VanDerWaalsContact O-N 3.14Å; H758-T761 PolarHBondContact O-N 2.88Å; H758-N762 VanDerWaalsContact NE2-CB 3.33Å; H758-N762 WeakPolarHBondContact NE2-CB 3.42Å; H758-N762 WeakPolarHBondContact O-CA 3.49Å; H758-N762 VanDerWaalsContact O-CB 3.24Å; H758-N762 WeakPolarHBondContact O-CB 3.06Å; H758-N762 PolarHBondContact O-N 2.82Å
759	M	84.4	Confident	83.9	Confident	46 Å²	46	35.3 Å²	35.3	23%	0.227	16%	0.16	C	C	.	.	H	α-helix	trans	-56.5	-28.9	174.3	-73.9	164.9	62.3	0	0	113	A564 L571 T633 I637 R755 G756 F757	A564-M759 HydrophobicContact CB-CE 3.39Å; L571-M759 HydrophobicContact CD1-CB 4.08Å; L571-M759 HydrophobicContact CD1-CE 3.91Å; T633-M759 HydrophobicContact CG2-SD 4.24Å; I637-M759 HydrophobicContact CD1-CE 4.01Å; I637-M759 HydrophobicContact CD1-SD 4.46Å; R755-M759 HydrophobicContact CG-SD 4.29Å; R755-M759 VanDerWaalsContact O-CG 3.26Å; R755-M759 WeakPolarHBondContact O-CG 3.28Å; R755-M759 PolarHBondContact O-N 3.12Å; G756-M759 PolarHBondContact O-N 2.81Å; F757-M759 VanDerWaalsContact C-N 3.31Å; F757-M759 PolarHBondContact O-N 3.42Å
760	V	84.2	Confident	83.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-92.9	-40.9	174.3	-168.8	0	0	0	0	111.4	I637 L641 Y644 F757 H758	I637-V760 HydrophobicContact CB-CG2 4.49Å; I637-V760 HydrophobicContact CG2-CG2 3.96Å; L641-V760 HydrophobicContact CD2-CG1 4.31Å; L641-V760 HydrophobicContact CD2-CG2 4.49Å; L641-V760 HydrophobicContact CG-CG2 4.37Å; Y644-V760 HydrophobicContact CD2-CG1 3.75Å; Y644-V760 HydrophobicContact CE2-CG1 4Å; Y644-V760 HydrophobicContact CG-CG1 4.06Å; Y644-V760 PolarHBondContact OH-O 3.02Å; F757-V760 PolarHBondContact O-N 3.02Å; F757-V760 VanDerWaalsContact O-N 3.15Å; H758-V760 PolarHBondContact O-N 2.87Å; H758-V760 VanDerWaalsContact O-N 3.14Å
761	T	82.4	Confident	83.5	Confident	11 Å²	11	35.2 Å²	35.2	7%	0.067	16%	0.159	C	C	.	.	H	α-helix	trans	-97.3	-0.2	-168.1	72.3	0	0	0	0	116.2	Y644 F757 H758 E763 S764 L766	Y644-T761 HydrophobicContact CE2-CG2 4.37Å; F757-T761 HydrophobicContact CD1-CG2 4.21Å; F757-T761 HydrophobicContact CD2-CG2 4.47Å; F757-T761 HydrophobicContact CE1-CG2 3.89Å; F757-T761 HydrophobicContact CE2-CG2 4.16Å; F757-T761 HydrophobicContact CG-CG2 4.5Å; F757-T761 HydrophobicContact CZ-CG2 3.87Å; F757-T761 PolarHBondContact O-N 3.45Å; F757-T761 VanDerWaalsContact O-N 3.11Å; F757-T761 PolarHBondContact O-OG1 3.07Å; H758-T761 PolarHBondContact O-N 2.88Å; T761-E763 VanDerWaalsContact C-N 3.35Å; T761-E763 PolarHBondContact O-N 3.39Å; T761-S764 WeakPolarHBondContact O-CB 3.29Å; T761-S764 PolarHBondContact O-N 2.85Å; T761-L766 HydrophobicContact CG2-CD1 4.47Å
762	N	72.2	Confident	83.4	Confident	47 Å²	47	31.3 Å²	31.3	25%	0.251	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-43.7	-167.8	61.4	-6.5	0	0	0	116.1	I421 K572 H758	I421-N762 HydrophobicContact CD1-CB 3.95Å; K572-N762 VanDerWaalsContact CE-OD1 3.3Å; K572-N762 WeakPolarHBondContact CE-OD1 3.16Å; K572-N762 PolarHBondContact NZ-OD1 2.92Å; H758-N762 VanDerWaalsContact NE2-CB 3.33Å; H758-N762 WeakPolarHBondContact NE2-CB 3.42Å; H758-N762 WeakPolarHBondContact O-CA 3.49Å; H758-N762 VanDerWaalsContact O-CB 3.24Å; H758-N762 WeakPolarHBondContact O-CB 3.06Å; H758-N762 PolarHBondContact O-N 2.82Å
763	E	65.7	Low	83.3	Confident	113 Å²	113	35.1 Å²	35.1	53%	0.528	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1.2	-179.6	-65.7	152.6	-155.9	0	0	112.8	R520 K572 T761	R520-E763 PolarHBondContact NH1-O 3.47Å; R520-E763 IonicContact NH1-OE2 2.78Å; R520-E763 PolarHBondContact NH1-OE2 3.39Å; R520-E763 VanDerWaalsContact NH1-OE2 3.08Å; R520-E763 PolarHBondContact NH2-O 3.44Å; K572-E763 IonicContact NZ-OE1 2.95Å; K572-E763 PolarHBondContact NZ-OE1 2.87Å; K572-E763 IonicContact NZ-OE2 3.76Å; K572-E763 PolarHBondContact NZ-OE2 3.06Å; T761-E763 VanDerWaalsContact C-N 3.35Å; T761-E763 PolarHBondContact O-N 3.39Å
764	S	71.5	Confident	83.1	Confident	12 Å²	12	35.7 Å²	35.7	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-68.3	144	-177.8	-173	0	0	0	0	110.3	L513 T761 L766	L513-S764 VanDerWaalsContact CD1-OG 3.31Å; L513-S764 WeakPolarHBondContact CD1-OG 3.48Å; T761-S764 WeakPolarHBondContact O-CB 3.29Å; T761-S764 PolarHBondContact O-N 2.85Å; S764-L766 PolarHBondContact O-N 3.45Å; S764-L766 PolarHBondContact OG-N 2.86Å
765	P	74.4	Confident	83.1	Confident	16 Å²	16	33.8 Å²	33.8	10%	0.104	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	4.8	171	32.2	-37.8	0	0	0	113.3	F487 L513 D516 K767 Y768 L769	F487-P765 HydrophobicContact CE1-CB 4.25Å; L513-P765 HydrophobicContact CD1-CG 4.35Å; D516-P765 VanDerWaalsContact OD2-CD 3.27Å; D516-P765 WeakPolarHBondContact OD2-CD 3.45Å; P765-K767 PolarHBondContact O-N 3.48Å; P765-Y768 PolarHBondContact O-N 2.95Å; P765-L769 HydrophobicContact CB-CD1 3.65Å; P765-L769 HydrophobicContact CB-CG 4.03Å; P765-L769 HydrophobicContact CG-CD1 3.76Å; P765-L769 WeakPolarHBondContact O-CG 3.28Å; P765-L769 PolarHBondContact O-N 3.41Å
766	L	80.8	Confident	83.1	Confident	9 Å²	9	29.8 Å²	29.8	5%	0.047	14%	0.141	C	C	.	.	H	α-helix	trans	-50.8	-48.4	-177.8	-170.6	154	0	0	0	113.8	I643 F757 T761 S764 Y768 F770 I775	I643-L766 HydrophobicContact CD1-CD1 3.97Å; I643-L766 HydrophobicContact CG2-CD1 4.32Å; F757-L766 HydrophobicContact CZ-CD1 4.3Å; T761-L766 HydrophobicContact CG2-CD1 4.47Å; S764-L766 PolarHBondContact O-N 3.45Å; S764-L766 PolarHBondContact OG-N 2.86Å; L766-Y768 PolarHBondContact O-N 3.22Å; L766-Y768 VanDerWaalsContact O-N 3.14Å; L766-F770 HydrophobicContact CG-CD2 4.39Å; L766-F770 PolarHBondContact O-N 3.45Å; L766-I775 HydrophobicContact CD2-CD1 3.65Å; L766-I775 HydrophobicContact CD2-CG1 4.03Å
767	K	77.8	Confident	83.1	Confident	85 Å²	85	32.8 Å²	32.8	37%	0.37	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-20.3	179.6	-166.4	178.7	-178.3	-175.9	0	113.2	E418 P765	E418-K767 IonicContact OE1-NZ 3.03Å; E418-K767 PolarHBondContact OE1-NZ 2.91Å; E418-K767 IonicContact OE2-NZ 2.83Å; P765-K767 PolarHBondContact O-N 3.48Å
768	Y	78.8	Confident	83	Confident	39 Å²	39	32.9 Å²	32.9	15%	0.153	16%	0.158	C	C	.	.	H	α-helix	trans	-102.7	-34.8	-176.7	176.5	-107.2	0	0	0	113.7	R444 F487 M498 T499 P765 L766	R444-Y768 HydrophobicContact CB-CD2 4.34Å; R444-Y768 HydrophobicContact CB-CE2 4.48Å; R444-Y768 HydrophobicContact CB-CG 4.43Å; R444-Y768 WeakPolarHBondContact O-CD2 3.26Å; F487-Y768 HydrophobicContact CE2-CD1 4.33Å; F487-Y768 AromaticContact CE2-CE1 3.91Å; F487-Y768 HydrophobicContact CE2-CE1 3.91Å; F487-Y768 HydrophobicContact CZ-CD1 4.07Å; F487-Y768 HydrophobicContact CZ-CE1 4.12Å; M498-Y768 WeakPolarHBondContact O-CE1 3.26Å; T499-Y768 WeakPolarHBondContact CA-OH 3.47Å; T499-Y768 PolarHBondContact O-OH 2.86Å; P765-Y768 PolarHBondContact O-N 2.95Å; L766-Y768 PolarHBondContact O-N 3.22Å; L766-Y768 VanDerWaalsContact O-N 3.14Å
769	L	82.8	Confident	83.1	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-89.6	-30	-173.5	-65.3	174.1	0	0	0	114.4	M498 P501 K509 P765	M498-L769 HydrophobicContact CB-CD2 4.15Å; M498-L769 HydrophobicContact CE-CD1 3.47Å; M498-L769 VanDerWaalsContact CE-CD1 3.47Å; M498-L769 HydrophobicContact CE-CD2 4.1Å; M498-L769 HydrophobicContact CE-CG 4.42Å; M498-L769 WeakPolarHBondContact O-CD2 3.14Å; P501-L769 HydrophobicContact CB-CD2 4.25Å; K509-L769 WeakPolarHBondContact CD-O 3.44Å; K509-L769 WeakPolarHBondContact CE-O 3.44Å; K509-L769 PolarHBondContact NZ-O 3.31Å; P765-L769 HydrophobicContact CB-CD1 3.65Å; P765-L769 HydrophobicContact CB-CG 4.03Å; P765-L769 HydrophobicContact CG-CD1 3.76Å; P765-L769 WeakPolarHBondContact O-CG 3.28Å; P765-L769 PolarHBondContact O-N 3.41Å
770	F	88.3	Confident	83.2	Confident	4 Å²	4	27.1 Å²	27.1	2%	0.018	13%	0.131	C	C	.	.			trans	-118	139.7	-167.4	-61.6	-87	0	0	0	112.2	K509 L513 M662 L766 E774 I775 L778	K509-F770 HydrophobicContact CB-CD1 4.24Å; K509-F770 HydrophobicContact CB-CE1 3.42Å; K509-F770 VanDerWaalsContact CB-CE1 3.42Å; K509-F770 HydrophobicContact CB-CE2 4.46Å; K509-F770 HydrophobicContact CB-CZ 3.56Å; K509-F770 HydrophobicContact CD-CD1 4.08Å; K509-F770 HydrophobicContact CD-CE1 4.06Å; K509-F770 HydrophobicContact CG-CE1 4.41Å; L513-F770 HydrophobicContact CB-CE2 4.31Å; L513-F770 HydrophobicContact CB-CZ 4.33Å; L513-F770 HydrophobicContact CD2-CE2 3.93Å; L513-F770 HydrophobicContact CD2-CZ 4.16Å; M662-F770 WeakPolarHBondContact CE-O 3.28Å; L766-F770 HydrophobicContact CG-CD2 4.39Å; L766-F770 PolarHBondContact O-N 3.45Å; F770-E774 WeakPolarHBondContact CA-OE2 3.19Å; F770-E774 HydrophobicContact CB-CB 4.13Å; F770-E774 HydrophobicContact CD1-CB 3.85Å; F770-E774 HydrophobicContact CG-CB 4.48Å; F770-I775 HydrophobicContact CB-CG1 4.04Å; F770-L778 HydrophobicContact CD1-CD1 3.92Å; F770-L778 HydrophobicContact CD1-CG 4.33Å; F770-L778 HydrophobicContact CD2-CD1 4.16Å; F770-L778 HydrophobicContact CE1-CD1 3.79Å; F770-L778 HydrophobicContact CE1-CD2 3.95Å; F770-L778 HydrophobicContact CE1-CG 4.08Å; F770-L778 HydrophobicContact CE2-CD1 4.07Å; F770-L778 HydrophobicContact CG-CD1 4.09Å; F770-L778 HydrophobicContact CZ-CD1 3.86Å; F770-L778 HydrophobicContact CZ-CD2 4.21Å; F770-L778 HydrophobicContact CZ-CG 4.49Å
771	R	87.9	Confident	83.2	Confident	24 Å²	24	27.1 Å²	27.1	9%	0.091	13%	0.131	C	C	.	.			trans	-81.4	165	167	-59.7	-170.3	-62.6	-88	5.1	111.4	E467 E773 E774 I775	E467-R771 IonicContact OE1-NH2 3.64Å; E467-R771 PolarHBondContact OE1-NH2 3.47Å; R771-E773 VanDerWaalsContact C-N 3.25Å; R771-E773 WeakPolarHBondContact CB-OE2 3.35Å; R771-E773 IonicContact NE-OE2 3.48Å; R771-E773 PolarHBondContact O-N 3.02Å; R771-E774 HydrophobicContact CB-CG 4.3Å; R771-E774 PolarHBondContact N-OE2 2.88Å; R771-E774 PolarHBondContact O-N 3.35Å; R771-I775 WeakPolarHBondContact O-CG1 3.33Å; R771-I775 PolarHBondContact O-N 3.44Å
772	P	89.2	Confident	83.1	Confident	6 Å²	6	27.9 Å²	27.9	4%	0.039	14%	0.137	C	C	.	.	H	α-helix	trans	-51.9	-40.6	177.7	-25.6	33	0	0	0	114	M655 R659 M662 E774 I775 E776	M655-P772 HydrophobicContact CG-CB 4.49Å; M655-P772 HydrophobicContact SD-CB 3.7Å; R659-P772 HydrophobicContact CG-CB 3.97Å; R659-P772 HydrophobicContact CG-CG 3.81Å; M662-P772 HydrophobicContact SD-CB 4.27Å; M662-P772 HydrophobicContact SD-CG 3.62Å; P772-E774 VanDerWaalsContact C-N 3.33Å; P772-E774 PolarHBondContact O-N 2.9Å; P772-I775 WeakPolarHBondContact O-CB 3.44Å; P772-I775 PolarHBondContact O-N 2.88Å; P772-E776 PolarHBondContact O-N 3.31Å
773	E	88.6	Confident	83.2	Confident	84 Å²	84	32.7 Å²	32.7	39%	0.393	15%	0.151	S	C	.	.	H	α-helix	trans	-68.9	-34.7	-179.8	-50.9	73	-158.2	0	0	111.2	M655 R771 I775 E776 L777	M655-E773 HydrophobicContact CE-CB 4.28Å; M655-E773 HydrophobicContact CE-CG 3.97Å; M655-E773 HydrophobicContact SD-CG 4.17Å; R771-E773 VanDerWaalsContact C-N 3.25Å; R771-E773 WeakPolarHBondContact CB-OE2 3.35Å; R771-E773 IonicContact NE-OE2 3.48Å; R771-E773 PolarHBondContact O-N 3.02Å; E773-I775 VanDerWaalsContact C-N 3.32Å; E773-E776 PolarHBondContact O-N 2.95Å; E773-L777 WeakPolarHBondContact O-CG 3.36Å; E773-L777 PolarHBondContact O-N 3.29Å
774	E	89.4	Confident	83.7	Confident	12 Å²	12	33.1 Å²	33.1	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-72.8	-28.5	175.6	-55.6	179.5	117.7	0	0	111.2	K509 F770 R771 P772 L777 L778	K509-E774 IonicContact NZ-OE1 3.36Å; K509-E774 PolarHBondContact NZ-OE1 3.01Å; K509-E774 IonicContact NZ-OE2 2.72Å; K509-E774 PolarHBondContact NZ-OE2 3.3Å; F770-E774 WeakPolarHBondContact CA-OE2 3.19Å; F770-E774 HydrophobicContact CB-CB 4.13Å; F770-E774 HydrophobicContact CD1-CB 3.85Å; F770-E774 HydrophobicContact CG-CB 4.48Å; R771-E774 HydrophobicContact CB-CG 4.3Å; R771-E774 PolarHBondContact N-OE2 2.88Å; R771-E774 PolarHBondContact O-N 3.35Å; P772-E774 VanDerWaalsContact C-N 3.33Å; P772-E774 PolarHBondContact O-N 2.9Å; E774-L777 PolarHBondContact O-N 2.9Å; E774-L778 WeakPolarHBondContact O-CG 3.44Å; E774-L778 PolarHBondContact O-N 3.44Å
