A0A060X6D2_ONCMY Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors.

AlphaFold DB , UniProt , Accession A0A060X6D2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene wnt9a, Length 403 aa.

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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	39	Very low	36.5	Very low	254 Å²	254	154.8 Å²	154.8	100%	1.251	88%	0.884	S	S	*	*				0	104.7	0	-72.2	174.7	174.7	0	0	107.7
2	G	42	Very low	36.6	Very low	88 Å²	88	158.4 Å²	158.4	91%	0.907	88%	0.882	S	S	*	*			trans	158.4	81.8	-171.9	0	0	0	0	0	110.5
3	G	35.6	Very low	36.6	Very low	82 Å²	82	156.5 Å²	156.5	85%	0.845	88%	0.884	S	S	*	*			trans	169.9	55.6	-175.3	0	0	0	0	0	112.7
4	A	35.6	Very low	36.6	Very low	93 Å²	93	162.1 Å²	162.1	77%	0.769	88%	0.884	S	S	*	*	S	Bend	trans	-171	53.5	167.8	0	0	0	0	0	111.7
5	Q	36	Very low	36.7	Very low	191 Å²	191	160 Å²	160	89%	0.893	88%	0.878	S	S	*	*	S	Bend	trans	-152.8	30.4	174.9	-119.2	173.3	5.5	0	0	115
6	M	35.9	Very low	36.4	Very low	191 Å²	191	164.4 Å²	164.4	94%	0.941	88%	0.88	S	S	*	*	S	Bend	trans	-126.4	13.2	176.2	-112.8	167.9	67.8	0	0	114.4
7	S	33.9	Very low	36.1	Very low	110 Å²	110	164.8 Å²	164.8	77%	0.769	88%	0.882	S	S	*	*	S	Bend	trans	-110.8	-0.5	177.7	63.4	0	0	0	0	114.8
8	S	34.8	Very low	35.8	Very low	109 Å²	109	167 Å²	167	76%	0.762	88%	0.882	S	S	*	*	S	Bend	trans	-101.7	-6.4	-176.4	-160.7	0	0	0	0	115.1
9	L	40.6	Very low	35.3	Very low	157 Å²	157	161.7 Å²	161.7	82%	0.822	87%	0.872	S	S	*	*	S	Bend	trans	-99.3	-5.2	-176	-85.5	157.3	0	0	0	115.2
10	Y	33.8	Very low	34.9	Very low	231 Å²	231	163.3 Å²	163.3	91%	0.906	87%	0.871	S	S	*	*	S	Bend	trans	-98.5	3.9	-176.9	-121.5	-89.9	0	0	0	115.3
11	K	34.9	Very low	34.4	Very low	197 Å²	197	166.8 Å²	166.8	86%	0.857	87%	0.874	S	S	*	*	S	Bend	trans	-110.2	13.4	-175.8	-89.5	-175.6	178.3	178.7	0	115.9
12	K	37.8	Very low	33.8	Very low	198 Å²	198	160.3 Å²	160.3	86%	0.861	85%	0.849	S	S	*	*	S	Bend	trans	-122.9	30.9	-177.3	-120.3	178.2	-174.1	-179.8	0	116.2
13	C	35.7	Very low	33	Very low	134 Å²	134	160.6 Å²	160.6	91%	0.905	84%	0.842	S	S	*	*	S	Bend	trans	-131.6	49.7	167.4	-92.1	0	0	0	0	111.4
14	R	36.5	Very low	32.6	Very low	234 Å²	234	164 Å²	164	88%	0.883	85%	0.847	S	S	*	*	S	Bend	trans	-144.9	61.2	171.7	-157.1	-172.5	-111.7	-168.2	-1.8	111.6
15	T	38.5	Very low	32	Very low	131 Å²	131	168.7 Å²	168.7	80%	0.804	85%	0.853	S	S	*	*	S	Bend	trans	-179.1	95.8	158.7	23	0	0	0	0	106.5
16	Y	32.6	Very low	31.5	Very low	230 Å²	230	167.4 Å²	167.4	90%	0.902	85%	0.847	S	S	*	*			trans	175.4	80.7	149.1	-104.4	-75.6	0	0	0	107.8
17	N	31.5	Very low	31	Very low	171 Å²	171	166.9 Å²	166.9	91%	0.914	84%	0.839	S	S	*	*			trans	-162.1	77	149.8	-113.2	-20.8	0	0	0	108.7
18	K	29.1	Very low	30.5	Very low	205 Å²	205	172.3 Å²	172.3	89%	0.891	84%	0.843	S	S	*	*	S	Bend	trans	-141.3	118.2	159.8	-91.7	-168.6	176.6	-177.9	0	107.9
19	G	27	Very low	30	Very low	67 Å²	67	174.1 Å²	174.1	69%	0.691	84%	0.844	S	S	*	*			trans	79.8	121.5	163.2	0	0	0	0	0	114.6
20	F	26.6	Very low	29.2	Very low	192 Å²	192	173.4 Å²	173.4	84%	0.842	84%	0.841	S	S	*	*				167.3	92.7	128.4	-91.6	-71	0	0	0	108.5
21	Y	24.5	Very low	28.7	Very low	238 Å²	238	169.2 Å²	169.2	93%	0.933	83%	0.834	S	S	*	*			trans	-128.3	89.7	151.1	-84	-77.3	0	0	0	106.8
22	T	26.9	Very low	28.4	Very low	118 Å²	118	165.6 Å²	165.6	72%	0.724	83%	0.83	S	S	*	*			trans	-139.9	123.4	158.3	41	0	0	0	0	109.6
23	A	25.9	Very low	27.7	Very low	94 Å²	94	164.7 Å²	164.7	78%	0.777	82%	0.822	S	S	*	*			trans	55.3	121.5	147.7	0	0	0	0	0	119.9
24	T	26	Very low	27.1	Very low	154 Å²	154	164 Å²	164	95%	0.945	82%	0.818	S	S	*	*				-142.9	126.1	128.4	20	0	0	0	0	109.1
25	Q	23.7	Very low	26.5	Very low	190 Å²	190	161.4 Å²	161.4	89%	0.888	81%	0.809	S	S	*	*			trans	-117	134.5	177.7	-149.2	-172.6	16.6	0	0	105.8
26	E	25.3	Very low	25.8	Very low	165 Å²	165	160 Å²	160	77%	0.771	80%	0.804	S	S	*	*			trans	156.2	139.1	156.5	-97.2	-167.3	137.9	0	0	107.7
27	K	24.7	Very low	25.6	Very low	179 Å²	179	158.1 Å²	158.1	78%	0.778	80%	0.8	S	S	*	*			cis	-153.8	152.3	24.5	-117.5	161.6	-167.6	174.9	0	110.3
28	R	24.4	Very low	25.3	Very low	224 Å²	224	158.8 Å²	158.8	85%	0.845	80%	0.8	S	S	*	*			trans	-93	151.1	177.4	-171.3	-173.5	-71.6	177.7	-3.7	109
29	N	24.7	Very low	25.3	Very low	148 Å²	148	156.9 Å²	156.9	79%	0.791	80%	0.799	S	S	*	*			trans	-179.3	142.3	154.4	-81.4	-10.9	0	0	0	105.1
30	D	24.1	Very low	25.3	Very low	141 Å²	141	161.6 Å²	161.6	75%	0.754	81%	0.808	S	S	*	*			cis	-161.2	157.5	-17.1	-99.5	-40.9	0	0	0	106.4
31	L	22.9	Very low	25.4	Very low	143 Å²	143	156.2 Å²	156.2	75%	0.749	81%	0.807	S	S	*	*			trans	-57.3	175	176.9	-84.1	158.4	0	0	0	114
32	P	28.1	Very low	25.7	Very low	121 Å²	121	153.3 Å²	153.3	79%	0.786	80%	0.802	S	S	*	*			cis	-148.6	153.9	35	37.9	-14.2	0	0	0	121.2
33	W	22.4	Very low	25.8	Very low	180 Å²	180	154.1 Å²	154.1	68%	0.682	80%	0.801	S	S	*	*			trans	-0.8	139.2	140.2	-103.7	43.6	0	0	0	122.5	R35	W33-R35 HydrophobicContact CE3-CG 4.15Å; W33-R35 HydrophobicContact CH2-CG 4.16Å; W33-R35 HydrophobicContact CZ3-CG 3.86Å
34	S	23.6	Very low	26.1	Very low	119 Å²	119	157.9 Å²	157.9	83%	0.832	81%	0.807	S	S	*	*			trans	-151	133.8	130.4	178.7	0	0	0	0	111.7
35	R	24.6	Very low	26.3	Very low	180 Å²	180	158.4 Å²	158.4	68%	0.679	80%	0.803	S	S	*	*			trans	-61.8	166.4	167.9	-58.1	177.5	-173	177.3	7.1	109.4	W33	W33-R35 HydrophobicContact CE3-CG 4.15Å; W33-R35 HydrophobicContact CH2-CG 4.16Å; W33-R35 HydrophobicContact CZ3-CG 3.86Å
36	S	23.5	Very low	26.6	Very low	102 Å²	102	152.3 Å²	152.3	71%	0.713	79%	0.791	S	S	*	*				171.6	163.4	50.8	-153	0	0	0	0	111.2
37	K	27.5	Very low	26.8	Very low	189 Å²	189	155.6 Å²	155.6	82%	0.822	80%	0.797	S	S	*	*			trans	99.2	107.2	151.1	-63.8	-173.4	-178	-175.9	0	120
38	M	25.3	Very low	27.1	Very low	185 Å²	185	153.9 Å²	153.9	91%	0.911	80%	0.795	S	S	*	*			trans	-64.6	149.2	145.1	-76.4	169.3	142.2	0	0	111.2
39	L	28.9	Very low	27.6	Very low	166 Å²	166	147.4 Å²	147.4	87%	0.869	78%	0.784	S	S	*	*			trans	-159.5	125.5	149	-106.6	148	0	0	0	109.4
40	D	27.8	Very low	28.1	Very low	165 Å²	165	149.5 Å²	149.5	88%	0.882	79%	0.787	S	S	*	*			trans	-71.8	157.5	170.9	-68.8	-55.5	0	0	0	112
41	G	28	Very low	28.7	Very low	79 Å²	79	149.2 Å²	149.2	81%	0.814	79%	0.79	S	S	*	*			trans	171.1	111.1	166.5	0	0	0	0	0	115.2
42	H	31.4	Very low	29.3	Very low	178 Å²	178	148.7 Å²	148.7	82%	0.824	79%	0.793	S	S	*	*			trans	-73.3	160.3	-176.6	-103.1	-103.8	0	0	0	116.1
43	L	29.6	Very low	29.8	Very low	134 Å²	134	150.7 Å²	150.7	70%	0.702	80%	0.795	S	S	*	*			trans	69.8	125	151.8	-99	78	0	0	0	119.6
44	L	32.4	Very low	30.6	Very low	173 Å²	173	147.4 Å²	147.4	91%	0.906	80%	0.795	S	S	*	*				-170.9	142.4	111.1	-93.9	170.3	0	0	0	111.5
45	L	30.3	Very low	31	Very low	166 Å²	166	152.5 Å²	152.5	87%	0.869	80%	0.797	S	S	*	*			trans	-76.7	140.5	179.1	-78.4	123	0	0	0	112.2
46	G	28.5	Very low	31.5	Very low	62 Å²	62	151.5 Å²	151.5	64%	0.639	81%	0.805	S	S	*	*				108.1	133.5	122.5	0	0	0	0	0	119.6
47	W	30.5	Very low	32.1	Very low	234 Å²	234	155.8 Å²	155.8	89%	0.886	81%	0.811	S	S	*	*			trans	101.3	110.9	149	-67.8	69.6	0	0	0	119.5
48	L	30.2	Very low	32.4	Very low	142 Å²	142	154.5 Å²	154.5	74%	0.743	81%	0.813	S	S	*	*			trans	71.6	144.1	143.3	-59.9	169.5	0	0	0	117.1
49	S	35.7	Very low	32.5	Very low	88 Å²	88	153.7 Å²	153.7	62%	0.615	81%	0.812	S	S	*	*			cis	179.2	149.6	-16.5	-116.7	0	0	0	0	103.7
50	F	34.3	Very low	32.6	Very low	193 Å²	193	152 Å²	152	85%	0.846	81%	0.81	S	S	*	*			trans	64.7	99.2	162.6	-85.9	-104.9	0	0	0	118.8
51	T	37.4	Very low	32.7	Very low	135 Å²	135	146.8 Å²	146.8	83%	0.828	80%	0.796	S	S	*	*				163.4	159.1	114.2	38	0	0	0	0	110
52	V	34.5	Very low	32.9	Very low	132 Å²	132	148.7 Å²	148.7	80%	0.8	79%	0.794	S	S	*	*			trans	89.4	58	-178.2	-155	0	0	0	0	115.2
53	I	39.7	Very low	33.4	Very low	163 Å²	163	146.1 Å²	146.1	84%	0.836	79%	0.791	S	S	*	*			trans	-74.4	150.5	134.1	-66.9	175.3	0	0	0	107
54	V	39.5	Very low	33.8	Very low	111 Å²	111	142.3 Å²	142.3	67%	0.673	77%	0.773	S	S	*	*			trans	94.3	74.9	-178.2	-164.4	0	0	0	0	113.5
55	Y	31.6	Very low	33.9	Very low	225 Å²	225	135.1 Å²	135.1	88%	0.882	74%	0.739	S	S	*	*			trans	-169.6	56.7	133.9	-102	-71.8	0	0	0	109.8
56	L	35.5	Very low	34.2	Very low	160 Å²	160	129.1 Å²	129.1	84%	0.838	71%	0.705	S	S	*	*			trans	-126.3	92.7	158.5	-84	171.7	0	0	0	105.6
57	F	36.4	Very low	34.6	Very low	192 Å²	192	126.5 Å²	126.5	84%	0.842	68%	0.676	S	S	*	*			trans	166.1	121	152.4	-89.4	-64.4	0	0	0	106.2
58	N	32.8	Very low	34.6	Very low	161 Å²	161	115.8 Å²	115.8	86%	0.861	64%	0.638	S	S	*	*			trans	137.1	70.8	158.8	-73.7	-61.5	0	0	0	111.9
59	L	28.2	Very low	35.4	Very low	169 Å²	169	110.2 Å²	110.2	89%	0.885	61%	0.609	S	S	*	*			trans	-117.8	115.2	148.9	-88.4	157.9	0	0	0	106.6	G61	L59-G61 PolarHBondContact O-N 3.19Å
60	P	31.2	Very low	35.7	Very low	129 Å²	129	107 Å²	107	84%	0.838	59%	0.586	S	S	*	*			trans	-72.9	109.9	175.9	27.4	-28.9	0	0	0	109
61	G	29	Very low	36	Very low	57 Å²	57	100 Å²	100	59%	0.588	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-68	157.1	173.2	0	0	0	0	0	112.5	L59 T63	L59-G61 PolarHBondContact O-N 3.19Å; G61-T63 PolarHBondContact O-N 2.93Å
62	P	32	Very low	36.1	Very low	119 Å²	119	100.1 Å²	100.1	77%	0.773	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-69.9	125.2	-167	27.4	-32.9	0	0	0	112.3
63	T	43.3	Very low	36.1	Very low	123 Å²	123	100.8 Å²	100.8	76%	0.755	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.5	120.3	174.6	45.3	0	0	0	0	111.3	G61	G61-T63 PolarHBondContact O-N 2.93Å
64	T	37.2	Very low	35.9	Very low	54 Å²	54	94.2 Å²	94.2	33%	0.331	53%	0.526	S	S	.	.			trans	-142.7	142.9	171.9	57.6	0	0	0	0	114.2	I77 P79	T64-I77 WeakPolarHBondContact CB-O 3.2Å; T64-I77 PolarHBondContact OG1-O 2.9Å; T64-P79 HydrophobicContact CG2-CG 3.91Å
65	A	34.2	Very low	35.6	Very low	22 Å²	22	89.7 Å²	89.7	18%	0.182	50%	0.498	C	S	.	.			trans	-69.2	167.4	-167.2	0	0	0	0	0	114.6	I77	A65-I77 HydrophobicContact CB-CB 4.18Å; A65-I77 HydrophobicContact CB-CD1 3.4Å; A65-I77 VanDerWaalsContact CB-CD1 3.4Å; A65-I77 HydrophobicContact CB-CG1 4.23Å; A65-I77 WeakPolarHBondContact O-CA 2.95Å; A65-I77 WeakPolarHBondContact O-CB 3.01Å; A65-I77 WeakPolarHBondContact O-CG1 3.08Å; A65-I77 PolarHBondContact O-N 2.89Å
66	Y	37.5	Very low	35.9	Very low	40 Å²	40	80.4 Å²	80.4	16%	0.157	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.7	-166.9	-120	-113.8	0	0	0	113.6	P74 L75 S76 K100 R148	Y66-P74 HydrophobicContact CD1-CB 3.48Å; Y66-P74 VanDerWaalsContact CD1-CB 3.48Å; Y66-P74 HydrophobicContact CD1-CG 3.62Å; Y66-P74 HydrophobicContact CE1-CB 3.3Å; Y66-P74 HydrophobicContact CE1-CG 3.34Å; Y66-P74 WeakPolarHBondContact CE1-O 3.37Å; Y66-P74 PolarHBondContact OH-O 3.48Å; Y66-L75 WeakPolarHBondContact CD1-O 3.45Å; Y66-L75 VanDerWaalsContact CD2-O 3.32Å; Y66-L75 WeakPolarHBondContact CD2-O 3.36Å; Y66-L75 VanDerWaalsContact CE1-N 3.25Å; Y66-L75 WeakPolarHBondContact CE1-O 3.47Å; Y66-L75 WeakPolarHBondContact CE2-O 3.33Å; Y66-S76 VanDerWaalsContact CE2-CB 3.41Å; Y66-K100 WeakPolarHBondContact OH-CE 3.12Å; Y66-K100 PolarHBondContact OH-NZ 3.16Å; Y66-R148 WeakPolarHBondContact O-CD 3.32Å; Y66-R148 PolarHBondContact O-NE 3.17Å; Y66-R148 VanDerWaalsContact O-NE 3.16Å; Y66-R148 PolarHBondContact O-NH1 3.01Å
67	F	35.4	Very low	36	Very low	7 Å²	7	74 Å²	74	3%	0.031	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	127.8	165.8	-88	-99.9	0	0	0	109.7	L75 I77 I123 A127 L143 S166	F67-L75 PolarHBondContact N-O 2.85Å; F67-L75 WeakPolarHBondContact O-CB 3.4Å; F67-L75 WeakPolarHBondContact O-CG 3.28Å; F67-I77 HydrophobicContact CD2-CD1 4.27Å; F67-I123 HydrophobicContact CB-CB 3.93Å; F67-I123 HydrophobicContact CB-CD1 4.17Å; F67-I123 HydrophobicContact CB-CG1 3.57Å; F67-I123 HydrophobicContact CB-CG2 3.65Å; F67-I123 HydrophobicContact CD2-CB 4.39Å; F67-I123 HydrophobicContact CD2-CG2 3.7Å; F67-I123 WeakPolarHBondContact CD2-O 3.4Å; F67-I123 VanDerWaalsContact CE2-O 3.23Å; F67-I123 WeakPolarHBondContact CE2-O 3.37Å; F67-I123 HydrophobicContact CG-CB 4.21Å; F67-I123 HydrophobicContact CG-CG1 4.28Å; F67-I123 HydrophobicContact CG-CG2 3.91Å; F67-A127 HydrophobicContact CD2-CB 4.06Å; F67-A127 HydrophobicContact CE2-CB 3.15Å; F67-A127 VanDerWaalsContact CE2-N 3.26Å; F67-A127 HydrophobicContact CZ-CB 3.82Å; F67-L143 HydrophobicContact CD2-CD1 4.2Å; F67-L143 HydrophobicContact CE2-CD1 3.19Å; F67-L143 HydrophobicContact CZ-CD1 3.38Å; F67-S166 VanDerWaalsContact CD1-OG 3.3Å; F67-S166 WeakPolarHBondContact CD1-OG 3.18Å; F67-S166 WeakPolarHBondContact CE1-OG 3.29Å
68	G	31	Very low	36.2	Very low	9 Å²	9	67.4 Å²	67.4	9%	0.093	41%	0.405	C	S	.	.			trans	-146.4	130.4	174.1	0	0	0	0	0	109.6	R148	G68-R148 VanDerWaalsContact N-NH2 3.13Å; G68-R148 PolarHBondContact O-NH2 3.02Å
69	L	47.7	Very low	36.3	Very low	25 Å²	25	63.7 Å²	63.7	13%	0.131	39%	0.39	C	S	.	.			trans	-111.6	28.6	176.9	-85.2	176	0	0	0	112.4	Y163 L220 R223	L69-Y163 HydrophobicContact CD2-CD1 3.37Å; L69-Y163 HydrophobicContact CD2-CE1 3.83Å; L69-Y163 HydrophobicContact CD2-CG 4.12Å; L69-L220 HydrophobicContact CB-CD2 3.66Å; L69-L220 HydrophobicContact CD1-CD1 4.09Å; L69-L220 HydrophobicContact CD1-CD2 3.73Å; L69-L220 HydrophobicContact CG-CD2 4.35Å; L69-R223 PolarHBondContact O-NH2 2.82Å; L69-R223 VanDerWaalsContact O-NH2 3.15Å
70	T	41.3	Very low	36.6	Very low	21 Å²	21	64.4 Å²	64.4	13%	0.129	39%	0.394	C	S	.	.	S	Bend	trans	-135.8	138.2	163.6	55.4	0	0	0	0	111	E102 Q105	T70-E102 WeakPolarHBondContact CB-OE1 3.06Å; T70-E102 HydrophobicContact CG2-CG 4.41Å; T70-E102 WeakPolarHBondContact CG2-OE1 3.22Å; T70-Q105 VanDerWaalsContact CG2-NE2 3.28Å
71	G	40.7	Very low	36.8	Very low	47 Å²	47	63.2 Å²	63.2	49%	0.485	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	137.5	-175.8	0	0	0	0	0	111.6
72	N	39	Very low	37.1	Very low	137 Å²	137	65.8 Å²	65.8	73%	0.733	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	33.5	171	-60.1	-11.9	0	0	0	119.5
73	E	34.8	Very low	37.2	Very low	146 Å²	146	68.1 Å²	68.1	68%	0.682	40%	0.398	S	S	*	.	S	Bend	trans	150.1	136.9	135.4	-82.7	173.5	177.7	0	0	111.9
74	P	35.5	Very low	37.1	Very low	24 Å²	24	68.1 Å²	68.1	16%	0.156	40%	0.401	C	S	.	.			trans	-119.2	176.9	-144.5	22	-1.1	0	0	0	116.9	Y66 K100	Y66-P74 HydrophobicContact CD1-CB 3.48Å; Y66-P74 VanDerWaalsContact CD1-CB 3.48Å; Y66-P74 HydrophobicContact CD1-CG 3.62Å; Y66-P74 HydrophobicContact CE1-CB 3.3Å; Y66-P74 HydrophobicContact CE1-CG 3.34Å; Y66-P74 WeakPolarHBondContact CE1-O 3.37Å; Y66-P74 PolarHBondContact OH-O 3.48Å; P74-K100 VanDerWaalsContact C-CB 3.46Å; P74-K100 WeakPolarHBondContact O-CB 3.5Å; P74-K100 WeakPolarHBondContact O-CD 3.45Å; P74-K100 WeakPolarHBondContact O-CE 3.32Å; P74-K100 WeakPolarHBondContact O-CG 3.41Å
75	L	34.2	Very low	37.5	Very low	17 Å²	17	73.2 Å²	73.2	9%	0.089	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145.3	-177.8	-29.7	176.3	0	0	0	116.6	Y66 F67 L99 K100 L101 I123	Y66-L75 WeakPolarHBondContact CD1-O 3.45Å; Y66-L75 VanDerWaalsContact CD2-O 3.32Å; Y66-L75 WeakPolarHBondContact CD2-O 3.36Å; Y66-L75 VanDerWaalsContact CE1-N 3.25Å; Y66-L75 WeakPolarHBondContact CE1-O 3.47Å; Y66-L75 WeakPolarHBondContact CE2-O 3.33Å; F67-L75 PolarHBondContact N-O 2.85Å; F67-L75 WeakPolarHBondContact O-CB 3.4Å; F67-L75 WeakPolarHBondContact O-CG 3.28Å; L75-L99 HydrophobicContact CB-CB 3.88Å; L75-L99 HydrophobicContact CB-CD2 3.58Å; L75-L99 HydrophobicContact CB-CG 4.34Å; L75-L99 HydrophobicContact CD1-CB 4Å; L75-L99 HydrophobicContact CD1-CD2 4Å; L75-L99 HydrophobicContact CD1-CG 4.4Å; L75-L99 VanDerWaalsContact CD2-C 3.43Å; L75-L99 HydrophobicContact CD2-CB 3.91Å; L75-L99 HydrophobicContact CG-CB 4.14Å; L75-L99 HydrophobicContact CG-CD2 4.32Å; L75-K100 HydrophobicContact CD2-CB 3.86Å; L75-K100 WeakPolarHBondContact CD2-O 3.1Å; L75-L101 HydrophobicContact CD1-CD2 3.38Å; L75-L101 HydrophobicContact CD1-CG 4.24Å; L75-L101 HydrophobicContact CD2-CB 4.38Å; L75-L101 HydrophobicContact CD2-CD2 3.63Å; L75-L101 HydrophobicContact CD2-CG 3.85Å; L75-L101 HydrophobicContact CG-CD2 4.2Å; L75-I123 HydrophobicContact CD1-CD1 4.23Å
76	S	36.9	Very low	38.1	Very low	30 Å²	30	81.1 Å²	81.1	21%	0.21	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.9	-176.7	-0.9	0	0	0	0	116.5	Y66 R98	Y66-S76 VanDerWaalsContact CE2-CB 3.41Å; S76-R98 PolarHBondContact N-O 2.82Å; S76-R98 PolarHBondContact OG-O 2.91Å
77	I	38.3	Very low	38.7	Very low	26 Å²	26	85.3 Å²	85.3	13%	0.133	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-82.7	149.8	161	-62.5	169.2	0	0	0	108.3	T64 A65 F67 I123	T64-I77 WeakPolarHBondContact CB-O 3.2Å; T64-I77 PolarHBondContact OG1-O 2.9Å; A65-I77 HydrophobicContact CB-CB 4.18Å; A65-I77 HydrophobicContact CB-CD1 3.4Å; A65-I77 VanDerWaalsContact CB-CD1 3.4Å; A65-I77 HydrophobicContact CB-CG1 4.23Å; A65-I77 WeakPolarHBondContact O-CA 2.95Å; A65-I77 WeakPolarHBondContact O-CB 3.01Å; A65-I77 WeakPolarHBondContact O-CG1 3.08Å; A65-I77 PolarHBondContact O-N 2.89Å; F67-I77 HydrophobicContact CD2-CD1 4.27Å; I77-I123 HydrophobicContact CD1-CG2 3.47Å; I77-I123 VanDerWaalsContact CD1-CG2 3.47Å; I77-I123 HydrophobicContact CG1-CG2 3.3Å
78	L	39.5	Very low	39.6	Very low	52 Å²	52	91.2 Å²	91.2	27%	0.272	52%	0.515	S	S	.	.			trans	-121.7	158.8	177.9	-66.7	127	0	0	0	111.4	R98 M120	L78-R98 HydrophobicContact CD1-CB 3.79Å; L78-R98 HydrophobicContact CD1-CG 4.06Å; L78-R98 HydrophobicContact CD2-CG 4.4Å; L78-M120 HydrophobicContact CD1-CE 4.02Å
79	P	35	Very low	40.8	Very low	84 Å²	84	93.3 Å²	93.3	55%	0.545	54%	0.537	S	S	.	.			trans	-70.7	138.8	168.8	0.2	19.2	0	0	0	109.2	T64 S81	T64-P79 HydrophobicContact CG2-CG 3.91Å; P79-S81 PolarHBondContact O-N 2.8Å
80	L	34.8	Very low	41.6	Very low	184 Å²	184	101.3 Å²	101.3	96%	0.963	57%	0.565	S	S	*	*			trans	-78.5	83	175.2	-155.5	82.4	0	0	0	109.1
81	S	36.6	Very low	43.3	Very low	103 Å²	103	102.8 Å²	102.8	72%	0.72	58%	0.579	S	S	*	*			trans	-114.1	98.6	161.9	68.5	0	0	0	0	108.5	P79 Q83	P79-S81 PolarHBondContact O-N 2.8Å; S81-Q83 PolarHBondContact O-N 2.98Å
82	S	34.7	Very low	45.3	Very low	112 Å²	112	101.3 Å²	101.3	78%	0.783	56%	0.56	S	S	*	*			trans	-77.1	102.3	171	53.4	0	0	0	0	109.1
83	Q	33.5	Very low	47.5	Very low	167 Å²	167	99.4 Å²	99.4	78%	0.78	54%	0.543	S	S	*	.			trans	-88.1	131.9	150.8	-72.9	-75.5	-11.8	0	0	106.6	S81 E85	S81-Q83 PolarHBondContact O-N 2.98Å; Q83-E85 PolarHBondContact O-N 2.76Å; Q83-E85 VanDerWaalsContact O-N 3.16Å
84	P	41.6	Very low	50	Low	124 Å²	124	98 Å²	98	81%	0.805	54%	0.535	S	S	*	.			trans	-77.3	102.2	176.7	30.3	-27.9	0	0	0	108.2
85	E	45.7	Very low	52.5	Low	160 Å²	160	98.7 Å²	98.7	75%	0.748	54%	0.537	S	S	*	.			trans	-102.2	125.1	165.2	-82	-164.3	160	0	0	110.2	Q83 N87	Q83-E85 PolarHBondContact O-N 2.76Å; Q83-E85 VanDerWaalsContact O-N 3.16Å; E85-N87 PolarHBondContact O-N 3.05Å
86	E	46.8	Very low	55.2	Low	188 Å²	188	97.9 Å²	97.9	88%	0.879	53%	0.533	S	S	*	.	S	Bend	trans	-58.4	94.7	167.8	-73.6	175.5	132.3	0	0	109.9
87	N	49.7	Very low	57.6	Low	128 Å²	128	99.5 Å²	99.5	68%	0.684	54%	0.539	S	S	*	.			trans	174.9	78.1	146.4	-89.6	-46.7	0	0	0	110.1	E85 G89 R90	E85-N87 PolarHBondContact O-N 3.05Å; N87-G89 PolarHBondContact O-N 2.93Å; N87-R90 PolarHBondContact O-N 3.38Å; N87-R90 VanDerWaalsContact O-N 3.16Å
88	V	55.4	Low	59.8	Low	131 Å²	131	104 Å²	104	79%	0.794	55%	0.554	S	S	*	*	H	α-helix	trans	-53.9	-30.1	-177.6	-177.2	0	0	0	0	112.5	R90	V88-R90 VanDerWaalsContact C-N 3.34Å; V88-R90 PolarHBondContact O-N 3.36Å
89	G	55.5	Low	62	Low	53 Å²	53	101.5 Å²	101.5	55%	0.546	54%	0.541	S	S	.	.	H	α-helix	trans	-67.5	-21.8	-179.1	0	0	0	0	0	116	N87 H92 Y93	N87-G89 PolarHBondContact O-N 2.93Å; G89-H92 PolarHBondContact O-CE1 2.89Å; G89-H92 PolarHBondContact O-ND1 3.4Å; G89-Y93 WeakPolarHBondContact O-CD2 3.37Å; G89-Y93 WeakPolarHBondContact O-CE2 3.4Å
90	R	65.1	Low	64.3	Low	194 Å²	194	102.2 Å²	102.2	73%	0.732	54%	0.535	S	S	*	.	H	α-helix	trans	-111.2	-12.5	-178.3	-70.1	-175.8	-177.9	177.5	1.7	114.4	N87 V88 H92 Y93 K94	N87-R90 PolarHBondContact O-N 3.38Å; N87-R90 VanDerWaalsContact O-N 3.16Å; V88-R90 VanDerWaalsContact C-N 3.34Å; V88-R90 PolarHBondContact O-N 3.36Å; R90-H92 PolarHBondContact O-N 2.83Å; R90-Y93 PolarHBondContact O-N 3.08Å; R90-K94 PolarHBondContact O-N 2.95Å
91	A	77.1	Confident	66.7	Low	51 Å²	51	93.9 Å²	93.9	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-41.8	-177.2	0	0	0	0	0	112.7	Y93 K94 L95	A91-Y93 PolarHBondContact O-N 3.36Å; A91-K94 WeakPolarHBondContact O-CB 3.02Å; A91-K94 PolarHBondContact O-N 3.38Å; A91-L95 PolarHBondContact O-N 3.31Å; A91-L95 VanDerWaalsContact O-N 3.08Å
92	H	81.4	Confident	69.1	Low	17 Å²	17	93.6 Å²	93.6	8%	0.079	48%	0.479	C	S	.	.	H	α-helix	trans	-69.8	-29.7	-179.5	71.2	-84.4	0	0	0	113.3	G89 R90 L95 C96 P113 A116	G89-H92 PolarHBondContact O-CE1 2.89Å; G89-H92 PolarHBondContact O-ND1 3.4Å; R90-H92 PolarHBondContact O-N 2.83Å; H92-L95 WeakPolarHBondContact O-CB 3.34Å; H92-L95 PolarHBondContact O-N 1.99Å; H92-C96 PolarHBondContact O-N 3.18Å; H92-C96 PolarHBondContact O-SG 2.86Å; H92-C96 VanDerWaalsContact O-SG 3.34Å; H92-P113 HydrophobicContact CB-CB 3.94Å; H92-A116 HydrophobicContact CB-CB 3.99Å
93	Y	86.6	Confident	71.7	Confident	97 Å²	97	96.5 Å²	96.5	38%	0.38	48%	0.478	S	S	.	.	H	α-helix	trans	-61.6	-44.9	170.3	-72	-94.3	0	0	0	111.1	G89 R90 A91 L95 C96 D97 R110	G89-Y93 WeakPolarHBondContact O-CD2 3.37Å; G89-Y93 WeakPolarHBondContact O-CE2 3.4Å; R90-Y93 PolarHBondContact O-N 3.08Å; A91-Y93 PolarHBondContact O-N 3.36Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 2.67Å; Y93-C96 PolarHBondContact O-N 3.4Å; Y93-D97 WeakPolarHBondContact O-CB 3.34Å; Y93-D97 VanDerWaalsContact O-CG 3.29Å; Y93-D97 PolarHBondContact O-N 2.91Å; Y93-R110 HydrophobicContact CD1-CB 4Å; Y93-R110 VanDerWaalsContact CD1-CD 3.47Å; Y93-R110 HydrophobicContact CD1-CG 3.54Å; Y93-R110 HydrophobicContact CE1-CB 3.72Å; Y93-R110 HydrophobicContact CE1-CG 3.81Å; Y93-R110 HydrophobicContact CG-CG 4.37Å
94	K	87.2	Confident	74.3	Confident	116 Å²	116	93.1 Å²	93.1	50%	0.504	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-40.1	175.4	-64.7	179.7	-179.8	177.3	0	111	R90 A91 D97 R98	R90-K94 PolarHBondContact O-N 2.95Å; A91-K94 WeakPolarHBondContact O-CB 3.02Å; A91-K94 PolarHBondContact O-N 3.38Å; K94-D97 PolarHBondContact O-N 2.72Å; K94-R98 VanDerWaalsContact O-CG 3.24Å; K94-R98 WeakPolarHBondContact O-CG 3.08Å; K94-R98 PolarHBondContact O-N 3.02Å
95	L	87.9	Confident	76.7	Confident	39 Å²	39	87.4 Å²	87.4	20%	0.204	42%	0.423	C	S	.	.	H	α-helix	trans	-60.7	-50	174.1	-70.7	171.3	0	0	0	111.5	A91 H92 Y93 D97 R98 L99 A116 E117	A91-L95 PolarHBondContact O-N 3.31Å; A91-L95 VanDerWaalsContact O-N 3.08Å; H92-L95 WeakPolarHBondContact O-CB 3.34Å; H92-L95 PolarHBondContact O-N 1.99Å; Y93-L95 VanDerWaalsContact C-N 3.3Å; Y93-L95 PolarHBondContact O-N 2.67Å; L95-D97 PolarHBondContact O-N 2.53Å; L95-R98 PolarHBondContact O-N 2.9Å; L95-L99 PolarHBondContact O-N 2.04Å; L95-A116 HydrophobicContact CB-CB 4.04Å; L95-A116 HydrophobicContact CD1-CB 4.41Å; L95-E117 HydrophobicContact CD1-CG 4.03Å
96	C	89.1	Confident	78.9	Confident	0 Å²	0	83.6 Å²	83.6	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-60.7	-29.4	176.2	-65.7	0	0	0	0	113.7	H92 Y93 L99 C109 R110 A116	H92-C96 PolarHBondContact O-N 3.18Å; H92-C96 PolarHBondContact O-SG 2.86Å; H92-C96 VanDerWaalsContact O-SG 3.34Å; Y93-C96 PolarHBondContact O-N 3.4Å; C96-L99 WeakPolarHBondContact O-CB 3.45Å; C96-L99 PolarHBondContact O-N 3.17Å; C96-C109 VanDerWaalsContact CA-SG 3.52Å; C96-C109 HydrophobicContact CB-CB 3.88Å; C96-C109 WeakPolarHBondContact CB-SG 3.49Å; C96-C109 WeakPolarHBondContact SG-CB 2.96Å; C96-C109 PolarHBondContact SG-O 2.86Å; C96-C109 CovalentContact SG-SG 2.03Å; C96-C109 PolarHBondContact SG-SG 3.17Å; C96-R110 HydrophobicContact CB-CG 3.93Å; C96-A116 VanDerWaalsContact SG-CB 3.56Å
97	D	87.4	Confident	81.1	Confident	63 Å²	63	82.2 Å²	82.2	34%	0.337	39%	0.388	S	S	.	.	H	α-helix	trans	-82.4	-27.7	-179.7	-73.5	-33.8	0	0	0	113.6	Y93 K94 L95 L99 R106 R110	Y93-D97 WeakPolarHBondContact O-CB 3.34Å; Y93-D97 VanDerWaalsContact O-CG 3.29Å; Y93-D97 PolarHBondContact O-N 2.91Å; K94-D97 PolarHBondContact O-N 2.72Å; L95-D97 PolarHBondContact O-N 2.53Å; D97-L99 PolarHBondContact O-N 3.34Å; D97-R106 IonicContact OD1-CZ 3.64Å; D97-R106 IonicContact OD1-NE 3.22Å; D97-R106 IonicContact OD1-NH1 2.8Å; D97-R106 PolarHBondContact OD1-NH1 3.29Å; D97-R110 IonicContact OD1-CZ 2.75Å; D97-R110 IonicContact OD1-NE 2.99Å; D97-R110 IonicContact OD1-NH2 3.7Å; D97-R110 PolarHBondContact OD1-NH2 2.98Å; D97-R110 IonicContact OD2-CZ 3.43Å; D97-R110 IonicContact OD2-NH2 3.05Å; D97-R110 PolarHBondContact OD2-NH2 2.05Å
98	R	85.9	Confident	83.1	Confident	120 Å²	120	76.7 Å²	76.7	45%	0.453	36%	0.359	S	S	.	.	H	α-helix	trans	-69.1	-17.2	169.7	-66.9	171	179.3	-171.6	-8.4	112	S76 L78 K94 L95	S76-R98 PolarHBondContact N-O 2.82Å; S76-R98 PolarHBondContact OG-O 2.91Å; L78-R98 HydrophobicContact CD1-CB 3.79Å; L78-R98 HydrophobicContact CD1-CG 4.06Å; L78-R98 HydrophobicContact CD2-CG 4.4Å; K94-R98 VanDerWaalsContact O-CG 3.24Å; K94-R98 WeakPolarHBondContact O-CG 3.08Å; K94-R98 PolarHBondContact O-N 3.02Å; L95-R98 PolarHBondContact O-N 2.9Å
99	L	84.6	Confident	84.9	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-88.6	122.7	167.7	-60.1	175.2	0	0	0	109.6	L75 L95 C96 D97 L101 L119 M120 I123	L75-L99 HydrophobicContact CB-CB 3.88Å; L75-L99 HydrophobicContact CB-CD2 3.58Å; L75-L99 HydrophobicContact CB-CG 4.34Å; L75-L99 HydrophobicContact CD1-CB 4Å; L75-L99 HydrophobicContact CD1-CD2 4Å; L75-L99 HydrophobicContact CD1-CG 4.4Å; L75-L99 VanDerWaalsContact CD2-C 3.43Å; L75-L99 HydrophobicContact CD2-CB 3.91Å; L75-L99 HydrophobicContact CG-CB 4.14Å; L75-L99 HydrophobicContact CG-CD2 4.32Å; L95-L99 PolarHBondContact O-N 2.04Å; C96-L99 WeakPolarHBondContact O-CB 3.45Å; C96-L99 PolarHBondContact O-N 3.17Å; D97-L99 PolarHBondContact O-N 3.34Å; L99-L101 HydrophobicContact CB-CD1 4.04Å; L99-L101 HydrophobicContact CB-CD2 4.35Å; L99-L101 HydrophobicContact CB-CG 3.77Å; L99-L101 HydrophobicContact CD1-CD1 4.24Å; L99-L101 PolarHBondContact O-N 3.29Å; L99-L119 HydrophobicContact CD1-CB 4.13Å; L99-L119 HydrophobicContact CD1-CD1 4.26Å; L99-M120 HydrophobicContact CD1-SD 4.42Å; L99-M120 HydrophobicContact CD2-SD 3.69Å; L99-M120 HydrophobicContact CG-SD 4.21Å; L99-I123 HydrophobicContact CD2-CD1 3.63Å
100	K	83	Confident	86.7	Confident	99 Å²	99	72 Å²	72	43%	0.43	31%	0.31	S	S	.	.			trans	-68.7	61.1	169.2	-56	-166.3	-161.5	155.7	0	115.6	Y66 P74 L75	Y66-K100 WeakPolarHBondContact OH-CE 3.12Å; Y66-K100 PolarHBondContact OH-NZ 3.16Å; P74-K100 VanDerWaalsContact C-CB 3.46Å; P74-K100 WeakPolarHBondContact O-CB 3.5Å; P74-K100 WeakPolarHBondContact O-CD 3.45Å; P74-K100 WeakPolarHBondContact O-CE 3.32Å; P74-K100 WeakPolarHBondContact O-CG 3.41Å; L75-K100 HydrophobicContact CD2-CB 3.86Å; L75-K100 WeakPolarHBondContact CD2-O 3.1Å
101	L	86.9	Confident	87.9	Confident	9 Å²	9	69.5 Å²	69.5	5%	0.047	30%	0.301	C	S	.	.			trans	-78.1	146.4	-176.3	-65.3	172.5	0	0	0	110.8	L75 L99 Q105 R106 C109 F219	L75-L101 HydrophobicContact CD1-CD2 3.38Å; L75-L101 HydrophobicContact CD1-CG 4.24Å; L75-L101 HydrophobicContact CD2-CB 4.38Å; L75-L101 HydrophobicContact CD2-CD2 3.63Å; L75-L101 HydrophobicContact CD2-CG 3.85Å; L75-L101 HydrophobicContact CG-CD2 4.2Å; L99-L101 HydrophobicContact CB-CD1 4.04Å; L99-L101 HydrophobicContact CB-CD2 4.35Å; L99-L101 HydrophobicContact CB-CG 3.77Å; L99-L101 HydrophobicContact CD1-CD1 4.24Å; L99-L101 PolarHBondContact O-N 3.29Å; L101-Q105 HydrophobicContact CB-CB 3.87Å; L101-Q105 HydrophobicContact CD2-CB 4.04Å; L101-Q105 HydrophobicContact CG-CB 4.41Å; L101-R106 HydrophobicContact CB-CB 3.95Å; L101-C109 HydrophobicContact CD1-CB 3.58Å; L101-F219 HydrophobicContact CD2-CE1 4.46Å; L101-F219 HydrophobicContact CD2-CE2 4.49Å; L101-F219 HydrophobicContact CD2-CZ 3.68Å
102	E	85.7	Confident	88.4	Confident	98 Å²	98	67.1 Å²	67.1	46%	0.458	28%	0.281	S	S	.	.			trans	-58.1	157.7	166.2	-69.2	-176.4	-176	0	0	110.8	T70 K104 Q105 R106	T70-E102 WeakPolarHBondContact CB-OE1 3.06Å; T70-E102 HydrophobicContact CG2-CG 4.41Å; T70-E102 WeakPolarHBondContact CG2-OE1 3.22Å; E102-K104 PolarHBondContact O-N 2.82Å; E102-K104 VanDerWaalsContact O-N 3.09Å; E102-Q105 HydrophobicContact CB-CB 4.37Å; E102-Q105 HydrophobicContact CB-CG 4.26Å; E102-Q105 VanDerWaalsContact N-OE1 3.07Å; E102-Q105 PolarHBondContact O-N 3.48Å; E102-R106 WeakPolarHBondContact O-CB 3.15Å; E102-R106 PolarHBondContact O-N 3.26Å
103	K	88.8	Confident	88.7	Confident	172 Å²	172	68.6 Å²	68.6	75%	0.748	29%	0.292	S	S	*	.	H	α-helix	trans	-54.4	-35.5	-178.8	-171.3	175.9	-178.3	177.7	0	113	R107	K103-R107 WeakPolarHBondContact O-CG 3.07Å; K103-R107 PolarHBondContact O-N 2.66Å; K103-R107 PolarHBondContact O-NE 3.06Å; K103-R107 VanDerWaalsContact O-NE 3.16Å
104	K	89.8	Confident	89	Confident	96 Å²	96	64.2 Å²	64.2	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-70.1	-50.1	174.9	-171.7	-169.4	179.3	-163.2	0	111.4	E102 R106 R107 M108 D218	E102-K104 PolarHBondContact O-N 2.82Å; E102-K104 VanDerWaalsContact O-N 3.09Å; K104-R106 VanDerWaalsContact C-N 3.34Å; K104-R106 PolarHBondContact O-N 3.03Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.17Å; K104-M108 HydrophobicContact CG-SD 4.48Å; K104-M108 WeakPolarHBondContact O-CG 3.41Å; K104-M108 PolarHBondContact O-N 3.06Å; K104-M108 VanDerWaalsContact O-N 3.07Å; K104-D218 PolarHBondContact NZ-O 3.22Å
105	Q	90.9	Very high	89.3	Confident	5 Å²	5	58.9 Å²	58.9	2%	0.023	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-41.5	-179.6	-70.6	171.5	-23.7	0	0	112.3	T70 L101 E102 R107 M108 C109 F219	T70-Q105 VanDerWaalsContact CG2-NE2 3.28Å; L101-Q105 HydrophobicContact CB-CB 3.87Å; L101-Q105 HydrophobicContact CD2-CB 4.04Å; L101-Q105 HydrophobicContact CG-CB 4.41Å; E102-Q105 HydrophobicContact CB-CB 4.37Å; E102-Q105 HydrophobicContact CB-CG 4.26Å; E102-Q105 VanDerWaalsContact N-OE1 3.07Å; E102-Q105 PolarHBondContact O-N 3.48Å; Q105-R107 VanDerWaalsContact C-N 3.33Å; Q105-R107 PolarHBondContact O-N 3.03Å; Q105-M108 WeakPolarHBondContact O-CB 3.37Å; Q105-M108 PolarHBondContact O-N 2.79Å; Q105-M108 VanDerWaalsContact O-N 3.11Å; Q105-C109 WeakPolarHBondContact O-CB 3.36Å; Q105-C109 PolarHBondContact O-N 3.25Å; Q105-F219 HydrophobicContact CB-CD2 4.23Å; Q105-F219 HydrophobicContact CB-CE2 3.72Å; Q105-F219 HydrophobicContact CB-CZ 3.92Å; Q105-F219 HydrophobicContact CG-CD1 4.36Å; Q105-F219 HydrophobicContact CG-CD2 4.14Å; Q105-F219 HydrophobicContact CG-CE1 4.22Å; Q105-F219 HydrophobicContact CG-CE2 4Å; Q105-F219 HydrophobicContact CG-CG 4.32Å; Q105-F219 HydrophobicContact CG-CZ 4.06Å; Q105-F219 WeakPolarHBondContact CG-O 3.4Å; Q105-F219 PolarHBondContact NE2-O 3.31Å
106	R	92.9	Very high	89.5	Confident	80 Å²	80	57 Å²	57	30%	0.302	24%	0.244	S	C	.	.	H	α-helix	trans	-61.4	-41.6	176.3	-167.2	179.8	-59.1	-140	5.7	111.9	D97 L101 E102 K104 M108 C109 R110	D97-R106 IonicContact OD1-CZ 3.64Å; D97-R106 IonicContact OD1-NE 3.22Å; D97-R106 IonicContact OD1-NH1 2.8Å; D97-R106 PolarHBondContact OD1-NH1 3.29Å; L101-R106 HydrophobicContact CB-CB 3.95Å; E102-R106 WeakPolarHBondContact O-CB 3.15Å; E102-R106 PolarHBondContact O-N 3.26Å; K104-R106 VanDerWaalsContact C-N 3.34Å; K104-R106 PolarHBondContact O-N 3.03Å; R106-M108 VanDerWaalsContact C-N 3.31Å; R106-M108 PolarHBondContact O-N 3.2Å; R106-C109 PolarHBondContact O-N 3.4Å; R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 3.13Å
107	R	91.9	Very high	89.6	Confident	158 Å²	158	62.1 Å²	62.1	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-63.1	-37.1	173.9	-75.3	-177.7	-69.8	169.8	-0.2	112.1	K103 K104 Q105 R111	K103-R107 WeakPolarHBondContact O-CG 3.07Å; K103-R107 PolarHBondContact O-N 2.66Å; K103-R107 PolarHBondContact O-NE 3.06Å; K103-R107 VanDerWaalsContact O-NE 3.16Å; K104-R107 WeakPolarHBondContact O-CB 3.43Å; K104-R107 PolarHBondContact O-N 3.17Å; Q105-R107 VanDerWaalsContact C-N 3.33Å; Q105-R107 PolarHBondContact O-N 3.03Å; R107-R111 PolarHBondContact O-N 2.83Å
108	M	93	Very high	90	Very high	13 Å²	13	59.1 Å²	59.1	6%	0.064	25%	0.252	C	S	.	.	H	α-helix	trans	-69.8	-42.4	175.4	-67.5	177.1	64.7	0	0	111.9	K104 Q105 R106 R110 R111 F215 D218 F219	K104-M108 HydrophobicContact CG-SD 4.48Å; K104-M108 WeakPolarHBondContact O-CG 3.41Å; K104-M108 PolarHBondContact O-N 3.06Å; K104-M108 VanDerWaalsContact O-N 3.07Å; Q105-M108 WeakPolarHBondContact O-CB 3.37Å; Q105-M108 PolarHBondContact O-N 2.79Å; Q105-M108 VanDerWaalsContact O-N 3.11Å; R106-M108 VanDerWaalsContact C-N 3.31Å; R106-M108 PolarHBondContact O-N 3.2Å; M108-R110 PolarHBondContact O-N 3.39Å; M108-R111 VanDerWaalsContact O-CB 3.32Å; M108-R111 WeakPolarHBondContact O-CB 3.34Å; M108-R111 PolarHBondContact O-N 3.21Å; M108-F215 HydrophobicContact CE-CD2 4.19Å; M108-F215 HydrophobicContact CE-CE2 4.01Å; M108-F215 HydrophobicContact CE-CZ 4.34Å; M108-D218 HydrophobicContact CE-CB 3.91Å; M108-F219 HydrophobicContact CB-CD2 4.11Å; M108-F219 HydrophobicContact CE-CB 3.82Å; M108-F219 HydrophobicContact CE-CD2 4.14Å; M108-F219 HydrophobicContact SD-CB 4.33Å; M108-F219 HydrophobicContact SD-CD2 4.19Å
109	C	92.7	Very high	90.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-44.7	177.1	-176.8	0	0	0	0	112	C96 L101 Q105 R106 R111 L119	C96-C109 VanDerWaalsContact CA-SG 3.52Å; C96-C109 HydrophobicContact CB-CB 3.88Å; C96-C109 WeakPolarHBondContact CB-SG 3.49Å; C96-C109 WeakPolarHBondContact SG-CB 2.96Å; C96-C109 PolarHBondContact SG-O 2.86Å; C96-C109 CovalentContact SG-SG 2.03Å; C96-C109 PolarHBondContact SG-SG 3.17Å; L101-C109 HydrophobicContact CD1-CB 3.58Å; Q105-C109 WeakPolarHBondContact O-CB 3.36Å; Q105-C109 PolarHBondContact O-N 3.25Å; R106-C109 PolarHBondContact O-N 3.4Å; C109-R111 PolarHBondContact O-N 3.38Å; C109-L119 HydrophobicContact CB-CD1 3.89Å; C109-L119 VanDerWaalsContact SG-CD1 3.54Å
110	R	92.4	Very high	90.7	Very high	85 Å²	85	55.2 Å²	55.2	32%	0.321	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.7	-179.1	-69.3	172.9	169.9	-166.3	-4.1	114.5	Y93 C96 D97 R106 M108	Y93-R110 HydrophobicContact CD1-CB 4Å; Y93-R110 VanDerWaalsContact CD1-CD 3.47Å; Y93-R110 HydrophobicContact CD1-CG 3.54Å; Y93-R110 HydrophobicContact CE1-CB 3.72Å; Y93-R110 HydrophobicContact CE1-CG 3.81Å; Y93-R110 HydrophobicContact CG-CG 4.37Å; C96-R110 HydrophobicContact CB-CG 3.93Å; D97-R110 IonicContact OD1-CZ 2.75Å; D97-R110 IonicContact OD1-NE 2.99Å; D97-R110 IonicContact OD1-NH2 3.7Å; D97-R110 PolarHBondContact OD1-NH2 2.98Å; D97-R110 IonicContact OD2-CZ 3.43Å; D97-R110 IonicContact OD2-NH2 3.05Å; D97-R110 PolarHBondContact OD2-NH2 2.05Å; R106-R110 WeakPolarHBondContact O-CB 3.22Å; R106-R110 WeakPolarHBondContact O-CG 3.34Å; R106-R110 PolarHBondContact O-N 3.13Å; M108-R110 PolarHBondContact O-N 3.39Å
111	R	90.3	Very high	91.1	Very high	141 Å²	141	53.6 Å²	53.6	53%	0.532	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-23.6	-175	-174.9	178.4	-73	157.9	-6.1	113	R107 M108 C109 R185	R107-R111 PolarHBondContact O-N 2.83Å; M108-R111 VanDerWaalsContact O-CB 3.32Å; M108-R111 WeakPolarHBondContact O-CB 3.34Å; M108-R111 PolarHBondContact O-N 3.21Å; C109-R111 PolarHBondContact O-N 3.38Å; R111-R185 PolarHBondContact O-NE 2.78Å
112	D	87.9	Confident	91.5	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.011	23%	0.233	C	C	.	.			trans	-152.1	124.2	-175.5	179.7	-24.9	0	0	0	107.6	G114 V115 E184	D112-G114 PolarHBondContact O-N 2.81Å; D112-G114 PolarHBondContact OD1-N 2.04Å; D112-V115 HydrophobicContact CB-CB 4.39Å; D112-V115 HydrophobicContact CB-CG2 3.77Å; D112-V115 WeakPolarHBondContact O-CB 3.04Å; D112-V115 PolarHBondContact O-N 2.95Å; D112-E184 PolarHBondContact OD2-N 3.05Å
113	P	88	Confident	91.7	Very high	47 Å²	47	49.4 Å²	49.4	31%	0.305	21%	0.214	S	C	.	.	H	α-helix	trans	-53.4	-37.7	177.9	-23.9	32.4	0	0	0	113.4	H92 V115 A116	H92-P113 HydrophobicContact CB-CB 3.94Å; P113-V115 PolarHBondContact O-N 3.04Å; P113-A116 PolarHBondContact O-N 3.41Å
114	G	91.9	Very high	92	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-28.1	179.4	0	0	0	0	0	113	D112 T118 R182	D112-G114 PolarHBondContact O-N 2.81Å; D112-G114 PolarHBondContact OD1-N 2.04Å; G114-T118 VanDerWaalsContact O-CB 3.23Å; G114-T118 WeakPolarHBondContact O-CB 3.3Å; G114-T118 PolarHBondContact O-N 3.3Å; G114-T118 PolarHBondContact O-OG1 3.24Å; G114-R182 WeakPolarHBondContact CA-O 3.45Å
115	V	93.9	Very high	92.2	Very high	3 Å²	3	41 Å²	41	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-41	176.4	173.4	0	0	0	0	110.9	D112 P113 E117 T118 L119 M174 M183 F215	D112-V115 HydrophobicContact CB-CB 4.39Å; D112-V115 HydrophobicContact CB-CG2 3.77Å; D112-V115 WeakPolarHBondContact O-CB 3.04Å; D112-V115 PolarHBondContact O-N 2.95Å; P113-V115 PolarHBondContact O-N 3.04Å; V115-E117 PolarHBondContact O-N 3.46Å; V115-T118 PolarHBondContact O-N 3.41Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.02Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 2.96Å; V115-M174 HydrophobicContact CG1-CE 4.2Å; V115-M183 HydrophobicContact CG2-SD 3.96Å; V115-F215 HydrophobicContact CG1-CE2 3.99Å; V115-F215 HydrophobicContact CG1-CZ 3.56Å; V115-F215 HydrophobicContact CG2-CE2 4.17Å; V115-F215 HydrophobicContact CG2-CZ 4.49Å
116	A	91.6	Very high	92.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-62.8	-45.6	-178.5	0	0	0	0	0	111.8	H92 L95 C96 P113 L119 M120	H92-A116 HydrophobicContact CB-CB 3.99Å; L95-A116 HydrophobicContact CB-CB 4.04Å; L95-A116 HydrophobicContact CD1-CB 4.41Å; C96-A116 VanDerWaalsContact SG-CB 3.56Å; P113-A116 PolarHBondContact O-N 3.41Å; A116-L119 PolarHBondContact O-N 3.42Å; A116-M120 PolarHBondContact O-N 2.85Å
117	E	91.6	Very high	92.4	Very high	107 Å²	107	37.2 Å²	37.2	50%	0.5	17%	0.173	S	C	.	.	H	α-helix	trans	-66.5	-44.1	177.2	-66.1	179.6	-173.3	0	0	111.6	L95 V115 L119 M120 E121	L95-E117 HydrophobicContact CD1-CG 4.03Å; V115-E117 PolarHBondContact O-N 3.46Å; E117-L119 VanDerWaalsContact C-N 3.28Å; E117-L119 PolarHBondContact O-N 3.08Å; E117-M120 WeakPolarHBondContact O-CB 2.99Å; E117-M120 PolarHBondContact O-N 2.95Å; E117-M120 VanDerWaalsContact O-N 3.1Å; E117-E121 PolarHBondContact O-N 3.31Å
118	T	95.4	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-33.8	179.1	-56.3	0	0	0	0	112	G114 V115 E121 A122 A173 M174 A177	G114-T118 VanDerWaalsContact O-CB 3.23Å; G114-T118 WeakPolarHBondContact O-CB 3.3Å; G114-T118 PolarHBondContact O-N 3.3Å; G114-T118 PolarHBondContact O-OG1 3.24Å; V115-T118 PolarHBondContact O-N 3.41Å; T118-E121 PolarHBondContact O-N 3.43Å; T118-A122 WeakPolarHBondContact O-CB 3.41Å; T118-A122 PolarHBondContact O-N 2.94Å; T118-A173 VanDerWaalsContact CG2-C 3.49Å; T118-A173 HydrophobicContact CG2-CB 3.8Å; T118-A173 WeakPolarHBondContact CG2-O 3.49Å; T118-M174 HydrophobicContact CG2-CE 3.71Å; T118-M174 HydrophobicContact CG2-CG 4.19Å; T118-M174 HydrophobicContact CG2-SD 3.65Å; T118-A177 HydrophobicContact CG2-CB 3.69Å; T118-A177 VanDerWaalsContact OG1-CB 3.3Å; T118-A177 WeakPolarHBondContact OG1-CB 3.23Å