775	I	90.3	Very high	84.3	Confident	1 Å²	1	34 Å²	34	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-69.8	-39	170.9	-60.9	166.9	0	0	0	111	Y658 M662 L766 F770 R771 P772 E773 L777 L778 I779	Y658-I775 HydrophobicContact CD1-CG2 3.97Å; M662-I775 HydrophobicContact CE-CD1 4.15Å; M662-I775 HydrophobicContact CG-CD1 3.63Å; M662-I775 HydrophobicContact SD-CD1 3.56Å; M662-I775 VanDerWaalsContact SD-CD1 3.56Å; L766-I775 HydrophobicContact CD2-CD1 3.65Å; L766-I775 HydrophobicContact CD2-CG1 4.03Å; F770-I775 HydrophobicContact CB-CG1 4.04Å; R771-I775 WeakPolarHBondContact O-CG1 3.33Å; R771-I775 PolarHBondContact O-N 3.44Å; P772-I775 WeakPolarHBondContact O-CB 3.44Å; P772-I775 PolarHBondContact O-N 2.88Å; E773-I775 VanDerWaalsContact C-N 3.32Å; I775-L777 VanDerWaalsContact C-N 3.29Å; I775-L777 PolarHBondContact O-N 3.21Å; I775-L778 PolarHBondContact O-N 2.88Å; I775-I779 HydrophobicContact CG2-CD1 3.76Å; I775-I779 HydrophobicContact CG2-CG1 4.48Å; I775-I779 WeakPolarHBondContact O-CG1 3.36Å; I775-I779 PolarHBondContact O-N 3.39Å
776	E	90.8	Very high	84.9	Confident	28 Å²	28	36.7 Å²	36.7	13%	0.131	18%	0.175	C	C	.	.	H	α-helix	trans	-56.1	-46.9	168.1	-172.8	-163.7	156.9	0	0	109.6	M655 Y658 P772 E773 L778 I779 C780 R783 R834	M655-E776 HydrophobicContact CE-CB 4.44Å; M655-E776 WeakPolarHBondContact CE-OE2 3.39Å; Y658-E776 HydrophobicContact CD2-CB 4.15Å; Y658-E776 HydrophobicContact CE2-CB 3.82Å; Y658-E776 HydrophobicContact CE2-CG 3.9Å; P772-E776 PolarHBondContact O-N 3.31Å; E773-E776 PolarHBondContact O-N 2.95Å; E776-L778 PolarHBondContact O-N 3.1Å; E776-I779 PolarHBondContact O-N 3.35Å; E776-C780 HydrophobicContact CG-CB 4.25Å; E776-C780 WeakPolarHBondContact O-CA 3.47Å; E776-C780 VanDerWaalsContact O-CB 3.31Å; E776-C780 WeakPolarHBondContact O-CB 3.43Å; E776-C780 PolarHBondContact O-N 2.96Å; E776-C780 PolarHBondContact O-SG 2.85Å; E776-C780 VanDerWaalsContact O-SG 3.37Å; E776-R783 IonicContact OE1-CZ 2.66Å; E776-R783 IonicContact OE1-NE 2.95Å; E776-R783 IonicContact OE1-NH2 2.71Å; E776-R783 PolarHBondContact OE1-NH2 2.75Å; E776-R834 IonicContact OE1-NH1 2.68Å; E776-R834 PolarHBondContact OE1-NH1 3.13Å
777	L	88.7	Confident	85.3	Confident	63 Å²	63	36.7 Å²	36.7	33%	0.33	17%	0.174	S	C	.	.	H	α-helix	trans	-63.9	-36.8	-179.9	-70.5	171.3	0	0	0	113.5	E773 E774 I775 G781 V837	E773-L777 WeakPolarHBondContact O-CG 3.36Å; E773-L777 PolarHBondContact O-N 3.29Å; E774-L777 PolarHBondContact O-N 2.9Å; I775-L777 VanDerWaalsContact C-N 3.29Å; I775-L777 PolarHBondContact O-N 3.21Å; L777-G781 VanDerWaalsContact O-CA 3.24Å; L777-G781 WeakPolarHBondContact O-CA 3.48Å; L777-G781 PolarHBondContact O-N 2.92Å; L777-V837 WeakPolarHBondContact O-CG2 3.29Å
778	L	88.6	Confident	85.9	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.052	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-43.6	174.4	-72.1	-179.9	0	0	0	112.1	N510 L513 I643 F770 E774 I775 E776 V837	N510-L778 HydrophobicContact CB-CD2 3.83Å; L513-L778 HydrophobicContact CD2-CD1 4.11Å; I643-L778 HydrophobicContact CG1-CB 4.48Å; I643-L778 HydrophobicContact CG2-CD1 4.38Å; F770-L778 HydrophobicContact CD1-CD1 3.92Å; F770-L778 HydrophobicContact CD1-CG 4.33Å; F770-L778 HydrophobicContact CD2-CD1 4.16Å; F770-L778 HydrophobicContact CE1-CD1 3.79Å; F770-L778 HydrophobicContact CE1-CD2 3.95Å; F770-L778 HydrophobicContact CE1-CG 4.08Å; F770-L778 HydrophobicContact CE2-CD1 4.07Å; F770-L778 HydrophobicContact CG-CD1 4.09Å; F770-L778 HydrophobicContact CZ-CD1 3.86Å; F770-L778 HydrophobicContact CZ-CD2 4.21Å; F770-L778 HydrophobicContact CZ-CG 4.49Å; E774-L778 WeakPolarHBondContact O-CG 3.44Å; E774-L778 PolarHBondContact O-N 3.44Å; I775-L778 PolarHBondContact O-N 2.88Å; E776-L778 PolarHBondContact O-N 3.1Å; L778-V837 HydrophobicContact CD2-CG2 4.14Å
779	I	88.9	Confident	86.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-80.2	-49.4	-175.3	-65.4	167.6	0	0	0	111	L639 I643 I648 L649 V651 Y658 I775 E776	L639-I779 HydrophobicContact CD2-CD1 4.12Å; L639-I779 HydrophobicContact CG-CD1 4.35Å; L639-I779 HydrophobicContact CG-CG2 4.21Å; I643-I779 HydrophobicContact CD1-CD1 4.11Å; I643-I779 HydrophobicContact CD1-CG1 3.76Å; I643-I779 HydrophobicContact CG1-CG1 3.81Å; I648-I779 CarbonylContact C-O 3.48Å; I648-I779 VanDerWaalsContact CA-O 3.28Å; I648-I779 WeakPolarHBondContact CA-O 3.06Å; L649-I779 HydrophobicContact CB-CG2 4.32Å; L649-I779 HydrophobicContact CD1-CG2 4.33Å; L649-I779 PolarHBondContact N-O 2.86Å; V651-I779 HydrophobicContact CG2-CG2 3.54Å; Y658-I779 HydrophobicContact CD1-CD1 4.24Å; Y658-I779 HydrophobicContact CE1-CD1 3.89Å; I775-I779 HydrophobicContact CG2-CD1 3.76Å; I775-I779 HydrophobicContact CG2-CG1 4.48Å; I775-I779 WeakPolarHBondContact O-CG1 3.36Å; I775-I779 PolarHBondContact O-N 3.39Å; E776-I779 PolarHBondContact O-N 3.35Å
780	C	85.8	Confident	86.8	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-97.2	-20.9	-168.2	-43.1	0	0	0	0	112.7	L649 V651 Y658 E776 R834	L649-C780 WeakPolarHBondContact O-CA 3.24Å; V651-C780 PolarHBondContact O-SG 2.83Å; V651-C780 VanDerWaalsContact O-SG 3.33Å; Y658-C780 PolarHBondContact OH-SG 3.22Å; E776-C780 HydrophobicContact CG-CB 4.25Å; E776-C780 WeakPolarHBondContact O-CA 3.47Å; E776-C780 VanDerWaalsContact O-CB 3.31Å; E776-C780 WeakPolarHBondContact O-CB 3.43Å; E776-C780 PolarHBondContact O-N 2.96Å; E776-C780 PolarHBondContact O-SG 2.85Å; E776-C780 VanDerWaalsContact O-SG 3.37Å; C780-R834 WeakPolarHBondContact O-CD 3.43Å
781	G	84.7	Confident	87	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.			trans	78.9	169.1	-171.5	0	0	0	0	0	114.1	L777 R834 A835	L777-G781 VanDerWaalsContact O-CA 3.24Å; L777-G781 WeakPolarHBondContact O-CA 3.48Å; L777-G781 PolarHBondContact O-N 2.92Å; G781-R834 PolarHBondContact O-NH1 3.02Å; G781-A835 CarbonylContact C-O 3.53Å; G781-A835 WeakPolarHBondContact CA-O 3.15Å
782	S	80.3	Confident	87.2	Confident	28 Å²	28	46.5 Å²	46.5	20%	0.196	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-78.3	141.8	-176.2	-178.3	0	0	0	0	112.5	N784 A835	S782-N784 VanDerWaalsContact C-N 3.35Å; S782-N784 PolarHBondContact OG-N 3.43Å; S782-N784 VanDerWaalsContact OG-N 3.13Å; S782-A835 PolarHBondContact N-O 3.46Å; S782-A835 PolarHBondContact O-N 2.8Å
783	R	73.9	Confident	87.2	Confident	147 Å²	147	48.9 Å²	48.9	56%	0.555	24%	0.242	S	C	*	.	S	Bend	trans	-84.9	-7.3	171.8	-53.4	-176.2	-162.4	-168.8	5.1	113.1	E776	E776-R783 IonicContact OE1-CZ 2.66Å; E776-R783 IonicContact OE1-NE 2.95Å; E776-R783 IonicContact OE1-NH2 2.71Å; E776-R783 PolarHBondContact OE1-NH2 2.75Å
784	N	77.1	Confident	87.5	Confident	122 Å²	122	45.3 Å²	45.3	65%	0.652	23%	0.226	S	C	*	.			trans	-83	119	176.4	-171.8	-5.4	0	0	0	109.9	S782	S782-N784 VanDerWaalsContact C-N 3.35Å; S782-N784 PolarHBondContact OG-N 3.43Å; S782-N784 VanDerWaalsContact OG-N 3.13Å
785	L	83.2	Confident	87.7	Confident	31 Å²	31	49.4 Å²	49.4	16%	0.162	25%	0.245	C	C	.	.			trans	-115.2	81.2	-169.4	-57.7	-177	0	0	0	111.1	F787 R823 L826 A835 L840	L785-F787 HydrophobicContact CB-CD2 4.24Å; L785-F787 HydrophobicContact CB-CE2 3.74Å; L785-F787 HydrophobicContact CD1-CE2 4.37Å; L785-F787 WeakPolarHBondContact O-CD2 3.39Å; L785-F787 PolarHBondContact O-N 3.16Å; L785-R823 HydrophobicContact CD1-CG 3.61Å; L785-L826 HydrophobicContact CD1-CD1 3.73Å; L785-L826 HydrophobicContact CD2-CD1 3.61Å; L785-L826 HydrophobicContact CG-CD1 4.16Å; L785-A835 HydrophobicContact CD2-CB 4.07Å; L785-L840 HydrophobicContact CB-CD1 3.93Å; L785-L840 HydrophobicContact CD2-CD1 4.23Å; L785-L840 HydrophobicContact CD2-CD2 4.26Å; L785-L840 HydrophobicContact CD2-CG 4.3Å
786	D	86.8	Confident	87.9	Confident	73 Å²	73	51.5 Å²	51.5	39%	0.39	25%	0.254	S	S	.	.			trans	-80.3	97.8	173	-175.2	0.7	0	0	0	111.9	Q788 A789 L790 L840	D786-Q788 VanDerWaalsContact C-N 3.29Å; D786-Q788 PolarHBondContact O-N 3.31Å; D786-Q788 WeakPolarHBondContact OD1-CA 3.47Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.45Å; D786-Q788 PolarHBondContact OD1-N 3.47Å; D786-A789 HydrophobicContact CB-CB 4.21Å; D786-A789 PolarHBondContact OD1-N 3.48Å; D786-A789 WeakPolarHBondContact OD2-CB 3.5Å; D786-L790 PolarHBondContact O-N 3.03Å; D786-L840 WeakPolarHBondContact O-CB 3.39Å
787	F	89	Confident	88	Confident	9 Å²	9	55.2 Å²	55.2	4%	0.039	27%	0.274	C	S	.	.	H	α-helix	trans	-74	-14.5	176.4	-77.9	-94.1	0	0	0	114.1	L785 L790 E791 L814 H815 K822 F825 L826 L840	L785-F787 HydrophobicContact CB-CD2 4.24Å; L785-F787 HydrophobicContact CB-CE2 3.74Å; L785-F787 HydrophobicContact CD1-CE2 4.37Å; L785-F787 WeakPolarHBondContact O-CD2 3.39Å; L785-F787 PolarHBondContact O-N 3.16Å; F787-L790 HydrophobicContact CD1-CD2 3.96Å; F787-L790 HydrophobicContact CE1-CD2 4.11Å; F787-E791 PolarHBondContact O-N 2.99Å; F787-E791 VanDerWaalsContact O-N 3.16Å; F787-L814 HydrophobicContact CD1-CD2 3.89Å; F787-L814 HydrophobicContact CD1-CG 4.05Å; F787-L814 HydrophobicContact CE1-CD1 4.24Å; F787-L814 HydrophobicContact CE1-CD2 4.09Å; F787-L814 HydrophobicContact CE1-CG 4.25Å; F787-H815 PolarHBondContact O-CE1 3.26Å; F787-K822 HydrophobicContact CD2-CB 4.37Å; F787-K822 HydrophobicContact CD2-CD 3.81Å; F787-K822 HydrophobicContact CD2-CG 4.14Å; F787-K822 HydrophobicContact CE1-CB 4.39Å; F787-K822 HydrophobicContact CE1-CG 4.28Å; F787-K822 HydrophobicContact CE2-CB 3.49Å; F787-K822 VanDerWaalsContact CE2-CB 3.49Å; F787-K822 HydrophobicContact CE2-CD 3.79Å; F787-K822 HydrophobicContact CE2-CG 3.72Å; F787-K822 HydrophobicContact CG-CD 4.4Å; F787-K822 HydrophobicContact CZ-CB 3.5Å; F787-K822 HydrophobicContact CZ-CD 4.37Å; F787-K822 HydrophobicContact CZ-CG 3.8Å; F787-F825 AromaticContact CE1-CD1 3.99Å; F787-F825 HydrophobicContact CE1-CD1 3.99Å; F787-F825 HydrophobicContact CE1-CE1 4.42Å; F787-L826 HydrophobicContact CE1-CD2 4.24Å; F787-L826 HydrophobicContact CE1-CG 4.25Å; F787-L826 HydrophobicContact CE2-CD1 4.3Å; F787-L826 HydrophobicContact CZ-CD1 3.74Å; F787-L826 HydrophobicContact CZ-CD2 4.18Å; F787-L826 HydrophobicContact CZ-CG 3.78Å; F787-L840 HydrophobicContact CD1-CD1 4.45Å; F787-L840 HydrophobicContact CD2-CD1 3.98Å; F787-L840 HydrophobicContact CE1-CD1 4.36Å; F787-L840 HydrophobicContact CE2-CD1 3.87Å; F787-L840 HydrophobicContact CG-CD1 4.27Å; F787-L840 HydrophobicContact CZ-CD1 4.07Å
788	Q	90.6	Very high	88	Confident	137 Å²	137	54.2 Å²	54.2	64%	0.64	28%	0.279	S	S	*	.	H	α-helix	trans	-73.5	-49.2	174.6	-58.4	-176.8	3.4	0	0	109.2	D786 L790 E791 E792	D786-Q788 VanDerWaalsContact C-N 3.29Å; D786-Q788 PolarHBondContact O-N 3.31Å; D786-Q788 WeakPolarHBondContact OD1-CA 3.47Å; D786-Q788 WeakPolarHBondContact OD1-CB 3.45Å; D786-Q788 PolarHBondContact OD1-N 3.47Å; Q788-L790 PolarHBondContact O-N 2.89Å; Q788-E791 PolarHBondContact O-N 3.2Å; Q788-E792 PolarHBondContact O-N 3.25Å; Q788-E792 VanDerWaalsContact O-N 3.16Å
789	A	89.5	Confident	88	Confident	24 Å²	24	57 Å²	57	20%	0.198	31%	0.31	C	S	.	.	H	α-helix	trans	-56.7	-35	172.3	0	0	0	0	0	112.7	D786 T793	D786-A789 HydrophobicContact CB-CB 4.21Å; D786-A789 PolarHBondContact OD1-N 3.48Å; D786-A789 WeakPolarHBondContact OD2-CB 3.5Å; A789-T793 PolarHBondContact O-N 3.3Å; A789-T793 PolarHBondContact O-OG1 3.49Å