119	L	94.2	Very high	92.8	Very high	6 Å²	6	35 Å²	35	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-44.2	172.4	-75.3	170	0	0	0	111.6	L99 C109 V115 A116 E117 E121 A122 I123 L170 M174 F219	L99-L119 HydrophobicContact CD1-CB 4.13Å; L99-L119 HydrophobicContact CD1-CD1 4.26Å; C109-L119 HydrophobicContact CB-CD1 3.89Å; C109-L119 VanDerWaalsContact SG-CD1 3.54Å; V115-L119 HydrophobicContact CG1-CD1 3.98Å; V115-L119 HydrophobicContact CG1-CG 4.27Å; V115-L119 WeakPolarHBondContact O-CB 3.02Å; V115-L119 WeakPolarHBondContact O-CG 3.3Å; V115-L119 PolarHBondContact O-N 2.96Å; A116-L119 PolarHBondContact O-N 3.42Å; E117-L119 VanDerWaalsContact C-N 3.28Å; E117-L119 PolarHBondContact O-N 3.08Å; L119-E121 VanDerWaalsContact C-N 3.34Å; L119-E121 PolarHBondContact O-N 2.83Å; L119-A122 PolarHBondContact O-N 2.92Å; L119-I123 WeakPolarHBondContact O-CB 3.03Å; L119-I123 WeakPolarHBondContact O-CG1 3.31Å; L119-I123 PolarHBondContact O-N 3.5Å; L119-L170 HydrophobicContact CD2-CD1 3.47Å; L119-L170 VanDerWaalsContact CD2-CD1 3.47Å; L119-M174 HydrophobicContact CD2-CE 3.75Å; L119-M174 HydrophobicContact CG-CE 3.78Å; L119-F219 HydrophobicContact CD1-CE2 4.21Å; L119-F219 HydrophobicContact CD1-CZ 4.07Å; L119-F219 HydrophobicContact CD2-CE1 4.13Å; L119-F219 HydrophobicContact CD2-CE2 4.38Å; L119-F219 HydrophobicContact CD2-CZ 3.82Å
120	M	90.9	Very high	93	Very high	33 Å²	33	35 Å²	35	16%	0.163	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-41.3	176.9	-67.2	-63.9	-62.4	0	0	111.9	L78 L99 A116 E117 I123 S124	L78-M120 HydrophobicContact CD1-CE 4.02Å; L99-M120 HydrophobicContact CD1-SD 4.42Å; L99-M120 HydrophobicContact CD2-SD 3.69Å; L99-M120 HydrophobicContact CG-SD 4.21Å; A116-M120 PolarHBondContact O-N 2.85Å; E117-M120 WeakPolarHBondContact O-CB 2.99Å; E117-M120 PolarHBondContact O-N 2.95Å; E117-M120 VanDerWaalsContact O-N 3.1Å; M120-I123 WeakPolarHBondContact O-CB 3.01Å; M120-I123 PolarHBondContact O-N 3.41Å; M120-S124 WeakPolarHBondContact O-CB 3.41Å; M120-S124 PolarHBondContact O-N 3.17Å
121	E	93	Very high	93.2	Very high	65 Å²	65	34.4 Å²	34.4	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-60.8	-49.8	175	-175.8	-175.3	171.3	0	0	111.4	E117 T118 L119 I123 S124 M125 R182	E117-E121 PolarHBondContact O-N 3.31Å; T118-E121 PolarHBondContact O-N 3.43Å; L119-E121 VanDerWaalsContact C-N 3.34Å; L119-E121 PolarHBondContact O-N 2.83Å; E121-I123 VanDerWaalsContact C-N 3.27Å; E121-I123 PolarHBondContact O-N 2.78Å; E121-S124 PolarHBondContact O-N 2.75Å; E121-M125 HydrophobicContact CG-CE 4.17Å; E121-M125 VanDerWaalsContact O-CB 3.23Å; E121-M125 WeakPolarHBondContact O-CB 3.32Å; E121-M125 PolarHBondContact O-N 2.95Å; E121-R182 IonicContact OE1-NH2 2.81Å; E121-R182 IonicContact OE2-CZ 2.74Å; E121-R182 VanDerWaalsContact OE2-CZ 3.22Å; E121-R182 IonicContact OE2-NH1 4Å; E121-R182 PolarHBondContact OE2-NH1 2.71Å; E121-R182 IonicContact OE2-NH2 3.15Å; E121-R182 PolarHBondContact OE2-NH2 3.49Å
122	A	95.5	Very high	93.5	Very high	4 Å²	4	32.6 Å²	32.6	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-43	178	0	0	0	0	0	112.3	T118 L119 S126 L170 A173	T118-A122 WeakPolarHBondContact O-CB 3.41Å; T118-A122 PolarHBondContact O-N 2.94Å; L119-A122 PolarHBondContact O-N 2.92Å; A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.17Å; A122-S126 PolarHBondContact O-N 2.73Å; A122-S126 PolarHBondContact O-OG 2.03Å; A122-L170 HydrophobicContact CB-CD1 4.15Å; A122-A173 HydrophobicContact CB-CB 3.74Å
123	I	89.8	Confident	93.9	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	17%	0.171	C	C	.	.	H	α-helix	trans	-61.9	-51.6	177.7	-76.4	177.5	0	0	0	110.3	F67 L75 I77 L99 L119 M120 E121 S126 A127	F67-I123 HydrophobicContact CB-CB 3.93Å; F67-I123 HydrophobicContact CB-CD1 4.17Å; F67-I123 HydrophobicContact CB-CG1 3.57Å; F67-I123 HydrophobicContact CB-CG2 3.65Å; F67-I123 HydrophobicContact CD2-CB 4.39Å; F67-I123 HydrophobicContact CD2-CG2 3.7Å; F67-I123 WeakPolarHBondContact CD2-O 3.4Å; F67-I123 VanDerWaalsContact CE2-O 3.23Å; F67-I123 WeakPolarHBondContact CE2-O 3.37Å; F67-I123 HydrophobicContact CG-CB 4.21Å; F67-I123 HydrophobicContact CG-CG1 4.28Å; F67-I123 HydrophobicContact CG-CG2 3.91Å; L75-I123 HydrophobicContact CD1-CD1 4.23Å; I77-I123 HydrophobicContact CD1-CG2 3.47Å; I77-I123 VanDerWaalsContact CD1-CG2 3.47Å; I77-I123 HydrophobicContact CG1-CG2 3.3Å; L99-I123 HydrophobicContact CD2-CD1 3.63Å; L119-I123 WeakPolarHBondContact O-CB 3.03Å; L119-I123 WeakPolarHBondContact O-CG1 3.31Å; L119-I123 PolarHBondContact O-N 3.5Å; M120-I123 WeakPolarHBondContact O-CB 3.01Å; M120-I123 PolarHBondContact O-N 3.41Å; E121-I123 VanDerWaalsContact C-N 3.27Å; E121-I123 PolarHBondContact O-N 2.78Å; I123-S126 PolarHBondContact O-N 3.45Å; I123-A127 WeakPolarHBondContact O-CB 3.28Å; I123-A127 PolarHBondContact O-N 3.25Å
124	S	93.3	Very high	94.2	Very high	52 Å²	52	31.6 Å²	31.6	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-63.6	-46.4	-179.6	-177.4	0	0	0	0	111.7	M120 E121 S126 A127 L128	M120-S124 WeakPolarHBondContact O-CB 3.41Å; M120-S124 PolarHBondContact O-N 3.17Å; E121-S124 PolarHBondContact O-N 2.75Å; S124-S126 PolarHBondContact O-N 3.42Å; S124-A127 WeakPolarHBondContact O-CA 3.24Å; S124-A127 WeakPolarHBondContact O-CB 3.48Å; S124-A127 PolarHBondContact O-N 2.83Å; S124-A127 VanDerWaalsContact O-N 3.08Å; S124-L128 WeakPolarHBondContact O-CG 3.21Å; S124-L128 PolarHBondContact O-N 3.33Å
125	M	95.2	Very high	94.2	Very high	39 Å²	39	36 Å²	36	19%	0.192	17%	0.172	C	C	.	.	H	α-helix	trans	-58.8	-46.2	179.1	-173.6	-171.5	-56.3	0	0	111.7	E121 A127 E129 F273	E121-M125 HydrophobicContact CG-CE 4.17Å; E121-M125 VanDerWaalsContact O-CB 3.23Å; E121-M125 WeakPolarHBondContact O-CB 3.32Å; E121-M125 PolarHBondContact O-N 2.95Å; M125-A127 VanDerWaalsContact C-N 3.29Å; M125-A127 PolarHBondContact O-N 3.16Å; M125-E129 WeakPolarHBondContact O-CB 3.48Å; M125-E129 PolarHBondContact O-N 3.29Å; M125-E129 VanDerWaalsContact O-N 3.09Å; M125-F273 HydrophobicContact CG-CB 4.29Å; M125-F273 HydrophobicContact CG-CD1 3.5Å; M125-F273 VanDerWaalsContact CG-CD1 3.5Å; M125-F273 HydrophobicContact CG-CE1 3.88Å; M125-F273 HydrophobicContact CG-CG 3.87Å; M125-F273 HydrophobicContact SD-CB 3.86Å; M125-F273 HydrophobicContact SD-CD1 3.87Å; M125-F273 HydrophobicContact SD-CD2 3.87Å; M125-F273 HydrophobicContact SD-CE1 4.35Å; M125-F273 HydrophobicContact SD-CE2 4.4Å; M125-F273 HydrophobicContact SD-CG 3.58Å; M125-F273 VanDerWaalsContact SD-CG 3.58Å
126	S	95.6	Very high	94.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-33.9	176.4	-55.2	0	0	0	0	112.2	A122 I123 S124 C130 V165	A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.17Å; A122-S126 PolarHBondContact O-N 2.73Å; A122-S126 PolarHBondContact O-OG 2.03Å; I123-S126 PolarHBondContact O-N 3.45Å; S124-S126 PolarHBondContact O-N 3.42Å; S126-C130 VanDerWaalsContact O-CB 3.28Å; S126-C130 WeakPolarHBondContact O-CB 3.02Å; S126-C130 PolarHBondContact O-N 3.02Å; S126-V165 PolarHBondContact OG-O 3.47Å
127	A	92.8	Very high	94.2	Very high	5 Å²	5	42.4 Å²	42.4	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-61.3	-55.9	177.8	0	0	0	0	0	111.4	F67 I123 S124 M125 E129 C130 Q131 L143	F67-A127 HydrophobicContact CD2-CB 4.06Å; F67-A127 HydrophobicContact CE2-CB 3.15Å; F67-A127 VanDerWaalsContact CE2-N 3.26Å; F67-A127 HydrophobicContact CZ-CB 3.82Å; I123-A127 WeakPolarHBondContact O-CB 3.28Å; I123-A127 PolarHBondContact O-N 3.25Å; S124-A127 WeakPolarHBondContact O-CA 3.24Å; S124-A127 WeakPolarHBondContact O-CB 3.48Å; S124-A127 PolarHBondContact O-N 2.83Å; S124-A127 VanDerWaalsContact O-N 3.08Å; M125-A127 VanDerWaalsContact C-N 3.29Å; M125-A127 PolarHBondContact O-N 3.16Å; A127-E129 VanDerWaalsContact C-N 3.3Å; A127-E129 PolarHBondContact O-N 3.07Å; A127-C130 PolarHBondContact O-N 3.39Å; A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 3.48Å; A127-L143 HydrophobicContact CB-CD1 4.19Å
128	L	95.6	Very high	94.3	Very high	106 Å²	106	42.6 Å²	42.6	56%	0.555	20%	0.197	S	C	*	.	H	α-helix	trans	-64.7	-41.7	-174.5	-66.9	171.9	0	0	0	109.7	S124 Q131 Y132	S124-L128 WeakPolarHBondContact O-CG 3.21Å; S124-L128 PolarHBondContact O-N 3.33Å; L128-Q131 PolarHBondContact O-N 3.37Å; L128-Y132 VanDerWaalsContact O-CB 3.23Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.44Å
129	E	97.9	Very high	94.3	Very high	18 Å²	18	42.9 Å²	42.9	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-66.7	-41	177.6	-169.9	56.9	-148.9	0	0	112.1	M125 A127 Y132 Q133 F273 H274	M125-E129 WeakPolarHBondContact O-CB 3.48Å; M125-E129 PolarHBondContact O-N 3.29Å; M125-E129 VanDerWaalsContact O-N 3.09Å; A127-E129 VanDerWaalsContact C-N 3.3Å; A127-E129 PolarHBondContact O-N 3.07Å; E129-Y132 PolarHBondContact O-N 2.97Å; E129-Q133 HydrophobicContact CG-CG 4.36Å; E129-Q133 WeakPolarHBondContact O-CB 3.2Å; E129-Q133 VanDerWaalsContact O-CG 3.3Å; E129-Q133 WeakPolarHBondContact O-CG 3.23Å; E129-Q133 PolarHBondContact O-N 3.49Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.09Å; E129-Q133 PolarHBondContact OE1-NE2 2.5Å; E129-F273 HydrophobicContact CB-CD1 3.78Å; E129-F273 HydrophobicContact CB-CE1 3.56Å; E129-F273 HydrophobicContact CG-CD1 3.92Å; E129-F273 HydrophobicContact CG-CE1 3.84Å; E129-H274 IonicContact OE1-CE1 3.67Å; E129-H274 IonicContact OE1-ND1 2.84Å; E129-H274 PolarHBondContact OE1-ND1 3.48Å; E129-H274 IonicContact OE2-ND1 3.37Å; E129-H274 PolarHBondContact OE2-ND1 3.04Å
130	C	97	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.9	-47.2	176.3	-173.7	0	0	0	0	112	S126 A127 Y132 Q133 F134 C141 F161 V165	S126-C130 VanDerWaalsContact O-CB 3.28Å; S126-C130 WeakPolarHBondContact O-CB 3.02Å; S126-C130 PolarHBondContact O-N 3.02Å; A127-C130 PolarHBondContact O-N 3.39Å; C130-Y132 VanDerWaalsContact C-N 3.27Å; C130-Y132 PolarHBondContact O-N 3.32Å; C130-Q133 PolarHBondContact O-N 3.42Å; C130-F134 WeakPolarHBondContact O-CB 3.06Å; C130-F134 WeakPolarHBondContact O-CD2 2.8Å; C130-F134 PolarHBondContact O-N 2.77Å; C130-F134 VanDerWaalsContact O-N 3.09Å; C130-C141 HydrophobicContact CB-CB 3.98Å; C130-C141 WeakPolarHBondContact CB-SG 2.81Å; C130-C141 WeakPolarHBondContact SG-CB 3.5Å; C130-C141 CovalentContact SG-SG 2.02Å; C130-C141 PolarHBondContact SG-SG 3.26Å; C130-F161 HydrophobicContact CB-CE1 4.05Å; C130-V165 HydrophobicContact CB-CG1 4.49Å
131	Q	95.3	Very high	94.3	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-39.1	175	-71.7	174.7	-12.3	0	0	111.7	A127 L128 R135 C141	A127-Q131 WeakPolarHBondContact O-CG 3.36Å; A127-Q131 PolarHBondContact O-N 3.48Å; L128-Q131 PolarHBondContact O-N 3.37Å; Q131-R135 WeakPolarHBondContact O-CA 2.86Å; Q131-R135 WeakPolarHBondContact O-CB 3.3Å; Q131-R135 PolarHBondContact O-N 3.46Å; Q131-C141 HydrophobicContact CG-CB 4.31Å
132	Y	96.1	Very high	93.9	Very high	103 Å²	103	41.7 Å²	41.7	40%	0.404	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-54.7	176	-174.5	-91.5	0	0	0	110.9	L128 E129 C130 F134 R135 H274	L128-Y132 VanDerWaalsContact O-CB 3.23Å; L128-Y132 WeakPolarHBondContact O-CB 3.39Å; L128-Y132 PolarHBondContact O-N 3.44Å; E129-Y132 PolarHBondContact O-N 2.97Å; C130-Y132 VanDerWaalsContact C-N 3.27Å; C130-Y132 PolarHBondContact O-N 3.32Å; Y132-F134 PolarHBondContact O-N 3.49Å; Y132-R135 VanDerWaalsContact CD1-NH1 3.31Å; Y132-R135 VanDerWaalsContact CZ-CZ 3.46Å; Y132-R135 WeakPolarHBondContact O-CB 3.27Å; Y132-R135 VanDerWaalsContact O-CD 3.27Å; Y132-R135 WeakPolarHBondContact O-CD 3.44Å; Y132-R135 WeakPolarHBondContact O-CG 3.17Å; Y132-R135 PolarHBondContact O-N 3.33Å; Y132-R135 PolarHBondContact O-NH1 2.79Å; Y132-R135 PolarHBondContact OH-NH2 3.35Å; Y132-H274 AromaticContact CD1-CE1 3.5Å; Y132-H274 AromaticContact CD1-ND1 3.81Å; Y132-H274 AromaticContact CE1-CE1 3.06Å; Y132-H274 WeakPolarHBondContact CE1-CE1 3.44Å; Y132-H274 AromaticContact CE1-ND1 3.73Å; Y132-H274 AromaticContact CE1-NE2 3.74Å; Y132-H274 AromaticContact CZ-CE1 3.96Å
133	Q	96.9	Very high	93	Very high	25 Å²	25	41.6 Å²	41.6	12%	0.117	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-30.1	-177.6	-68.8	-62.4	-23.8	0	0	112.9	E129 C130 F161 H274 K278 K281	E129-Q133 HydrophobicContact CG-CG 4.36Å; E129-Q133 WeakPolarHBondContact O-CB 3.2Å; E129-Q133 VanDerWaalsContact O-CG 3.3Å; E129-Q133 WeakPolarHBondContact O-CG 3.23Å; E129-Q133 PolarHBondContact O-N 3.49Å; E129-Q133 WeakPolarHBondContact OE1-CG 3.09Å; E129-Q133 PolarHBondContact OE1-NE2 2.5Å; C130-Q133 PolarHBondContact O-N 3.42Å; Q133-F161 HydrophobicContact CB-CZ 4.3Å; Q133-F161 HydrophobicContact CG-CZ 4.34Å; Q133-H274 PolarHBondContact NE2-CE1 3.32Å; Q133-K278 VanDerWaalsContact NE2-N 3.19Å; Q133-K281 HydrophobicContact CB-CB 4.46Å; Q133-K281 HydrophobicContact CG-CB 4.4Å
134	F	95.3	Very high	92.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.009	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	8.4	-177.7	-74	-92.5	0	0	0	114.3	C130 Y132 F136 E137 W139 N140 C141 F161 K281 Y284	C130-F134 WeakPolarHBondContact O-CB 3.06Å; C130-F134 WeakPolarHBondContact O-CD2 2.8Å; C130-F134 PolarHBondContact O-N 2.77Å; C130-F134 VanDerWaalsContact O-N 3.09Å; Y132-F134 PolarHBondContact O-N 3.49Å; F134-F136 PolarHBondContact O-N 3.3Å; F134-E137 HydrophobicContact CB-CB 4.49Å; F134-E137 HydrophobicContact CB-CG 4.49Å; F134-E137 HydrophobicContact CD1-CB 4.14Å; F134-E137 HydrophobicContact CD1-CG 3.93Å; F134-E137 WeakPolarHBondContact O-CB 3.4Å; F134-E137 PolarHBondContact O-N 2.92Å; F134-W139 HydrophobicContact CB-CE3 4.33Å; F134-W139 HydrophobicContact CB-CZ3 4.46Å; F134-W139 WeakPolarHBondContact CB-O 3.4Å; F134-W139 AromaticContact CD1-CE3 3.39Å; F134-W139 HydrophobicContact CD1-CE3 3.39Å; F134-W139 AromaticContact CD1-CZ3 3.65Å; F134-W139 HydrophobicContact CD1-CZ3 3.65Å; F134-W139 HydrophobicContact CD2-CE3 4.38Å; F134-W139 AromaticContact CD2-CZ3 3.84Å; F134-W139 HydrophobicContact CD2-CZ3 3.84Å; F134-W139 AromaticContact CE1-CE3 3.65Å; F134-W139 HydrophobicContact CE1-CE3 3.65Å; F134-W139 AromaticContact CE1-CZ3 3.69Å; F134-W139 HydrophobicContact CE1-CZ3 3.69Å; F134-W139 AromaticContact CE2-CZ3 3.91Å; F134-W139 HydrophobicContact CE2-CZ3 3.91Å; F134-W139 AromaticContact CG-CE3 3.78Å; F134-W139 HydrophobicContact CG-CE3 3.78Å; F134-W139 AromaticContact CG-CZ3 3.7Å; F134-W139 HydrophobicContact CG-CZ3 3.7Å; F134-W139 HydrophobicContact CZ-CE3 4.28Å; F134-W139 AromaticContact CZ-CZ3 3.83Å; F134-W139 HydrophobicContact CZ-CZ3 3.83Å; F134-N140 WeakPolarHBondContact O-CA 3.19Å; F134-C141 HydrophobicContact CB-CB 4.21Å; F134-F161 HydrophobicContact CD2-CD1 4.4Å; F134-F161 HydrophobicContact CD2-CE1 4.16Å; F134-F161 AromaticContact CE2-CD1 3.53Å; F134-F161 HydrophobicContact CE2-CD1 3.53Å; F134-F161 HydrophobicContact CE2-CD2 4.1Å; F134-F161 AromaticContact CE2-CE1 3.55Å; F134-F161 HydrophobicContact CE2-CE1 3.55Å; F134-F161 HydrophobicContact CE2-CE2 4.09Å; F134-F161 AromaticContact CE2-CG 3.81Å; F134-F161 HydrophobicContact CE2-CG 3.81Å; F134-F161 AromaticContact CE2-CZ 3.83Å; F134-F161 HydrophobicContact CE2-CZ 3.83Å; F134-F161 HydrophobicContact CZ-CB 4.49Å; F134-F161 HydrophobicContact CZ-CD1 4.21Å; F134-F161 HydrophobicContact CZ-CD2 4.41Å; F134-F161 HydrophobicContact CZ-CG 4.11Å; F134-K281 HydrophobicContact CE2-CD 4.2Å; F134-K281 HydrophobicContact CZ-CD 4.08Å; F134-Y284 HydrophobicContact CE1-CD1 4.31Å; F134-Y284 AromaticContact CE1-CE1 3.71Å; F134-Y284 HydrophobicContact CE1-CE1 3.71Å; F134-Y284 HydrophobicContact CE1-CE2 4.07Å; F134-Y284 AromaticContact CE1-CZ 3.56Å; F134-Y284 AromaticContact CZ-CD1 3.97Å; F134-Y284 HydrophobicContact CZ-CD1 3.97Å; F134-Y284 HydrophobicContact CZ-CD2 4.05Å; F134-Y284 AromaticContact CZ-CE1 3.81Å; F134-Y284 HydrophobicContact CZ-CE1 3.81Å; F134-Y284 AromaticContact CZ-CE2 3.81Å; F134-Y284 HydrophobicContact CZ-CE2 3.81Å; F134-Y284 HydrophobicContact CZ-CG 4.09Å; F134-Y284 AromaticContact CZ-CZ 3.72Å
135	R	92.1	Very high	91.6	Very high	98 Å²	98	46.9 Å²	46.9	37%	0.37	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.5	-174.1	69.2	-165.5	178.8	-80.9	7.1	114.7	Q131 Y132	Q131-R135 WeakPolarHBondContact O-CA 2.86Å; Q131-R135 WeakPolarHBondContact O-CB 3.3Å; Q131-R135 PolarHBondContact O-N 3.46Å; Y132-R135 VanDerWaalsContact CD1-NH1 3.31Å; Y132-R135 VanDerWaalsContact CZ-CZ 3.46Å; Y132-R135 WeakPolarHBondContact O-CB 3.27Å; Y132-R135 VanDerWaalsContact O-CD 3.27Å; Y132-R135 WeakPolarHBondContact O-CD 3.44Å; Y132-R135 WeakPolarHBondContact O-CG 3.17Å; Y132-R135 PolarHBondContact O-N 3.33Å; Y132-R135 PolarHBondContact O-NH1 2.79Å; Y132-R135 PolarHBondContact OH-NH2 3.35Å
136	F	91.1	Very high	91.2	Very high	65 Å²	65	52.9 Å²	52.9	29%	0.285	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	6.8	-178.5	-57.7	-51.2	0	0	0	114.3	F134 Y352 N356 I360	F134-F136 PolarHBondContact O-N 3.3Å; F136-Y352 AromaticContact CD1-CD2 3.89Å; F136-Y352 HydrophobicContact CD1-CD2 3.89Å; F136-Y352 HydrophobicContact CD1-CE2 4Å; F136-Y352 AromaticContact CE1-CD2 3.54Å; F136-Y352 HydrophobicContact CE1-CD2 3.54Å; F136-Y352 AromaticContact CE1-CE2 3.4Å; F136-Y352 HydrophobicContact CE1-CE2 3.4Å; F136-Y352 VanDerWaalsContact CE1-CE2 3.4Å; F136-Y352 HydrophobicContact CE1-CG 4.48Å; F136-Y352 HydrophobicContact CZ-CE2 4.48Å; F136-N356 VanDerWaalsContact CA-ND2 3.3Å; F136-N356 WeakPolarHBondContact CA-ND2 3.5Å; F136-N356 HydrophobicContact CB-CB 4.19Å; F136-N356 WeakPolarHBondContact CB-ND2 3.12Å; F136-N356 PolarHBondContact O-ND2 3.47Å; F136-N356 VanDerWaalsContact O-ND2 3.08Å; F136-I360 WeakPolarHBondContact O-CG2 3.45Å
137	E	93.2	Very high	90.9	Very high	74 Å²	74	54.8 Å²	54.8	35%	0.346	26%	0.259	S	S	.	.	S	Bend	trans	-100.3	164.4	-174.9	-62.6	-75.1	-166.5	0	0	111.8	F134 W139 K281 R349	F134-E137 HydrophobicContact CB-CB 4.49Å; F134-E137 HydrophobicContact CB-CG 4.49Å; F134-E137 HydrophobicContact CD1-CB 4.14Å; F134-E137 HydrophobicContact CD1-CG 3.93Å; F134-E137 WeakPolarHBondContact O-CB 3.4Å; F134-E137 PolarHBondContact O-N 2.92Å; E137-W139 VanDerWaalsContact C-N 3.32Å; E137-W139 WeakPolarHBondContact CB-O 3.37Å; E137-W139 PolarHBondContact O-N 3.29Å; E137-K281 IonicContact OE1-NZ 3.51Å; E137-K281 PolarHBondContact OE1-NZ 2.03Å; E137-R349 VanDerWaalsContact O-CZ 3.25Å; E137-R349 PolarHBondContact O-NH1 3.32Å; E137-R349 PolarHBondContact O-NH2 3.41Å
138	R	94.9	Very high	90.5	Very high	111 Å²	111	54.8 Å²	54.8	42%	0.419	26%	0.258	S	S	.	.	S	Bend	trans	-64.2	-37.3	175.2	-63.4	173.5	-175.2	156	3.1	112.3	F336 T346 R349 A359	R138-F336 HydrophobicContact CB-CB 3.88Å; R138-T346 HydrophobicContact CB-CG2 4.11Å; R138-T346 HydrophobicContact CG-CG2 4.41Å; R138-R349 VanDerWaalsContact C-NH1 3.32Å; R138-R349 PolarHBondContact O-NH1 2.91Å; R138-A359 PolarHBondContact NE-O 2.92Å; R138-A359 PolarHBondContact NH2-O 2.86Å