790	L	91.3	Very high	88.2	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-41	174.4	-172.2	62.1	0	0	0	113	D786 F787 Q788 E792 T793 T794 W811 L826 L840 L843 M845	D786-L790 PolarHBondContact O-N 3.03Å; F787-L790 HydrophobicContact CD1-CD2 3.96Å; F787-L790 HydrophobicContact CE1-CD2 4.11Å; Q788-L790 PolarHBondContact O-N 2.89Å; L790-E792 VanDerWaalsContact C-N 3.29Å; L790-E792 PolarHBondContact O-N 2.83Å; L790-T793 PolarHBondContact O-N 3.01Å; L790-T794 WeakPolarHBondContact O-CB 3.42Å; L790-T794 PolarHBondContact O-N 2.97Å; L790-T794 VanDerWaalsContact O-N 3.07Å; L790-T794 PolarHBondContact O-OG1 2.82Å; L790-W811 HydrophobicContact CD2-CH2 4.33Å; L790-W811 HydrophobicContact CG-CH2 4.08Å; L790-L826 HydrophobicContact CD2-CD2 4.27Å; L790-L840 HydrophobicContact CB-CB 3.93Å; L790-L840 HydrophobicContact CD1-CB 4.27Å; L790-L840 WeakPolarHBondContact CD1-O 3.17Å; L790-L840 HydrophobicContact CD2-CD1 4.38Å; L790-L840 HydrophobicContact CG-CB 4.48Å; L790-L843 HydrophobicContact CD1-CB 4.15Å; L790-L843 HydrophobicContact CD1-CD2 3.89Å; L790-L843 HydrophobicContact CD1-CG 4.4Å; L790-M845 HydrophobicContact CD1-CB 4.06Å; L790-M845 HydrophobicContact CD1-CE 4.44Å; L790-M845 HydrophobicContact CD2-CE 4Å; L790-M845 HydrophobicContact CD2-SD 4.33Å; L790-M845 HydrophobicContact CG-CE 4.07Å
791	E	93.3	Very high	88.6	Confident	51 Å²	51	61.3 Å²	61.3	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-35.7	177.7	177.9	173.7	170.1	0	0	112.1	F787 Q788 W811 H815	F787-E791 PolarHBondContact O-N 2.99Å; F787-E791 VanDerWaalsContact O-N 3.16Å; Q788-E791 PolarHBondContact O-N 3.2Å; E791-W811 HydrophobicContact CB-CD2 3.84Å; E791-W811 HydrophobicContact CB-CE3 3.73Å; E791-W811 HydrophobicContact CB-CH2 3.93Å; E791-W811 HydrophobicContact CB-CZ2 4.03Å; E791-W811 HydrophobicContact CB-CZ3 3.76Å; E791-W811 HydrophobicContact CG-CD2 3.64Å; E791-W811 HydrophobicContact CG-CE3 4.06Å; E791-W811 HydrophobicContact CG-CG 3.87Å; E791-W811 HydrophobicContact CG-CZ2 4.21Å; E791-W811 HydrophobicContact CG-CZ3 4.49Å; E791-H815 IonicContact OE2-CD2 2.69Å; E791-H815 IonicContact OE2-CE1 2.68Å; E791-H815 IonicContact OE2-NE2 3.89Å; E791-H815 PolarHBondContact OE2-NE2 2.99Å
792	E	91.2	Very high	88.9	Confident	150 Å²	150	66.5 Å²	66.5	70%	0.701	36%	0.355	S	S	*	.	H	α-helix	trans	-68.2	-34.6	179.4	-68.9	-174.3	167.6	0	0	113.1	Q788 L790	Q788-E792 PolarHBondContact O-N 3.25Å; Q788-E792 VanDerWaalsContact O-N 3.16Å; L790-E792 VanDerWaalsContact C-N 3.29Å; L790-E792 PolarHBondContact O-N 2.83Å
793	T	90.2	Very high	89.5	Confident	55 Å²	55	70.9 Å²	70.9	34%	0.337	38%	0.376	S	S	.	.	H	α-helix	trans	-102.4	-1.5	-175.6	64.1	0	0	0	0	114.8	A789 L790 E795 G841	A789-T793 PolarHBondContact O-N 3.3Å; A789-T793 PolarHBondContact O-OG1 3.49Å; L790-T793 PolarHBondContact O-N 3.01Å; T793-E795 PolarHBondContact O-N 3.36Å; T793-G841 WeakPolarHBondContact CB-O 3.38Å; T793-G841 VanDerWaalsContact CG2-O 3.26Å; T793-G841 WeakPolarHBondContact CG2-O 3.48Å; T793-G841 PolarHBondContact OG1-O 3.37Å
794	T	93.8	Very high	90.5	Very high	10 Å²	10	65 Å²	65	6%	0.061	36%	0.358	C	S	.	.			trans	-68	128.5	175.8	-67.7	0	0	0	0	112	L790 Y796 W811 M845 I847	L790-T794 WeakPolarHBondContact O-CB 3.42Å; L790-T794 PolarHBondContact O-N 2.97Å; L790-T794 VanDerWaalsContact O-N 3.07Å; L790-T794 PolarHBondContact O-OG1 2.82Å; T794-Y796 HydrophobicContact CG2-CE1 3.98Å; T794-Y796 HydrophobicContact CG2-CE2 4.4Å; T794-Y796 VanDerWaalsContact O-CE2 3.25Å; T794-Y796 WeakPolarHBondContact O-CE2 3.17Å; T794-W811 HydrophobicContact CG2-CZ2 4.01Å; T794-W811 WeakPolarHBondContact OG1-CZ2 3.49Å; T794-M845 WeakPolarHBondContact CA-O 3.29Å; T794-M845 HydrophobicContact CG2-CE 3.97Å; T794-M845 VanDerWaalsContact OG1-CE 3.25Å; T794-M845 WeakPolarHBondContact OG1-CE 3.5Å; T794-I847 HydrophobicContact CG2-CD1 3.95Å; T794-I847 HydrophobicContact CG2-CG1 3.85Å
795	E	93.6	Very high	91.3	Very high	97 Å²	97	66 Å²	66	45%	0.453	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	155.5	173.6	-64.7	177.6	-162.9	0	0	110.7	T793 K844 M845 I846 I847	T793-E795 PolarHBondContact O-N 3.36Å; E795-K844 IonicContact OE1-NZ 3.74Å; E795-M845 PolarHBondContact N-O 2.88Å; E795-I846 HydrophobicContact CB-CG1 4.32Å; E795-I846 CarbonylContact O-C 3.19Å; E795-I846 WeakPolarHBondContact O-CA 3.49Å; E795-I847 PolarHBondContact O-N 3.25Å
796	Y	94.8	Very high	91.8	Very high	46 Å²	46	64.9 Å²	64.9	18%	0.18	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.4	-174.9	-57.9	-83.1	0	0	0	111	T794 Y800 K802 I807 W811 I847	T794-Y796 HydrophobicContact CG2-CE1 3.98Å; T794-Y796 HydrophobicContact CG2-CE2 4.4Å; T794-Y796 VanDerWaalsContact O-CE2 3.25Å; T794-Y796 WeakPolarHBondContact O-CE2 3.17Å; Y796-Y800 WeakPolarHBondContact CB-O 3.12Å; Y796-K802 HydrophobicContact CE2-CB 4.1Å; Y796-I807 HydrophobicContact CD1-CD1 3.77Å; Y796-I807 HydrophobicContact CD1-CG1 3.94Å; Y796-I807 HydrophobicContact CD1-CG2 4.14Å; Y796-I807 HydrophobicContact CE1-CB 4.25Å; Y796-I807 HydrophobicContact CE1-CD1 3.77Å; Y796-I807 HydrophobicContact CE1-CG1 3.92Å; Y796-I807 HydrophobicContact CE1-CG2 3.31Å; Y796-W811 PolarHBondContact OH-NE1 2.71Å; Y796-I847 WeakPolarHBondContact CA-O 3.04Å; Y796-I847 HydrophobicContact CD1-CB 4.06Å; Y796-I847 HydrophobicContact CE1-CB 4.29Å; Y796-I847 HydrophobicContact CE1-CD1 4.16Å
797	D	92.4	Very high	92.2	Very high	105 Å²	105	61.4 Å²	61.4	56%	0.561	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.2	169.3	-177.8	-171.1	29.7	0	0	0	112.7	G799 I846 I847 A848 K849	D797-G799 VanDerWaalsContact C-N 3.26Å; D797-G799 PolarHBondContact O-N 3.15Å; D797-I846 HydrophobicContact CB-CG2 4.25Å; D797-I847 PolarHBondContact N-O 3.23Å; D797-A848 HydrophobicContact CB-CB 4.14Å; D797-A848 WeakPolarHBondContact O-CA 3.43Å; D797-K849 PolarHBondContact O-N 3.09Å; D797-K849 VanDerWaalsContact O-N 3.14Å
798	G	88.1	Confident	92.5	Very high	42 Å²	42	65.3 Å²	65.3	43%	0.433	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	18.9	-178.1	0	0	0	0	0	113.6	K849	G798-K849 WeakPolarHBondContact O-CB 3.18Å; G798-K849 WeakPolarHBondContact O-CD 3.23Å
799	G	88.9	Confident	92.7	Very high	68 Å²	68	60.3 Å²	60.3	70%	0.701	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	6.1	-179.1	0	0	0	0	0	115.1	D797	D797-G799 VanDerWaalsContact C-N 3.26Å; D797-G799 PolarHBondContact O-N 3.15Å
800	Y	94.6	Very high	93	Very high	10 Å²	10	59.2 Å²	59.2	4%	0.039	31%	0.312	C	S	.	.			trans	-76.2	156.5	163.2	-68	-28.2	0	0	0	111.7	Y796 I806 I807 I847 K849 L869 E871	Y796-Y800 WeakPolarHBondContact CB-O 3.12Å; Y800-I806 HydrophobicContact CD1-CG2 3.91Å; Y800-I806 HydrophobicContact CE1-CG2 3.49Å; Y800-I806 VanDerWaalsContact CE1-CG2 3.49Å; Y800-I807 HydrophobicContact CD2-CD1 3.98Å; Y800-I807 HydrophobicContact CG-CD1 4.14Å; Y800-I807 HydrophobicContact CG-CG1 4.32Å; Y800-I847 HydrophobicContact CD2-CG2 4.21Å; Y800-I847 HydrophobicContact CE2-CG2 4.46Å; Y800-K849 HydrophobicContact CD1-CB 4.27Å; Y800-K849 HydrophobicContact CD1-CD 4.23Å; Y800-K849 HydrophobicContact CD2-CB 3.89Å; Y800-K849 HydrophobicContact CE1-CB 3.99Å; Y800-K849 HydrophobicContact CE1-CD 3.74Å; Y800-K849 HydrophobicContact CE1-CG 3.86Å; Y800-K849 HydrophobicContact CE2-CB 3.61Å; Y800-K849 HydrophobicContact CE2-CG 4.12Å; Y800-K849 HydrophobicContact CG-CB 4.21Å; Y800-L869 HydrophobicContact CE2-CB 4.24Å; Y800-L869 WeakPolarHBondContact CE2-O 3.29Å; Y800-L869 PolarHBondContact OH-O 3.38Å; Y800-E871 HydrophobicContact CE1-CB 4.41Å; Y800-E871 HydrophobicContact CE1-CG 4.38Å; Y800-E871 VanDerWaalsContact OH-CA 3.27Å; Y800-E871 WeakPolarHBondContact OH-CA 3.23Å; Y800-E871 WeakPolarHBondContact OH-CB 3.46Å; Y800-E871 PolarHBondContact OH-N 3.44Å
801	N	93.1	Very high	93.2	Very high	83 Å²	83	59.4 Å²	59.4	44%	0.444	31%	0.313	S	S	.	.			trans	-151.9	168.2	172.4	58.8	29.4	0	0	0	109.7	D803 S804	N801-D803 PolarHBondContact O-N 2.97Å; N801-D803 PolarHBondContact OD1-N 3.1Å; N801-S804 PolarHBondContact N-OG 2.84Å; N801-S804 VanDerWaalsContact N-OG 3.15Å; N801-S804 VanDerWaalsContact O-CB 3.23Å; N801-S804 WeakPolarHBondContact O-CB 3.26Å; N801-S804 PolarHBondContact O-N 3.02Å; N801-S804 PolarHBondContact O-OG 3.47Å; N801-S804 PolarHBondContact OD1-N 3.28Å; N801-S804 PolarHBondContact OD1-OG 3.02Å
802	K	91.9	Very high	93.3	Very high	108 Å²	108	62.2 Å²	62.2	47%	0.47	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.4	179.3	-170.1	163.5	-179.4	156.9	0	113.7	Y796 K808	Y796-K802 HydrophobicContact CE2-CB 4.1Å; K802-K808 WeakPolarHBondContact O-CE 3.36Å
803	D	93.2	Very high	93.4	Very high	121 Å²	121	55.1 Å²	55.1	65%	0.647	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.3	178.8	-86.2	-54.4	0	0	0	115.7	N801 K808	N801-D803 PolarHBondContact O-N 2.97Å; N801-D803 PolarHBondContact OD1-N 3.1Å; D803-K808 PolarHBondContact O-NZ 3.01Å; D803-K808 VanDerWaalsContact O-NZ 3.09Å; D803-K808 IonicContact OD1-NZ 2.74Å; D803-K808 PolarHBondContact OD1-NZ 3.32Å
804	S	93.9	Very high	93.6	Very high	24 Å²	24	52.5 Å²	52.5	17%	0.168	28%	0.277	C	S	.	.			trans	-62.3	134.9	-175.3	-68.3	0	0	0	0	111.6	N801 I806 I807 K808	N801-S804 PolarHBondContact N-OG 2.84Å; N801-S804 VanDerWaalsContact N-OG 3.15Å; N801-S804 VanDerWaalsContact O-CB 3.23Å; N801-S804 WeakPolarHBondContact O-CB 3.26Å; N801-S804 PolarHBondContact O-N 3.02Å; N801-S804 PolarHBondContact O-OG 3.47Å; N801-S804 PolarHBondContact OD1-N 3.28Å; N801-S804 PolarHBondContact OD1-OG 3.02Å; S804-I806 VanDerWaalsContact C-N 3.28Å; S804-I806 PolarHBondContact O-N 2.81Å; S804-I807 WeakPolarHBondContact O-CB 3.05Å; S804-I807 PolarHBondContact O-N 3.47Å; S804-K808 PolarHBondContact O-N 3.37Å; S804-K808 VanDerWaalsContact O-N 3.1Å
805	R	93.7	Very high	93.6	Very high	143 Å²	143	54.9 Å²	54.9	54%	0.54	29%	0.287	S	S	.	.	H	α-helix	trans	-51.6	-47.4	-177.9	-168.3	-164.1	73.8	-167.7	-0.3	112.1	I807 K808 E809 Y872 S873	R805-I807 VanDerWaalsContact C-N 3.28Å; R805-I807 PolarHBondContact O-N 3Å; R805-K808 PolarHBondContact O-N 3.44Å; R805-E809 WeakPolarHBondContact CD-OE1 3.18Å; R805-E809 HydrophobicContact CG-CG 4.48Å; R805-E809 VanDerWaalsContact CG-OE1 3.26Å; R805-E809 WeakPolarHBondContact CG-OE1 3.26Å; R805-E809 IonicContact CZ-OE1 2.85Å; R805-E809 IonicContact NE-OE1 3.58Å; R805-E809 PolarHBondContact NE-OE1 3.33Å; R805-E809 VanDerWaalsContact NE-OE1 3.08Å; R805-E809 IonicContact NE-OE2 2.7Å; R805-E809 WeakPolarHBondContact O-CB 3.46Å; R805-E809 WeakPolarHBondContact O-CG 3.48Å; R805-E809 PolarHBondContact O-N 3.45Å; R805-Y872 PolarHBondContact NH2-O 2.84Å; R805-S873 PolarHBondContact NH2-O 2.93Å
806	I	93.8	Very high	93.6	Very high	6 Å²	6	53.3 Å²	53.3	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-30.8	-178.8	-163.7	66.7	0	0	0	113	Y800 S804 F810 L869 L878	Y800-I806 HydrophobicContact CD1-CG2 3.91Å; Y800-I806 HydrophobicContact CE1-CG2 3.49Å; Y800-I806 VanDerWaalsContact CE1-CG2 3.49Å; S804-I806 VanDerWaalsContact C-N 3.28Å; S804-I806 PolarHBondContact O-N 2.81Å; I806-F810 WeakPolarHBondContact O-CB 3.34Å; I806-F810 PolarHBondContact O-N 2.76Å; I806-L869 HydrophobicContact CG1-CD2 4.43Å; I806-L878 HydrophobicContact CD1-CD1 3.51Å; I806-L878 HydrophobicContact CG1-CD1 3.9Å
807	I	95.9	Very high	93.5	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-75	-42.2	178.1	-64.4	-52.7	0	0	0	110.7	Y796 Y800 S804 R805 F810 W811 I847	Y796-I807 HydrophobicContact CD1-CD1 3.77Å; Y796-I807 HydrophobicContact CD1-CG1 3.94Å; Y796-I807 HydrophobicContact CD1-CG2 4.14Å; Y796-I807 HydrophobicContact CE1-CB 4.25Å; Y796-I807 HydrophobicContact CE1-CD1 3.77Å; Y796-I807 HydrophobicContact CE1-CG1 3.92Å; Y796-I807 HydrophobicContact CE1-CG2 3.31Å; Y800-I807 HydrophobicContact CD2-CD1 3.98Å; Y800-I807 HydrophobicContact CG-CD1 4.14Å; Y800-I807 HydrophobicContact CG-CG1 4.32Å; S804-I807 WeakPolarHBondContact O-CB 3.05Å; S804-I807 PolarHBondContact O-N 3.47Å; R805-I807 VanDerWaalsContact C-N 3.28Å; R805-I807 PolarHBondContact O-N 3Å; I807-F810 WeakPolarHBondContact O-CB 3.47Å; I807-F810 PolarHBondContact O-N 3.14Å; I807-W811 PolarHBondContact O-N 3.39Å; I807-I847 HydrophobicContact CD1-CB 4.42Å; I807-I847 HydrophobicContact CD1-CG2 3.8Å