139	W	94.5	Very high	90.1	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.023	24%	0.244	C	C	.	.	S	Bend	trans	-97.2	116.4	164.7	178.7	78.4	0	0	0	108.7	F134 E137 C141 I151 E158 L162 F336	F134-W139 HydrophobicContact CB-CE3 4.33Å; F134-W139 HydrophobicContact CB-CZ3 4.46Å; F134-W139 WeakPolarHBondContact CB-O 3.4Å; F134-W139 AromaticContact CD1-CE3 3.39Å; F134-W139 HydrophobicContact CD1-CE3 3.39Å; F134-W139 AromaticContact CD1-CZ3 3.65Å; F134-W139 HydrophobicContact CD1-CZ3 3.65Å; F134-W139 HydrophobicContact CD2-CE3 4.38Å; F134-W139 AromaticContact CD2-CZ3 3.84Å; F134-W139 HydrophobicContact CD2-CZ3 3.84Å; F134-W139 AromaticContact CE1-CE3 3.65Å; F134-W139 HydrophobicContact CE1-CE3 3.65Å; F134-W139 AromaticContact CE1-CZ3 3.69Å; F134-W139 HydrophobicContact CE1-CZ3 3.69Å; F134-W139 AromaticContact CE2-CZ3 3.91Å; F134-W139 HydrophobicContact CE2-CZ3 3.91Å; F134-W139 AromaticContact CG-CE3 3.78Å; F134-W139 HydrophobicContact CG-CE3 3.78Å; F134-W139 AromaticContact CG-CZ3 3.7Å; F134-W139 HydrophobicContact CG-CZ3 3.7Å; F134-W139 HydrophobicContact CZ-CE3 4.28Å; F134-W139 AromaticContact CZ-CZ3 3.83Å; F134-W139 HydrophobicContact CZ-CZ3 3.83Å; E137-W139 VanDerWaalsContact C-N 3.32Å; E137-W139 WeakPolarHBondContact CB-O 3.37Å; E137-W139 PolarHBondContact O-N 3.29Å; W139-C141 HydrophobicContact CE3-CB 4.47Å; W139-C141 HydrophobicContact CH2-CB 3.77Å; W139-C141 HydrophobicContact CZ2-CB 4.11Å; W139-C141 HydrophobicContact CZ3-CB 3.97Å; W139-I151 HydrophobicContact CZ2-CD1 4.46Å; W139-E158 HydrophobicContact CB-CG 4.46Å; W139-E158 HydrophobicContact CD2-CB 4.11Å; W139-E158 HydrophobicContact CD2-CG 3.55Å; W139-E158 HydrophobicContact CE3-CB 4.02Å; W139-E158 HydrophobicContact CE3-CG 3.45Å; W139-E158 VanDerWaalsContact CE3-CG 3.45Å; W139-E158 HydrophobicContact CG-CG 4.03Å; W139-E158 HydrophobicContact CH2-CB 3.92Å; W139-E158 HydrophobicContact CH2-CG 4.3Å; W139-E158 HydrophobicContact CZ2-CB 4.01Å; W139-E158 HydrophobicContact CZ2-CG 4.38Å; W139-E158 HydrophobicContact CZ3-CB 3.93Å; W139-E158 HydrophobicContact CZ3-CG 3.85Å; W139-L162 HydrophobicContact CH2-CD1 4.34Å; W139-L162 HydrophobicContact CH2-CD2 4.06Å; W139-L162 HydrophobicContact CH2-CG 4.09Å; W139-L162 HydrophobicContact CZ2-CD1 4.18Å; W139-L162 HydrophobicContact CZ2-CD2 4.47Å; W139-L162 HydrophobicContact CZ2-CG 4.44Å; W139-F336 HydrophobicContact CB-CB 4.5Å; W139-F336 HydrophobicContact CB-CD1 4.08Å; W139-F336 HydrophobicContact CB-CD2 3.66Å; W139-F336 HydrophobicContact CB-CE1 4.14Å; W139-F336 HydrophobicContact CB-CE2 3.75Å; W139-F336 HydrophobicContact CB-CG 3.82Å; W139-F336 HydrophobicContact CB-CZ 3.98Å; W139-F336 AromaticContact CD1-CE1 3.83Å; W139-F336 HydrophobicContact CG-CD1 4.46Å; W139-F336 HydrophobicContact CG-CE1 4.19Å; W139-F336 HydrophobicContact CG-CE2 4.4Å; W139-F336 HydrophobicContact CG-CZ 4.16Å
140	N	92.6	Very high	89.8	Confident	57 Å²	57	52.3 Å²	52.3	31%	0.305	25%	0.25	S	S	.	.			trans	-100.3	25	-173.6	68.2	-23.4	0	0	0	113.7	F134 S142	F134-N140 WeakPolarHBondContact O-CA 3.19Å; N140-S142 PolarHBondContact OD1-N 3.35Å
141	C	93.3	Very high	89.5	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.25	C	S	.	.			trans	54.5	51.4	-169.8	-161.8	0	0	0	0	112.8	C130 Q131 F134 W139 L143	C130-C141 HydrophobicContact CB-CB 3.98Å; C130-C141 WeakPolarHBondContact CB-SG 2.81Å; C130-C141 WeakPolarHBondContact SG-CB 3.5Å; C130-C141 CovalentContact SG-SG 2.02Å; C130-C141 PolarHBondContact SG-SG 3.26Å; Q131-C141 HydrophobicContact CG-CB 4.31Å; F134-C141 HydrophobicContact CB-CB 4.21Å; W139-C141 HydrophobicContact CE3-CB 4.47Å; W139-C141 HydrophobicContact CH2-CB 3.77Å; W139-C141 HydrophobicContact CZ2-CB 4.11Å; W139-C141 HydrophobicContact CZ3-CB 3.97Å; C141-L143 WeakPolarHBondContact O-CG 3.49Å; C141-L143 PolarHBondContact O-N 3.21Å; C141-L143 WeakPolarHBondContact SG-CD2 3.47Å
142	S	84.7	Confident	89.2	Confident	22 Å²	22	50.3 Å²	50.3	15%	0.154	24%	0.242	C	C	.	.			trans	-69.1	99.2	172.1	59.5	0	0	0	0	110	N140 E144	N140-S142 PolarHBondContact OD1-N 3.35Å; S142-E144 VanDerWaalsContact C-N 3.3Å; S142-E144 PolarHBondContact O-N 2.82Å
143	L	76.6	Confident	88.9	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.005	25%	0.25	C	S	.	.			trans	-90.3	12.4	-173.3	-62.5	-173.5	0	0	0	114.5	F67 A127 C141 R148 L162	F67-L143 HydrophobicContact CD2-CD1 4.2Å; F67-L143 HydrophobicContact CE2-CD1 3.19Å; F67-L143 HydrophobicContact CZ-CD1 3.38Å; A127-L143 HydrophobicContact CB-CD1 4.19Å; C141-L143 WeakPolarHBondContact O-CG 3.49Å; C141-L143 PolarHBondContact O-N 3.21Å; C141-L143 WeakPolarHBondContact SG-CD2 3.47Å; L143-R148 HydrophobicContact CD2-CG 4.35Å; L143-R148 VanDerWaalsContact CD2-NH1 3.3Å; L143-R148 VanDerWaalsContact O-CD 3.28Å; L143-R148 WeakPolarHBondContact O-CD 3.37Å; L143-L162 HydrophobicContact CD2-CD2 3.81Å
144	E	72.7	Confident	88.7	Confident	114 Å²	114	55.4 Å²	55.4	53%	0.533	26%	0.263	S	S	.	.	S	Bend	trans	-95.2	138.8	-172.1	-67.3	175.2	-170.6	0	0	112.6	S142	S142-E144 VanDerWaalsContact C-N 3.3Å; S142-E144 PolarHBondContact O-N 2.82Å
145	G	80.4	Confident	88.5	Confident	64 Å²	64	55.3 Å²	55.3	66%	0.66	26%	0.262	S	S	*	.	H	α-helix	trans	53.7	-136.5	166.8	0	0	0	0	0	115.4	Y147	G145-Y147 VanDerWaalsContact C-N 3.34Å; G145-Y147 PolarHBondContact O-N 3.39Å
146	R	86.4	Confident	88.7	Confident	164 Å²	164	51 Å²	51	62%	0.619	25%	0.246	S	C	*	.	H	α-helix	trans	-64.3	-32.4	-173.1	65.5	-177.8	179.1	-108.3	-3.5	114	A149 N150	R146-A149 PolarHBondContact O-N 3.42Å; R146-N150 WeakPolarHBondContact O-CB 3.35Å; R146-N150 PolarHBondContact O-N 3.27Å; R146-N150 PolarHBondContact O-ND2 3.46Å
147	Y	89	Confident	88.9	Confident	42 Å²	42	49.6 Å²	49.6	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-47.5	-174.4	-61.8	-58.4	0	0	0	111	G145 A149 N150 I151 S340 P344	G145-Y147 VanDerWaalsContact C-N 3.34Å; G145-Y147 PolarHBondContact O-N 3.39Å; Y147-A149 PolarHBondContact O-N 2.97Å; Y147-N150 PolarHBondContact O-N 3.46Å; Y147-I151 PolarHBondContact O-N 3.2Å; Y147-S340 VanDerWaalsContact CE1-O 3.22Å; Y147-S340 WeakPolarHBondContact CE1-O 3.48Å; Y147-P344 HydrophobicContact CE2-CB 4.17Å
148	R	85	Confident	89.1	Confident	6 Å²	6	46.5 Å²	46.5	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-48.4	174.3	-176.4	-173.7	163.7	92.1	16.5	111.4	Y66 G68 L143 N150 I151 L152	Y66-R148 WeakPolarHBondContact O-CD 3.32Å; Y66-R148 PolarHBondContact O-NE 3.17Å; Y66-R148 VanDerWaalsContact O-NE 3.16Å; Y66-R148 PolarHBondContact O-NH1 3.01Å; G68-R148 VanDerWaalsContact N-NH2 3.13Å; G68-R148 PolarHBondContact O-NH2 3.02Å; L143-R148 HydrophobicContact CD2-CG 4.35Å; L143-R148 VanDerWaalsContact CD2-NH1 3.3Å; L143-R148 VanDerWaalsContact O-CD 3.28Å; L143-R148 WeakPolarHBondContact O-CD 3.37Å; R148-N150 VanDerWaalsContact C-N 3.27Å; R148-N150 PolarHBondContact O-N 3.08Å; R148-I151 PolarHBondContact O-N 3.27Å; R148-L152 HydrophobicContact CG-CD1 3.99Å; R148-L152 HydrophobicContact CG-CG 4.36Å; R148-L152 WeakPolarHBondContact O-CG 3.32Å; R148-L152 PolarHBondContact O-N 2.7Å
149	A	87.2	Confident	89.1	Confident	33 Å²	33	41.2 Å²	41.2	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-59.2	-40.4	-179.6	0	0	0	0	0	112	R146 Y147 K153	R146-A149 PolarHBondContact O-N 3.42Å; Y147-A149 PolarHBondContact O-N 2.97Å; A149-K153 VanDerWaalsContact O-CG 3.3Å; A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 3.03Å
150	N	90.8	Very high	89.2	Confident	38 Å²	38	41 Å²	41	20%	0.203	21%	0.205	C	C	.	.	H	α-helix	trans	-71	-39.3	178.9	-69.4	-24.4	0	0	0	112.7	R146 Y147 R148 K153 K341 Y342	R146-N150 WeakPolarHBondContact O-CB 3.35Å; R146-N150 PolarHBondContact O-N 3.27Å; R146-N150 PolarHBondContact O-ND2 3.46Å; Y147-N150 PolarHBondContact O-N 3.46Å; R148-N150 VanDerWaalsContact C-N 3.27Å; R148-N150 PolarHBondContact O-N 3.08Å; N150-K153 PolarHBondContact O-N 3.41Å; N150-K341 WeakPolarHBondContact CB-O 3.32Å; N150-K341 PolarHBondContact ND2-O 3.22Å; N150-Y342 HydrophobicContact CB-CD1 3.73Å; N150-Y342 HydrophobicContact CB-CE1 3.94Å; N150-Y342 WeakPolarHBondContact O-CE1 3.41Å
151	I	91.3	Very high	89.5	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-48.4	174.6	-77.8	-180	0	0	0	110.7	W139 Y147 R148 K153 R154 T159 L162 F336 Y342	W139-I151 HydrophobicContact CZ2-CD1 4.46Å; Y147-I151 PolarHBondContact O-N 3.2Å; R148-I151 PolarHBondContact O-N 3.27Å; I151-K153 PolarHBondContact O-N 3.03Å; I151-R154 PolarHBondContact O-N 3.09Å; I151-R154 VanDerWaalsContact O-O 3.06Å; I151-T159 WeakPolarHBondContact CG2-OG1 3.45Å; I151-T159 PolarHBondContact O-OG1 2.94Å; I151-L162 HydrophobicContact CG2-CD1 4.14Å; I151-F336 HydrophobicContact CD1-CE1 4.38Å; I151-Y342 WeakPolarHBondContact CD1-O 3.43Å; I151-Y342 HydrophobicContact CG1-CD1 4.15Å; I151-Y342 HydrophobicContact CG1-CG 4.47Å
152	L	90	Very high	89.6	Confident	31 Å²	31	38.3 Å²	38.3	16%	0.162	19%	0.191	C	C	.	.	H	α-helix	trans	-63	-26.8	-177.1	-69.7	176.1	0	0	0	113.7	R148 R154 T159 L162	R148-L152 HydrophobicContact CG-CD1 3.99Å; R148-L152 HydrophobicContact CG-CG 4.36Å; R148-L152 WeakPolarHBondContact O-CG 3.32Å; R148-L152 PolarHBondContact O-N 2.7Å; L152-R154 PolarHBondContact O-N 3.42Å; L152-T159 HydrophobicContact CD2-CG2 4.15Å; L152-L162 HydrophobicContact CD2-CB 4.27Å; L152-L162 HydrophobicContact CD2-CD1 3.8Å
153	K	89.9	Confident	90.1	Very high	133 Å²	133	37.8 Å²	37.8	58%	0.578	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-14.8	174.3	-75.2	173.6	-178.6	-175.4	0	113.2	A149 N150 I151	A149-K153 VanDerWaalsContact O-CG 3.3Å; A149-K153 WeakPolarHBondContact O-CG 3.46Å; A149-K153 PolarHBondContact O-N 3.03Å; N150-K153 PolarHBondContact O-N 3.41Å; I151-K153 PolarHBondContact O-N 3.03Å
154	R	91.2	Very high	91.1	Very high	101 Å²	101	37.7 Å²	37.7	38%	0.381	19%	0.185	S	C	.	.	S	Bend	trans	-115.5	154	-176	-56.8	-58.2	-69.3	-156.5	-3.4	111.2	I151 L152 F156 T159 R229 E331 Y342	I151-R154 PolarHBondContact O-N 3.09Å; I151-R154 VanDerWaalsContact O-O 3.06Å; L152-R154 PolarHBondContact O-N 3.42Å; R154-F156 VanDerWaalsContact C-N 3.28Å; R154-F156 HydrophobicContact CB-CD1 4.23Å; R154-F156 HydrophobicContact CB-CD2 3.73Å; R154-F156 HydrophobicContact CB-CE1 3.91Å; R154-F156 HydrophobicContact CB-CE2 3.4Å; R154-F156 HydrophobicContact CB-CG 4.13Å; R154-F156 HydrophobicContact CB-CZ 3.48Å; R154-F156 VanDerWaalsContact CB-CZ 3.48Å; R154-F156 HydrophobicContact CG-CE1 4.47Å; R154-F156 HydrophobicContact CG-CE2 3.75Å; R154-F156 HydrophobicContact CG-CZ 3.7Å; R154-F156 PolarHBondContact O-N 2.96Å; R154-T159 WeakPolarHBondContact O-CB 3.45Å; R154-T159 WeakPolarHBondContact O-CG2 3.46Å; R154-T159 PolarHBondContact O-OG1 3.22Å; R154-R229 PolarHBondContact O-NH2 3.38Å; R154-E331 WeakPolarHBondContact CA-OE1 3.5Å; R154-E331 IonicContact CZ-OE1 2.79Å; R154-E331 IonicContact CZ-OE2 2.62Å; R154-E331 VanDerWaalsContact NE-CD 3.29Å; R154-E331 IonicContact NE-OE1 2.69Å; R154-E331 PolarHBondContact NE-OE1 2.02Å; R154-E331 IonicContact NE-OE2 2.92Å; R154-E331 PolarHBondContact NE-OE2 2.79Å; R154-E331 IonicContact NH2-OE1 3.8Å; R154-E331 IonicContact NH2-OE2 2.9Å; R154-E331 PolarHBondContact NH2-OE2 3.09Å; R154-Y342 HydrophobicContact CG-CE1 3.81Å
155	G	91.9	Very high	92.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.			trans	-87.4	45.1	-179.2	0	0	0	0	0	114.5	R229 H329 I330 E331	G155-R229 VanDerWaalsContact CA-CZ 3.49Å; G155-H329 WeakPolarHBondContact O-CB 3.46Å; G155-I330 PolarHBondContact O-N 3.14Å; G155-E331 PolarHBondContact N-OE1 3.06Å; G155-E331 PolarHBondContact O-N 3.4Å
156	F	95.5	Very high	93.1	Very high	7 Å²	7	29.6 Å²	29.6	3%	0.031	13%	0.131	C	C	.	.			trans	-77.7	165.5	-179.1	-55.7	-42.9	0	0	0	113.3	R154 E158 T159 A160 E331 D332 P334 Y342	R154-F156 VanDerWaalsContact C-N 3.28Å; R154-F156 HydrophobicContact CB-CD1 4.23Å; R154-F156 HydrophobicContact CB-CD2 3.73Å; R154-F156 HydrophobicContact CB-CE1 3.91Å; R154-F156 HydrophobicContact CB-CE2 3.4Å; R154-F156 HydrophobicContact CB-CG 4.13Å; R154-F156 HydrophobicContact CB-CZ 3.48Å; R154-F156 VanDerWaalsContact CB-CZ 3.48Å; R154-F156 HydrophobicContact CG-CE1 4.47Å; R154-F156 HydrophobicContact CG-CE2 3.75Å; R154-F156 HydrophobicContact CG-CZ 3.7Å; R154-F156 PolarHBondContact O-N 2.96Å; F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 WeakPolarHBondContact CB-OE2 3.45Å; F156-E158 PolarHBondContact O-N 3.11Å; F156-T159 WeakPolarHBondContact O-CB 3.44Å; F156-T159 PolarHBondContact O-N 3.26Å; F156-T159 VanDerWaalsContact O-N 3.11Å; F156-A160 PolarHBondContact O-N 3.26Å; F156-A160 VanDerWaalsContact O-N 3.08Å; F156-E331 HydrophobicContact CD1-CB 3.67Å; F156-E331 HydrophobicContact CE1-CB 3.77Å; F156-E331 WeakPolarHBondContact CE1-OE2 3.16Å; F156-D332 VanDerWaalsContact CD1-O 3.28Å; F156-D332 WeakPolarHBondContact CD1-O 3.23Å; F156-D332 VanDerWaalsContact CE1-O 3.3Å; F156-D332 WeakPolarHBondContact CE1-O 3.36Å; F156-P334 HydrophobicContact CD2-CG 4.47Å; F156-P334 HydrophobicContact CE2-CG 4.02Å; F156-P334 HydrophobicContact CZ-CG 4.17Å; F156-Y342 AromaticContact CE2-CD1 3.93Å; F156-Y342 HydrophobicContact CE2-CD1 3.93Å; F156-Y342 HydrophobicContact CE2-CD2 4.3Å; F156-Y342 AromaticContact CE2-CE1 3.83Å; F156-Y342 HydrophobicContact CE2-CE1 3.83Å; F156-Y342 HydrophobicContact CE2-CE2 4.17Å; F156-Y342 HydrophobicContact CE2-CG 4.16Å; F156-Y342 AromaticContact CE2-CZ 3.93Å; F156-Y342 HydrophobicContact CZ-CD2 4.49Å; F156-Y342 HydrophobicContact CZ-CE1 4.22Å; F156-Y342 HydrophobicContact CZ-CE2 4.01Å; F156-Y342 AromaticContact CZ-CZ 3.85Å
157	K	96.2	Very high	93.6	Very high	37 Å²	37	21.8 Å²	21.8	16%	0.161	10%	0.101	C	C	.	.	H	α-helix	trans	-53.7	-43.3	171.9	-155.4	-174.9	171.6	173.7	0	111.5	T159 A160 F161 Y284 E285 S287 S333	K157-T159 VanDerWaalsContact C-N 3.32Å; K157-T159 PolarHBondContact O-N 3.18Å; K157-A160 WeakPolarHBondContact O-CB 3.42Å; K157-A160 PolarHBondContact O-N 3.28Å; K157-F161 PolarHBondContact O-N 3.31Å; K157-Y284 VanDerWaalsContact C-CE2 3.47Å; K157-Y284 HydrophobicContact CB-CD2 4.49Å; K157-Y284 HydrophobicContact CB-CE2 3.81Å; K157-Y284 HydrophobicContact CD-CD2 4.21Å; K157-Y284 HydrophobicContact CD-CE1 4.01Å; K157-Y284 HydrophobicContact CD-CE2 3.74Å; K157-Y284 WeakPolarHBondContact CE-O 3.38Å; K157-Y284 HydrophobicContact CG-CD2 3.73Å; K157-Y284 HydrophobicContact CG-CE2 3.39Å; K157-Y284 HydrophobicContact CG-CG 4.5Å; K157-Y284 PolarHBondContact NZ-O 3.42Å; K157-Y284 WeakPolarHBondContact O-CD2 3.36Å; K157-Y284 WeakPolarHBondContact O-CE2 3.38Å; K157-E285 PolarHBondContact NZ-O 2.9Å; K157-E285 IonicContact NZ-OE2 3.81Å; K157-E285 PolarHBondContact NZ-OE2 3.47Å; K157-S287 WeakPolarHBondContact CE-OG 3.25Å; K157-S287 VanDerWaalsContact CG-OG 3.27Å; K157-S287 WeakPolarHBondContact CG-OG 3.04Å; K157-S333 WeakPolarHBondContact CB-OG 3.44Å
158	E	96.1	Very high	94	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-39.2	179.3	-64.5	72.9	-161	0	0	111	W139 F156 A160 F161 L162 Y284 S333 F336	W139-E158 HydrophobicContact CB-CG 4.46Å; W139-E158 HydrophobicContact CD2-CB 4.11Å; W139-E158 HydrophobicContact CD2-CG 3.55Å; W139-E158 HydrophobicContact CE3-CB 4.02Å; W139-E158 HydrophobicContact CE3-CG 3.45Å; W139-E158 VanDerWaalsContact CE3-CG 3.45Å; W139-E158 HydrophobicContact CG-CG 4.03Å; W139-E158 HydrophobicContact CH2-CB 3.92Å; W139-E158 HydrophobicContact CH2-CG 4.3Å; W139-E158 HydrophobicContact CZ2-CB 4.01Å; W139-E158 HydrophobicContact CZ2-CG 4.38Å; W139-E158 HydrophobicContact CZ3-CB 3.93Å; W139-E158 HydrophobicContact CZ3-CG 3.85Å; F156-E158 VanDerWaalsContact C-N 3.25Å; F156-E158 WeakPolarHBondContact CB-OE2 3.45Å; F156-E158 PolarHBondContact O-N 3.11Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 3.41Å; E158-F161 PolarHBondContact O-N 3.43Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 2.86Å; E158-Y284 PolarHBondContact OE1-OH 3.44Å; E158-Y284 VanDerWaalsContact OE1-OH 3.06Å; E158-S333 VanDerWaalsContact CD-OG 3.26Å; E158-S333 PolarHBondContact OE1-OG 3.34Å; E158-S333 VanDerWaalsContact OE1-OG 3.14Å; E158-S333 WeakPolarHBondContact OE2-CB 3.42Å; E158-S333 PolarHBondContact OE2-OG 2.96Å; E158-F336 HydrophobicContact CG-CE2 4.32Å; E158-F336 HydrophobicContact CG-CZ 4.04Å; E158-F336 VanDerWaalsContact OE1-CE2 3.25Å; E158-F336 WeakPolarHBondContact OE1-CE2 3.36Å
159	T	95.8	Very high	94.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-41.6	176.1	-51.3	0	0	0	0	111	I151 L152 R154 F156 K157 F161 L162 Y163	I151-T159 WeakPolarHBondContact CG2-OG1 3.45Å; I151-T159 PolarHBondContact O-OG1 2.94Å; L152-T159 HydrophobicContact CD2-CG2 4.15Å; R154-T159 WeakPolarHBondContact O-CB 3.45Å; R154-T159 WeakPolarHBondContact O-CG2 3.46Å; R154-T159 PolarHBondContact O-OG1 3.22Å; F156-T159 WeakPolarHBondContact O-CB 3.44Å; F156-T159 PolarHBondContact O-N 3.26Å; F156-T159 VanDerWaalsContact O-N 3.11Å; K157-T159 VanDerWaalsContact C-N 3.32Å; K157-T159 PolarHBondContact O-N 3.18Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 3.08Å; T159-L162 WeakPolarHBondContact O-CB 3.36Å; T159-L162 PolarHBondContact O-N 3.16Å; T159-Y163 HydrophobicContact CG2-CD2 3.88Å; T159-Y163 HydrophobicContact CG2-CE2 3.76Å; T159-Y163 WeakPolarHBondContact O-CD2 3.44Å; T159-Y163 PolarHBondContact O-N 2.64Å
160	A	96.8	Very high	95.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-57.5	-45.6	176.1	0	0	0	0	0	112.2	F156 K157 E158 Y163 A164 N236 L327 L328	F156-A160 PolarHBondContact O-N 3.26Å; F156-A160 VanDerWaalsContact O-N 3.08Å; K157-A160 WeakPolarHBondContact O-CB 3.42Å; K157-A160 PolarHBondContact O-N 3.28Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 3.41Å; A160-Y163 PolarHBondContact O-N 2.69Å; A160-A164 PolarHBondContact O-N 3Å; A160-A164 VanDerWaalsContact O-N 3.15Å; A160-N236 WeakPolarHBondContact CA-ND2 3.38Å; A160-N236 VanDerWaalsContact CB-ND2 3.28Å; A160-N236 WeakPolarHBondContact CB-ND2 3.37Å; A160-L327 HydrophobicContact CB-CB 4.14Å; A160-L327 HydrophobicContact CB-CD1 4.5Å; A160-L328 WeakPolarHBondContact CB-O 3.45Å
161	F	97.9	Very high	95.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-43.2	175.1	-176.7	-91.4	0	0	0	112.1	C130 Q133 F134 K157 E158 T159 Y163 A164 V165 L280 K281 Y284 L327	C130-F161 HydrophobicContact CB-CE1 4.05Å; Q133-F161 HydrophobicContact CB-CZ 4.3Å; Q133-F161 HydrophobicContact CG-CZ 4.34Å; F134-F161 HydrophobicContact CD2-CD1 4.4Å; F134-F161 HydrophobicContact CD2-CE1 4.16Å; F134-F161 AromaticContact CE2-CD1 3.53Å; F134-F161 HydrophobicContact CE2-CD1 3.53Å; F134-F161 HydrophobicContact CE2-CD2 4.1Å; F134-F161 AromaticContact CE2-CE1 3.55Å; F134-F161 HydrophobicContact CE2-CE1 3.55Å; F134-F161 HydrophobicContact CE2-CE2 4.09Å; F134-F161 AromaticContact CE2-CG 3.81Å; F134-F161 HydrophobicContact CE2-CG 3.81Å; F134-F161 AromaticContact CE2-CZ 3.83Å; F134-F161 HydrophobicContact CE2-CZ 3.83Å; F134-F161 HydrophobicContact CZ-CB 4.49Å; F134-F161 HydrophobicContact CZ-CD1 4.21Å; F134-F161 HydrophobicContact CZ-CD2 4.41Å; F134-F161 HydrophobicContact CZ-CG 4.11Å; K157-F161 PolarHBondContact O-N 3.31Å; E158-F161 PolarHBondContact O-N 3.43Å; T159-F161 VanDerWaalsContact C-N 3.34Å; T159-F161 PolarHBondContact O-N 3.08Å; F161-Y163 VanDerWaalsContact C-N 3.3Å; F161-Y163 PolarHBondContact O-N 3.41Å; F161-A164 PolarHBondContact O-N 3.42Å; F161-A164 VanDerWaalsContact O-N 3.16Å; F161-V165 HydrophobicContact CD1-CB 4.31Å; F161-V165 HydrophobicContact CD1-CG1 4.06Å; F161-V165 HydrophobicContact CE1-CB 3.86Å; F161-V165 HydrophobicContact CE1-CG1 3.86Å; F161-V165 HydrophobicContact CE1-CG2 4.21Å; F161-V165 HydrophobicContact CZ-CB 4.16Å; F161-V165 HydrophobicContact CZ-CG2 4.3Å; F161-V165 WeakPolarHBondContact O-CG1 3.49Å; F161-V165 PolarHBondContact O-N 2.94Å; F161-L280 HydrophobicContact CD2-CB 4.28Å; F161-L280 HydrophobicContact CE2-CB 3.72Å; F161-K281 HydrophobicContact CE2-CB 4.29Å; F161-Y284 HydrophobicContact CB-CD2 3.7Å; F161-Y284 HydrophobicContact CB-CE2 4.33Å; F161-Y284 HydrophobicContact CB-CG 4.41Å; F161-Y284 HydrophobicContact CD2-CD2 4.47Å; F161-Y284 HydrophobicContact CD2-CG 4.38Å; F161-Y284 HydrophobicContact CG-CD2 4.4Å; F161-L327 HydrophobicContact CB-CD1 4.25Å; F161-L327 HydrophobicContact CD2-CD1 4.43Å
162	L	96.5	Very high	95.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-58.7	-40.8	178.4	-72	174.8	0	0	0	112.2	W139 L143 I151 L152 E158 T159 S166	W139-L162 HydrophobicContact CH2-CD1 4.34Å; W139-L162 HydrophobicContact CH2-CD2 4.06Å; W139-L162 HydrophobicContact CH2-CG 4.09Å; W139-L162 HydrophobicContact CZ2-CD1 4.18Å; W139-L162 HydrophobicContact CZ2-CD2 4.47Å; W139-L162 HydrophobicContact CZ2-CG 4.44Å; L143-L162 HydrophobicContact CD2-CD2 3.81Å; I151-L162 HydrophobicContact CG2-CD1 4.14Å; L152-L162 HydrophobicContact CD2-CB 4.27Å; L152-L162 HydrophobicContact CD2-CD1 3.8Å; E158-L162 WeakPolarHBondContact O-CG 3.4Å; E158-L162 PolarHBondContact O-N 2.86Å; T159-L162 WeakPolarHBondContact O-CB 3.36Å; T159-L162 PolarHBondContact O-N 3.16Å; L162-S166 WeakPolarHBondContact O-CB 3.48Å; L162-S166 PolarHBondContact O-N 3.19Å; L162-S166 VanDerWaalsContact O-N 3.16Å; L162-S166 PolarHBondContact O-OG 2.91Å