808	K	94.8	Very high	93.6	Very high	91 Å²	91	49.1 Å²	49.1	40%	0.396	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-45.8	172.9	-70.5	170.3	176	159.7	0	111.2	K802 D803 S804 R805 F810 W811 E812	K802-K808 WeakPolarHBondContact O-CE 3.36Å; D803-K808 PolarHBondContact O-NZ 3.01Å; D803-K808 VanDerWaalsContact O-NZ 3.09Å; D803-K808 IonicContact OD1-NZ 2.74Å; D803-K808 PolarHBondContact OD1-NZ 3.32Å; S804-K808 PolarHBondContact O-N 3.37Å; S804-K808 VanDerWaalsContact O-N 3.1Å; R805-K808 PolarHBondContact O-N 3.44Å; K808-F810 VanDerWaalsContact C-N 3.28Å; K808-F810 PolarHBondContact O-N 3.47Å; K808-W811 PolarHBondContact O-N 3.24Å; K808-E812 WeakPolarHBondContact O-CB 3.3Å; K808-E812 VanDerWaalsContact O-CG 3.31Å; K808-E812 WeakPolarHBondContact O-CG 3.46Å; K808-E812 PolarHBondContact O-N 3.3Å
809	E	94.9	Very high	93.6	Very high	32 Å²	32	53.2 Å²	53.2	15%	0.15	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-34.8	173.9	-72.9	173.8	-167.5	0	0	112.7	R805 T813 K875	R805-E809 WeakPolarHBondContact CD-OE1 3.18Å; R805-E809 HydrophobicContact CG-CG 4.48Å; R805-E809 VanDerWaalsContact CG-OE1 3.26Å; R805-E809 WeakPolarHBondContact CG-OE1 3.26Å; R805-E809 IonicContact CZ-OE1 2.85Å; R805-E809 IonicContact NE-OE1 3.58Å; R805-E809 PolarHBondContact NE-OE1 3.33Å; R805-E809 VanDerWaalsContact NE-OE1 3.08Å; R805-E809 IonicContact NE-OE2 2.7Å; R805-E809 WeakPolarHBondContact O-CB 3.46Å; R805-E809 WeakPolarHBondContact O-CG 3.48Å; R805-E809 PolarHBondContact O-N 3.45Å; E809-T813 VanDerWaalsContact O-CB 3.28Å; E809-T813 WeakPolarHBondContact O-CB 3.37Å; E809-T813 PolarHBondContact O-N 3.5Å; E809-T813 VanDerWaalsContact O-N 3.13Å; E809-T813 PolarHBondContact O-OG1 2.82Å; E809-K875 HydrophobicContact CB-CB 4.19Å; E809-K875 HydrophobicContact CB-CD 4.42Å; E809-K875 HydrophobicContact CB-CG 4.1Å; E809-K875 HydrophobicContact CG-CB 4Å; E809-K875 HydrophobicContact CG-CD 4.33Å; E809-K875 HydrophobicContact CG-CG 4.28Å; E809-K875 PolarHBondContact OE2-N 3.25Å
810	F	95.9	Very high	93.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-53.7	174.6	171.7	-92.8	0	0	0	111.9	I806 I807 K808 T813 L814 F825 I847 L867 L869 L878 L882	I806-F810 WeakPolarHBondContact O-CB 3.34Å; I806-F810 PolarHBondContact O-N 2.76Å; I807-F810 WeakPolarHBondContact O-CB 3.47Å; I807-F810 PolarHBondContact O-N 3.14Å; K808-F810 VanDerWaalsContact C-N 3.28Å; K808-F810 PolarHBondContact O-N 3.47Å; F810-T813 CarbonylContact O-C 3.58Å; F810-T813 WeakPolarHBondContact O-CA 3.49Å; F810-T813 WeakPolarHBondContact O-CB 3.47Å; F810-T813 PolarHBondContact O-N 2.83Å; F810-L814 HydrophobicContact CE1-CD2 3.91Å; F810-L814 HydrophobicContact CZ-CD2 3.89Å; F810-L814 PolarHBondContact O-N 2.97Å; F810-F825 HydrophobicContact CE2-CE2 4.07Å; F810-F825 HydrophobicContact CE2-CZ 4.44Å; F810-F825 AromaticContact CZ-CE2 3.77Å; F810-F825 HydrophobicContact CZ-CE2 3.77Å; F810-F825 AromaticContact CZ-CZ 3.7Å; F810-F825 HydrophobicContact CZ-CZ 3.7Å; F810-I847 HydrophobicContact CD1-CD1 3.79Å; F810-I847 HydrophobicContact CE1-CD1 3.44Å; F810-I847 VanDerWaalsContact CE1-CD1 3.44Å; F810-I847 HydrophobicContact CZ-CD1 3.93Å; F810-L867 HydrophobicContact CD2-CD2 4.49Å; F810-L867 HydrophobicContact CE2-CD2 3.56Å; F810-L867 HydrophobicContact CZ-CD2 3.74Å; F810-L869 HydrophobicContact CD2-CD2 4.12Å; F810-L869 HydrophobicContact CG-CD2 4.46Å; F810-L878 HydrophobicContact CB-CD1 4.04Å; F810-L878 HydrophobicContact CB-CD2 4.5Å; F810-L882 HydrophobicContact CD2-CD2 4.06Å; F810-L882 HydrophobicContact CE2-CD1 4.37Å; F810-L882 HydrophobicContact CE2-CD2 3.77Å
811	W	95.8	Very high	93.3	Very high	5 Å²	5	58.5 Å²	58.5	2%	0.019	29%	0.286	C	S	.	.	H	α-helix	trans	-65.4	-42.6	-178.9	-72.8	115.3	0	0	0	112.5	L790 E791 T794 Y796 I807 K808 T813 L814 H815 M845 I847	L790-W811 HydrophobicContact CD2-CH2 4.33Å; L790-W811 HydrophobicContact CG-CH2 4.08Å; E791-W811 HydrophobicContact CB-CD2 3.84Å; E791-W811 HydrophobicContact CB-CE3 3.73Å; E791-W811 HydrophobicContact CB-CH2 3.93Å; E791-W811 HydrophobicContact CB-CZ2 4.03Å; E791-W811 HydrophobicContact CB-CZ3 3.76Å; E791-W811 HydrophobicContact CG-CD2 3.64Å; E791-W811 HydrophobicContact CG-CE3 4.06Å; E791-W811 HydrophobicContact CG-CG 3.87Å; E791-W811 HydrophobicContact CG-CZ2 4.21Å; E791-W811 HydrophobicContact CG-CZ3 4.49Å; T794-W811 HydrophobicContact CG2-CZ2 4.01Å; T794-W811 WeakPolarHBondContact OG1-CZ2 3.49Å; Y796-W811 PolarHBondContact OH-NE1 2.71Å; I807-W811 PolarHBondContact O-N 3.39Å; K808-W811 PolarHBondContact O-N 3.24Å; W811-T813 PolarHBondContact O-N 3.1Å; W811-L814 HydrophobicContact CE3-CD2 4.05Å; W811-L814 HydrophobicContact CH2-CD2 4.44Å; W811-L814 HydrophobicContact CZ3-CD2 3.71Å; W811-L814 PolarHBondContact O-N 3.08Å; W811-H815 WeakPolarHBondContact O-CB 3.16Å; W811-H815 PolarHBondContact O-CD2 3Å; W811-H815 PolarHBondContact O-N 2.69Å; W811-M845 HydrophobicContact CH2-CE 3.45Å; W811-M845 VanDerWaalsContact CH2-CE 3.45Å; W811-M845 HydrophobicContact CZ2-CE 3.75Å; W811-I847 HydrophobicContact CZ2-CD1 4.21Å
812	E	94.7	Very high	93.3	Very high	110 Å²	110	56.4 Å²	56.4	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-56.8	-34.4	171.1	-72.1	176.1	-164.4	0	0	112.3	K808 S816 K875	K808-E812 WeakPolarHBondContact O-CB 3.3Å; K808-E812 VanDerWaalsContact O-CG 3.31Å; K808-E812 WeakPolarHBondContact O-CG 3.46Å; K808-E812 PolarHBondContact O-N 3.3Å; E812-S816 WeakPolarHBondContact O-CB 3.45Å; E812-S816 PolarHBondContact O-OG 3.02Å; E812-K875 IonicContact OE2-NZ 3.08Å; E812-K875 PolarHBondContact OE2-NZ 2.85Å
813	T	94.3	Very high	93.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.9	-48.9	177.4	-62.6	0	0	0	0	111.2	E809 F810 W811 S816 F817 K875 L878 R879	E809-T813 VanDerWaalsContact O-CB 3.28Å; E809-T813 WeakPolarHBondContact O-CB 3.37Å; E809-T813 PolarHBondContact O-N 3.5Å; E809-T813 VanDerWaalsContact O-N 3.13Å; E809-T813 PolarHBondContact O-OG1 2.82Å; F810-T813 CarbonylContact O-C 3.58Å; F810-T813 WeakPolarHBondContact O-CA 3.49Å; F810-T813 WeakPolarHBondContact O-CB 3.47Å; F810-T813 PolarHBondContact O-N 2.83Å; W811-T813 PolarHBondContact O-N 3.1Å; T813-S816 PolarHBondContact O-N 2.99Å; T813-S816 PolarHBondContact O-OG 3.04Å; T813-F817 HydrophobicContact CG2-CD1 4.41Å; T813-F817 HydrophobicContact CG2-CE1 3.58Å; T813-F817 HydrophobicContact CG2-CZ 3.83Å; T813-F817 VanDerWaalsContact O-CD1 3.24Å; T813-F817 WeakPolarHBondContact O-CD1 3.31Å; T813-F817 PolarHBondContact O-N 3.44Å; T813-K875 WeakPolarHBondContact OG1-CE 3.38Å; T813-L878 HydrophobicContact CG2-CD2 4.01Å; T813-R879 HydrophobicContact CG2-CB 3.8Å; T813-R879 HydrophobicContact CG2-CG 3.79Å
814	L	93.9	Very high	92.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.4	-39.7	-178.3	-175.8	59.2	0	0	0	112.4	F787 F810 W811 S816 F817 K822 F825	F787-L814 HydrophobicContact CD1-CD2 3.89Å; F787-L814 HydrophobicContact CD1-CG 4.05Å; F787-L814 HydrophobicContact CE1-CD1 4.24Å; F787-L814 HydrophobicContact CE1-CD2 4.09Å; F787-L814 HydrophobicContact CE1-CG 4.25Å; F810-L814 HydrophobicContact CE1-CD2 3.91Å; F810-L814 HydrophobicContact CZ-CD2 3.89Å; F810-L814 PolarHBondContact O-N 2.97Å; W811-L814 HydrophobicContact CE3-CD2 4.05Å; W811-L814 HydrophobicContact CH2-CD2 4.44Å; W811-L814 HydrophobicContact CZ3-CD2 3.71Å; W811-L814 PolarHBondContact O-N 3.08Å; L814-S816 PolarHBondContact O-N 3.06Å; L814-F817 HydrophobicContact CD1-CD2 3.77Å; L814-F817 HydrophobicContact CD1-CE2 4.24Å; L814-F817 WeakPolarHBondContact O-CB 3.25Å; L814-F817 PolarHBondContact O-N 3.4Å; L814-F817 VanDerWaalsContact O-N 3.16Å; L814-K822 WeakPolarHBondContact O-CE 3.48Å; L814-F825 HydrophobicContact CD1-CB 4.02Å; L814-F825 HydrophobicContact CD1-CD1 3.72Å; L814-F825 HydrophobicContact CD1-CD2 4.15Å; L814-F825 HydrophobicContact CD1-CE1 4.3Å; L814-F825 HydrophobicContact CD1-CG 3.64Å; L814-F825 HydrophobicContact CD2-CD1 3.91Å; L814-F825 HydrophobicContact CD2-CE1 3.65Å; L814-F825 HydrophobicContact CD2-CG 4.46Å; L814-F825 HydrophobicContact CD2-CZ 3.99Å; L814-F825 HydrophobicContact CG-CD1 4.48Å
815	H	93.9	Very high	92.7	Very high	60 Å²	60	50 Å²	50	28%	0.278	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-33.2	174.3	-74.8	-52.3	0	0	0	112.4	F787 E791 W811 F817 K822	F787-H815 PolarHBondContact O-CE1 3.26Å; E791-H815 IonicContact OE2-CD2 2.69Å; E791-H815 IonicContact OE2-CE1 2.68Å; E791-H815 IonicContact OE2-NE2 3.89Å; E791-H815 PolarHBondContact OE2-NE2 2.99Å; W811-H815 WeakPolarHBondContact O-CB 3.16Å; W811-H815 PolarHBondContact O-CD2 3Å; W811-H815 PolarHBondContact O-N 2.69Å; H815-F817 VanDerWaalsContact C-N 3.3Å; H815-F817 PolarHBondContact O-N 3.28Å; H815-K822 WeakPolarHBondContact O-CE 3.27Å; H815-K822 PolarHBondContact O-NZ 2.83Å
816	S	93.6	Very high	92.5	Very high	65 Å²	65	43.2 Å²	43.2	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.6	177.2	77.9	0	0	0	0	115.5	E812 T813 L814 R879	E812-S816 WeakPolarHBondContact O-CB 3.45Å; E812-S816 PolarHBondContact O-OG 3.02Å; T813-S816 PolarHBondContact O-N 2.99Å; T813-S816 PolarHBondContact O-OG 3.04Å; L814-S816 PolarHBondContact O-N 3.06Å; S816-R879 PolarHBondContact OG-NH1 3.46Å
817	F	93.1	Very high	92	Very high	8 Å²	8	45.4 Å²	45.4	4%	0.035	22%	0.221	C	C	.	.	S	Bend	trans	-78.5	152.2	174.2	-77.6	0.4	0	0	0	112	T813 L814 H815 Q821 K822 R879 L882 I886	T813-F817 HydrophobicContact CG2-CD1 4.41Å; T813-F817 HydrophobicContact CG2-CE1 3.58Å; T813-F817 HydrophobicContact CG2-CZ 3.83Å; T813-F817 VanDerWaalsContact O-CD1 3.24Å; T813-F817 WeakPolarHBondContact O-CD1 3.31Å; T813-F817 PolarHBondContact O-N 3.44Å; L814-F817 HydrophobicContact CD1-CD2 3.77Å; L814-F817 HydrophobicContact CD1-CE2 4.24Å; L814-F817 WeakPolarHBondContact O-CB 3.25Å; L814-F817 PolarHBondContact O-N 3.4Å; L814-F817 VanDerWaalsContact O-N 3.16Å; H815-F817 VanDerWaalsContact C-N 3.3Å; H815-F817 PolarHBondContact O-N 3.28Å; F817-Q821 HydrophobicContact CB-CB 3.73Å; F817-Q821 HydrophobicContact CD2-CB 3.95Å; F817-Q821 HydrophobicContact CG-CB 3.95Å; F817-K822 HydrophobicContact CB-CG 4.03Å; F817-K822 VanDerWaalsContact O-CE 3.25Å; F817-K822 WeakPolarHBondContact O-CE 3.32Å; F817-K822 PolarHBondContact O-NZ 3.33Å; F817-R879 HydrophobicContact CE1-CG 4.3Å; F817-L882 HydrophobicContact CE2-CD2 3.95Å; F817-L882 HydrophobicContact CE2-CG 4.27Å; F817-L882 HydrophobicContact CZ-CD2 4.01Å; F817-L882 HydrophobicContact CZ-CG 4.33Å; F817-I886 HydrophobicContact CD2-CD1 4.21Å; F817-I886 HydrophobicContact CE2-CD1 3.75Å
818	S	92.6	Very high	91.6	Very high	54 Å²	54	46.5 Å²	46.5	38%	0.378	23%	0.225	S	C	.	.			trans	-65.3	162.9	169.4	68.8	0	0	0	0	111.1	E820 Q821 K822	S818-E820 PolarHBondContact O-N 3.05Å; S818-Q821 VanDerWaalsContact N-OE1 3.09Å; S818-Q821 PolarHBondContact O-N 3.4Å; S818-Q821 WeakPolarHBondContact OG-CG 3.38Å; S818-Q821 PolarHBondContact OG-N 3.5Å; S818-K822 WeakPolarHBondContact O-CB 3.38Å; S818-K822 WeakPolarHBondContact O-CG 3.49Å; S818-K822 PolarHBondContact O-N 3.37Å
819	E	88.1	Confident	91.3	Very high	128 Å²	128	42.2 Å²	42.2	60%	0.598	21%	0.206	S	C	*	.	H	α-helix	trans	-57.7	-37.2	175.2	-70.1	-166.7	-174.4	0	0	113.1	K822 R823	E819-K822 WeakPolarHBondContact O-CB 3.25Å; E819-K822 PolarHBondContact O-N 2.89Å; E819-R823 WeakPolarHBondContact O-CB 3.43Å; E819-R823 WeakPolarHBondContact O-CG 3.34Å; E819-R823 PolarHBondContact O-N 3.05Å; E819-R823 IonicContact OE2-CZ 2.86Å; E819-R823 VanDerWaalsContact OE2-CZ 3.31Å; E819-R823 IonicContact OE2-NH1 3.86Å; E819-R823 PolarHBondContact OE2-NH1 3.05Å; E819-R823 IonicContact OE2-NH2 2.69Å; E819-R823 PolarHBondContact OE2-NH2 3.48Å
820	E	88.2	Confident	90.6	Very high	140 Å²	140	40.9 Å²	40.9	65%	0.654	20%	0.201	S	C	*	.	H	α-helix	trans	-65.2	-44.3	177.4	-175.2	179.6	-162.6	0	0	111.5	S818 K822 R823 L824	S818-E820 PolarHBondContact O-N 3.05Å; E820-K822 VanDerWaalsContact C-N 3.3Å; E820-K822 PolarHBondContact O-N 3.44Å; E820-R823 PolarHBondContact O-N 3.36Å; E820-L824 WeakPolarHBondContact O-CG 3.38Å; E820-L824 PolarHBondContact O-N 2.9Å
821	Q	90.8	Very high	89.6	Confident	49 Å²	49	41.9 Å²	41.9	23%	0.229	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-35.5	174	-73.5	168.5	-12.1	0	0	111.9	F817 S818 F825 L883 I886	F817-Q821 HydrophobicContact CB-CB 3.73Å; F817-Q821 HydrophobicContact CD2-CB 3.95Å; F817-Q821 HydrophobicContact CG-CB 3.95Å; S818-Q821 VanDerWaalsContact N-OE1 3.09Å; S818-Q821 PolarHBondContact O-N 3.4Å; S818-Q821 WeakPolarHBondContact OG-CG 3.38Å; S818-Q821 PolarHBondContact OG-N 3.5Å; Q821-F825 WeakPolarHBondContact O-CB 3.19Å; Q821-F825 PolarHBondContact O-N 3.5Å; Q821-L883 HydrophobicContact CG-CD1 4Å; Q821-I886 HydrophobicContact CB-CD1 4.45Å; Q821-I886 WeakPolarHBondContact O-CD1 3.46Å
822	K	91.4	Very high	88.7	Confident	40 Å²	40	42.1 Å²	42.1	17%	0.174	21%	0.213	C	C	.	.	H	α-helix	trans	-65.9	-43.9	173.8	-82.6	171.9	-179.3	171.9	0	112.2	F787 L814 H815 F817 S818 E819 E820 F825 L826	F787-K822 HydrophobicContact CD2-CB 4.37Å; F787-K822 HydrophobicContact CD2-CD 3.81Å; F787-K822 HydrophobicContact CD2-CG 4.14Å; F787-K822 HydrophobicContact CE1-CB 4.39Å; F787-K822 HydrophobicContact CE1-CG 4.28Å; F787-K822 HydrophobicContact CE2-CB 3.49Å; F787-K822 VanDerWaalsContact CE2-CB 3.49Å; F787-K822 HydrophobicContact CE2-CD 3.79Å; F787-K822 HydrophobicContact CE2-CG 3.72Å; F787-K822 HydrophobicContact CG-CD 4.4Å; F787-K822 HydrophobicContact CZ-CB 3.5Å; F787-K822 HydrophobicContact CZ-CD 4.37Å; F787-K822 HydrophobicContact CZ-CG 3.8Å; L814-K822 WeakPolarHBondContact O-CE 3.48Å; H815-K822 WeakPolarHBondContact O-CE 3.27Å; H815-K822 PolarHBondContact O-NZ 2.83Å; F817-K822 HydrophobicContact CB-CG 4.03Å; F817-K822 VanDerWaalsContact O-CE 3.25Å; F817-K822 WeakPolarHBondContact O-CE 3.32Å; F817-K822 PolarHBondContact O-NZ 3.33Å; S818-K822 WeakPolarHBondContact O-CB 3.38Å; S818-K822 WeakPolarHBondContact O-CG 3.49Å; S818-K822 PolarHBondContact O-N 3.37Å; E819-K822 WeakPolarHBondContact O-CB 3.25Å; E819-K822 PolarHBondContact O-N 2.89Å; E820-K822 VanDerWaalsContact C-N 3.3Å; E820-K822 PolarHBondContact O-N 3.44Å; K822-F825 PolarHBondContact O-N 3.04Å; K822-L826 PolarHBondContact O-N 3.18Å
823	R	87.5	Confident	88	Confident	81 Å²	81	39 Å²	39	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-59.3	-48.1	171.6	-79.3	178.2	-169.6	106.9	13.7	111.7	L785 E819 E820 F825 L826 Q827 D833	L785-R823 HydrophobicContact CD1-CG 3.61Å; E819-R823 WeakPolarHBondContact O-CB 3.43Å; E819-R823 WeakPolarHBondContact O-CG 3.34Å; E819-R823 PolarHBondContact O-N 3.05Å; E819-R823 IonicContact OE2-CZ 2.86Å; E819-R823 VanDerWaalsContact OE2-CZ 3.31Å; E819-R823 IonicContact OE2-NH1 3.86Å; E819-R823 PolarHBondContact OE2-NH1 3.05Å; E819-R823 IonicContact OE2-NH2 2.69Å; E819-R823 PolarHBondContact OE2-NH2 3.48Å; E820-R823 PolarHBondContact O-N 3.36Å; R823-F825 VanDerWaalsContact C-N 3.32Å; R823-F825 PolarHBondContact O-N 3.01Å; R823-L826 PolarHBondContact O-N 3.31Å; R823-Q827 PolarHBondContact O-N 2.77Å; R823-D833 HydrophobicContact CB-CB 3.8Å; R823-D833 HydrophobicContact CG-CB 4.12Å; R823-D833 WeakPolarHBondContact O-CB 3.42Å
824	L	88.6	Confident	87.4	Confident	38 Å²	38	39.5 Å²	39.5	20%	0.199	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-37.2	175	-71.2	171.9	0	0	0	112.8	E820 Q827 F828 I886	E820-L824 WeakPolarHBondContact O-CG 3.38Å; E820-L824 PolarHBondContact O-N 2.9Å; L824-Q827 PolarHBondContact O-N 3.35Å; L824-F828 VanDerWaalsContact O-CB 3.26Å; L824-F828 WeakPolarHBondContact O-CB 3.38Å; L824-F828 PolarHBondContact O-N 2.97Å; L824-I886 HydrophobicContact CB-CB 4.21Å; L824-I886 HydrophobicContact CB-CD1 4.47Å; L824-I886 HydrophobicContact CB-CG1 4.38Å
825	F	91.6	Very high	86.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.6	-40.8	174.9	169	-92.5	0	0	0	112.8	F787 F810 L814 Q821 K822 R823 F828 T829 M845 L867 L882 I886	F787-F825 AromaticContact CE1-CD1 3.99Å; F787-F825 HydrophobicContact CE1-CD1 3.99Å; F787-F825 HydrophobicContact CE1-CE1 4.42Å; F810-F825 HydrophobicContact CE2-CE2 4.07Å; F810-F825 HydrophobicContact CE2-CZ 4.44Å; F810-F825 AromaticContact CZ-CE2 3.77Å; F810-F825 HydrophobicContact CZ-CE2 3.77Å; F810-F825 AromaticContact CZ-CZ 3.7Å; F810-F825 HydrophobicContact CZ-CZ 3.7Å; L814-F825 HydrophobicContact CD1-CB 4.02Å; L814-F825 HydrophobicContact CD1-CD1 3.72Å; L814-F825 HydrophobicContact CD1-CD2 4.15Å; L814-F825 HydrophobicContact CD1-CE1 4.3Å; L814-F825 HydrophobicContact CD1-CG 3.64Å; L814-F825 HydrophobicContact CD2-CD1 3.91Å; L814-F825 HydrophobicContact CD2-CE1 3.65Å; L814-F825 HydrophobicContact CD2-CG 4.46Å; L814-F825 HydrophobicContact CD2-CZ 3.99Å; L814-F825 HydrophobicContact CG-CD1 4.48Å; Q821-F825 WeakPolarHBondContact O-CB 3.19Å; Q821-F825 PolarHBondContact O-N 3.5Å; K822-F825 PolarHBondContact O-N 3.04Å; R823-F825 VanDerWaalsContact C-N 3.32Å; R823-F825 PolarHBondContact O-N 3.01Å; F825-F828 PolarHBondContact O-N 3.33Å; F825-T829 WeakPolarHBondContact CE2-OG1 3.44Å; F825-T829 HydrophobicContact CZ-CG2 4.49Å; F825-T829 WeakPolarHBondContact CZ-OG1 3.27Å; F825-T829 WeakPolarHBondContact O-CB 3.45Å; F825-T829 PolarHBondContact O-N 2.68Å; F825-T829 PolarHBondContact O-OG1 3.36Å; F825-M845 HydrophobicContact CE1-SD 3.95Å; F825-M845 HydrophobicContact CZ-CE 4.41Å; F825-M845 HydrophobicContact CZ-SD 3.78Å; F825-L867 HydrophobicContact CE2-CD2 4.02Å; F825-L867 HydrophobicContact CZ-CD2 4.33Å; F825-L882 HydrophobicContact CD2-CD1 4.15Å; F825-L882 HydrophobicContact CE2-CD1 4.26Å; F825-I886 HydrophobicContact CB-CD1 4.32Å; F825-I886 HydrophobicContact CB-CG2 4.13Å; F825-I886 HydrophobicContact CD2-CG2 4.18Å
826	L	88.9	Confident	86.2	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-50.4	173.4	-69.2	170.5	0	0	0	110.3	L785 F787 L790 K822 R823 F828 T829 T830 T832 L840 L843	L785-L826 HydrophobicContact CD1-CD1 3.73Å; L785-L826 HydrophobicContact CD2-CD1 3.61Å; L785-L826 HydrophobicContact CG-CD1 4.16Å; F787-L826 HydrophobicContact CE1-CD2 4.24Å; F787-L826 HydrophobicContact CE1-CG 4.25Å; F787-L826 HydrophobicContact CE2-CD1 4.3Å; F787-L826 HydrophobicContact CZ-CD1 3.74Å; F787-L826 HydrophobicContact CZ-CD2 4.18Å; F787-L826 HydrophobicContact CZ-CG 3.78Å; L790-L826 HydrophobicContact CD2-CD2 4.27Å; K822-L826 PolarHBondContact O-N 3.18Å; R823-L826 PolarHBondContact O-N 3.31Å; L826-F828 PolarHBondContact O-N 3.49Å; L826-T829 PolarHBondContact O-N 3.33Å; L826-T830 PolarHBondContact O-N 2.97Å; L826-T830 PolarHBondContact O-OG1 3.28Å; L826-T832 CarbonylContact C-O 3.57Å; L826-T832 WeakPolarHBondContact CB-O 3.36Å; L826-L840 HydrophobicContact CD1-CD1 4.06Å; L826-L840 HydrophobicContact CD1-CD2 3.87Å; L826-L840 HydrophobicContact CD2-CD1 4.27Å; L826-L840 HydrophobicContact CD2-CD2 3.7Å; L826-L840 HydrophobicContact CG-CD2 4.46Å; L826-L843 HydrophobicContact CD2-CD2 4.41Å
827	Q	84.2	Confident	85.4	Confident	52 Å²	52	35.5 Å²	35.5	24%	0.243	18%	0.179	C	C	.	.	H	α-helix	trans	-55.3	-41.2	177.3	-172.7	166.2	42	0	0	111.8	R823 L824 G831 T832 D833	R823-Q827 PolarHBondContact O-N 2.77Å; L824-Q827 PolarHBondContact O-N 3.35Å; Q827-G831 WeakPolarHBondContact O-CA 3.3Å; Q827-G831 PolarHBondContact O-N 3.42Å; Q827-T832 WeakPolarHBondContact CA-O 3.45Å; Q827-T832 PolarHBondContact N-O 2.93Å; Q827-T832 VanDerWaalsContact N-O 3.16Å; Q827-D833 HydrophobicContact CB-CB 4.37Å
828	F	87.4	Confident	84.4	Confident	24 Å²	24	37 Å²	37	11%	0.105	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-38.4	174.5	178	-108.6	0	0	0	113.8	L824 F825 L826 P858 S860 T862 L867 A885 I886 A889	L824-F828 VanDerWaalsContact O-CB 3.26Å; L824-F828 WeakPolarHBondContact O-CB 3.38Å; L824-F828 PolarHBondContact O-N 2.97Å; F825-F828 PolarHBondContact O-N 3.33Å; L826-F828 PolarHBondContact O-N 3.49Å; F828-P858 WeakPolarHBondContact CZ-O 3.23Å; F828-S860 VanDerWaalsContact O-CB 3.23Å; F828-S860 WeakPolarHBondContact O-CB 3.43Å; F828-S860 PolarHBondContact O-OG 2.68Å; F828-T862 WeakPolarHBondContact O-CG2 3.26Å; F828-L867 HydrophobicContact CD1-CD1 4.24Å; F828-L867 HydrophobicContact CE1-CD1 3.72Å; F828-A885 HydrophobicContact CE1-CB 4.27Å; F828-A885 HydrophobicContact CE2-CB 4.18Å; F828-A885 HydrophobicContact CZ-CB 3.87Å; F828-I886 HydrophobicContact CB-CB 4.36Å; F828-I886 HydrophobicContact CB-CG2 3.9Å; F828-I886 HydrophobicContact CD1-CG2 3.94Å; F828-I886 HydrophobicContact CG-CG2 3.98Å; F828-A889 HydrophobicContact CD2-CB 3.58Å; F828-A889 HydrophobicContact CE2-CB 4.15Å
829	T	87.6	Confident	83.9	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-93.4	-29.9	-171.1	-49.8	0	0	0	0	113.2	F825 L826 M845 T862 N865 L867	F825-T829 WeakPolarHBondContact CE2-OG1 3.44Å; F825-T829 HydrophobicContact CZ-CG2 4.49Å; F825-T829 WeakPolarHBondContact CZ-OG1 3.27Å; F825-T829 WeakPolarHBondContact O-CB 3.45Å; F825-T829 PolarHBondContact O-N 2.68Å; F825-T829 PolarHBondContact O-OG1 3.36Å; L826-T829 PolarHBondContact O-N 3.33Å; T829-M845 HydrophobicContact CG2-CG 4.08Å; T829-M845 HydrophobicContact CG2-SD 3.86Å; T829-T862 WeakPolarHBondContact O-CA 3.35Å; T829-N865 WeakPolarHBondContact O-CA 3.21Å; T829-L867 HydrophobicContact CG2-CB 4.07Å
830	T	80.1	Confident	83.8	Confident	4 Å²	4	29 Å²	29	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-118.1	-16.1	-173.6	76.3	0	0	0	0	113	K592 L826 T832 L843	K592-T830 VanDerWaalsContact CE-O 3.31Å; K592-T830 WeakPolarHBondContact CE-O 3.43Å; K592-T830 PolarHBondContact NZ-O 3.15Å; L826-T830 PolarHBondContact O-N 2.97Å; L826-T830 PolarHBondContact O-OG1 3.28Å; T830-T832 PolarHBondContact OG1-N 2.78Å; T830-T832 VanDerWaalsContact OG1-N 3.12Å; T830-T832 PolarHBondContact OG1-O 3.34Å; T830-L843 HydrophobicContact CG2-CD1 4.03Å; T830-L843 HydrophobicContact CG2-CD2 3.49Å; T830-L843 VanDerWaalsContact CG2-CD2 3.49Å; T830-L843 HydrophobicContact CG2-CG 4.36Å
831	G	75.8	Confident	83.4	Confident	21 Å²	21	23.3 Å²	23.3	22%	0.216	14%	0.136	C	C	.	.	S	Bend	trans	82.9	5.3	-171.7	0	0	0	0	0	115.1	Q827	Q827-G831 WeakPolarHBondContact O-CA 3.3Å; Q827-G831 PolarHBondContact O-N 3.42Å
832	T	76.3	Confident	82.7	Confident	10 Å²	10	27.6 Å²	27.6	6%	0.061	15%	0.154	C	C	.	.	S	Bend	trans	-147.8	148.8	173.4	174.1	0	0	0	0	110.4	I648 L826 Q827 T830 R834	I648-T832 HydrophobicContact CD1-CG2 3.73Å; I648-T832 HydrophobicContact CG1-CG2 4.24Å; L826-T832 CarbonylContact C-O 3.57Å; L826-T832 WeakPolarHBondContact CB-O 3.36Å; Q827-T832 WeakPolarHBondContact CA-O 3.45Å; Q827-T832 PolarHBondContact N-O 2.93Å; Q827-T832 VanDerWaalsContact N-O 3.16Å; T830-T832 PolarHBondContact OG1-N 2.78Å; T830-T832 VanDerWaalsContact OG1-N 3.12Å; T830-T832 PolarHBondContact OG1-O 3.34Å; T832-R834 VanDerWaalsContact C-N 3.25Å; T832-R834 PolarHBondContact O-N 3.06Å; T832-R834 PolarHBondContact OG1-N 3.05Å
833	D	80.4	Confident	82.3	Confident	44 Å²	44	26.3 Å²	26.3	24%	0.235	15%	0.149	C	C	.	.	S	Bend	trans	-83.9	1.1	176.6	77.6	-29.6	0	0	0	113.9	R823 Q827	R823-D833 HydrophobicContact CB-CB 3.8Å; R823-D833 HydrophobicContact CG-CB 4.12Å; R823-D833 WeakPolarHBondContact O-CB 3.42Å; Q827-D833 HydrophobicContact CB-CB 4.37Å
834	R	80.3	Confident	82	Confident	11 Å²	11	28.9 Å²	28.9	4%	0.042	16%	0.162	C	C	.	.	S	Bend	trans	-101	156.7	-177.7	-63.8	-175.8	176.9	-138.1	13.5	113.3	H652 E776 C780 G781 T832	H652-R834 PolarHBondContact CD2-NH2 3.45Å; H652-R834 PolarHBondContact NE2-NH2 3.28Å; E776-R834 IonicContact OE1-NH1 2.68Å; E776-R834 PolarHBondContact OE1-NH1 3.13Å; C780-R834 WeakPolarHBondContact O-CD 3.43Å; G781-R834 PolarHBondContact O-NH1 3.02Å; T832-R834 VanDerWaalsContact C-N 3.25Å; T832-R834 PolarHBondContact O-N 3.06Å; T832-R834 PolarHBondContact OG1-N 3.05Å
835	A	82.9	Confident	82.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	-90.5	147.7	174.6	0	0	0	0	0	111.5	G781 S782 L785 L840	G781-A835 CarbonylContact C-O 3.53Å; G781-A835 WeakPolarHBondContact CA-O 3.15Å; S782-A835 PolarHBondContact N-O 3.46Å; S782-A835 PolarHBondContact O-N 2.8Å; L785-A835 HydrophobicContact CD2-CB 4.07Å; A835-L840 HydrophobicContact CB-CD2 3.57Å; A835-L840 HydrophobicContact CB-CG 3.84Å