163	Y	95.9	Very high	96.1	Very high	10 Å²	10	15.3 Å²	15.3	4%	0.039	7%	0.065	C	C	.	.	H	α-helix	trans	-64.1	-46.4	174.8	-87.6	-83.1	0	0	0	111.9	L69 T159 A160 F161 S167 R223 D233	L69-Y163 HydrophobicContact CD2-CD1 3.37Å; L69-Y163 HydrophobicContact CD2-CE1 3.83Å; L69-Y163 HydrophobicContact CD2-CG 4.12Å; T159-Y163 HydrophobicContact CG2-CD2 3.88Å; T159-Y163 HydrophobicContact CG2-CE2 3.76Å; T159-Y163 WeakPolarHBondContact O-CD2 3.44Å; T159-Y163 PolarHBondContact O-N 2.64Å; A160-Y163 PolarHBondContact O-N 2.69Å; F161-Y163 VanDerWaalsContact C-N 3.3Å; F161-Y163 PolarHBondContact O-N 3.41Å; Y163-S167 WeakPolarHBondContact O-CB 3.28Å; Y163-S167 PolarHBondContact O-N 2.62Å; Y163-S167 PolarHBondContact O-OG 3.05Å; Y163-R223 PolarHBondContact OH-NH1 2.84Å; Y163-R223 PolarHBondContact OH-NH2 2.92Å; Y163-D233 HydrophobicContact CD1-CB 4.24Å; Y163-D233 HydrophobicContact CD2-CB 4.43Å; Y163-D233 WeakPolarHBondContact CD2-OD1 3.37Å; Y163-D233 HydrophobicContact CE1-CB 3.95Å; Y163-D233 HydrophobicContact CE2-CB 4.14Å; Y163-D233 WeakPolarHBondContact CE2-OD1 3.39Å; Y163-D233 WeakPolarHBondContact CE2-OD2 3.37Å; Y163-D233 HydrophobicContact CG-CB 4.47Å; Y163-D233 VanDerWaalsContact CZ-OD2 3.25Å; Y163-D233 PolarHBondContact OH-OD2 2.81Å
164	A	97.6	Very high	96.4	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-68.1	-45.1	-177.4	0	0	0	0	0	113.1	A160 F161 S166 S167 A168 N236 G240 L280 L327	A160-A164 PolarHBondContact O-N 3Å; A160-A164 VanDerWaalsContact O-N 3.15Å; F161-A164 PolarHBondContact O-N 3.42Å; F161-A164 VanDerWaalsContact O-N 3.16Å; A164-S166 VanDerWaalsContact C-N 3.35Å; A164-S166 PolarHBondContact O-N 3.49Å; A164-S167 PolarHBondContact O-OG 3.36Å; A164-S167 VanDerWaalsContact O-OG 3.1Å; A164-A168 WeakPolarHBondContact O-CB 3.23Å; A164-A168 PolarHBondContact O-N 3.43Å; A164-N236 WeakPolarHBondContact CA-O 3.47Å; A164-N236 WeakPolarHBondContact CB-O 2.86Å; A164-G240 WeakPolarHBondContact O-CA 3.36Å; A164-L280 HydrophobicContact CB-CD2 3.96Å; A164-L327 HydrophobicContact CB-CD1 4.29Å; A164-L327 HydrophobicContact CB-CD2 3.63Å
165	V	98	Very high	96.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-67.7	-36.7	179.2	74	0	0	0	0	111.5	S126 C130 F161 A168 G169 F273 L280	S126-V165 PolarHBondContact OG-O 3.47Å; C130-V165 HydrophobicContact CB-CG1 4.49Å; F161-V165 HydrophobicContact CD1-CB 4.31Å; F161-V165 HydrophobicContact CD1-CG1 4.06Å; F161-V165 HydrophobicContact CE1-CB 3.86Å; F161-V165 HydrophobicContact CE1-CG1 3.86Å; F161-V165 HydrophobicContact CE1-CG2 4.21Å; F161-V165 HydrophobicContact CZ-CB 4.16Å; F161-V165 HydrophobicContact CZ-CG2 4.3Å; F161-V165 WeakPolarHBondContact O-CG1 3.49Å; F161-V165 PolarHBondContact O-N 2.94Å; V165-A168 PolarHBondContact O-N 3.42Å; V165-G169 PolarHBondContact O-N 2.71Å; V165-F273 HydrophobicContact CG2-CE1 4.32Å; V165-F273 HydrophobicContact CG2-CZ 4.12Å; V165-L280 HydrophobicContact CB-CD1 4.14Å; V165-L280 HydrophobicContact CG2-CD1 4.37Å
166	S	95.9	Very high	97	Very high	7 Å²	7	7.1 Å²	7.1	5%	0.049	3%	0.033	C	C	.	.	H	α-helix	trans	-70.5	-40.7	179.1	-55.4	0	0	0	0	111.8	F67 L162 A164 A168 L170	F67-S166 VanDerWaalsContact CD1-OG 3.3Å; F67-S166 WeakPolarHBondContact CD1-OG 3.18Å; F67-S166 WeakPolarHBondContact CE1-OG 3.29Å; L162-S166 WeakPolarHBondContact O-CB 3.48Å; L162-S166 PolarHBondContact O-N 3.19Å; L162-S166 VanDerWaalsContact O-N 3.16Å; L162-S166 PolarHBondContact O-OG 2.91Å; A164-S166 VanDerWaalsContact C-N 3.35Å; A164-S166 PolarHBondContact O-N 3.49Å; S166-A168 VanDerWaalsContact C-N 3.35Å; S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 PolarHBondContact O-N 3.38Å
167	S	96.8	Very high	97	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-69.5	-36.4	176.5	71.8	0	0	0	0	111.5	Y163 A164 T171 T237	Y163-S167 WeakPolarHBondContact O-CB 3.28Å; Y163-S167 PolarHBondContact O-N 2.62Å; Y163-S167 PolarHBondContact O-OG 3.05Å; A164-S167 PolarHBondContact O-OG 3.36Å; A164-S167 VanDerWaalsContact O-OG 3.1Å; S167-T171 WeakPolarHBondContact O-CB 3.44Å; S167-T171 PolarHBondContact O-N 2.75Å; S167-T171 PolarHBondContact O-OG1 2.75Å; S167-T237 WeakPolarHBondContact CB-O 3.06Å; S167-T237 PolarHBondContact OG-O 3.29Å
168	A	97.9	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.8	-48.5	172.9	0	0	0	0	0	111.6	A164 V165 S166 L170 T171 H172 I244 F273 I276 L280	A164-A168 WeakPolarHBondContact O-CB 3.23Å; A164-A168 PolarHBondContact O-N 3.43Å; V165-A168 PolarHBondContact O-N 3.42Å; S166-A168 VanDerWaalsContact C-N 3.35Å; A168-L170 PolarHBondContact O-N 2.8Å; A168-T171 PolarHBondContact O-N 2.84Å; A168-H172 WeakPolarHBondContact O-CB 3.28Å; A168-H172 PolarHBondContact O-N 2.99Å; A168-I244 HydrophobicContact CB-CD1 3.99Å; A168-I244 HydrophobicContact CB-CG1 3.67Å; A168-F273 HydrophobicContact CB-CE2 4.25Å; A168-I276 HydrophobicContact CB-CG2 4.05Å; A168-L280 HydrophobicContact CB-CD1 3.92Å
169	G	97.7	Very high	97	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64	-39.7	178.9	0	0	0	0	0	113	V165 H172 A173 F273	V165-G169 PolarHBondContact O-N 2.71Å; G169-H172 PolarHBondContact O-N 2.85Å; G169-A173 WeakPolarHBondContact O-CB 3.02Å; G169-A173 PolarHBondContact O-N 3.09Å; G169-F273 VanDerWaalsContact CA-CE2 3.42Å
170	L	96.8	Very high	96.9	Very high	10 Å²	10	9.1 Å²	9.1	5%	0.052	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-43.8	173.2	-174.3	61.5	0	0	0	111.5	L119 A122 S166 A168 H172 M174 V216 F219 L220	L119-L170 HydrophobicContact CD2-CD1 3.47Å; L119-L170 VanDerWaalsContact CD2-CD1 3.47Å; A122-L170 HydrophobicContact CB-CD1 4.15Å; S166-L170 WeakPolarHBondContact O-CB 3.3Å; S166-L170 PolarHBondContact O-N 3.38Å; A168-L170 PolarHBondContact O-N 2.8Å; L170-H172 VanDerWaalsContact C-N 3.35Å; L170-M174 HydrophobicContact CD1-CE 3.72Å; L170-M174 HydrophobicContact CD1-CG 4.08Å; L170-M174 HydrophobicContact CG-CG 4.47Å; L170-M174 WeakPolarHBondContact O-CB 3.45Å; L170-M174 WeakPolarHBondContact O-CG 3.32Å; L170-M174 PolarHBondContact O-N 3.48Å; L170-M174 VanDerWaalsContact O-N 3.11Å; L170-V216 HydrophobicContact CB-CG2 4.23Å; L170-V216 HydrophobicContact CD2-CB 4.36Å; L170-V216 HydrophobicContact CD2-CG1 4.05Å; L170-V216 HydrophobicContact CD2-CG2 3.83Å; L170-V216 HydrophobicContact CG-CG2 3.64Å; L170-F219 HydrophobicContact CD2-CD1 3.93Å; L170-F219 HydrophobicContact CD2-CE1 4.38Å; L170-L220 HydrophobicContact CD2-CD2 4.49Å
171	T	97.8	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-65.3	-41.3	178.7	-54.3	0	0	0	0	111.2	S167 A168 A175 L209 S212 I244	S167-T171 WeakPolarHBondContact O-CB 3.44Å; S167-T171 PolarHBondContact O-N 2.75Å; S167-T171 PolarHBondContact O-OG1 2.75Å; A168-T171 PolarHBondContact O-N 2.84Å; T171-A175 WeakPolarHBondContact O-CB 3.37Å; T171-A175 PolarHBondContact O-N 2.62Å; T171-L209 HydrophobicContact CG2-CD2 3.8Å; T171-S212 VanDerWaalsContact C-OG 3.26Å; T171-S212 WeakPolarHBondContact CA-OG 3.38Å; T171-S212 WeakPolarHBondContact CG2-OG 3.42Å; T171-S212 WeakPolarHBondContact O-CB 3.12Å; T171-S212 PolarHBondContact O-OG 2.91Å; T171-I244 HydrophobicContact CG2-CB 4.43Å; T171-I244 HydrophobicContact CG2-CG2 3.88Å
172	H	98.1	Very high	96.6	Very high	5 Å²	5	16.3 Å²	16.3	2%	0.023	10%	0.103	C	C	.	.	H	α-helix	trans	-64.6	-53.8	-180	-169.1	-85	0	0	0	111.7	A168 G169 L170 M174 A175 K176 I244 L270 S271 F273	A168-H172 WeakPolarHBondContact O-CB 3.28Å; A168-H172 PolarHBondContact O-N 2.99Å; G169-H172 PolarHBondContact O-N 2.85Å; L170-H172 VanDerWaalsContact C-N 3.35Å; H172-M174 PolarHBondContact O-N 3.31Å; H172-A175 PolarHBondContact O-N 3.21Å; H172-K176 WeakPolarHBondContact CE1-CE 3.3Å; H172-K176 PolarHBondContact O-N 2.85Å; H172-I244 HydrophobicContact CB-CD1 4.01Å; H172-L270 HydrophobicContact CB-CD1 4.48Å; H172-S271 PolarHBondContact NE2-O 3Å; H172-F273 HydrophobicContact CB-CD2 4.02Å; H172-F273 HydrophobicContact CB-CE2 4.23Å; H172-F273 AromaticContact CD2-CD2 3.97Å; H172-F273 AromaticContact CG-CD2 3.88Å
173	A	98	Very high	96.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-43.4	-178.2	0	0	0	0	0	112.1	T118 A122 G169 A175 K176 A177	T118-A173 VanDerWaalsContact CG2-C 3.49Å; T118-A173 HydrophobicContact CG2-CB 3.8Å; T118-A173 WeakPolarHBondContact CG2-O 3.49Å; A122-A173 HydrophobicContact CB-CB 3.74Å; G169-A173 WeakPolarHBondContact O-CB 3.02Å; G169-A173 PolarHBondContact O-N 3.09Å; A173-A175 PolarHBondContact O-N 3.02Å; A173-K176 PolarHBondContact O-N 2.99Å; A173-A177 VanDerWaalsContact O-CB 3.3Å; A173-A177 WeakPolarHBondContact O-CB 3.16Å; A173-A177 PolarHBondContact O-N 3.24Å
174	M	96.9	Very high	96	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.3	-40.2	179.1	-68.9	-69.4	163.3	0	0	112.4	V115 T118 L119 L170 H172 A177 C178 M183 S212 F215	V115-M174 HydrophobicContact CG1-CE 4.2Å; T118-M174 HydrophobicContact CG2-CE 3.71Å; T118-M174 HydrophobicContact CG2-CG 4.19Å; T118-M174 HydrophobicContact CG2-SD 3.65Å; L119-M174 HydrophobicContact CD2-CE 3.75Å; L119-M174 HydrophobicContact CG-CE 3.78Å; L170-M174 HydrophobicContact CD1-CE 3.72Å; L170-M174 HydrophobicContact CD1-CG 4.08Å; L170-M174 HydrophobicContact CG-CG 4.47Å; L170-M174 WeakPolarHBondContact O-CB 3.45Å; L170-M174 WeakPolarHBondContact O-CG 3.32Å; L170-M174 PolarHBondContact O-N 3.48Å; L170-M174 VanDerWaalsContact O-N 3.11Å; H172-M174 PolarHBondContact O-N 3.31Å; M174-A177 PolarHBondContact O-N 3.28Å; M174-C178 PolarHBondContact O-N 3.17Å; M174-C178 PolarHBondContact O-SG 3.5Å; M174-C178 VanDerWaalsContact O-SG 3.39Å; M174-M183 VanDerWaalsContact O-CE 3.22Å; M174-M183 WeakPolarHBondContact O-CE 3.36Å; M174-M183 HydrophobicContact SD-CE 4.28Å; M174-M183 HydrophobicContact SD-SD 3.92Å; M174-S212 WeakPolarHBondContact CB-OG 3.44Å; M174-F215 HydrophobicContact CE-CD1 4.34Å; M174-F215 HydrophobicContact CE-CE1 3.71Å; M174-F215 HydrophobicContact CE-CZ 4.11Å; M174-F215 HydrophobicContact CG-CD1 4.01Å; M174-F215 HydrophobicContact CG-CE1 4.31Å; M174-F215 HydrophobicContact SD-CD1 4.02Å; M174-F215 HydrophobicContact SD-CE1 3.92Å; M174-F215 HydrophobicContact SD-CZ 4.33Å
175	A	97.3	Very high	95.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-41.3	177.5	0	0	0	0	0	111.7	T171 H172 A173 C178 S179 D207 N208 L209 L270	T171-A175 WeakPolarHBondContact O-CB 3.37Å; T171-A175 PolarHBondContact O-N 2.62Å; H172-A175 PolarHBondContact O-N 3.21Å; A173-A175 PolarHBondContact O-N 3.02Å; A175-C178 PolarHBondContact O-N 3.01Å; A175-S179 PolarHBondContact O-N 3.32Å; A175-S179 PolarHBondContact O-OG 3.43Å; A175-D207 HydrophobicContact CB-CB 4.32Å; A175-N208 PolarHBondContact O-N 2.9Å; A175-L209 HydrophobicContact CB-CD2 4.09Å; A175-L209 HydrophobicContact CB-CG 4.49Å; A175-L270 HydrophobicContact CB-CD1 3.75Å
176	K	96.8	Very high	95.4	Very high	63 Å²	63	31.6 Å²	31.6	27%	0.274	17%	0.17	S	C	.	.	H	α-helix	trans	-69.8	-34	176.2	-73	-154.8	168.2	-163.6	0	113.7	H172 A173 C178 S179 A180 L270	H172-K176 WeakPolarHBondContact CE1-CE 3.3Å; H172-K176 PolarHBondContact O-N 2.85Å; A173-K176 PolarHBondContact O-N 2.99Å; K176-C178 VanDerWaalsContact C-N 3.29Å; K176-C178 PolarHBondContact O-N 3.4Å; K176-S179 WeakPolarHBondContact CA-OG 3.33Å; K176-S179 PolarHBondContact O-N 3.47Å; K176-S179 PolarHBondContact O-OG 2.99Å; K176-S179 VanDerWaalsContact O-OG 3.08Å; K176-A180 WeakPolarHBondContact O-CB 3.3Å; K176-A180 PolarHBondContact O-N 3.1Å; K176-L270 HydrophobicContact CG-CD1 4.28Å
177	A	97.1	Very high	95.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-35.3	176.5	0	0	0	0	0	111.7	T118 A173 M174 G181 R182 M183	T118-A177 HydrophobicContact CG2-CB 3.69Å; T118-A177 VanDerWaalsContact OG1-CB 3.3Å; T118-A177 WeakPolarHBondContact OG1-CB 3.23Å; A173-A177 VanDerWaalsContact O-CB 3.3Å; A173-A177 WeakPolarHBondContact O-CB 3.16Å; A173-A177 PolarHBondContact O-N 3.24Å; M174-A177 PolarHBondContact O-N 3.28Å; A177-G181 PolarHBondContact O-N 3.35Å; A177-R182 HydrophobicContact CB-CB 4.45Å; A177-R182 PolarHBondContact O-N 2.91Å; A177-M183 HydrophobicContact CB-CE 3.74Å; A177-M183 HydrophobicContact CB-CG 3.98Å; A177-M183 HydrophobicContact CB-SD 3.95Å
178	C	95.8	Very high	95	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-65.1	-50.2	173.4	-69.1	0	0	0	0	112.7	M174 A175 K176 A180 G181 M183 C186 N208 Y211	M174-C178 PolarHBondContact O-N 3.17Å; M174-C178 PolarHBondContact O-SG 3.5Å; M174-C178 VanDerWaalsContact O-SG 3.39Å; A175-C178 PolarHBondContact O-N 3.01Å; K176-C178 VanDerWaalsContact C-N 3.29Å; K176-C178 PolarHBondContact O-N 3.4Å; C178-A180 VanDerWaalsContact C-N 3.25Å; C178-A180 PolarHBondContact O-N 3.03Å; C178-G181 PolarHBondContact O-N 2.91Å; C178-G181 VanDerWaalsContact O-N 3.09Å; C178-M183 HydrophobicContact CB-CE 4.31Å; C178-M183 WeakPolarHBondContact SG-CE 3.35Å; C178-C186 WeakPolarHBondContact CA-SG 3.39Å; C178-C186 HydrophobicContact CB-CB 3.93Å; C178-C186 WeakPolarHBondContact CB-SG 3.27Å; C178-C186 WeakPolarHBondContact SG-CB 3.43Å; C178-C186 CovalentContact SG-SG 2.03Å; C178-C186 PolarHBondContact SG-SG 2.03Å; C178-N208 HydrophobicContact CB-CB 3.77Å; C178-Y211 WeakPolarHBondContact SG-CD1 3.41Å
179	S	95	Very high	94.5	Very high	25 Å²	25	39.5 Å²	39.5	18%	0.175	22%	0.218	C	C	.	.	H	α-helix	trans	-67.3	-27.7	179.7	54.7	0	0	0	0	112.6	A175 K176 G181 C205 G206 D207	A175-S179 PolarHBondContact O-N 3.32Å; A175-S179 PolarHBondContact O-OG 3.43Å; K176-S179 WeakPolarHBondContact CA-OG 3.33Å; K176-S179 PolarHBondContact O-N 3.47Å; K176-S179 PolarHBondContact O-OG 2.99Å; K176-S179 VanDerWaalsContact O-OG 3.08Å; S179-G181 VanDerWaalsContact C-N 3.27Å; S179-G181 PolarHBondContact O-N 2.65Å; S179-C205 PolarHBondContact O-SG 3.49Å; S179-G206 WeakPolarHBondContact CB-O 3.29Å; S179-D207 PolarHBondContact OG-OD1 3.49Å
180	A	94.7	Very high	93.4	Very high	66 Å²	66	47 Å²	47	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.6	173.3	0	0	0	0	0	114.3	K176 C178 R182	K176-A180 WeakPolarHBondContact O-CB 3.3Å; K176-A180 PolarHBondContact O-N 3.1Å; C178-A180 VanDerWaalsContact C-N 3.25Å; C178-A180 PolarHBondContact O-N 3.03Å; A180-R182 VanDerWaalsContact C-N 3.26Å; A180-R182 HydrophobicContact CB-CG 4.2Å; A180-R182 PolarHBondContact O-N 3.39Å
181	G	94	Very high	92.4	Very high	63 Å²	63	46.6 Å²	46.6	65%	0.649	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	22.4	-177.2	0	0	0	0	0	114.4	A177 C178 S179	A177-G181 PolarHBondContact O-N 3.35Å; C178-G181 PolarHBondContact O-N 2.91Å; C178-G181 VanDerWaalsContact O-N 3.09Å; S179-G181 VanDerWaalsContact C-N 3.27Å; S179-G181 PolarHBondContact O-N 2.65Å
182	R	93.8	Very high	90.9	Very high	90 Å²	90	51.6 Å²	51.6	34%	0.34	28%	0.284	S	S	.	.			trans	-83.4	-12.3	179	-71.5	-171	-69.5	143.1	-9.6	113.9	G114 E121 A177 A180	G114-R182 WeakPolarHBondContact CA-O 3.45Å; E121-R182 IonicContact OE1-NH2 2.81Å; E121-R182 IonicContact OE2-CZ 2.74Å; E121-R182 VanDerWaalsContact OE2-CZ 3.22Å; E121-R182 IonicContact OE2-NH1 4Å; E121-R182 PolarHBondContact OE2-NH1 2.71Å; E121-R182 IonicContact OE2-NH2 3.15Å; E121-R182 PolarHBondContact OE2-NH2 3.49Å; A177-R182 HydrophobicContact CB-CB 4.45Å; A177-R182 PolarHBondContact O-N 2.91Å; A180-R182 VanDerWaalsContact C-N 3.26Å; A180-R182 HydrophobicContact CB-CG 4.2Å; A180-R182 PolarHBondContact O-N 3.39Å
183	M	91.5	Very high	89.6	Confident	5 Å²	5	56.1 Å²	56.1	3%	0.025	31%	0.308	C	S	.	.			trans	-119.3	132.6	179.7	-64.1	-168.6	-56.4	0	0	109.2	V115 M174 A177 C178 R185 C186 Y211	V115-M183 HydrophobicContact CG2-SD 3.96Å; M174-M183 VanDerWaalsContact O-CE 3.22Å; M174-M183 WeakPolarHBondContact O-CE 3.36Å; M174-M183 HydrophobicContact SD-CE 4.28Å; M174-M183 HydrophobicContact SD-SD 3.92Å; A177-M183 HydrophobicContact CB-CE 3.74Å; A177-M183 HydrophobicContact CB-CG 3.98Å; A177-M183 HydrophobicContact CB-SD 3.95Å; C178-M183 HydrophobicContact CB-CE 4.31Å; C178-M183 WeakPolarHBondContact SG-CE 3.35Å; M183-R185 VanDerWaalsContact C-N 3.31Å; M183-R185 PolarHBondContact O-N 3.41Å; M183-C186 WeakPolarHBondContact CE-SG 3.4Å; M183-Y211 HydrophobicContact CE-CD1 4.26Å; M183-Y211 HydrophobicContact CE-CE1 3.62Å
184	E	88.4	Confident	88.4	Confident	159 Å²	159	57.6 Å²	57.6	74%	0.743	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-25	-174.2	-63.4	177.2	173.4	0	0	112	D112	D112-E184 PolarHBondContact OD2-N 3.05Å
185	R	89.9	Confident	86.8	Confident	152 Å²	152	65 Å²	65	57%	0.574	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	12.9	-171.1	-60.9	-179.3	-179.4	-109.5	2.1	114	R111 M183	R111-R185 PolarHBondContact O-NE 2.78Å; M183-R185 VanDerWaalsContact C-N 3.31Å; M183-R185 PolarHBondContact O-N 3.41Å
186	C	93.7	Very high	85	Confident	17 Å²	17	66.5 Å²	66.5	12%	0.115	36%	0.358	C	S	.	.			trans	-150.7	161.3	172.1	62.5	0	0	0	0	111.9	C178 M183 Y211	C178-C186 WeakPolarHBondContact CA-SG 3.39Å; C178-C186 HydrophobicContact CB-CB 3.93Å; C178-C186 WeakPolarHBondContact CB-SG 3.27Å; C178-C186 WeakPolarHBondContact SG-CB 3.43Å; C178-C186 CovalentContact SG-SG 2.03Å; C178-C186 PolarHBondContact SG-SG 2.03Å; M183-C186 WeakPolarHBondContact CE-SG 3.4Å; C186-Y211 HydrophobicContact CB-CD1 3.99Å; C186-Y211 HydrophobicContact CB-CD2 3.53Å; C186-Y211 HydrophobicContact CB-CE1 4.14Å; C186-Y211 HydrophobicContact CB-CE2 3.67Å; C186-Y211 HydrophobicContact CB-CG 3.67Å
187	T	92.8	Very high	83	Confident	97 Å²	97	73.6 Å²	73.6	60%	0.595	38%	0.383	S	S	*	.			trans	-124	178.4	177.1	56.6	0	0	0	0	109.4	N208	T187-N208 VanDerWaalsContact O-CB 3.3Å; T187-N208 WeakPolarHBondContact O-CB 3.22Å; T187-N208 PolarHBondContact O-ND2 3.45Å
188	C	91.3	Very high	81	Confident	32 Å²	32	81.3 Å²	81.3	22%	0.216	42%	0.417	C	S	.	.			trans	-65.4	165	170.5	19.9	0	0	0	0	113.6	C205 G206	C188-C205 HydrophobicContact CB-CB 3.79Å; C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CA 3.33Å; C188-C205 WeakPolarHBondContact SG-CB 3.49Å; C188-C205 CovalentContact SG-SG 2.04Å; C188-C205 PolarHBondContact SG-SG 3.46Å; C188-G206 WeakPolarHBondContact CA-O 3.39Å; C188-G206 WeakPolarHBondContact CB-O 3.35Å
189	D	87.3	Confident	78.5	Confident	43 Å²	43	83.4 Å²	83.4	23%	0.23	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-77.1	119.2	163.6	-173.4	21	0	0	0	109.7	A191 G206	D189-A191 VanDerWaalsContact C-N 3.27Å; D189-A191 PolarHBondContact OD1-N 3.25Å; D189-G206 PolarHBondContact N-O 3.2Å; D189-G206 WeakPolarHBondContact O-CA 3.33Å; D189-G206 PolarHBondContact O-N 3.11Å
190	E	74.9	Confident	76.6	Confident	158 Å²	158	93.7 Å²	93.7	74%	0.738	47%	0.469	S	S	*	.			trans	-80.7	-8	178.8	-65.7	-179.3	173.4	0	0	112.6
191	A	74.4	Confident	74.6	Confident	2 Å²	2	93.1 Å²	93.1	2%	0.017	46%	0.455	C	S	.	.			trans	40	63	176	0	0	0	0	0	113.4	D189 D193 L194 R268	D189-A191 VanDerWaalsContact C-N 3.27Å; D189-A191 PolarHBondContact OD1-N 3.25Å; A191-D193 PolarHBondContact O-N 2.63Å; A191-L194 HydrophobicContact CB-CD1 3.66Å; A191-L194 HydrophobicContact CB-CG 3.94Å; A191-L194 WeakPolarHBondContact O-CB 3.45Å; A191-L194 PolarHBondContact O-N 3.38Å; A191-R268 HydrophobicContact CB-CG 4.26Å
192	P	68.1	Low	72.6	Confident	105 Å²	105	101.1 Å²	101.1	68%	0.682	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.8	-170.4	28.4	-37	0	0	0	113.8
193	D	70.9	Confident	71.1	Confident	100 Å²	100	99.6 Å²	99.6	54%	0.535	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-13.7	176.1	61.9	-53.4	0	0	0	113.5	A191 R268	A191-D193 PolarHBondContact O-N 2.63Å; D193-R268 IonicContact OD1-CZ 3.53Å; D193-R268 IonicContact OD1-NH1 3.74Å; D193-R268 PolarHBondContact OD1-NH1 3.39Å; D193-R268 IonicContact OD1-NH2 3.55Å; D193-R268 IonicContact OD2-CZ 3.41Å; D193-R268 IonicContact OD2-NH1 3.62Å; D193-R268 PolarHBondContact OD2-NH1 3.21Å; D193-R268 IonicContact OD2-NH2 2.64Å; D193-R268 PolarHBondContact OD2-NH2 3.04Å