836	P	80.4	Confident	82.2	Confident	26 Å²	26	29.3 Å²	29.3	17%	0.169	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-57.6	167.1	167.3	-23.5	34.7	0	0	0	112.8	G838 G839 L843	P836-G838 PolarHBondContact O-N 2.9Å; P836-G839 PolarHBondContact O-N 3.15Å; P836-L843 HydrophobicContact CG-CB 4.35Å; P836-L843 HydrophobicContact CG-CD1 4.22Å
837	V	76.9	Confident	82.5	Confident	16 Å²	16	29.3 Å²	29.3	10%	0.097	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	121.4	171.9	-175.6	0	0	0	0	109.4	V507 N510 L777 L778	V507-V837 HydrophobicContact CG2-CG1 4.49Å; N510-V837 HydrophobicContact CB-CG1 4.02Å; L777-V837 WeakPolarHBondContact O-CG2 3.29Å; L778-V837 HydrophobicContact CD2-CG2 4.14Å
838	G	72.5	Confident	83	Confident	38 Å²	38	27.3 Å²	27.3	39%	0.392	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	9	-171.4	0	0	0	0	0	115.3	P836	P836-G838 PolarHBondContact O-N 2.9Å
839	G	82.8	Confident	83.4	Confident	16 Å²	16	29.5 Å²	29.5	17%	0.165	17%	0.166	C	C	.	.			trans	82	179.6	170.3	0	0	0	0	0	114.2	P836 G841 K842	P836-G839 PolarHBondContact O-N 3.15Å; G839-G841 PolarHBondContact O-N 2.87Å; G839-K842 PolarHBondContact O-N 3.05Å; G839-K842 VanDerWaalsContact O-N 3.09Å
840	L	84.6	Confident	83.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-64.8	-22.9	-173.3	-65.5	176.7	0	0	0	113.5	L785 D786 F787 L790 L826 A835 K842 L843	L785-L840 HydrophobicContact CB-CD1 3.93Å; L785-L840 HydrophobicContact CD2-CD1 4.23Å; L785-L840 HydrophobicContact CD2-CD2 4.26Å; L785-L840 HydrophobicContact CD2-CG 4.3Å; D786-L840 WeakPolarHBondContact O-CB 3.39Å; F787-L840 HydrophobicContact CD1-CD1 4.45Å; F787-L840 HydrophobicContact CD2-CD1 3.98Å; F787-L840 HydrophobicContact CE1-CD1 4.36Å; F787-L840 HydrophobicContact CE2-CD1 3.87Å; F787-L840 HydrophobicContact CG-CD1 4.27Å; F787-L840 HydrophobicContact CZ-CD1 4.07Å; L790-L840 HydrophobicContact CB-CB 3.93Å; L790-L840 HydrophobicContact CD1-CB 4.27Å; L790-L840 WeakPolarHBondContact CD1-O 3.17Å; L790-L840 HydrophobicContact CD2-CD1 4.38Å; L790-L840 HydrophobicContact CG-CB 4.48Å; L826-L840 HydrophobicContact CD1-CD1 4.06Å; L826-L840 HydrophobicContact CD1-CD2 3.87Å; L826-L840 HydrophobicContact CD2-CD1 4.27Å; L826-L840 HydrophobicContact CD2-CD2 3.7Å; L826-L840 HydrophobicContact CG-CD2 4.46Å; A835-L840 HydrophobicContact CB-CD2 3.57Å; A835-L840 HydrophobicContact CB-CG 3.84Å; L840-K842 PolarHBondContact O-N 3Å; L840-L843 HydrophobicContact CD2-CD2 4.41Å; L840-L843 VanDerWaalsContact O-CB 3.22Å; L840-L843 WeakPolarHBondContact O-CB 3.18Å; L840-L843 PolarHBondContact O-N 3.08Å
841	G	80.4	Confident	84.1	Confident	19 Å²	19	32.5 Å²	32.5	20%	0.196	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-59.1	-27	172.8	0	0	0	0	0	113.7	T793 G839 L843	T793-G841 WeakPolarHBondContact CB-O 3.38Å; T793-G841 VanDerWaalsContact CG2-O 3.26Å; T793-G841 WeakPolarHBondContact CG2-O 3.48Å; T793-G841 PolarHBondContact OG1-O 3.37Å; G839-G841 PolarHBondContact O-N 2.87Å; G841-L843 VanDerWaalsContact C-N 3.33Å
842	K	77	Confident	84.9	Confident	139 Å²	139	35.7 Å²	35.7	60%	0.604	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-80.2	-13	174.5	-59.1	-57.5	-175.9	-173.5	0	113.4	G839 L840 K844	G839-K842 PolarHBondContact O-N 3.05Å; G839-K842 VanDerWaalsContact O-N 3.09Å; L840-K842 PolarHBondContact O-N 3Å; K842-K844 PolarHBondContact O-N 2.76Å
843	L	81.8	Confident	85.7	Confident	13 Å²	13	38.2 Å²	38.2	7%	0.068	22%	0.219	C	C	.	.	S	Bend	trans	-77.5	109.2	174.5	-176.1	76.9	0	0	0	109.4	L790 L826 T830 P836 L840 G841 M845 N865	L790-L843 HydrophobicContact CD1-CB 4.15Å; L790-L843 HydrophobicContact CD1-CD2 3.89Å; L790-L843 HydrophobicContact CD1-CG 4.4Å; L826-L843 HydrophobicContact CD2-CD2 4.41Å; T830-L843 HydrophobicContact CG2-CD1 4.03Å; T830-L843 HydrophobicContact CG2-CD2 3.49Å; T830-L843 VanDerWaalsContact CG2-CD2 3.49Å; T830-L843 HydrophobicContact CG2-CG 4.36Å; P836-L843 HydrophobicContact CG-CB 4.35Å; P836-L843 HydrophobicContact CG-CD1 4.22Å; L840-L843 HydrophobicContact CD2-CD2 4.41Å; L840-L843 VanDerWaalsContact O-CB 3.22Å; L840-L843 WeakPolarHBondContact O-CB 3.18Å; L840-L843 PolarHBondContact O-N 3.08Å; G841-L843 VanDerWaalsContact C-N 3.33Å; L843-M845 VanDerWaalsContact C-N 3.28Å; L843-M845 PolarHBondContact O-N 3.42Å; L843-N865 HydrophobicContact CD1-CB 4.36Å
844	K	82.1	Confident	86.2	Confident	136 Å²	136	37.9 Å²	37.9	59%	0.591	22%	0.218	S	C	*	.			trans	-72.9	83.5	169.1	-66.8	-167.6	168.9	-143.4	0	110.3	E795 K842	E795-K844 IonicContact OE1-NZ 3.74Å; K842-K844 PolarHBondContact O-N 2.76Å
845	M	90.6	Very high	86.7	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.			trans	-80.3	140.4	169.8	-173	174.5	66.9	0	0	109.7	L790 T794 E795 W811 F825 T829 L843 I847	L790-M845 HydrophobicContact CD1-CB 4.06Å; L790-M845 HydrophobicContact CD1-CE 4.44Å; L790-M845 HydrophobicContact CD2-CE 4Å; L790-M845 HydrophobicContact CD2-SD 4.33Å; L790-M845 HydrophobicContact CG-CE 4.07Å; T794-M845 WeakPolarHBondContact CA-O 3.29Å; T794-M845 HydrophobicContact CG2-CE 3.97Å; T794-M845 VanDerWaalsContact OG1-CE 3.25Å; T794-M845 WeakPolarHBondContact OG1-CE 3.5Å; E795-M845 PolarHBondContact N-O 2.88Å; W811-M845 HydrophobicContact CH2-CE 3.45Å; W811-M845 VanDerWaalsContact CH2-CE 3.45Å; W811-M845 HydrophobicContact CZ2-CE 3.75Å; F825-M845 HydrophobicContact CE1-SD 3.95Å; F825-M845 HydrophobicContact CZ-CE 4.41Å; F825-M845 HydrophobicContact CZ-SD 3.78Å; T829-M845 HydrophobicContact CG2-CG 4.08Å; T829-M845 HydrophobicContact CG2-SD 3.86Å; L843-M845 VanDerWaalsContact C-N 3.28Å; L843-M845 PolarHBondContact O-N 3.42Å; M845-I847 HydrophobicContact CE-CD1 4.11Å; M845-I847 HydrophobicContact CE-CG1 4.3Å
846	I	93.1	Very high	86.9	Confident	46 Å²	46	48.6 Å²	48.6	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	126.2	177.2	-58.4	173.2	0	0	0	108.7	E795 D797 N865 V866 L867	E795-I846 HydrophobicContact CB-CG1 4.32Å; E795-I846 CarbonylContact O-C 3.19Å; E795-I846 WeakPolarHBondContact O-CA 3.49Å; D797-I846 HydrophobicContact CB-CG2 4.25Å; I846-N865 PolarHBondContact N-O 3.42Å; I846-N865 VanDerWaalsContact N-O 3.12Å; I846-V866 HydrophobicContact CB-CG2 4.16Å; I846-V866 HydrophobicContact CD1-CG2 4.31Å; I846-V866 CarbonylContact O-C 3.58Å; I846-V866 WeakPolarHBondContact O-CA 3.39Å; I846-L867 PolarHBondContact O-N 3.43Å
847	I	95.9	Very high	87.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.2	172.5	-56.6	179.4	0	0	0	109.1	T794 E795 Y796 D797 Y800 I807 F810 W811 M845 L867 L869	T794-I847 HydrophobicContact CG2-CD1 3.95Å; T794-I847 HydrophobicContact CG2-CG1 3.85Å; E795-I847 PolarHBondContact O-N 3.25Å; Y796-I847 WeakPolarHBondContact CA-O 3.04Å; Y796-I847 HydrophobicContact CD1-CB 4.06Å; Y796-I847 HydrophobicContact CE1-CB 4.29Å; Y796-I847 HydrophobicContact CE1-CD1 4.16Å; D797-I847 PolarHBondContact N-O 3.23Å; Y800-I847 HydrophobicContact CD2-CG2 4.21Å; Y800-I847 HydrophobicContact CE2-CG2 4.46Å; I807-I847 HydrophobicContact CD1-CB 4.42Å; I807-I847 HydrophobicContact CD1-CG2 3.8Å; F810-I847 HydrophobicContact CD1-CD1 3.79Å; F810-I847 HydrophobicContact CE1-CD1 3.44Å; F810-I847 VanDerWaalsContact CE1-CD1 3.44Å; F810-I847 HydrophobicContact CZ-CD1 3.93Å; W811-I847 HydrophobicContact CZ2-CD1 4.21Å; M845-I847 HydrophobicContact CE-CD1 4.11Å; M845-I847 HydrophobicContact CE-CG1 4.3Å; I847-L867 HydrophobicContact CG1-CB 4.38Å; I847-L867 HydrophobicContact CG1-CD2 4.35Å; I847-L869 HydrophobicContact CG2-CB 4Å; I847-L869 HydrophobicContact CG2-CD2 3.95Å
848	A	95.1	Very high	88.1	Confident	10 Å²	10	49.9 Å²	49.9	8%	0.083	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.4	-176.5	0	0	0	0	0	112	D797 N850 V866 L867 L868 L869	D797-A848 HydrophobicContact CB-CB 4.14Å; D797-A848 WeakPolarHBondContact O-CA 3.43Å; A848-N850 PolarHBondContact O-N 3.34Å; A848-V866 HydrophobicContact CB-CG1 4.08Å; A848-L867 PolarHBondContact N-O 3.08Å; A848-L868 HydrophobicContact CB-CD2 4.11Å; A848-L869 PolarHBondContact O-N 3.5Å
849	K	94.4	Very high	89	Confident	70 Å²	70	51.2 Å²	51.2	30%	0.304	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	114.3	-178.9	-177.2	169.7	-177.8	164.1	0	113.1	D797 G798 Y800 G851 E871	D797-K849 PolarHBondContact O-N 3.09Å; D797-K849 VanDerWaalsContact O-N 3.14Å; G798-K849 WeakPolarHBondContact O-CB 3.18Å; G798-K849 WeakPolarHBondContact O-CD 3.23Å; Y800-K849 HydrophobicContact CD1-CB 4.27Å; Y800-K849 HydrophobicContact CD1-CD 4.23Å; Y800-K849 HydrophobicContact CD2-CB 3.89Å; Y800-K849 HydrophobicContact CE1-CB 3.99Å; Y800-K849 HydrophobicContact CE1-CD 3.74Å; Y800-K849 HydrophobicContact CE1-CG 3.86Å; Y800-K849 HydrophobicContact CE2-CB 3.61Å; Y800-K849 HydrophobicContact CE2-CG 4.12Å; Y800-K849 HydrophobicContact CG-CB 4.21Å; K849-G851 PolarHBondContact O-N 2.84Å; K849-E871 WeakPolarHBondContact CE-OE2 3.24Å; K849-E871 IonicContact NZ-OE1 3.48Å; K849-E871 PolarHBondContact NZ-OE1 3.06Å; K849-E871 IonicContact NZ-OE2 3.47Å; K849-E871 PolarHBondContact NZ-OE2 2.93Å
850	N	92.7	Very high	89.2	Confident	40 Å²	40	51.9 Å²	51.9	21%	0.214	27%	0.274	C	S	.	.			trans	-97.4	59.1	176.4	-168	-5.6	0	0	0	112.4	A848 R856 L868 L869 P870	A848-N850 PolarHBondContact O-N 3.34Å; N850-R856 PolarHBondContact O-NH2 3.1Å; N850-R856 PolarHBondContact OD1-NH2 3.02Å; N850-L868 HydrophobicContact CB-CB 3.96Å; N850-L869 PolarHBondContact N-O 3.42Å; N850-P870 HydrophobicContact CB-CG 4.33Å
851	G	90.3	Very high	89.2	Confident	28 Å²	28	56.9 Å²	56.9	29%	0.289	30%	0.297	S	S	.	.	S	Bend	trans	77.2	-169.9	179.7	0	0	0	0	0	115	K849 E871	K849-G851 PolarHBondContact O-N 2.84Å; G851-E871 PolarHBondContact O-N 3.43Å
852	P	91.9	Very high	89.1	Confident	88 Å²	88	57.8 Å²	57.8	57%	0.571	30%	0.299	S	S	*	.	S	Bend	trans	-76.8	-174.6	-179.2	34.6	-37.3	0	0	0	112.3	T854	P852-T854 PolarHBondContact O-N 2.91Å
853	D	92.8	Very high	88.8	Confident	63 Å²	63	52.6 Å²	52.6	34%	0.337	28%	0.28	S	S	.	.	S	Bend	trans	-52.7	125.7	172.3	-173.1	31	0	0	0	111.2	E871 Y872 S873 K877	D853-E871 VanDerWaalsContact CA-O 3.22Å; D853-E871 WeakPolarHBondContact CA-O 3.41Å; D853-E871 WeakPolarHBondContact CB-O 3.34Å; D853-E871 PolarHBondContact N-O 3.42Å; D853-E871 VanDerWaalsContact N-O 3.12Å; D853-Y872 WeakPolarHBondContact OD1-CA 3.29Å; D853-S873 PolarHBondContact OD1-N 3.04Å; D853-S873 WeakPolarHBondContact OD2-CB 3.32Å; D853-S873 PolarHBondContact OD2-OG 3.31Å; D853-K877 VanDerWaalsContact CG-NZ 3.27Å; D853-K877 WeakPolarHBondContact OD1-CE 3.35Å; D853-K877 IonicContact OD1-NZ 2.61Å; D853-K877 PolarHBondContact OD1-NZ 3.17Å; D853-K877 IonicContact OD2-NZ 2.98Å; D853-K877 PolarHBondContact OD2-NZ 3.45Å; D853-K877 VanDerWaalsContact OD2-NZ 3.12Å
854	T	91.9	Very high	88.5	Confident	36 Å²	36	57.2 Å²	57.2	22%	0.221	30%	0.3	C	S	.	.			trans	-144	170.7	176.8	57	0	0	0	0	109.8	P852 R856 Y872 K877	P852-T854 PolarHBondContact O-N 2.91Å; T854-R856 VanDerWaalsContact C-N 3.32Å; T854-R856 PolarHBondContact OG1-NE 3.08Å; T854-Y872 WeakPolarHBondContact O-CE1 3.42Å; T854-K877 VanDerWaalsContact O-CE 3.28Å; T854-K877 WeakPolarHBondContact O-CE 3.42Å; T854-K877 PolarHBondContact O-NZ 3.11Å; T854-K877 VanDerWaalsContact O-NZ 3.09Å
855	D	90.1	Very high	88.7	Confident	108 Å²	108	52 Å²	52	58%	0.578	28%	0.278	S	S	*	.	S	Bend	trans	-92.4	6.4	171.8	-70.8	-50.9	0	0	0	113.6	K877 R881	D855-K877 WeakPolarHBondContact OD1-CE 3.45Å; D855-K877 IonicContact OD1-NZ 2.75Å; D855-K877 PolarHBondContact OD1-NZ 2.89Å; D855-R881 VanDerWaalsContact O-CZ 3.29Å; D855-R881 PolarHBondContact O-NH1 2.86Å; D855-R881 IonicContact OD1-CZ 3.08Å; D855-R881 IonicContact OD1-NH2 2.84Å; D855-R881 PolarHBondContact OD1-NH2 2.71Å