194	L	71.9	Confident	70.4	Confident	30 Å²	30	100.1 Å²	100.1	16%	0.157	49%	0.485	C	S	.	.	S	Bend	trans	-75.3	126.1	168.3	-61.8	178.3	0	0	0	108.7	A191 N196 T250 C266	A191-L194 HydrophobicContact CB-CD1 3.66Å; A191-L194 HydrophobicContact CB-CG 3.94Å; A191-L194 WeakPolarHBondContact O-CB 3.45Å; A191-L194 PolarHBondContact O-N 3.38Å; L194-N196 PolarHBondContact O-N 3.17Å; L194-T250 HydrophobicContact CD1-CG2 4.07Å; L194-T250 HydrophobicContact CD2-CG2 4.04Å; L194-C266 HydrophobicContact CD1-CB 4.36Å
195	E	62.7	Low	70.4	Confident	155 Å²	155	95.4 Å²	95.4	72%	0.724	47%	0.469	S	S	*	.			trans	-70.2	70.2	176.9	-73	-166.9	163.4	0	0	111.8	R197	E195-R197 PolarHBondContact O-N 2.98Å; E195-R197 VanDerWaalsContact O-N 3.11Å
196	N	61.1	Low	70.5	Confident	32 Å²	32	88.2 Å²	88.2	17%	0.171	44%	0.442	C	S	.	.			trans	-73.9	13.3	164	-65.3	-43.3	0	0	0	111.5	L194 K198 Q201 C266	L194-N196 PolarHBondContact O-N 3.17Å; N196-K198 VanDerWaalsContact C-N 3.34Å; N196-K198 PolarHBondContact O-N 3.47Å; N196-Q201 VanDerWaalsContact C-OE1 3.31Å; N196-Q201 HydrophobicContact CB-CB 4.48Å; N196-Q201 VanDerWaalsContact CB-OE1 3.23Å; N196-Q201 WeakPolarHBondContact O-CG 3.03Å; N196-Q201 PolarHBondContact O-OE1 3.08Å; N196-C266 PolarHBondContact OD1-N 3.33Å
197	R	53.6	Low	70.6	Confident	212 Å²	212	88.1 Å²	88.1	80%	0.8	44%	0.441	S	S	*	.			trans	-82.3	-0.3	-165.4	-66.4	-169.6	-175.3	-158.9	2.3	114.8	E195	E195-R197 PolarHBondContact O-N 2.98Å; E195-R197 VanDerWaalsContact O-N 3.11Å
198	K	55.2	Low	70.7	Confident	162 Å²	162	84.5 Å²	84.5	70%	0.704	42%	0.418	S	S	*	.	S	Bend	trans	-99.7	96.9	178.1	-68.7	-179.4	-177.1	172.1	0	110.2	N196 Q201	N196-K198 VanDerWaalsContact C-N 3.34Å; N196-K198 PolarHBondContact O-N 3.47Å; K198-Q201 PolarHBondContact O-NE2 3.23Å
199	A	44.3	Very low	70.8	Confident	47 Å²	47	84 Å²	84	39%	0.388	41%	0.413	S	S	.	.	S	Bend	trans	59.5	98	165.6	0	0	0	0	0	117.1
200	W	53.1	Low	71.2	Confident	240 Å²	240	90.5 Å²	90.5	91%	0.909	44%	0.439	S	S	*	.	S	Bend	trans	69.1	55	157.2	-22.8	-61.9	0	0	0	117.9
201	Q	54.3	Low	72.1	Confident	54 Å²	54	85.4 Å²	85.4	25%	0.252	41%	0.413	S	S	.	.			trans	-109.9	121	-164.9	-57.2	-163.9	-3.6	0	0	115.1	N196 K198 G203 Q264	N196-Q201 VanDerWaalsContact C-OE1 3.31Å; N196-Q201 HydrophobicContact CB-CB 4.48Å; N196-Q201 VanDerWaalsContact CB-OE1 3.23Å; N196-Q201 WeakPolarHBondContact O-CG 3.03Å; N196-Q201 PolarHBondContact O-OE1 3.08Å; K198-Q201 PolarHBondContact O-NE2 3.23Å; Q201-G203 PolarHBondContact O-N 3.42Å; Q201-Q264 PolarHBondContact NE2-O 2.93Å; Q201-Q264 PolarHBondContact OE1-O 2.78Å
202	W	50.9	Low	73.2	Confident	232 Å²	232	85.3 Å²	85.3	88%	0.879	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-56.6	125.3	150.5	-61	87.2	0	0	0	108.2	T265	W202-T265 WeakPolarHBondContact O-CG2 3.2Å; W202-T265 PolarHBondContact O-OG1 3.37Å
203	G	63.7	Low	74.4	Confident	58 Å²	58	81.7 Å²	81.7	60%	0.598	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-70.6	141.8	169.6	0	0	0	0	0	110.6	Q201	Q201-G203 PolarHBondContact O-N 3.42Å
204	G	76.4	Confident	75.6	Confident	16 Å²	16	83.8 Å²	83.8	17%	0.165	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-71.3	153.3	168.6	0	0	0	0	0	110.6	G206	G204-G206 PolarHBondContact O-N 3.31Å
205	C	87.4	Confident	76.7	Confident	60 Å²	60	83.2 Å²	83.2	41%	0.405	39%	0.388	S	S	.	.			trans	-92.8	95.9	-179.7	-167.7	0	0	0	0	109.2	S179 C188	S179-C205 PolarHBondContact O-SG 3.49Å; C188-C205 HydrophobicContact CB-CB 3.79Å; C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CA 3.33Å; C188-C205 WeakPolarHBondContact SG-CB 3.49Å; C188-C205 CovalentContact SG-SG 2.04Å; C188-C205 PolarHBondContact SG-SG 3.46Å
206	G	91.9	Very high	78.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-78.7	155.7	-178.3	0	0	0	0	0	114	S179 C188 D189 G204 N208 R268	S179-G206 WeakPolarHBondContact CB-O 3.29Å; C188-G206 WeakPolarHBondContact CA-O 3.39Å; C188-G206 WeakPolarHBondContact CB-O 3.35Å; D189-G206 PolarHBondContact N-O 3.2Å; D189-G206 WeakPolarHBondContact O-CA 3.33Å; D189-G206 PolarHBondContact O-N 3.11Å; G204-G206 PolarHBondContact O-N 3.31Å; G206-N208 PolarHBondContact O-N 3.35Å; G206-R268 CarbonylContact C-O 3.57Å; G206-R268 WeakPolarHBondContact CA-O 3.43Å
207	D	95.4	Very high	79.6	Confident	16 Å²	16	80.3 Å²	80.3	9%	0.086	37%	0.371	C	S	.	.			trans	-66.2	125.5	177.3	-70.3	-32.2	0	0	0	111.2	A175 S179 L209 R268 L270	A175-D207 HydrophobicContact CB-CB 4.32Å; S179-D207 PolarHBondContact OG-OD1 3.49Å; D207-L209 PolarHBondContact O-N 3.26Å; D207-R268 PolarHBondContact N-O 3.3Å; D207-L270 HydrophobicContact CB-CD1 4.08Å; D207-L270 HydrophobicContact CB-CG 3.84Å; D207-L270 WeakPolarHBondContact OD2-CB 3.46Å; D207-L270 WeakPolarHBondContact OD2-CG 3.08Å; D207-L270 PolarHBondContact OD2-N 3.01Å
208	N	95.6	Very high	81.5	Confident	21 Å²	21	73.7 Å²	73.7	11%	0.112	35%	0.352	C	S	.	.			trans	-84.7	79.4	-171.7	-164.4	-27.1	0	0	0	113.2	A175 C178 T187 G206 K210 Y211 S212	A175-N208 PolarHBondContact O-N 2.9Å; C178-N208 HydrophobicContact CB-CB 3.77Å; T187-N208 VanDerWaalsContact O-CB 3.3Å; T187-N208 WeakPolarHBondContact O-CB 3.22Å; T187-N208 PolarHBondContact O-ND2 3.45Å; G206-N208 PolarHBondContact O-N 3.35Å; N208-K210 VanDerWaalsContact C-N 3.31Å; N208-K210 PolarHBondContact O-N 2.83Å; N208-K210 PolarHBondContact OD1-N 3.48Å; N208-Y211 WeakPolarHBondContact OD1-CB 3.47Å; N208-Y211 PolarHBondContact OD1-N 3.11Å; N208-S212 WeakPolarHBondContact O-CB 3.34Å; N208-S212 PolarHBondContact O-N 3.01Å; N208-S212 VanDerWaalsContact O-N 3.11Å
209	L	94.5	Very high	83.2	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.11	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-27.9	177.9	-87.6	-176.4	0	0	0	114.6	T171 A175 D207 N213 I244 V248 L270	T171-L209 HydrophobicContact CG2-CD2 3.8Å; A175-L209 HydrophobicContact CB-CD2 4.09Å; A175-L209 HydrophobicContact CB-CG 4.49Å; D207-L209 PolarHBondContact O-N 3.26Å; L209-N213 VanDerWaalsContact O-CB 3.29Å; L209-N213 WeakPolarHBondContact O-CB 3.49Å; L209-N213 PolarHBondContact O-N 3.49Å; L209-N213 PolarHBondContact O-ND2 3.37Å; L209-I244 HydrophobicContact CD2-CG2 3.66Å; L209-V248 HydrophobicContact CD1-CG2 3.13Å; L209-V248 HydrophobicContact CG-CG2 4.43Å; L209-L270 HydrophobicContact CD1-CD2 3.82Å; L209-L270 HydrophobicContact CD2-CD2 3.92Å; L209-L270 HydrophobicContact CG-CD2 3.9Å
210	K	94.1	Very high	85.3	Confident	180 Å²	180	65.3 Å²	65.3	78%	0.783	31%	0.307	S	S	*	.	H	α-helix	trans	-65.3	-49.2	179	-177.6	-179.6	178	-178.4	0	110.3	N208 K214	N208-K210 VanDerWaalsContact C-N 3.31Å; N208-K210 PolarHBondContact O-N 2.83Å; N208-K210 PolarHBondContact OD1-N 3.48Å; K210-K214 PolarHBondContact O-N 3.46Å
211	Y	95.2	Very high	86.6	Confident	50 Å²	50	54.9 Å²	54.9	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-51.4	173.9	174.9	-90.4	0	0	0	110.8	C178 M183 C186 N208 N213 K214 F215	C178-Y211 WeakPolarHBondContact SG-CD1 3.41Å; M183-Y211 HydrophobicContact CE-CD1 4.26Å; M183-Y211 HydrophobicContact CE-CE1 3.62Å; C186-Y211 HydrophobicContact CB-CD1 3.99Å; C186-Y211 HydrophobicContact CB-CD2 3.53Å; C186-Y211 HydrophobicContact CB-CE1 4.14Å; C186-Y211 HydrophobicContact CB-CE2 3.67Å; C186-Y211 HydrophobicContact CB-CG 3.67Å; N208-Y211 WeakPolarHBondContact OD1-CB 3.47Å; N208-Y211 PolarHBondContact OD1-N 3.11Å; Y211-N213 PolarHBondContact O-N 3.43Å; Y211-K214 WeakPolarHBondContact O-CB 3.32Å; Y211-K214 PolarHBondContact O-N 3.39Å; Y211-K214 VanDerWaalsContact O-N 3.12Å; Y211-F215 HydrophobicContact CE1-CB 4.17Å; Y211-F215 PolarHBondContact O-N 2.95Å
212	S	96	Very high	87.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-50.4	-175.9	178	0	0	0	0	112.5	T171 M174 N208 K214 F215 V216	T171-S212 VanDerWaalsContact C-OG 3.26Å; T171-S212 WeakPolarHBondContact CA-OG 3.38Å; T171-S212 WeakPolarHBondContact CG2-OG 3.42Å; T171-S212 WeakPolarHBondContact O-CB 3.12Å; T171-S212 PolarHBondContact O-OG 2.91Å; M174-S212 WeakPolarHBondContact CB-OG 3.44Å; N208-S212 WeakPolarHBondContact O-CB 3.34Å; N208-S212 PolarHBondContact O-N 3.01Å; N208-S212 VanDerWaalsContact O-N 3.11Å; S212-K214 VanDerWaalsContact C-N 3.25Å; S212-K214 PolarHBondContact O-N 3.15Å; S212-F215 PolarHBondContact O-N 3.22Å; S212-F215 VanDerWaalsContact O-N 3.13Å; S212-V216 VanDerWaalsContact O-CG2 3.32Å; S212-V216 WeakPolarHBondContact O-CG2 3.4Å; S212-V216 PolarHBondContact O-N 2.92Å
213	N	94.8	Very high	88.2	Confident	30 Å²	30	55 Å²	55	16%	0.16	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-37.1	177.7	-79.6	-56.2	0	0	0	112.6	L209 Y211 K217	L209-N213 VanDerWaalsContact O-CB 3.29Å; L209-N213 WeakPolarHBondContact O-CB 3.49Å; L209-N213 PolarHBondContact O-N 3.49Å; L209-N213 PolarHBondContact O-ND2 3.37Å; Y211-N213 PolarHBondContact O-N 3.43Å; N213-K217 WeakPolarHBondContact O-CB 3.33Å; N213-K217 WeakPolarHBondContact O-CG 3.44Å; N213-K217 PolarHBondContact O-N 3.32Å; N213-K217 VanDerWaalsContact O-N 3.13Å
214	K	95	Very high	88.2	Confident	144 Å²	144	55.9 Å²	55.9	63%	0.626	28%	0.275	S	S	*	.	H	α-helix	trans	-66.9	-50	175.5	-176.2	-180	177.9	-178.5	0	110.6	K210 Y211 S212 V216 K217 D218	K210-K214 PolarHBondContact O-N 3.46Å; Y211-K214 WeakPolarHBondContact O-CB 3.32Å; Y211-K214 PolarHBondContact O-N 3.39Å; Y211-K214 VanDerWaalsContact O-N 3.12Å; S212-K214 VanDerWaalsContact C-N 3.25Å; S212-K214 PolarHBondContact O-N 3.15Å; K214-V216 PolarHBondContact O-N 2.81Å; K214-K217 PolarHBondContact O-N 2.74Å; K214-D218 WeakPolarHBondContact O-CB 3.37Å; K214-D218 PolarHBondContact O-N 3.15Å
215	F	94.8	Very high	87.7	Confident	18 Å²	18	60.3 Å²	60.3	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-56	-50.7	178.1	-179.3	-84.5	0	0	0	111.3	M108 V115 M174 Y211 S212 K217 D218 F219	M108-F215 HydrophobicContact CE-CD2 4.19Å; M108-F215 HydrophobicContact CE-CE2 4.01Å; M108-F215 HydrophobicContact CE-CZ 4.34Å; V115-F215 HydrophobicContact CG1-CE2 3.99Å; V115-F215 HydrophobicContact CG1-CZ 3.56Å; V115-F215 HydrophobicContact CG2-CE2 4.17Å; V115-F215 HydrophobicContact CG2-CZ 4.49Å; M174-F215 HydrophobicContact CE-CD1 4.34Å; M174-F215 HydrophobicContact CE-CE1 3.71Å; M174-F215 HydrophobicContact CE-CZ 4.11Å; M174-F215 HydrophobicContact CG-CD1 4.01Å; M174-F215 HydrophobicContact CG-CE1 4.31Å; M174-F215 HydrophobicContact SD-CD1 4.02Å; M174-F215 HydrophobicContact SD-CE1 3.92Å; M174-F215 HydrophobicContact SD-CZ 4.33Å; Y211-F215 HydrophobicContact CE1-CB 4.17Å; Y211-F215 PolarHBondContact O-N 2.95Å; S212-F215 PolarHBondContact O-N 3.22Å; S212-F215 VanDerWaalsContact O-N 3.13Å; F215-K217 PolarHBondContact O-N 2.97Å; F215-D218 PolarHBondContact O-N 2.8Å; F215-F219 HydrophobicContact CD1-CB 4.27Å; F215-F219 HydrophobicContact CE1-CB 3.99Å; F215-F219 AromaticContact CE1-CD2 3.96Å; F215-F219 HydrophobicContact CE1-CD2 3.96Å; F215-F219 HydrophobicContact CE1-CG 4Å; F215-F219 AromaticContact CZ-CD2 3.91Å; F215-F219 HydrophobicContact CZ-CD2 3.91Å; F215-F219 HydrophobicContact CZ-CE2 4.47Å; F215-F219 HydrophobicContact CZ-CG 4.4Å; F215-F219 WeakPolarHBondContact O-CB 3.18Å; F215-F219 PolarHBondContact O-N 3.16Å
216	V	93.9	Very high	86.9	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-45.4	-178.3	174.9	0	0	0	0	111.7	L170 S212 K214 D218 F219 L220 M241	L170-V216 HydrophobicContact CB-CG2 4.23Å; L170-V216 HydrophobicContact CD2-CB 4.36Å; L170-V216 HydrophobicContact CD2-CG1 4.05Å; L170-V216 HydrophobicContact CD2-CG2 3.83Å; L170-V216 HydrophobicContact CG-CG2 3.64Å; S212-V216 VanDerWaalsContact O-CG2 3.32Å; S212-V216 WeakPolarHBondContact O-CG2 3.4Å; S212-V216 PolarHBondContact O-N 2.92Å; K214-V216 PolarHBondContact O-N 2.81Å; V216-D218 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.38Å; V216-F219 PolarHBondContact O-N 2.8Å; V216-L220 HydrophobicContact CG1-CD1 3.61Å; V216-L220 HydrophobicContact CG1-CG 4.07Å; V216-L220 WeakPolarHBondContact O-CB 3.37Å; V216-L220 WeakPolarHBondContact O-CG 3.44Å; V216-L220 PolarHBondContact O-N 3.44Å; V216-M241 HydrophobicContact CB-SD 4.18Å; V216-M241 HydrophobicContact CG1-CG 4.37Å; V216-M241 HydrophobicContact CG1-SD 3.67Å
217	K	91.7	Very high	86.6	Confident	125 Å²	125	70.9 Å²	70.9	54%	0.543	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-43.1	176.1	-75.7	175.3	179.7	-178.6	0	112.1	N213 K214 F215 G221 M241	N213-K217 WeakPolarHBondContact O-CB 3.33Å; N213-K217 WeakPolarHBondContact O-CG 3.44Å; N213-K217 PolarHBondContact O-N 3.32Å; N213-K217 VanDerWaalsContact O-N 3.13Å; K214-K217 PolarHBondContact O-N 2.74Å; F215-K217 PolarHBondContact O-N 2.97Å; K217-G221 PolarHBondContact O-N 2.7Å; K217-M241 HydrophobicContact CG-CE 4.05Å; K217-M241 HydrophobicContact CG-SD 4.25Å
218	D	92.3	Very high	86.1	Confident	74 Å²	74	71.2 Å²	71.2	40%	0.396	34%	0.34	S	S	.	.	H	α-helix	trans	-69.7	-36.8	179.2	-72.8	-20.4	0	0	0	112.1	K104 M108 K214 F215 V216	K104-D218 PolarHBondContact NZ-O 3.22Å; M108-D218 HydrophobicContact CE-CB 3.91Å; K214-D218 WeakPolarHBondContact O-CB 3.37Å; K214-D218 PolarHBondContact O-N 3.15Å; F215-D218 PolarHBondContact O-N 2.8Å; V216-D218 VanDerWaalsContact C-N 3.33Å; V216-D218 PolarHBondContact O-N 3.38Å
219	F	92.3	Very high	85.7	Confident	12 Å²	12	72 Å²	72	5%	0.053	34%	0.341	C	S	.	.	H	α-helix	trans	-73.2	-43.1	-178.1	-173	-96.1	0	0	0	112.4	L101 Q105 M108 L119 L170 F215 V216 G221	L101-F219 HydrophobicContact CD2-CE1 4.46Å; L101-F219 HydrophobicContact CD2-CE2 4.49Å; L101-F219 HydrophobicContact CD2-CZ 3.68Å; Q105-F219 HydrophobicContact CB-CD2 4.23Å; Q105-F219 HydrophobicContact CB-CE2 3.72Å; Q105-F219 HydrophobicContact CB-CZ 3.92Å; Q105-F219 HydrophobicContact CG-CD1 4.36Å; Q105-F219 HydrophobicContact CG-CD2 4.14Å; Q105-F219 HydrophobicContact CG-CE1 4.22Å; Q105-F219 HydrophobicContact CG-CE2 4Å; Q105-F219 HydrophobicContact CG-CG 4.32Å; Q105-F219 HydrophobicContact CG-CZ 4.06Å; Q105-F219 WeakPolarHBondContact CG-O 3.4Å; Q105-F219 PolarHBondContact NE2-O 3.31Å; M108-F219 HydrophobicContact CB-CD2 4.11Å; M108-F219 HydrophobicContact CE-CB 3.82Å; M108-F219 HydrophobicContact CE-CD2 4.14Å; M108-F219 HydrophobicContact SD-CB 4.33Å; M108-F219 HydrophobicContact SD-CD2 4.19Å; L119-F219 HydrophobicContact CD1-CE2 4.21Å; L119-F219 HydrophobicContact CD1-CZ 4.07Å; L119-F219 HydrophobicContact CD2-CE1 4.13Å; L119-F219 HydrophobicContact CD2-CE2 4.38Å; L119-F219 HydrophobicContact CD2-CZ 3.82Å; L170-F219 HydrophobicContact CD2-CD1 3.93Å; L170-F219 HydrophobicContact CD2-CE1 4.38Å; F215-F219 HydrophobicContact CD1-CB 4.27Å; F215-F219 HydrophobicContact CE1-CB 3.99Å; F215-F219 AromaticContact CE1-CD2 3.96Å; F215-F219 HydrophobicContact CE1-CD2 3.96Å; F215-F219 HydrophobicContact CE1-CG 4Å; F215-F219 AromaticContact CZ-CD2 3.91Å; F215-F219 HydrophobicContact CZ-CD2 3.91Å; F215-F219 HydrophobicContact CZ-CE2 4.47Å; F215-F219 HydrophobicContact CZ-CG 4.4Å; F215-F219 WeakPolarHBondContact O-CB 3.18Å; F215-F219 PolarHBondContact O-N 3.16Å; V216-F219 PolarHBondContact O-N 2.8Å; F219-G221 VanDerWaalsContact C-N 3.34Å
220	L	87.9	Confident	85.4	Confident	20 Å²	20	71.5 Å²	71.5	11%	0.105	34%	0.34	C	S	.	.	H	α-helix	trans	-77.7	-24.2	176.3	-60.9	-176.6	0	0	0	112.2	L69 L170 V216 T237	L69-L220 HydrophobicContact CB-CD2 3.66Å; L69-L220 HydrophobicContact CD1-CD1 4.09Å; L69-L220 HydrophobicContact CD1-CD2 3.73Å; L69-L220 HydrophobicContact CG-CD2 4.35Å; L170-L220 HydrophobicContact CD2-CD2 4.49Å; V216-L220 HydrophobicContact CG1-CD1 3.61Å; V216-L220 HydrophobicContact CG1-CG 4.07Å; V216-L220 WeakPolarHBondContact O-CB 3.37Å; V216-L220 WeakPolarHBondContact O-CG 3.44Å; V216-L220 PolarHBondContact O-N 3.44Å; L220-T237 HydrophobicContact CD1-CG2 3.41Å; L220-T237 VanDerWaalsContact CD1-CG2 3.41Å
221	G	79.7	Confident	85.1	Confident	21 Å²	21	64.7 Å²	64.7	22%	0.216	31%	0.31	C	S	.	.			trans	71.1	170.7	175.1	0	0	0	0	0	113.8	K217 F219 M234	K217-G221 PolarHBondContact O-N 2.7Å; F219-G221 VanDerWaalsContact C-N 3.34Å; G221-M234 WeakPolarHBondContact O-CE 3.13Å
222	K	71.2	Confident	84.9	Confident	213 Å²	213	62.3 Å²	62.3	93%	0.926	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-87.1	123.3	170.9	-66.1	-176.9	179.6	-178.9	0	108.2
223	R	67.8	Low	84.6	Confident	76 Å²	76	62.6 Å²	62.6	29%	0.287	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-85.2	156.2	170.3	-65.4	-160.4	-178.1	172.8	10.4	110.3	L69 Y163 N225 A230 D233 M234	L69-R223 PolarHBondContact O-NH2 2.82Å; L69-R223 VanDerWaalsContact O-NH2 3.15Å; Y163-R223 PolarHBondContact OH-NH1 2.84Å; Y163-R223 PolarHBondContact OH-NH2 2.92Å; R223-N225 PolarHBondContact O-N 3.02Å; R223-A230 HydrophobicContact CB-CB 4.16Å; R223-D233 IonicContact NH1-OD2 3.76Å; R223-M234 HydrophobicContact CG-CE 4.38Å
224	S	64.8	Low	84.4	Confident	76 Å²	76	63.6 Å²	63.6	53%	0.531	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-54.1	124.7	173.1	179.4	0	0	0	0	109.7	K226 A230	S224-K226 PolarHBondContact O-N 3.09Å; S224-K226 PolarHBondContact OG-N 3.36Å; S224-A230 WeakPolarHBondContact O-CB 3.45Å
225	N	66.3	Low	84.3	Confident	109 Å²	109	57.7 Å²	57.7	58%	0.583	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	1.3	-179.7	-155.6	23.2	0	0	0	112.8	R223 R231	R223-N225 PolarHBondContact O-N 3.02Å; N225-R231 WeakPolarHBondContact OD1-CD 3.34Å; N225-R231 WeakPolarHBondContact OD1-CG 3.33Å
226	K	70.9	Confident	84.3	Confident	195 Å²	195	56.9 Å²	56.9	85%	0.848	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-29.7	-175.5	-62	-173.4	178.1	-172.4	0	113	S224	S224-K226 PolarHBondContact O-N 3.09Å; S224-K226 PolarHBondContact OG-N 3.36Å
227	D	84.2	Confident	84.4	Confident	87 Å²	87	57.3 Å²	57.3	47%	0.465	28%	0.28	S	S	.	.			trans	-96.2	129.3	-177.4	174.4	18	0	0	0	111	R229 A230 R231	D227-R229 PolarHBondContact O-N 2.91Å; D227-R229 PolarHBondContact OD1-N 3.42Å; D227-R229 WeakPolarHBondContact OD2-CB 3.3Å; D227-A230 HydrophobicContact CB-CB 4.06Å; D227-A230 PolarHBondContact O-N 3.47Å; D227-R231 PolarHBondContact O-N 3.25Å; D227-R231 VanDerWaalsContact O-N 3.09Å
228	L	85.6	Confident	84.5	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.12	27%	0.267	C	S	.	.	H	α-helix	trans	-56	-39.6	174.3	176.8	61.1	0	0	0	111.5	R231 V232 I303 I330	L228-R231 WeakPolarHBondContact O-CB 3.3Å; L228-R231 PolarHBondContact O-N 3.08Å; L228-V232 HydrophobicContact CD1-CG2 4.14Å; L228-V232 HydrophobicContact CG-CG2 4.47Å; L228-V232 WeakPolarHBondContact O-CG2 3.5Å; L228-V232 PolarHBondContact O-N 3.19Å; L228-I303 HydrophobicContact CD1-CD1 3.49Å; L228-I303 VanDerWaalsContact CD1-CD1 3.49Å; L228-I303 HydrophobicContact CD2-CD1 4.4Å; L228-I330 HydrophobicContact CD2-CD1 4.43Å; L228-I330 HydrophobicContact CG-CD1 4.07Å
229	R	87.5	Confident	84.7	Confident	37 Å²	37	50.2 Å²	50.2	14%	0.14	25%	0.248	C	C	.	.	H	α-helix	trans	-63.6	-47	179.7	-177.8	69.9	-174.2	111	19.6	111.5	R154 G155 D227 R231 V232 D233 I330	R154-R229 PolarHBondContact O-NH2 3.38Å; G155-R229 VanDerWaalsContact CA-CZ 3.49Å; D227-R229 PolarHBondContact O-N 2.91Å; D227-R229 PolarHBondContact OD1-N 3.42Å; D227-R229 WeakPolarHBondContact OD2-CB 3.3Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 PolarHBondContact O-N 3.4Å; R229-V232 PolarHBondContact O-N 2.97Å; R229-D233 VanDerWaalsContact CZ-CG 3.46Å; R229-D233 IonicContact CZ-OD1 3.73Å; R229-D233 IonicContact CZ-OD2 3.05Å; R229-D233 IonicContact NE-OD1 3.41Å; R229-D233 IonicContact NE-OD2 2.63Å; R229-D233 IonicContact NH1-OD1 4Å; R229-D233 PolarHBondContact NH1-OD1 3.02Å; R229-D233 IonicContact NH1-OD2 3.97Å; R229-D233 VanDerWaalsContact NH2-CG 3.32Å; R229-D233 IonicContact NH2-OD1 2.62Å; R229-D233 PolarHBondContact NH2-OD1 3.38Å; R229-D233 IonicContact NH2-OD2 2.75Å; R229-D233 PolarHBondContact NH2-OD2 3.01Å; R229-D233 VanDerWaalsContact NH2-OD2 3.15Å; R229-D233 WeakPolarHBondContact O-CB 3.38Å; R229-D233 PolarHBondContact O-N 3.43Å; R229-I330 HydrophobicContact CB-CD1 4.07Å
230	A	86.8	Confident	84.9	Confident	11 Å²	11	49.7 Å²	49.7	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-59.6	-39.1	177	0	0	0	0	0	112.4	R223 S224 D227 M234	R223-A230 HydrophobicContact CB-CB 4.16Å; S224-A230 WeakPolarHBondContact O-CB 3.45Å; D227-A230 HydrophobicContact CB-CB 4.06Å; D227-A230 PolarHBondContact O-N 3.47Å; A230-M234 WeakPolarHBondContact O-CB 3.34Å; A230-M234 PolarHBondContact O-N 3.19Å
231	R	87.9	Confident	85.3	Confident	37 Å²	37	49.2 Å²	49.2	14%	0.14	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-49.3	174.9	-85.5	-165.4	-55.1	-170.5	3.4	113	N225 D227 L228 R229 M234 H235 I321	N225-R231 WeakPolarHBondContact OD1-CD 3.34Å; N225-R231 WeakPolarHBondContact OD1-CG 3.33Å; D227-R231 PolarHBondContact O-N 3.25Å; D227-R231 VanDerWaalsContact O-N 3.09Å; L228-R231 WeakPolarHBondContact O-CB 3.3Å; L228-R231 PolarHBondContact O-N 3.08Å; R229-R231 VanDerWaalsContact C-N 3.27Å; R229-R231 PolarHBondContact O-N 3.4Å; R231-M234 PolarHBondContact O-N 2.98Å; R231-H235 PolarHBondContact O-N 3.34Å; R231-I321 HydrophobicContact CB-CD1 3.55Å; R231-I321 HydrophobicContact CB-CG1 4.14Å; R231-I321 HydrophobicContact CG-CD1 4.01Å
232	V	90.6	Very high	86.1	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-44.1	176.9	166.9	0	0	0	0	111.6	L228 R229 M234 H235 N236 V290 L328 I330	L228-V232 HydrophobicContact CD1-CG2 4.14Å; L228-V232 HydrophobicContact CG-CG2 4.47Å; L228-V232 WeakPolarHBondContact O-CG2 3.5Å; L228-V232 PolarHBondContact O-N 3.19Å; R229-V232 PolarHBondContact O-N 2.97Å; V232-M234 VanDerWaalsContact C-N 3.32Å; V232-M234 PolarHBondContact O-N 3.47Å; V232-H235 WeakPolarHBondContact O-CB 3.35Å; V232-H235 PolarHBondContact O-N 3.47Å; V232-N236 PolarHBondContact O-N 2.94Å; V232-N236 PolarHBondContact O-ND2 3.36Å; V232-N236 VanDerWaalsContact O-ND2 3.17Å; V232-V290 HydrophobicContact CG2-CG2 3.5Å; V232-V290 VanDerWaalsContact CG2-CG2 3.5Å; V232-L328 HydrophobicContact CG1-CB 3.94Å; V232-L328 VanDerWaalsContact CG1-O 3.23Å; V232-L328 WeakPolarHBondContact CG1-O 3.31Å; V232-L328 HydrophobicContact CG2-CB 4.46Å; V232-I330 HydrophobicContact CB-CD1 4.13Å; V232-I330 HydrophobicContact CB-CG1 4.41Å; V232-I330 HydrophobicContact CG1-CD1 4.45Å; V232-I330 HydrophobicContact CG1-CG1 4.37Å; V232-I330 HydrophobicContact CG2-CD1 3.97Å; V232-I330 HydrophobicContact CG2-CG1 3.98Å
233	D	90.9	Very high	87.3	Confident	5 Å²	5	43 Å²	43	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-40.1	176.9	-78.6	-17.1	0	0	0	112.4	Y163 R223 R229 T237	Y163-D233 HydrophobicContact CD1-CB 4.24Å; Y163-D233 HydrophobicContact CD2-CB 4.43Å; Y163-D233 WeakPolarHBondContact CD2-OD1 3.37Å; Y163-D233 HydrophobicContact CE1-CB 3.95Å; Y163-D233 HydrophobicContact CE2-CB 4.14Å; Y163-D233 WeakPolarHBondContact CE2-OD1 3.39Å; Y163-D233 WeakPolarHBondContact CE2-OD2 3.37Å; Y163-D233 HydrophobicContact CG-CB 4.47Å; Y163-D233 VanDerWaalsContact CZ-OD2 3.25Å; Y163-D233 PolarHBondContact OH-OD2 2.81Å; R223-D233 IonicContact NH1-OD2 3.76Å; R229-D233 VanDerWaalsContact CZ-CG 3.46Å; R229-D233 IonicContact CZ-OD1 3.73Å; R229-D233 IonicContact CZ-OD2 3.05Å; R229-D233 IonicContact NE-OD1 3.41Å; R229-D233 IonicContact NE-OD2 2.63Å; R229-D233 IonicContact NH1-OD1 4Å; R229-D233 PolarHBondContact NH1-OD1 3.02Å; R229-D233 IonicContact NH1-OD2 3.97Å; R229-D233 VanDerWaalsContact NH2-CG 3.32Å; R229-D233 IonicContact NH2-OD1 2.62Å; R229-D233 PolarHBondContact NH2-OD1 3.38Å; R229-D233 IonicContact NH2-OD2 2.75Å; R229-D233 PolarHBondContact NH2-OD2 3.01Å; R229-D233 VanDerWaalsContact NH2-OD2 3.15Å; R229-D233 WeakPolarHBondContact O-CB 3.38Å; R229-D233 PolarHBondContact O-N 3.43Å; D233-T237 WeakPolarHBondContact O-CB 3.45Å; D233-T237 PolarHBondContact O-N 3.3Å; D233-T237 PolarHBondContact O-OG1 3.09Å
234	M	90.6	Very high	88.7	Confident	52 Å²	52	39.5 Å²	39.5	26%	0.256	20%	0.197	S	C	.	.	H	α-helix	trans	-66.2	-41.1	175.4	-175.3	57.4	65.8	0	0	111.5	G221 R223 A230 R231 V232 T237 N238	G221-M234 WeakPolarHBondContact O-CE 3.13Å; R223-M234 HydrophobicContact CG-CE 4.38Å; A230-M234 WeakPolarHBondContact O-CB 3.34Å; A230-M234 PolarHBondContact O-N 3.19Å; R231-M234 PolarHBondContact O-N 2.98Å; V232-M234 VanDerWaalsContact C-N 3.32Å; V232-M234 PolarHBondContact O-N 3.47Å; M234-T237 WeakPolarHBondContact O-CB 3.14Å; M234-T237 PolarHBondContact O-N 2.82Å; M234-N238 WeakPolarHBondContact O-CB 2.67Å; M234-N238 VanDerWaalsContact O-CG 3.24Å; M234-N238 PolarHBondContact O-N 3.33Å; M234-N238 PolarHBondContact O-ND2 2.83Å; M234-N238 VanDerWaalsContact O-ND2 3.08Å
235	H	92.8	Very high	90.1	Very high	20 Å²	20	42.7 Å²	42.7	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-57.5	-52.9	173.8	175.2	84.5	0	0	0	111.4	R231 V232 T237 N238 V239 I321 T324 D326 L328	R231-H235 PolarHBondContact O-N 3.34Å; V232-H235 WeakPolarHBondContact O-CB 3.35Å; V232-H235 PolarHBondContact O-N 3.47Å; H235-T237 VanDerWaalsContact C-N 3.3Å; H235-T237 PolarHBondContact O-N 2.92Å; H235-N238 CarbonylContact O-C 3.52Å; H235-N238 WeakPolarHBondContact O-CA 3.18Å; H235-N238 WeakPolarHBondContact O-CB 3.32Å; H235-N238 PolarHBondContact O-N 3.03Å; H235-V239 WeakPolarHBondContact O-CG2 3.21Å; H235-V239 PolarHBondContact O-N 3.21Å; H235-I321 HydrophobicContact CB-CG2 4.22Å; H235-T324 PolarHBondContact CE1-O 3.49Å; H235-T324 VanDerWaalsContact CE1-O 3.23Å; H235-D326 PolarHBondContact NE2-O 3.43Å; H235-L328 HydrophobicContact CB-CD1 4.28Å; H235-L328 VanDerWaalsContact CD2-CD1 3.44Å; H235-L328 WeakPolarHBondContact CD2-CD1 3.38Å; H235-L328 VanDerWaalsContact CD2-CG 3.47Å; H235-L328 WeakPolarHBondContact CD2-CG 3.39Å
236	N	95.4	Very high	91.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-39.9	180	-67.3	-33.3	0	0	0	112.1	A160 A164 V232 N238 V239 G240 L327 L328	A160-N236 WeakPolarHBondContact CA-ND2 3.38Å; A160-N236 VanDerWaalsContact CB-ND2 3.28Å; A160-N236 WeakPolarHBondContact CB-ND2 3.37Å; A164-N236 WeakPolarHBondContact CA-O 3.47Å; A164-N236 WeakPolarHBondContact CB-O 2.86Å; V232-N236 PolarHBondContact O-N 2.94Å; V232-N236 PolarHBondContact O-ND2 3.36Å; V232-N236 VanDerWaalsContact O-ND2 3.17Å; N236-N238 VanDerWaalsContact C-N 3.33Å; N236-N238 PolarHBondContact O-N 3.11Å; N236-V239 PolarHBondContact O-N 2.98Å; N236-G240 PolarHBondContact O-N 3.39Å; N236-G240 VanDerWaalsContact O-N 3.08Å; N236-L327 HydrophobicContact CB-CD2 4.33Å; N236-L327 WeakPolarHBondContact OD1-CA 3.38Å; N236-L328 PolarHBondContact ND2-O 2.87Å; N236-L328 PolarHBondContact OD1-N 2.89Å
237	T	94.8	Very high	92.5	Very high	10 Å²	10	32 Å²	32	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-57.7	-46.2	172.4	-63.1	0	0	0	0	111.2	S167 L220 D233 M234 H235 G240 M241	S167-T237 WeakPolarHBondContact CB-O 3.06Å; S167-T237 PolarHBondContact OG-O 3.29Å; L220-T237 HydrophobicContact CD1-CG2 3.41Å; L220-T237 VanDerWaalsContact CD1-CG2 3.41Å; D233-T237 WeakPolarHBondContact O-CB 3.45Å; D233-T237 PolarHBondContact O-N 3.3Å; D233-T237 PolarHBondContact O-OG1 3.09Å; M234-T237 WeakPolarHBondContact O-CB 3.14Å; M234-T237 PolarHBondContact O-N 2.82Å; H235-T237 VanDerWaalsContact C-N 3.3Å; H235-T237 PolarHBondContact O-N 2.92Å; T237-G240 PolarHBondContact O-N 2.83Å; T237-M241 PolarHBondContact O-N 2.72Å
238	N	94.3	Very high	92.9	Very high	50 Å²	50	29.8 Å²	29.8	27%	0.267	16%	0.155	S	C	.	.	H	α-helix	trans	-67.4	-38	178.6	-72.4	-37.5	0	0	0	112.5	M234 H235 N236 G240 M241 K242	M234-N238 WeakPolarHBondContact O-CB 2.67Å; M234-N238 VanDerWaalsContact O-CG 3.24Å; M234-N238 PolarHBondContact O-N 3.33Å; M234-N238 PolarHBondContact O-ND2 2.83Å; M234-N238 VanDerWaalsContact O-ND2 3.08Å; H235-N238 CarbonylContact O-C 3.52Å; H235-N238 WeakPolarHBondContact O-CA 3.18Å; H235-N238 WeakPolarHBondContact O-CB 3.32Å; H235-N238 PolarHBondContact O-N 3.03Å; N236-N238 VanDerWaalsContact C-N 3.33Å; N236-N238 PolarHBondContact O-N 3.11Å; N238-G240 VanDerWaalsContact C-N 3.31Å; N238-G240 PolarHBondContact O-N 2.84Å; N238-M241 PolarHBondContact O-N 3.16Å; N238-M241 WeakPolarHBondContact OD1-CE 3.45Å; N238-K242 WeakPolarHBondContact O-CB 3.49Å; N238-K242 VanDerWaalsContact O-CG 3.26Å; N238-K242 WeakPolarHBondContact O-CG 3.41Å; N238-K242 PolarHBondContact O-N 2.83Å
239	V	96.7	Very high	93.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58	-46.3	173.6	171.6	0	0	0	0	110.1	H235 N236 M241 K242 V243 M325 L327	H235-V239 WeakPolarHBondContact O-CG2 3.21Å; H235-V239 PolarHBondContact O-N 3.21Å; N236-V239 PolarHBondContact O-N 2.98Å; V239-M241 PolarHBondContact O-N 3.49Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.15Å; V239-V243 HydrophobicContact CG1-CG2 4.28Å; V239-V243 WeakPolarHBondContact O-CG2 3.28Å; V239-V243 PolarHBondContact O-N 2.98Å; V239-M325 VanDerWaalsContact CG1-O 3.31Å; V239-M325 WeakPolarHBondContact CG1-O 3.21Å; V239-L327 HydrophobicContact CB-CD2 4.01Å; V239-L327 HydrophobicContact CG1-CD2 3.73Å
240	G	96.5	Very high	93.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.4	-49.8	175.8	0	0	0	0	0	113.6	A164 N236 T237 N238 K242 V243 I244	A164-G240 WeakPolarHBondContact O-CA 3.36Å; N236-G240 PolarHBondContact O-N 3.39Å; N236-G240 VanDerWaalsContact O-N 3.08Å; T237-G240 PolarHBondContact O-N 2.83Å; N238-G240 VanDerWaalsContact C-N 3.31Å; N238-G240 PolarHBondContact O-N 2.84Å; G240-K242 VanDerWaalsContact C-N 3.34Å; G240-K242 PolarHBondContact O-N 3.48Å; G240-V243 PolarHBondContact O-N 2.97Å; G240-I244 WeakPolarHBondContact O-CG1 3.44Å; G240-I244 PolarHBondContact O-N 3.1Å
241	M	95.7	Very high	93.3	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.049	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-37.7	177	-62.6	-169.3	-61.9	0	0	112.8	V216 K217 T237 N238 V239 I244 K245	V216-M241 HydrophobicContact CB-SD 4.18Å; V216-M241 HydrophobicContact CG1-CG 4.37Å; V216-M241 HydrophobicContact CG1-SD 3.67Å; K217-M241 HydrophobicContact CG-CE 4.05Å; K217-M241 HydrophobicContact CG-SD 4.25Å; T237-M241 PolarHBondContact O-N 2.72Å; N238-M241 PolarHBondContact O-N 3.16Å; N238-M241 WeakPolarHBondContact OD1-CE 3.45Å; V239-M241 PolarHBondContact O-N 3.49Å; M241-I244 PolarHBondContact O-N 3.16Å; M241-K245 PolarHBondContact O-N 3.35Å
242	K	96.3	Very high	93.3	Very high	105 Å²	105	38.7 Å²	38.7	46%	0.457	21%	0.211	S	C	.	.	H	α-helix	trans	-68.8	-37.7	178.8	-73.9	176.1	-175	178.1	0	112.1	N238 V239 G240 I244 K245 A246 M325	N238-K242 WeakPolarHBondContact O-CB 3.49Å; N238-K242 VanDerWaalsContact O-CG 3.26Å; N238-K242 WeakPolarHBondContact O-CG 3.41Å; N238-K242 PolarHBondContact O-N 2.83Å; V239-K242 PolarHBondContact O-N 3.48Å; V239-K242 VanDerWaalsContact O-N 3.15Å; G240-K242 VanDerWaalsContact C-N 3.34Å; G240-K242 PolarHBondContact O-N 3.48Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-K245 PolarHBondContact O-N 2.97Å; K242-A246 WeakPolarHBondContact O-CB 3.21Å; K242-A246 PolarHBondContact O-N 3.16Å; K242-M325 HydrophobicContact CB-CE 3.44Å; K242-M325 VanDerWaalsContact CB-CE 3.44Å; K242-M325 HydrophobicContact CB-SD 4.4Å; K242-M325 HydrophobicContact CD-CE 3.69Å; K242-M325 HydrophobicContact CD-SD 3.5Å; K242-M325 WeakPolarHBondContact CD-SD 3.49Å; K242-M325 HydrophobicContact CG-CE 4.24Å
243	V	97.4	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-42.9	175.7	170.3	0	0	0	0	110.6	V239 G240 K245 A246 G247 I276 Q279 L280	V239-V243 HydrophobicContact CG1-CG2 4.28Å; V239-V243 WeakPolarHBondContact O-CG2 3.28Å; V239-V243 PolarHBondContact O-N 2.98Å; G240-V243 PolarHBondContact O-N 2.97Å; V243-K245 PolarHBondContact O-N 3.26Å; V243-A246 PolarHBondContact O-N 3.27Å; V243-G247 PolarHBondContact O-N 3.34Å; V243-I276 HydrophobicContact CG1-CD1 4.4Å; V243-I276 HydrophobicContact CG1-CG2 3.95Å; V243-Q279 HydrophobicContact CG1-CB 3.89Å; V243-L280 HydrophobicContact CB-CD2 4.15Å; V243-L280 HydrophobicContact CG1-CD2 4.31Å; V243-L280 HydrophobicContact CG1-CG 4.31Å; V243-L280 HydrophobicContact CG2-CD2 3.89Å
244	I	96.2	Very high	93	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-58.1	-47.9	172.7	-68	-68.7	0	0	0	111.3	A168 T171 H172 L209 G240 M241 K242 A246 G247 L270 F273 I276	A168-I244 HydrophobicContact CB-CD1 3.99Å; A168-I244 HydrophobicContact CB-CG1 3.67Å; T171-I244 HydrophobicContact CG2-CB 4.43Å; T171-I244 HydrophobicContact CG2-CG2 3.88Å; H172-I244 HydrophobicContact CB-CD1 4.01Å; L209-I244 HydrophobicContact CD2-CG2 3.66Å; G240-I244 WeakPolarHBondContact O-CG1 3.44Å; G240-I244 PolarHBondContact O-N 3.1Å; M241-I244 PolarHBondContact O-N 3.16Å; K242-I244 VanDerWaalsContact C-N 3.34Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 3.18Å; I244-G247 PolarHBondContact O-N 2.71Å; I244-L270 HydrophobicContact CG2-CD2 3.82Å; I244-F273 HydrophobicContact CD1-CE2 4.4Å; I244-I276 HydrophobicContact CD1-CB 4.17Å; I244-I276 HydrophobicContact CD1-CD1 4.08Å; I244-I276 HydrophobicContact CD1-CG1 3.75Å; I244-I276 HydrophobicContact CD1-CG2 3.49Å; I244-I276 VanDerWaalsContact CD1-CG2 3.49Å; I244-I276 HydrophobicContact CG1-CG2 4.19Å
245	K	94.9	Very high	92.7	Very high	143 Å²	143	48.6 Å²	48.6	62%	0.622	26%	0.258	S	S	*	.	H	α-helix	trans	-62.6	-35.5	179.5	-174.1	-178.9	177.2	-173.6	0	112.5	M241 K242 V243 V248	M241-K245 PolarHBondContact O-N 3.35Å; K242-K245 PolarHBondContact O-N 2.97Å; V243-K245 PolarHBondContact O-N 3.26Å; K245-V248 WeakPolarHBondContact O-CG2 3.49Å
246	A	94.8	Very high	92.4	Very high	75 Å²	75	48.3 Å²	48.3	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-74.1	-29.8	178.9	0	0	0	0	0	112.7	K242 V243 I244 V248	K242-A246 WeakPolarHBondContact O-CB 3.21Å; K242-A246 PolarHBondContact O-N 3.16Å; V243-A246 PolarHBondContact O-N 3.27Å; I244-A246 VanDerWaalsContact C-N 3.28Å; I244-A246 PolarHBondContact O-N 3.18Å; A246-V248 VanDerWaalsContact C-N 3.26Å; A246-V248 PolarHBondContact O-N 3.33Å
247	G	93.1	Very high	92.2	Very high	5 Å²	5	54.2 Å²	54.2	5%	0.052	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	34.8	175.6	0	0	0	0	0	113.9	V243 I244 S271	V243-G247 PolarHBondContact O-N 3.34Å; I244-G247 PolarHBondContact O-N 2.71Å; G247-S271 WeakPolarHBondContact O-CB 3.29Å; G247-S271 PolarHBondContact O-N 3.06Å; G247-S271 PolarHBondContact O-OG 2.98Å
248	V	92.8	Very high	92	Very high	41 Å²	41	60 Å²	60	25%	0.248	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	128	173	179.7	0	0	0	0	108	L209 K245 A246 R268 L270	L209-V248 HydrophobicContact CD1-CG2 3.13Å; L209-V248 HydrophobicContact CG-CG2 4.43Å; K245-V248 WeakPolarHBondContact O-CG2 3.49Å; A246-V248 VanDerWaalsContact C-N 3.26Å; A246-V248 PolarHBondContact O-N 3.33Å; V248-R268 HydrophobicContact CG1-CB 3.93Å; V248-R268 HydrophobicContact CG1-CG 4.21Å; V248-L270 HydrophobicContact CG2-CD2 3.92Å
249	E	91	Very high	91.5	Very high	121 Å²	121	60.4 Å²	60.4	57%	0.565	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.2	179.9	-68	175.4	-172.9	0	0	110.2	T251 Q269	E249-T251 PolarHBondContact O-N 3.06Å; E249-Q269 PolarHBondContact N-O 2.87Å; E249-Q269 PolarHBondContact O-N 3.46Å
250	T	89.1	Confident	91.1	Very high	74 Å²	74	62.5 Å²	62.5	45%	0.454	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	116.9	171.2	-59.5	0	0	0	0	108.3	L194 C266 W267	L194-T250 HydrophobicContact CD1-CG2 4.07Å; L194-T250 HydrophobicContact CD2-CG2 4.04Å; T250-C266 HydrophobicContact CG2-CB 3.85Å; T250-W267 WeakPolarHBondContact CA-O 3.26Å
251	T	88.3	Confident	90.7	Very high	46 Å²	46	66 Å²	66	28%	0.282	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.4	174.9	-62.9	0	0	0	0	109.4	E249 C266 W267 Q269	E249-T251 PolarHBondContact O-N 3.06Å; T251-C266 CarbonylContact O-C 3.53Å; T251-C266 VanDerWaalsContact O-CA 3.26Å; T251-C266 WeakPolarHBondContact O-CA 3.47Å; T251-W267 HydrophobicContact CG2-CZ2 4.05Å; T251-W267 PolarHBondContact N-O 2.96Å; T251-W267 PolarHBondContact O-N 2.93Å; T251-Q269 PolarHBondContact OG1-OE1 2.67Å
252	C	86.9	Confident	90.2	Very high	53 Å²	53	71.3 Å²	71.3	36%	0.358	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.4	-178.8	-57.1	0	0	0	0	111.2	T265 C266	C252-T265 CarbonylContact C-O 3.46Å; C252-T265 VanDerWaalsContact CA-O 3.31Å; C252-T265 WeakPolarHBondContact CA-O 3.49Å; C252-C266 HydrophobicContact CB-CB 4.09Å; C252-C266 WeakPolarHBondContact CB-SG 3.23Å; C252-C266 WeakPolarHBondContact SG-CB 3.43Å; C252-C266 CovalentContact SG-SG 2.04Å; C252-C266 PolarHBondContact SG-SG 3.15Å
253	K	87.4	Confident	89.6	Confident	121 Å²	121	68.6 Å²	68.6	53%	0.526	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.8	170.4	-176.5	175.6	179.9	178.5	0	110.2	H255 Q264 T265 W267	K253-H255 PolarHBondContact O-CD2 2.84Å; K253-H255 VanDerWaalsContact O-CD2 3.22Å; K253-Q264 CarbonylContact O-C 3.57Å; K253-Q264 WeakPolarHBondContact O-CA 3.32Å; K253-Q264 WeakPolarHBondContact O-CB 3.5Å; K253-T265 PolarHBondContact N-O 3.3Å; K253-T265 PolarHBondContact O-N 3.28Å; K253-W267 HydrophobicContact CB-CH2 3.8Å; K253-W267 HydrophobicContact CB-CZ3 3.86Å
254	C	87.4	Confident	88.9	Confident	40 Å²	40	72.3 Å²	72.3	27%	0.27	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.9	179.6	-57.8	0	0	0	0	111.4	C261	C254-C261 HydrophobicContact CB-CB 3.79Å; C254-C261 WeakPolarHBondContact CB-SG 3.35Å; C254-C261 WeakPolarHBondContact SG-CB 3.13Å; C254-C261 CovalentContact SG-SG 2.02Å; C254-C261 PolarHBondContact SG-SG 2.78Å
255	H	85.4	Confident	88.3	Confident	105 Å²	105	73 Å²	73	49%	0.486	44%	0.438	S	S	.	.			trans	-124.6	6.9	-172.5	-68.8	-75.9	0	0	0	113.8	K253 V263	K253-H255 PolarHBondContact O-CD2 2.84Å; K253-H255 VanDerWaalsContact O-CD2 3.22Å; H255-V263 PolarHBondContact N-O 3.17Å
256	G	85.1	Confident	87.9	Confident	14 Å²	14	66.9 Å²	66.9	14%	0.144	41%	0.414	C	S	.	.	S	Bend	trans	-75.2	165	-180	0	0	0	0	0	113.9	S258 G259 S260	G256-S258 PolarHBondContact O-N 3.43Å; G256-G259 PolarHBondContact O-N 3.36Å; G256-S260 WeakPolarHBondContact CA-O 3.38Å; G256-S260 VanDerWaalsContact CA-OG 3.28Å; G256-S260 WeakPolarHBondContact CA-OG 3.19Å; G256-S260 PolarHBondContact N-O 2.86Å; G256-S260 PolarHBondContact O-N 3.44Å
257	V	91.8	Very high	87.7	Confident	124 Å²	124	66 Å²	66	75%	0.752	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-52.2	134.7	177.7	-178	0	0	0	0	109.7	G259 S260	V257-G259 PolarHBondContact O-N 3.39Å; V257-G259 VanDerWaalsContact O-N 3.17Å; V257-S260 PolarHBondContact N-OG 3.23Å; V257-S260 WeakPolarHBondContact O-CB 3.32Å; V257-S260 PolarHBondContact O-N 3.07Å; V257-S260 PolarHBondContact O-OG 3.22Å
258	S	90.3	Very high	87.5	Confident	131 Å²	131	69.3 Å²	69.3	92%	0.916	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	56.1	25.7	-177.6	-55.6	0	0	0	0	115.2	G256	G256-S258 PolarHBondContact O-N 3.43Å
259	G	85.4	Confident	87.5	Confident	59 Å²	59	70.5 Å²	70.5	61%	0.608	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	85.5	13.9	178.9	0	0	0	0	0	114.5	G256 V257	G256-G259 PolarHBondContact O-N 3.36Å; V257-G259 PolarHBondContact O-N 3.39Å; V257-G259 VanDerWaalsContact O-N 3.17Å
260	S	88.4	Confident	87.8	Confident	45 Å²	45	65.1 Å²	65.1	32%	0.315	38%	0.383	S	S	.	.			trans	-66.3	151.6	174.9	53.4	0	0	0	0	112.7	G256 V257	G256-S260 WeakPolarHBondContact CA-O 3.38Å; G256-S260 VanDerWaalsContact CA-OG 3.28Å; G256-S260 WeakPolarHBondContact CA-OG 3.19Å; G256-S260 PolarHBondContact N-O 2.86Å; G256-S260 PolarHBondContact O-N 3.44Å; V257-S260 PolarHBondContact N-OG 3.23Å; V257-S260 WeakPolarHBondContact O-CB 3.32Å; V257-S260 PolarHBondContact O-N 3.07Å; V257-S260 PolarHBondContact O-OG 3.22Å
261	C	87.2	Confident	88.1	Confident	74 Å²	74	62 Å²	62	50%	0.5	36%	0.364	S	S	.	.	S	Bend	trans	-96.9	22.9	-179.8	-59.3	0	0	0	0	113.8	C254 V263	C254-C261 HydrophobicContact CB-CB 3.79Å; C254-C261 WeakPolarHBondContact CB-SG 3.35Å; C254-C261 WeakPolarHBondContact SG-CB 3.13Å; C254-C261 CovalentContact SG-SG 2.02Å; C254-C261 PolarHBondContact SG-SG 2.78Å; C261-V263 PolarHBondContact O-N 2.63Å