856	R	88.5	Confident	88.7	Confident	128 Å²	128	53 Å²	53	48%	0.483	28%	0.284	S	S	.	.	S	Bend	trans	-65.4	146.2	170.8	-57.5	-175	-62.3	163.8	8.6	109.5	N850 T854 Y872	N850-R856 PolarHBondContact O-NH2 3.1Å; N850-R856 PolarHBondContact OD1-NH2 3.02Å; T854-R856 VanDerWaalsContact C-N 3.32Å; T854-R856 PolarHBondContact OG1-NE 3.08Å; R856-Y872 PolarHBondContact O-OH 3.14Å
857	L	90.7	Very high	88.7	Confident	67 Å²	67	50.8 Å²	50.8	35%	0.351	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-69	154.7	166.4	-62.3	178.7	0	0	0	109.4	R881 K884 A885	L857-R881 HydrophobicContact CD2-CB 4.34Å; L857-R881 WeakPolarHBondContact CD2-O 3.39Å; L857-K884 HydrophobicContact CD2-CB 3.77Å; L857-A885 HydrophobicContact CB-CB 4.3Å
858	P	91.9	Very high	88.6	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.019	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-61.4	154.1	163.6	30.3	-34.9	0	0	0	109.3	F828 L867 L868 L869 Y872 L882 A885	F828-P858 WeakPolarHBondContact CZ-O 3.23Å; P858-L867 HydrophobicContact CB-CD1 4.44Å; P858-L868 WeakPolarHBondContact CA-O 3.42Å; P858-L869 HydrophobicContact CB-CD1 4.2Å; P858-Y872 VanDerWaalsContact CD-OH 3.26Å; P858-Y872 WeakPolarHBondContact CD-OH 3.44Å; P858-L882 HydrophobicContact CG-CD1 4.13Å; P858-A885 HydrophobicContact CG-CB 3.65Å
859	T	89.8	Confident	88.6	Confident	66 Å²	66	52 Å²	52	41%	0.405	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	169.9	176.6	53.3	0	0	0	0	109.4	L868	T859-L868 PolarHBondContact N-O 3.4Å; T859-L868 WeakPolarHBondContact O-CA 3.3Å; T859-L868 WeakPolarHBondContact O-CB 3.07Å; T859-L868 PolarHBondContact O-N 3.38Å; T859-L868 WeakPolarHBondContact OG1-CB 3.44Å; T859-L868 WeakPolarHBondContact OG1-CD1 3.26Å
860	S	88.5	Confident	88.6	Confident	30 Å²	30	48.7 Å²	48.7	21%	0.21	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157	-179	54.9	0	0	0	0	112	F828 V866	F828-S860 VanDerWaalsContact O-CB 3.23Å; F828-S860 WeakPolarHBondContact O-CB 3.43Å; F828-S860 PolarHBondContact O-OG 2.68Å; S860-V866 CarbonylContact C-O 3.56Å; S860-V866 VanDerWaalsContact CA-O 3.24Å; S860-V866 WeakPolarHBondContact CA-O 3.49Å
861	H	82.9	Confident	88.7	Confident	104 Å²	104	50.4 Å²	50.4	48%	0.481	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	90.1	162.6	-63.3	-54.6	0	0	0	107.7	C863 F864 N865 V866 L868	H861-C863 PolarHBondContact O-N 3.07Å; H861-F864 CarbonylContact O-C 3.56Å; H861-F864 PolarHBondContact O-N 2.94Å; H861-N865 PolarHBondContact O-N 3.46Å; H861-V866 HydrophobicContact CB-CB 4.29Å; H861-V866 PolarHBondContact N-O 3.41Å; H861-V866 PolarHBondContact O-N 2.94Å; H861-L868 WeakPolarHBondContact NE2-CD1 3.36Å
862	T	79.3	Confident	88.9	Confident	39 Å²	39	49.1 Å²	49.1	24%	0.239	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55.7	-34.2	-176.8	49.4	0	0	0	0	112.9	K592 F828 T829 F864 N865	K592-T862 PolarHBondContact NZ-O 3.48Å; F828-T862 WeakPolarHBondContact O-CG2 3.26Å; T829-T862 WeakPolarHBondContact O-CA 3.35Å; T862-F864 PolarHBondContact O-N 2.8Å; T862-N865 PolarHBondContact O-N 2.95Å; T862-N865 PolarHBondContact O-OD1 3.48Å
863	C	70.6	Confident	88.9	Confident	30 Å²	30	47.6 Å²	47.6	20%	0.203	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-57.4	-32.3	176.6	-50	0	0	0	0	113.3	H861	H861-C863 PolarHBondContact O-N 3.07Å
864	F	75.1	Confident	88.8	Confident	109 Å²	109	48 Å²	48	48%	0.478	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-116.1	5.9	-177.2	-61.1	-77.4	0	0	0	113.5	H861 T862 V866	H861-F864 CarbonylContact O-C 3.56Å; H861-F864 PolarHBondContact O-N 2.94Å; T862-F864 PolarHBondContact O-N 2.8Å; F864-V866 HydrophobicContact CB-CG2 3.74Å; F864-V866 PolarHBondContact O-N 3.22Å
865	N	86.8	Confident	88.9	Confident	27 Å²	27	49.6 Å²	49.6	14%	0.144	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	34	-173.7	-40.5	-56.1	0	0	0	113.7	K592 T829 L843 I846 H861 T862	K592-N865 PolarHBondContact NZ-OD1 3.02Å; T829-N865 WeakPolarHBondContact O-CA 3.21Å; L843-N865 HydrophobicContact CD1-CB 4.36Å; I846-N865 PolarHBondContact N-O 3.42Å; I846-N865 VanDerWaalsContact N-O 3.12Å; H861-N865 PolarHBondContact O-N 3.46Å; T862-N865 PolarHBondContact O-N 2.95Å; T862-N865 PolarHBondContact O-OD1 3.48Å
866	V	89.8	Confident	89	Confident	21 Å²	21	50.4 Å²	50.4	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.5	-178.5	-178.5	0	0	0	0	110.1	I846 A848 S860 H861 F864 L868	I846-V866 HydrophobicContact CB-CG2 4.16Å; I846-V866 HydrophobicContact CD1-CG2 4.31Å; I846-V866 CarbonylContact O-C 3.58Å; I846-V866 WeakPolarHBondContact O-CA 3.39Å; A848-V866 HydrophobicContact CB-CG1 4.08Å; S860-V866 CarbonylContact C-O 3.56Å; S860-V866 VanDerWaalsContact CA-O 3.24Å; S860-V866 WeakPolarHBondContact CA-O 3.49Å; H861-V866 HydrophobicContact CB-CB 4.29Å; H861-V866 PolarHBondContact N-O 3.41Å; H861-V866 PolarHBondContact O-N 2.94Å; F864-V866 HydrophobicContact CB-CG2 3.74Å; F864-V866 PolarHBondContact O-N 3.22Å; V866-L868 HydrophobicContact CG1-CD2 4.08Å; V866-L868 HydrophobicContact CG1-CG 4.49Å
867	L	94.1	Very high	89.3	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.1	168.3	-177.4	68.2	0	0	0	110	F810 F825 F828 T829 I846 I847 A848 P858 L869	F810-L867 HydrophobicContact CD2-CD2 4.49Å; F810-L867 HydrophobicContact CE2-CD2 3.56Å; F810-L867 HydrophobicContact CZ-CD2 3.74Å; F825-L867 HydrophobicContact CE2-CD2 4.02Å; F825-L867 HydrophobicContact CZ-CD2 4.33Å; F828-L867 HydrophobicContact CD1-CD1 4.24Å; F828-L867 HydrophobicContact CE1-CD1 3.72Å; T829-L867 HydrophobicContact CG2-CB 4.07Å; I846-L867 PolarHBondContact O-N 3.43Å; I847-L867 HydrophobicContact CG1-CB 4.38Å; I847-L867 HydrophobicContact CG1-CD2 4.35Å; A848-L867 PolarHBondContact N-O 3.08Å; P858-L867 HydrophobicContact CB-CD1 4.44Å; L867-L869 PolarHBondContact O-N 2.9Å
868	L	93.5	Very high	89.5	Confident	35 Å²	35	42.5 Å²	42.5	18%	0.183	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	94.3	175.8	-66.5	-178.9	0	0	0	109.9	A848 N850 P858 T859 H861 V866 P870	A848-L868 HydrophobicContact CB-CD2 4.11Å; N850-L868 HydrophobicContact CB-CB 3.96Å; P858-L868 WeakPolarHBondContact CA-O 3.42Å; T859-L868 PolarHBondContact N-O 3.4Å; T859-L868 WeakPolarHBondContact O-CA 3.3Å; T859-L868 WeakPolarHBondContact O-CB 3.07Å; T859-L868 PolarHBondContact O-N 3.38Å; T859-L868 WeakPolarHBondContact OG1-CB 3.44Å; T859-L868 WeakPolarHBondContact OG1-CD1 3.26Å; H861-L868 WeakPolarHBondContact NE2-CD1 3.36Å; V866-L868 HydrophobicContact CG1-CD2 4.08Å; V866-L868 HydrophobicContact CG1-CG 4.49Å; L868-P870 WeakPolarHBondContact O-CD 3.49Å
869	L	95	Very high	89.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.2	-171.6	-173.7	67.2	0	0	0	111.8	Y800 I806 F810 I847 A848 N850 P858 L867 Y872 L878	Y800-L869 HydrophobicContact CE2-CB 4.24Å; Y800-L869 WeakPolarHBondContact CE2-O 3.29Å; Y800-L869 PolarHBondContact OH-O 3.38Å; I806-L869 HydrophobicContact CG1-CD2 4.43Å; F810-L869 HydrophobicContact CD2-CD2 4.12Å; F810-L869 HydrophobicContact CG-CD2 4.46Å; I847-L869 HydrophobicContact CG2-CB 4Å; I847-L869 HydrophobicContact CG2-CD2 3.95Å; A848-L869 PolarHBondContact O-N 3.5Å; N850-L869 PolarHBondContact N-O 3.42Å; P858-L869 HydrophobicContact CB-CD1 4.2Å; L867-L869 PolarHBondContact O-N 2.9Å; L869-Y872 HydrophobicContact CD1-CD2 4.38Å; L869-Y872 HydrophobicContact CD1-CE2 3.95Å; L869-L878 HydrophobicContact CD1-CD1 4.49Å; L869-L878 HydrophobicContact CD2-CD1 4.37Å
870	P	94.8	Very high	89.8	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.24	C	C	.	.			trans	-62.4	149.5	169.7	-22	34.2	0	0	0	112.2	N850 L868 Y872	N850-P870 HydrophobicContact CB-CG 4.33Å; L868-P870 WeakPolarHBondContact O-CD 3.49Å; P870-Y872 VanDerWaalsContact C-N 3.29Å; P870-Y872 HydrophobicContact CB-CD1 4.47Å; P870-Y872 HydrophobicContact CB-CE1 3.99Å; P870-Y872 HydrophobicContact CB-CE2 4.3Å; P870-Y872 HydrophobicContact CG-CE1 4.31Å; P870-Y872 HydrophobicContact CG-CE2 4.41Å; P870-Y872 WeakPolarHBondContact O-CD2 3.43Å; P870-Y872 PolarHBondContact O-N 3.02Å
871	E	93.8	Very high	90	Very high	76 Å²	76	48.3 Å²	48.3	36%	0.355	24%	0.238	S	C	.	.			trans	-79.5	73.9	-178	-171.8	170.9	-112.1	0	0	111.5	Y800 K849 G851 D853	Y800-E871 HydrophobicContact CE1-CB 4.41Å; Y800-E871 HydrophobicContact CE1-CG 4.38Å; Y800-E871 VanDerWaalsContact OH-CA 3.27Å; Y800-E871 WeakPolarHBondContact OH-CA 3.23Å; Y800-E871 WeakPolarHBondContact OH-CB 3.46Å; Y800-E871 PolarHBondContact OH-N 3.44Å; K849-E871 WeakPolarHBondContact CE-OE2 3.24Å; K849-E871 IonicContact NZ-OE1 3.48Å; K849-E871 PolarHBondContact NZ-OE1 3.06Å; K849-E871 IonicContact NZ-OE2 3.47Å; K849-E871 PolarHBondContact NZ-OE2 2.93Å; G851-E871 PolarHBondContact O-N 3.43Å; D853-E871 VanDerWaalsContact CA-O 3.22Å; D853-E871 WeakPolarHBondContact CA-O 3.41Å; D853-E871 WeakPolarHBondContact CB-O 3.34Å; D853-E871 PolarHBondContact N-O 3.42Å; D853-E871 VanDerWaalsContact N-O 3.12Å
872	Y	95.1	Very high	90.5	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.215	C	C	.	.			trans	-60.1	145.1	-174.3	-61.4	-66.4	0	0	0	113.5	R805 D853 T854 R856 P858 L869 P870 N874 K877 L878 R881	R805-Y872 PolarHBondContact NH2-O 2.84Å; D853-Y872 WeakPolarHBondContact OD1-CA 3.29Å; T854-Y872 WeakPolarHBondContact O-CE1 3.42Å; R856-Y872 PolarHBondContact O-OH 3.14Å; P858-Y872 VanDerWaalsContact CD-OH 3.26Å; P858-Y872 WeakPolarHBondContact CD-OH 3.44Å; L869-Y872 HydrophobicContact CD1-CD2 4.38Å; L869-Y872 HydrophobicContact CD1-CE2 3.95Å; P870-Y872 VanDerWaalsContact C-N 3.29Å; P870-Y872 HydrophobicContact CB-CD1 4.47Å; P870-Y872 HydrophobicContact CB-CE1 3.99Å; P870-Y872 HydrophobicContact CB-CE2 4.3Å; P870-Y872 HydrophobicContact CG-CE1 4.31Å; P870-Y872 HydrophobicContact CG-CE2 4.41Å; P870-Y872 WeakPolarHBondContact O-CD2 3.43Å; P870-Y872 PolarHBondContact O-N 3.02Å; Y872-N874 VanDerWaalsContact C-N 3.29Å; Y872-N874 PolarHBondContact O-N 2.66Å; Y872-K877 HydrophobicContact CD1-CD 4.05Å; Y872-K877 HydrophobicContact CD1-CG 4.1Å; Y872-L878 HydrophobicContact CD2-CB 4Å; Y872-L878 HydrophobicContact CD2-CD1 4.41Å; Y872-L878 HydrophobicContact CD2-CG 4.28Å; Y872-R881 HydrophobicContact CE1-CB 4.2Å; Y872-R881 HydrophobicContact CE1-CG 3.93Å; Y872-R881 HydrophobicContact CE2-CB 4.23Å
873	S	91.6	Very high	91.1	Very high	57 Å²	57	44 Å²	44	40%	0.399	22%	0.217	S	C	.	.	S	Bend	trans	-65.8	-26.5	-175.6	40.7	0	0	0	0	114.6	R805 D853	R805-S873 PolarHBondContact NH2-O 2.93Å; D853-S873 PolarHBondContact OD1-N 3.04Å; D853-S873 WeakPolarHBondContact OD2-CB 3.32Å; D853-S873 PolarHBondContact OD2-OG 3.31Å
874	N	92	Very high	92.1	Very high	71 Å²	71	46.5 Å²	46.5	38%	0.38	22%	0.224	S	C	.	.	S	Bend	trans	-155	163.2	179	62	62.1	0	0	0	112.9	Y872 D876 K877 L878	Y872-N874 VanDerWaalsContact C-N 3.29Å; Y872-N874 PolarHBondContact O-N 2.66Å; N874-D876 PolarHBondContact O-N 3.29Å; N874-D876 PolarHBondContact OD1-N 3.48Å; N874-K877 PolarHBondContact O-N 3.07Å; N874-K877 VanDerWaalsContact OD1-CB 3.32Å; N874-K877 WeakPolarHBondContact OD1-CB 3.44Å; N874-K877 PolarHBondContact OD1-N 3.37Å; N874-L878 PolarHBondContact O-N 3.38Å; N874-L878 VanDerWaalsContact O-N 3.09Å
875	K	93.1	Very high	92.8	Very high	69 Å²	69	41.5 Å²	41.5	30%	0.3	20%	0.203	S	C	.	.	H	α-helix	trans	-59.1	-38.4	-179.8	-172.4	175.6	-179.2	180	0	114.2	E809 E812 T813 L878 R879	E809-K875 HydrophobicContact CB-CB 4.19Å; E809-K875 HydrophobicContact CB-CD 4.42Å; E809-K875 HydrophobicContact CB-CG 4.1Å; E809-K875 HydrophobicContact CG-CB 4Å; E809-K875 HydrophobicContact CG-CD 4.33Å; E809-K875 HydrophobicContact CG-CG 4.28Å; E809-K875 PolarHBondContact OE2-N 3.25Å; E812-K875 IonicContact OE2-NZ 3.08Å; E812-K875 PolarHBondContact OE2-NZ 2.85Å; T813-K875 WeakPolarHBondContact OG1-CE 3.38Å; K875-L878 PolarHBondContact O-N 2.67Å; K875-R879 WeakPolarHBondContact O-CB 3.4Å; K875-R879 PolarHBondContact O-N 3.11Å
876	D	93.3	Very high	93.1	Very high	125 Å²	125	40.4 Å²	40.4	67%	0.668	20%	0.198	S	C	*	.	H	α-helix	trans	-66.6	-42.3	-178.5	-62.4	-42.9	0	0	0	111.3	N874 R879 E880	N874-D876 PolarHBondContact O-N 3.29Å; N874-D876 PolarHBondContact OD1-N 3.48Å; D876-R879 PolarHBondContact O-N 3.21Å; D876-E880 WeakPolarHBondContact O-CB 3.4Å; D876-E880 PolarHBondContact O-N 2.91Å
877	K	93.3	Very high	93	Very high	30 Å²	30	43.1 Å²	43.1	13%	0.13	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-42.9	172.8	-169.8	179.5	-173.5	-175	0	111.1	D853 T854 D855 Y872 N874 E880 R881	D853-K877 VanDerWaalsContact CG-NZ 3.27Å; D853-K877 WeakPolarHBondContact OD1-CE 3.35Å; D853-K877 IonicContact OD1-NZ 2.61Å; D853-K877 PolarHBondContact OD1-NZ 3.17Å; D853-K877 IonicContact OD2-NZ 2.98Å; D853-K877 PolarHBondContact OD2-NZ 3.45Å; D853-K877 VanDerWaalsContact OD2-NZ 3.12Å; T854-K877 VanDerWaalsContact O-CE 3.28Å; T854-K877 WeakPolarHBondContact O-CE 3.42Å; T854-K877 PolarHBondContact O-NZ 3.11Å; T854-K877 VanDerWaalsContact O-NZ 3.09Å; D855-K877 WeakPolarHBondContact OD1-CE 3.45Å; D855-K877 IonicContact OD1-NZ 2.75Å; D855-K877 PolarHBondContact OD1-NZ 2.89Å; Y872-K877 HydrophobicContact CD1-CD 4.05Å; Y872-K877 HydrophobicContact CD1-CG 4.1Å; N874-K877 PolarHBondContact O-N 3.07Å; N874-K877 VanDerWaalsContact OD1-CB 3.32Å; N874-K877 WeakPolarHBondContact OD1-CB 3.44Å; N874-K877 PolarHBondContact OD1-N 3.37Å; K877-E880 PolarHBondContact O-N 2.79Å; K877-R881 HydrophobicContact CG-CG 4.18Å; K877-R881 WeakPolarHBondContact O-CB 3.48Å; K877-R881 WeakPolarHBondContact O-CG 3.42Å; K877-R881 PolarHBondContact O-N 3.29Å
878	L	94.5	Very high	92.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.9	-48.9	173.2	177.7	146	0	0	0	111	I806 F810 T813 L869 Y872 N874 K875 R881 L882	I806-L878 HydrophobicContact CD1-CD1 3.51Å; I806-L878 HydrophobicContact CG1-CD1 3.9Å; F810-L878 HydrophobicContact CB-CD1 4.04Å; F810-L878 HydrophobicContact CB-CD2 4.5Å; T813-L878 HydrophobicContact CG2-CD2 4.01Å; L869-L878 HydrophobicContact CD1-CD1 4.49Å; L869-L878 HydrophobicContact CD2-CD1 4.37Å; Y872-L878 HydrophobicContact CD2-CB 4Å; Y872-L878 HydrophobicContact CD2-CD1 4.41Å; Y872-L878 HydrophobicContact CD2-CG 4.28Å; N874-L878 PolarHBondContact O-N 3.38Å; N874-L878 VanDerWaalsContact O-N 3.09Å; K875-L878 PolarHBondContact O-N 2.67Å; L878-R881 PolarHBondContact O-N 2.92Å; L878-L882 WeakPolarHBondContact O-CB 3.42Å; L878-L882 PolarHBondContact O-N 2.8Å
879	R	94.2	Very high	90.9	Very high	88 Å²	88	51.9 Å²	51.9	33%	0.332	26%	0.257	S	S	.	.	H	α-helix	trans	-60.6	-47.7	179.8	-176.5	-179.2	-171.1	93.1	1.7	111.8	T813 S816 F817 K875 D876 L883	T813-R879 HydrophobicContact CG2-CB 3.8Å; T813-R879 HydrophobicContact CG2-CG 3.79Å; S816-R879 PolarHBondContact OG-NH1 3.46Å; F817-R879 HydrophobicContact CE1-CG 4.3Å; K875-R879 WeakPolarHBondContact O-CB 3.4Å; K875-R879 PolarHBondContact O-N 3.11Å; D876-R879 PolarHBondContact O-N 3.21Å; R879-L883 WeakPolarHBondContact O-CB 3.22Å; R879-L883 PolarHBondContact O-N 2.88Å
880	E	94.1	Very high	88.7	Confident	86 Å²	86	59.7 Å²	59.7	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-62.6	-46.7	-180	-167.4	-152.7	145.8	0	0	111.7	D876 K877 K884	D876-E880 WeakPolarHBondContact O-CB 3.4Å; D876-E880 PolarHBondContact O-N 2.91Å; K877-E880 PolarHBondContact O-N 2.79Å; E880-K884 HydrophobicContact CG-CD 4.39Å; E880-K884 WeakPolarHBondContact O-CB 3.42Å; E880-K884 VanDerWaalsContact O-CG 3.32Å; E880-K884 WeakPolarHBondContact O-CG 3.34Å; E880-K884 PolarHBondContact O-N 2.97Å; E880-K884 WeakPolarHBondContact OE1-CE 3.5Å; E880-K884 IonicContact OE1-NZ 3.17Å; E880-K884 PolarHBondContact OE1-NZ 2.88Å
881	R	93.6	Very high	85.9	Confident	47 Å²	47	61.9 Å²	61.9	18%	0.177	31%	0.313	C	S	.	.	H	α-helix	trans	-71.4	-40.1	-177.8	-62.8	-68.2	177.8	-179.3	3.2	111.9	D855 L857 Y872 K877 L878 A885	D855-R881 VanDerWaalsContact O-CZ 3.29Å; D855-R881 PolarHBondContact O-NH1 2.86Å; D855-R881 IonicContact OD1-CZ 3.08Å; D855-R881 IonicContact OD1-NH2 2.84Å; D855-R881 PolarHBondContact OD1-NH2 2.71Å; L857-R881 HydrophobicContact CD2-CB 4.34Å; L857-R881 WeakPolarHBondContact CD2-O 3.39Å; Y872-R881 HydrophobicContact CE1-CB 4.2Å; Y872-R881 HydrophobicContact CE1-CG 3.93Å; Y872-R881 HydrophobicContact CE2-CB 4.23Å; K877-R881 HydrophobicContact CG-CG 4.18Å; K877-R881 WeakPolarHBondContact O-CB 3.48Å; K877-R881 WeakPolarHBondContact O-CG 3.42Å; K877-R881 PolarHBondContact O-N 3.29Å; L878-R881 PolarHBondContact O-N 2.92Å; R881-A885 WeakPolarHBondContact O-CB 3.33Å; R881-A885 PolarHBondContact O-N 2.86Å
882	L	93	Very high	83.3	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-47.7	175.2	-175.4	63.9	0	0	0	111.2	F810 F817 F825 P858 L878 K884 A885 I886	F810-L882 HydrophobicContact CD2-CD2 4.06Å; F810-L882 HydrophobicContact CE2-CD1 4.37Å; F810-L882 HydrophobicContact CE2-CD2 3.77Å; F817-L882 HydrophobicContact CE2-CD2 3.95Å; F817-L882 HydrophobicContact CE2-CG 4.27Å; F817-L882 HydrophobicContact CZ-CD2 4.01Å; F817-L882 HydrophobicContact CZ-CG 4.33Å; F825-L882 HydrophobicContact CD2-CD1 4.15Å; F825-L882 HydrophobicContact CE2-CD1 4.26Å; P858-L882 HydrophobicContact CG-CD1 4.13Å; L878-L882 WeakPolarHBondContact O-CB 3.42Å; L878-L882 PolarHBondContact O-N 2.8Å; L882-K884 VanDerWaalsContact C-N 3.33Å; L882-K884 PolarHBondContact O-N 2.9Å; L882-A885 PolarHBondContact O-N 2.85Å; L882-I886 HydrophobicContact CD1-CG2 4.35Å; L882-I886 WeakPolarHBondContact O-CG2 3.29Å; L882-I886 PolarHBondContact O-N 3.43Å
883	L	92.8	Very high	80.2	Confident	53 Å²	53	71.5 Å²	71.5	28%	0.277	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-41.3	178.4	-174.8	62.8	0	0	0	111.5	Q821 R879 I886 T887	Q821-L883 HydrophobicContact CG-CD1 4Å; R879-L883 WeakPolarHBondContact O-CB 3.22Å; R879-L883 PolarHBondContact O-N 2.88Å; L883-I886 HydrophobicContact CD1-CD1 4.17Å; L883-I886 HydrophobicContact CD1-CG1 4.41Å; L883-I886 WeakPolarHBondContact O-CG1 3.5Å; L883-T887 WeakPolarHBondContact O-CB 3.33Å; L883-T887 PolarHBondContact O-N 3.39Å; L883-T887 VanDerWaalsContact O-N 3.14Å; L883-T887 PolarHBondContact O-OG1 3.11Å; L883-T887 VanDerWaalsContact O-OG1 3.07Å
884	K	91.4	Very high	77.2	Confident	81 Å²	81	77.1 Å²	77.1	35%	0.352	40%	0.398	S	S	.	.	H	α-helix	trans	-60.5	-48.1	172.5	-78.4	175.8	174.2	176.4	0	111.8	L857 E880 L882 I886 T887 Y888	L857-K884 HydrophobicContact CD2-CB 3.77Å; E880-K884 HydrophobicContact CG-CD 4.39Å; E880-K884 WeakPolarHBondContact O-CB 3.42Å; E880-K884 VanDerWaalsContact O-CG 3.32Å; E880-K884 WeakPolarHBondContact O-CG 3.34Å; E880-K884 PolarHBondContact O-N 2.97Å; E880-K884 WeakPolarHBondContact OE1-CE 3.5Å; E880-K884 IonicContact OE1-NZ 3.17Å; E880-K884 PolarHBondContact OE1-NZ 2.88Å; L882-K884 VanDerWaalsContact C-N 3.33Å; L882-K884 PolarHBondContact O-N 2.9Å; K884-I886 PolarHBondContact O-N 3.16Å; K884-T887 PolarHBondContact O-N 3.07Å; K884-Y888 HydrophobicContact CB-CD2 4.19Å; K884-Y888 HydrophobicContact CG-CD2 4.44Å; K884-Y888 HydrophobicContact CG-CE2 4.28Å; K884-Y888 WeakPolarHBondContact O-CB 3.36Å; K884-Y888 VanDerWaalsContact O-CD2 3.23Å; K884-Y888 WeakPolarHBondContact O-CD2 3.44Å; K884-Y888 PolarHBondContact O-N 3.25Å
885	A	90.1	Very high	74.1	Confident	5 Å²	5	85.2 Å²	85.2	4%	0.041	44%	0.44	C	S	.	.	H	α-helix	trans	-57.2	-50.7	-179.7	0	0	0	0	0	112.4	F828 L857 P858 R881 L882 T887 Y888 A889	F828-A885 HydrophobicContact CE1-CB 4.27Å; F828-A885 HydrophobicContact CE2-CB 4.18Å; F828-A885 HydrophobicContact CZ-CB 3.87Å; L857-A885 HydrophobicContact CB-CB 4.3Å; P858-A885 HydrophobicContact CG-CB 3.65Å; R881-A885 WeakPolarHBondContact O-CB 3.33Å; R881-A885 PolarHBondContact O-N 2.86Å; L882-A885 PolarHBondContact O-N 2.85Å; A885-T887 VanDerWaalsContact C-N 3.33Å; A885-T887 PolarHBondContact O-N 2.74Å; A885-Y888 PolarHBondContact O-N 3.27Å; A885-A889 WeakPolarHBondContact O-CB 3.4Å; A885-A889 PolarHBondContact O-N 3.44Å; A885-A889 VanDerWaalsContact O-N 3.14Å
886	I	91.6	Very high	73.1	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.021	45%	0.447	C	S	.	.	H	α-helix	trans	-69.8	-27.6	-176.2	69.5	-178.7	0	0	0	113.2	F817 Q821 L824 F825 F828 L882 L883 K884	F817-I886 HydrophobicContact CD2-CD1 4.21Å; F817-I886 HydrophobicContact CE2-CD1 3.75Å; Q821-I886 HydrophobicContact CB-CD1 4.45Å; Q821-I886 WeakPolarHBondContact O-CD1 3.46Å; L824-I886 HydrophobicContact CB-CB 4.21Å; L824-I886 HydrophobicContact CB-CD1 4.47Å; L824-I886 HydrophobicContact CB-CG1 4.38Å; F825-I886 HydrophobicContact CB-CD1 4.32Å; F825-I886 HydrophobicContact CB-CG2 4.13Å; F825-I886 HydrophobicContact CD2-CG2 4.18Å; F828-I886 HydrophobicContact CB-CB 4.36Å; F828-I886 HydrophobicContact CB-CG2 3.9Å; F828-I886 HydrophobicContact CD1-CG2 3.94Å; F828-I886 HydrophobicContact CG-CG2 3.98Å; L882-I886 HydrophobicContact CD1-CG2 4.35Å; L882-I886 WeakPolarHBondContact O-CG2 3.29Å; L882-I886 PolarHBondContact O-N 3.43Å; L883-I886 HydrophobicContact CD1-CD1 4.17Å; L883-I886 HydrophobicContact CD1-CG1 4.41Å; L883-I886 WeakPolarHBondContact O-CG1 3.5Å; K884-I886 PolarHBondContact O-N 3.16Å
887	T	87.3	Confident	72.1	Confident	77 Å²	77	84 Å²	84	47%	0.472	44%	0.435	S	S	.	.	H	α-helix	trans	-82.4	-36.2	176.1	-58.7	0	0	0	0	112.7	L883 K884 A885	L883-T887 WeakPolarHBondContact O-CB 3.33Å; L883-T887 PolarHBondContact O-N 3.39Å; L883-T887 VanDerWaalsContact O-N 3.14Å; L883-T887 PolarHBondContact O-OG1 3.11Å; L883-T887 VanDerWaalsContact O-OG1 3.07Å; K884-T887 PolarHBondContact O-N 3.07Å; A885-T887 VanDerWaalsContact C-N 3.33Å; A885-T887 PolarHBondContact O-N 2.74Å
888	Y	80.1	Confident	70.9	Confident	169 Å²	169	87 Å²	87	66%	0.663	45%	0.452	S	S	*	.	H	α-helix	trans	-88.6	-4.4	-177.2	-74.2	-71.7	0	0	0	114.5	K884 A885 K890	K884-Y888 HydrophobicContact CB-CD2 4.19Å; K884-Y888 HydrophobicContact CG-CD2 4.44Å; K884-Y888 HydrophobicContact CG-CE2 4.28Å; K884-Y888 WeakPolarHBondContact O-CB 3.36Å; K884-Y888 VanDerWaalsContact O-CD2 3.23Å; K884-Y888 WeakPolarHBondContact O-CD2 3.44Å; K884-Y888 PolarHBondContact O-N 3.25Å; A885-Y888 PolarHBondContact O-N 3.27Å; Y888-K890 VanDerWaalsContact C-N 3.34Å; Y888-K890 PolarHBondContact O-N 3.43Å
889	A	64.4	Low	69.5	Low	51 Å²	51	92.1 Å²	92.1	42%	0.421	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-13.8	-177.5	0	0	0	0	0	115.9	F828 A885 G891	F828-A889 HydrophobicContact CD2-CB 3.58Å; F828-A889 HydrophobicContact CE2-CB 4.15Å; A885-A889 WeakPolarHBondContact O-CB 3.4Å; A885-A889 PolarHBondContact O-N 3.44Å; A885-A889 VanDerWaalsContact O-N 3.14Å; A889-G891 PolarHBondContact O-N 2.94Å
890	K	49.3	Very low	68	Low	164 Å²	164	92.4 Å²	92.4	71%	0.713	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	13.4	-179.4	-94.7	-166.1	177	-171.3	0	115.5	Y888	Y888-K890 VanDerWaalsContact C-N 3.34Å; Y888-K890 PolarHBondContact O-N 3.43Å
891	G	35.6	Very low	66.2	Low	46 Å²	46	92.8 Å²	92.8	47%	0.474	49%	0.494	S	S	.	.	S	Bend	trans	-157.2	152.9	166.6	0	0	0	0	0	108.5	A889 G893	A889-G891 PolarHBondContact O-N 2.94Å; G891-G893 PolarHBondContact O-N 2.88Å
892	F	38.8	Very low	64.3	Low	204 Å²	204	96.1 Å²	96.1	90%	0.895	52%	0.516	S	S	*	.			trans	-52.3	93.4	-175.7	-81.9	-99	0	0	0	112.8	M894	F892-M894 PolarHBondContact O-N 3.27Å
893	G	30	Very low	62.1	Low	75 Å²	75	103.5 Å²	103.5	77%	0.773	56%	0.556	S	S	*	*			trans	-84.7	22.8	-179.9	0	0	0	0	0	114.3	G891	G891-G893 PolarHBondContact O-N 2.88Å
894	M	28.7	Very low	59.5	Low	175 Å²	175	107.7 Å²	107.7	86%	0.862	58%	0.579	S	S	*	*			trans	-103.3	89.4	167.8	-71.7	-163.6	-66.4	0	0	109.3	F892	F892-M894 PolarHBondContact O-N 3.27Å
895	L	26.9	Very low	56.6	Low	241 Å²	241	110.1 Å²	110.1	100%	1.262	60%	0.6	S	S	*	*			trans	-119.9	0	162	-94.9	168.6	0	0	0	108.7

Retrieved 895 of 895 residues in 689.2 ms (Link to these results)

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