262	T	85.9	Confident	88.5	Confident	120 Å²	120	63.9 Å²	63.9	74%	0.736	38%	0.377	S	S	*	.	S	Bend	trans	-61.1	-36.2	177.2	49.3	0	0	0	0	112.2
263	V	83.1	Confident	89	Confident	49 Å²	49	62.1 Å²	62.1	30%	0.297	36%	0.364	S	S	.	.	S	Bend	trans	-118.3	129.8	164.3	-178.9	0	0	0	0	107.2	H255 C261	H255-V263 PolarHBondContact N-O 3.17Å; C261-V263 PolarHBondContact O-N 2.63Å
264	Q	82.8	Confident	89.5	Confident	78 Å²	78	59.6 Å²	59.6	36%	0.364	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	151.5	175.1	64.2	177.5	-4.4	0	0	110.3	Q201 K253	Q201-Q264 PolarHBondContact NE2-O 2.93Å; Q201-Q264 PolarHBondContact OE1-O 2.78Å; K253-Q264 CarbonylContact O-C 3.57Å; K253-Q264 WeakPolarHBondContact O-CA 3.32Å; K253-Q264 WeakPolarHBondContact O-CB 3.5Å
265	T	84	Confident	90	Very high	14 Å²	14	61.4 Å²	61.4	9%	0.086	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127.1	173.9	-63.8	0	0	0	0	108.1	W202 C252 K253 W267	W202-T265 WeakPolarHBondContact O-CG2 3.2Å; W202-T265 PolarHBondContact O-OG1 3.37Å; C252-T265 CarbonylContact C-O 3.46Å; C252-T265 VanDerWaalsContact CA-O 3.31Å; C252-T265 WeakPolarHBondContact CA-O 3.49Å; K253-T265 PolarHBondContact N-O 3.3Å; K253-T265 PolarHBondContact O-N 3.28Å; T265-W267 HydrophobicContact CG2-CE3 4.32Å; T265-W267 HydrophobicContact CG2-CZ3 4.48Å; T265-W267 WeakPolarHBondContact O-CZ3 3.31Å
266	C	85.9	Confident	90.6	Very high	16 Å²	16	56.5 Å²	56.5	11%	0.108	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.1	-180	-57.7	0	0	0	0	111.8	L194 N196 T250 T251 C252	L194-C266 HydrophobicContact CD1-CB 4.36Å; N196-C266 PolarHBondContact OD1-N 3.33Å; T250-C266 HydrophobicContact CG2-CB 3.85Å; T251-C266 CarbonylContact O-C 3.53Å; T251-C266 VanDerWaalsContact O-CA 3.26Å; T251-C266 WeakPolarHBondContact O-CA 3.47Å; C252-C266 HydrophobicContact CB-CB 4.09Å; C252-C266 WeakPolarHBondContact CB-SG 3.23Å; C252-C266 WeakPolarHBondContact SG-CB 3.43Å; C252-C266 CovalentContact SG-SG 2.04Å; C252-C266 PolarHBondContact SG-SG 3.15Å
267	W	89.4	Confident	91.2	Very high	56 Å²	56	55.8 Å²	55.8	21%	0.212	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.6	173.3	59.7	92.3	0	0	0	111.1	T250 T251 K253 T265	T250-W267 WeakPolarHBondContact CA-O 3.26Å; T251-W267 HydrophobicContact CG2-CZ2 4.05Å; T251-W267 PolarHBondContact N-O 2.96Å; T251-W267 PolarHBondContact O-N 2.93Å; K253-W267 HydrophobicContact CB-CH2 3.8Å; K253-W267 HydrophobicContact CB-CZ3 3.86Å; T265-W267 HydrophobicContact CG2-CE3 4.32Å; T265-W267 HydrophobicContact CG2-CZ3 4.48Å; T265-W267 WeakPolarHBondContact O-CZ3 3.31Å
268	R	90.5	Very high	91.5	Very high	74 Å²	74	54.7 Å²	54.7	28%	0.279	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.9	172.6	-73.8	-178.6	164.2	122.9	5	110.2	A191 D193 G206 D207 V248	A191-R268 HydrophobicContact CB-CG 4.26Å; D193-R268 IonicContact OD1-CZ 3.53Å; D193-R268 IonicContact OD1-NH1 3.74Å; D193-R268 PolarHBondContact OD1-NH1 3.39Å; D193-R268 IonicContact OD1-NH2 3.55Å; D193-R268 IonicContact OD2-CZ 3.41Å; D193-R268 IonicContact OD2-NH1 3.62Å; D193-R268 PolarHBondContact OD2-NH1 3.21Å; D193-R268 IonicContact OD2-NH2 2.64Å; D193-R268 PolarHBondContact OD2-NH2 3.04Å; G206-R268 CarbonylContact C-O 3.57Å; G206-R268 WeakPolarHBondContact CA-O 3.43Å; D207-R268 PolarHBondContact N-O 3.3Å; V248-R268 HydrophobicContact CG1-CB 3.93Å; V248-R268 HydrophobicContact CG1-CG 4.21Å
269	Q	93	Very high	91.9	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.313	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.7	179.5	-170.1	168	19.5	0	0	110.4	E249 T251	E249-Q269 PolarHBondContact N-O 2.87Å; E249-Q269 PolarHBondContact O-N 3.46Å; T251-Q269 PolarHBondContact OG1-OE1 2.67Å
270	L	95.7	Very high	92.5	Very high	8 Å²	8	48 Å²	48	4%	0.042	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.2	173.1	-67.4	174.9	0	0	0	111.2	H172 A175 K176 D207 L209 I244 V248	H172-L270 HydrophobicContact CB-CD1 4.48Å; A175-L270 HydrophobicContact CB-CD1 3.75Å; K176-L270 HydrophobicContact CG-CD1 4.28Å; D207-L270 HydrophobicContact CB-CD1 4.08Å; D207-L270 HydrophobicContact CB-CG 3.84Å; D207-L270 WeakPolarHBondContact OD2-CB 3.46Å; D207-L270 WeakPolarHBondContact OD2-CG 3.08Å; D207-L270 PolarHBondContact OD2-N 3.01Å; L209-L270 HydrophobicContact CD1-CD2 3.82Å; L209-L270 HydrophobicContact CD2-CD2 3.92Å; L209-L270 HydrophobicContact CG-CD2 3.9Å; I244-L270 HydrophobicContact CG2-CD2 3.82Å; V248-L270 HydrophobicContact CG2-CD2 3.92Å
271	S	96.5	Very high	93	Very high	8 Å²	8	47 Å²	47	6%	0.056	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-52.6	153.8	168.1	-62.3	0	0	0	0	111.4	H172 G247 F273	H172-S271 PolarHBondContact NE2-O 3Å; G247-S271 WeakPolarHBondContact O-CB 3.29Å; G247-S271 PolarHBondContact O-N 3.06Å; G247-S271 PolarHBondContact O-OG 2.98Å; S271-F273 PolarHBondContact O-N 3.22Å
272	P	96.8	Very high	93.5	Very high	85 Å²	85	48.9 Å²	48.9	55%	0.552	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-51.4	137.3	168.5	-25	34.5	0	0	0	110.8	H274 E275	P272-H274 PolarHBondContact O-N 2.95Å; P272-H274 VanDerWaalsContact O-N 3.08Å; P272-E275 PolarHBondContact O-N 3.48Å
273	F	97.6	Very high	94.1	Very high	17 Å²	17	45.4 Å²	45.4	8%	0.075	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-25.4	-174.6	-167.1	-109.8	0	0	0	112.9	M125 E129 V165 A168 G169 H172 I244 S271 E275 I276 G277	M125-F273 HydrophobicContact CG-CB 4.29Å; M125-F273 HydrophobicContact CG-CD1 3.5Å; M125-F273 VanDerWaalsContact CG-CD1 3.5Å; M125-F273 HydrophobicContact CG-CE1 3.88Å; M125-F273 HydrophobicContact CG-CG 3.87Å; M125-F273 HydrophobicContact SD-CB 3.86Å; M125-F273 HydrophobicContact SD-CD1 3.87Å; M125-F273 HydrophobicContact SD-CD2 3.87Å; M125-F273 HydrophobicContact SD-CE1 4.35Å; M125-F273 HydrophobicContact SD-CE2 4.4Å; M125-F273 HydrophobicContact SD-CG 3.58Å; M125-F273 VanDerWaalsContact SD-CG 3.58Å; E129-F273 HydrophobicContact CB-CD1 3.78Å; E129-F273 HydrophobicContact CB-CE1 3.56Å; E129-F273 HydrophobicContact CG-CD1 3.92Å; E129-F273 HydrophobicContact CG-CE1 3.84Å; V165-F273 HydrophobicContact CG2-CE1 4.32Å; V165-F273 HydrophobicContact CG2-CZ 4.12Å; A168-F273 HydrophobicContact CB-CE2 4.25Å; G169-F273 VanDerWaalsContact CA-CE2 3.42Å; H172-F273 HydrophobicContact CB-CD2 4.02Å; H172-F273 HydrophobicContact CB-CE2 4.23Å; H172-F273 AromaticContact CD2-CD2 3.97Å; H172-F273 AromaticContact CG-CD2 3.88Å; I244-F273 HydrophobicContact CD1-CE2 4.4Å; S271-F273 PolarHBondContact O-N 3.22Å; F273-E275 VanDerWaalsContact C-N 3.34Å; F273-E275 PolarHBondContact O-N 3.09Å; F273-I276 HydrophobicContact CD2-CB 4.31Å; F273-I276 HydrophobicContact CD2-CG2 4.5Å; F273-I276 HydrophobicContact CE2-CG2 4.3Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 3.31Å; F273-G277 PolarHBondContact O-N 3.39Å
274	H	97.6	Very high	94.8	Very high	68 Å²	68	43.9 Å²	43.9	32%	0.315	21%	0.206	S	C	.	.	H	α-helix	trans	-59.7	-40.4	174.1	-174.5	43.5	0	0	0	113.3	E129 Y132 Q133 P272 I276 G277 K278	E129-H274 IonicContact OE1-CE1 3.67Å; E129-H274 IonicContact OE1-ND1 2.84Å; E129-H274 PolarHBondContact OE1-ND1 3.48Å; E129-H274 IonicContact OE2-ND1 3.37Å; E129-H274 PolarHBondContact OE2-ND1 3.04Å; Y132-H274 AromaticContact CD1-CE1 3.5Å; Y132-H274 AromaticContact CD1-ND1 3.81Å; Y132-H274 AromaticContact CE1-CE1 3.06Å; Y132-H274 WeakPolarHBondContact CE1-CE1 3.44Å; Y132-H274 AromaticContact CE1-ND1 3.73Å; Y132-H274 AromaticContact CE1-NE2 3.74Å; Y132-H274 AromaticContact CZ-CE1 3.96Å; Q133-H274 PolarHBondContact NE2-CE1 3.32Å; P272-H274 PolarHBondContact O-N 2.95Å; P272-H274 VanDerWaalsContact O-N 3.08Å; H274-I276 VanDerWaalsContact C-N 3.32Å; H274-I276 PolarHBondContact O-N 3.08Å; H274-G277 PolarHBondContact O-N 3.44Å; H274-K278 PolarHBondContact O-N 3.3Å
275	E	97.9	Very high	95.4	Very high	77 Å²	77	44.7 Å²	44.7	36%	0.36	21%	0.21	S	C	.	.	H	α-helix	trans	-67.6	-35.3	177	-68	-55.9	143	0	0	111.5	P272 F273 K278 Q279	P272-E275 PolarHBondContact O-N 3.48Å; F273-E275 VanDerWaalsContact C-N 3.34Å; F273-E275 PolarHBondContact O-N 3.09Å; E275-K278 PolarHBondContact O-N 3.42Å; E275-K278 IonicContact OE2-NZ 2.81Å; E275-Q279 WeakPolarHBondContact O-CG 3.38Å; E275-Q279 PolarHBondContact O-N 3.26Å
276	I	98	Very high	96	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-63.9	-46.1	172.9	-53.7	-58.8	0	0	0	110	A168 V243 I244 F273 H274 K278 Q279 L280	A168-I276 HydrophobicContact CB-CG2 4.05Å; V243-I276 HydrophobicContact CG1-CD1 4.4Å; V243-I276 HydrophobicContact CG1-CG2 3.95Å; I244-I276 HydrophobicContact CD1-CB 4.17Å; I244-I276 HydrophobicContact CD1-CD1 4.08Å; I244-I276 HydrophobicContact CD1-CG1 3.75Å; I244-I276 HydrophobicContact CD1-CG2 3.49Å; I244-I276 VanDerWaalsContact CD1-CG2 3.49Å; I244-I276 HydrophobicContact CG1-CG2 4.19Å; F273-I276 HydrophobicContact CD2-CB 4.31Å; F273-I276 HydrophobicContact CD2-CG2 4.5Å; F273-I276 HydrophobicContact CE2-CG2 4.3Å; F273-I276 WeakPolarHBondContact O-CB 3.46Å; F273-I276 PolarHBondContact O-N 3.31Å; H274-I276 VanDerWaalsContact C-N 3.32Å; H274-I276 PolarHBondContact O-N 3.08Å; I276-K278 VanDerWaalsContact C-N 3.3Å; I276-K278 PolarHBondContact O-N 3.47Å; I276-Q279 PolarHBondContact O-N 3.05Å; I276-L280 HydrophobicContact CG2-CD1 4.11Å; I276-L280 HydrophobicContact CG2-CG 4.46Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.42Å; I276-L280 PolarHBondContact O-N 3.46Å
277	G	98.1	Very high	96.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-57.1	-42.5	175.9	0	0	0	0	0	112.5	F273 H274 L280 K281	F273-G277 PolarHBondContact O-N 3.39Å; H274-G277 PolarHBondContact O-N 3.44Å; G277-L280 PolarHBondContact O-N 3.06Å; G277-K281 WeakPolarHBondContact O-CB 3.46Å; G277-K281 PolarHBondContact O-N 3.28Å
278	K	98.3	Very high	96.7	Very high	101 Å²	101	47.3 Å²	47.3	44%	0.439	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-46.5	175.3	-178	-177.2	174.6	-171.9	0	112	Q133 H274 E275 I276 L280 K281 Q282	Q133-K278 VanDerWaalsContact NE2-N 3.19Å; H274-K278 PolarHBondContact O-N 3.3Å; E275-K278 PolarHBondContact O-N 3.42Å; E275-K278 IonicContact OE2-NZ 2.81Å; I276-K278 VanDerWaalsContact C-N 3.3Å; I276-K278 PolarHBondContact O-N 3.47Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; K278-K281 PolarHBondContact O-N 2.98Å; K278-Q282 WeakPolarHBondContact O-CG 3.45Å; K278-Q282 PolarHBondContact O-N 3.34Å
279	Q	98.3	Very high	96.7	Very high	49 Å²	49	47.7 Å²	47.7	23%	0.229	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-35.9	176.6	-76.5	-173.2	58	0	0	113	V243 E275 I276 R283	V243-Q279 HydrophobicContact CG1-CB 3.89Å; E275-Q279 WeakPolarHBondContact O-CG 3.38Å; E275-Q279 PolarHBondContact O-N 3.26Å; I276-Q279 PolarHBondContact O-N 3.05Å; Q279-R283 PolarHBondContact O-N 3.17Å; Q279-R283 PolarHBondContact O-NH1 3.34Å
280	L	98.4	Very high	96.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-71.7	-36.2	174.1	-70.6	175.6	0	0	0	111.8	F161 A164 V165 A168 V243 I276 G277 K278 Q282 R283 Y284	F161-L280 HydrophobicContact CD2-CB 4.28Å; F161-L280 HydrophobicContact CE2-CB 3.72Å; A164-L280 HydrophobicContact CB-CD2 3.96Å; V165-L280 HydrophobicContact CB-CD1 4.14Å; V165-L280 HydrophobicContact CG2-CD1 4.37Å; A168-L280 HydrophobicContact CB-CD1 3.92Å; V243-L280 HydrophobicContact CB-CD2 4.15Å; V243-L280 HydrophobicContact CG1-CD2 4.31Å; V243-L280 HydrophobicContact CG1-CG 4.31Å; V243-L280 HydrophobicContact CG2-CD2 3.89Å; I276-L280 HydrophobicContact CG2-CD1 4.11Å; I276-L280 HydrophobicContact CG2-CG 4.46Å; I276-L280 WeakPolarHBondContact O-CB 3.44Å; I276-L280 WeakPolarHBondContact O-CG 3.42Å; I276-L280 PolarHBondContact O-N 3.46Å; G277-L280 PolarHBondContact O-N 3.06Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 3.24Å; L280-Q282 VanDerWaalsContact C-N 3.33Å; L280-R283 PolarHBondContact O-N 3.47Å; L280-Y284 WeakPolarHBondContact O-CB 3.43Å; L280-Y284 PolarHBondContact O-N 3.04Å
281	K	98.2	Very high	95.8	Very high	23 Å²	23	45.8 Å²	45.8	10%	0.1	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-36.6	176.5	178.5	57.6	168.1	160.7	0	111.3	Q133 F134 E137 F161 G277 K278 Y284 E285	Q133-K281 HydrophobicContact CB-CB 4.46Å; Q133-K281 HydrophobicContact CG-CB 4.4Å; F134-K281 HydrophobicContact CE2-CD 4.2Å; F134-K281 HydrophobicContact CZ-CD 4.08Å; E137-K281 IonicContact OE1-NZ 3.51Å; E137-K281 PolarHBondContact OE1-NZ 2.03Å; F161-K281 HydrophobicContact CE2-CB 4.29Å; G277-K281 WeakPolarHBondContact O-CB 3.46Å; G277-K281 PolarHBondContact O-N 3.28Å; K278-K281 PolarHBondContact O-N 2.98Å; K281-Y284 HydrophobicContact CD-CD1 3.95Å; K281-Y284 WeakPolarHBondContact O-CB 3.37Å; K281-Y284 PolarHBondContact O-N 3.48Å; K281-E285 VanDerWaalsContact CE-OE1 3.32Å; K281-E285 WeakPolarHBondContact CE-OE1 3.23Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.15Å; K281-E285 PolarHBondContact O-N 3.08Å
282	Q	97.9	Very high	94.1	Very high	114 Å²	114	48.2 Å²	48.2	53%	0.533	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-45.8	172.1	-70.7	169.9	-17	0	0	112.3	K278 L280 Y284 E285 A286	K278-Q282 WeakPolarHBondContact O-CG 3.45Å; K278-Q282 PolarHBondContact O-N 3.34Å; L280-Q282 VanDerWaalsContact C-N 3.33Å; Q282-Y284 VanDerWaalsContact C-N 3.3Å; Q282-Y284 PolarHBondContact O-N 3.39Å; Q282-E285 PolarHBondContact O-N 3.34Å; Q282-E285 VanDerWaalsContact O-N 3.09Å; Q282-A286 PolarHBondContact O-N 2.59Å
283	R	97.9	Very high	91.9	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.177	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-29.3	176.4	-70.9	167.5	172.8	79.1	-0.4	113.1	Q279 L280 S287 M325 L327	Q279-R283 PolarHBondContact O-N 3.17Å; Q279-R283 PolarHBondContact O-NH1 3.34Å; L280-R283 PolarHBondContact O-N 3.47Å; R283-S287 PolarHBondContact O-N 2.84Å; R283-S287 VanDerWaalsContact O-N 3.15Å; R283-M325 WeakPolarHBondContact CD-O 3.44Å; R283-M325 PolarHBondContact NE-O 3Å; R283-L327 HydrophobicContact CB-CG 4.12Å; R283-L327 PolarHBondContact O-N 3.26Å
284	Y	97.8	Very high	89.4	Confident	17 Å²	17	49.4 Å²	49.4	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-51.7	166.2	167.4	-89.8	0	0	0	109.1	F134 K157 E158 F161 L280 K281 Q282 A286 S287	F134-Y284 HydrophobicContact CE1-CD1 4.31Å; F134-Y284 AromaticContact CE1-CE1 3.71Å; F134-Y284 HydrophobicContact CE1-CE1 3.71Å; F134-Y284 HydrophobicContact CE1-CE2 4.07Å; F134-Y284 AromaticContact CE1-CZ 3.56Å; F134-Y284 AromaticContact CZ-CD1 3.97Å; F134-Y284 HydrophobicContact CZ-CD1 3.97Å; F134-Y284 HydrophobicContact CZ-CD2 4.05Å; F134-Y284 AromaticContact CZ-CE1 3.81Å; F134-Y284 HydrophobicContact CZ-CE1 3.81Å; F134-Y284 AromaticContact CZ-CE2 3.81Å; F134-Y284 HydrophobicContact CZ-CE2 3.81Å; F134-Y284 HydrophobicContact CZ-CG 4.09Å; F134-Y284 AromaticContact CZ-CZ 3.72Å; K157-Y284 VanDerWaalsContact C-CE2 3.47Å; K157-Y284 HydrophobicContact CB-CD2 4.49Å; K157-Y284 HydrophobicContact CB-CE2 3.81Å; K157-Y284 HydrophobicContact CD-CD2 4.21Å; K157-Y284 HydrophobicContact CD-CE1 4.01Å; K157-Y284 HydrophobicContact CD-CE2 3.74Å; K157-Y284 WeakPolarHBondContact CE-O 3.38Å; K157-Y284 HydrophobicContact CG-CD2 3.73Å; K157-Y284 HydrophobicContact CG-CE2 3.39Å; K157-Y284 HydrophobicContact CG-CG 4.5Å; K157-Y284 PolarHBondContact NZ-O 3.42Å; K157-Y284 WeakPolarHBondContact O-CD2 3.36Å; K157-Y284 WeakPolarHBondContact O-CE2 3.38Å; E158-Y284 PolarHBondContact OE1-OH 3.44Å; E158-Y284 VanDerWaalsContact OE1-OH 3.06Å; F161-Y284 HydrophobicContact CB-CD2 3.7Å; F161-Y284 HydrophobicContact CB-CE2 4.33Å; F161-Y284 HydrophobicContact CB-CG 4.41Å; F161-Y284 HydrophobicContact CD2-CD2 4.47Å; F161-Y284 HydrophobicContact CD2-CG 4.38Å; F161-Y284 HydrophobicContact CG-CD2 4.4Å; L280-Y284 WeakPolarHBondContact O-CB 3.43Å; L280-Y284 PolarHBondContact O-N 3.04Å; K281-Y284 HydrophobicContact CD-CD1 3.95Å; K281-Y284 WeakPolarHBondContact O-CB 3.37Å; K281-Y284 PolarHBondContact O-N 3.48Å; Q282-Y284 VanDerWaalsContact C-N 3.3Å; Q282-Y284 PolarHBondContact O-N 3.39Å; Y284-A286 VanDerWaalsContact C-N 3.28Å; Y284-A286 PolarHBondContact O-N 3.44Å; Y284-S287 WeakPolarHBondContact O-CB 2.98Å; Y284-S287 PolarHBondContact O-N 3.38Å; Y284-S287 PolarHBondContact O-OG 3.48Å
285	E	96.6	Very high	86.9	Confident	96 Å²	96	50.4 Å²	50.4	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-41	-179.2	-65.4	-48.8	156.4	0	0	113.9	K157 K281 Q282 S287	K157-E285 PolarHBondContact NZ-O 2.9Å; K157-E285 IonicContact NZ-OE2 3.81Å; K157-E285 PolarHBondContact NZ-OE2 3.47Å; K281-E285 VanDerWaalsContact CE-OE1 3.32Å; K281-E285 WeakPolarHBondContact CE-OE1 3.23Å; K281-E285 IonicContact NZ-OE1 2.7Å; K281-E285 PolarHBondContact NZ-OE1 3.15Å; K281-E285 PolarHBondContact O-N 3.08Å; Q282-E285 PolarHBondContact O-N 3.34Å; Q282-E285 VanDerWaalsContact O-N 3.09Å; E285-S287 PolarHBondContact O-N 3.15Å
286	A	96	Very high	84.5	Confident	51 Å²	51	56.2 Å²	56.2	42%	0.421	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	6.7	176.6	0	0	0	0	0	114.9	Q282 Y284	Q282-A286 PolarHBondContact O-N 2.59Å; Y284-A286 VanDerWaalsContact C-N 3.28Å; Y284-A286 PolarHBondContact O-N 3.44Å
287	S	95	Very high	82.1	Confident	15 Å²	15	60.7 Å²	60.7	11%	0.105	33%	0.334	C	S	.	.			trans	-60.4	146.1	-171.6	72.1	0	0	0	0	113.1	K157 R283 Y284 E285 L327 H329	K157-S287 WeakPolarHBondContact CE-OG 3.25Å; K157-S287 VanDerWaalsContact CG-OG 3.27Å; K157-S287 WeakPolarHBondContact CG-OG 3.04Å; R283-S287 PolarHBondContact O-N 2.84Å; R283-S287 VanDerWaalsContact O-N 3.15Å; Y284-S287 WeakPolarHBondContact O-CB 2.98Å; Y284-S287 PolarHBondContact O-N 3.38Å; Y284-S287 PolarHBondContact O-OG 3.48Å; E285-S287 PolarHBondContact O-N 3.15Å; S287-L327 CarbonylContact C-O 3.54Å; S287-L327 WeakPolarHBondContact CA-O 3.37Å; S287-L327 WeakPolarHBondContact CB-O 3.01Å; S287-H329 PolarHBondContact OG-CE1 3.44Å; S287-H329 PolarHBondContact OG-ND1 2.99Å
288	L	93.9	Very high	79.9	Confident	75 Å²	75	65.3 Å²	65.3	39%	0.393	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	138.4	-178.7	-55.3	174.8	0	0	0	111.5	T324 L327 L328 H329	L288-T324 HydrophobicContact CD1-CG2 4.48Å; L288-L327 PolarHBondContact N-O 3.24Å; L288-L328 HydrophobicContact CB-CD2 3.85Å; L288-L328 WeakPolarHBondContact O-CA 3.19Å; L288-H329 VanDerWaalsContact C-CE1 3.48Å; L288-H329 PolarHBondContact O-N 3.13Å; L288-H329 PolarHBondContact O-ND1 3.43Å
289	K	91.7	Very high	77.3	Confident	82 Å²	82	64.1 Å²	64.1	36%	0.357	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	132.2	170.5	-167.2	177	178.2	-179.7	0	109.5	H329 I330 D332	K289-H329 CarbonylContact C-O 3.59Å; K289-H329 VanDerWaalsContact CA-O 3.26Å; K289-H329 WeakPolarHBondContact CA-O 3.09Å; K289-H329 WeakPolarHBondContact CB-NE2 3.11Å; K289-H329 PolarHBondContact N-CE1 3.3Å; K289-I330 VanDerWaalsContact CE-O 3.29Å; K289-I330 WeakPolarHBondContact CE-O 3.41Å; K289-D332 WeakPolarHBondContact CD-OD1 3.45Å; K289-D332 WeakPolarHBondContact CE-OD1 3.41Å; K289-D332 IonicContact NZ-OD1 3.03Å; K289-D332 PolarHBondContact NZ-OD1 3.23Å; K289-D332 IonicContact NZ-OD2 3.73Å; K289-D332 PolarHBondContact NZ-OD2 3.24Å
290	V	89.8	Confident	74.8	Confident	5 Å²	5	68.2 Å²	68.2	3%	0.03	40%	0.398	C	S	.	.			trans	-127.4	128.8	176.8	-63.9	0	0	0	0	109.3	V232 I303 P322 L328 H329 I330	V232-V290 HydrophobicContact CG2-CG2 3.5Å; V232-V290 VanDerWaalsContact CG2-CG2 3.5Å; V290-I303 HydrophobicContact CB-CD1 4.15Å; V290-I303 HydrophobicContact CB-CG2 3.74Å; V290-I303 HydrophobicContact CG1-CG2 4.05Å; V290-P322 HydrophobicContact CG1-CG 4.38Å; V290-L328 HydrophobicContact CG1-CD2 4.1Å; V290-L328 HydrophobicContact CG2-CB 4.29Å; V290-H329 WeakPolarHBondContact CG2-O 3.32Å; V290-H329 PolarHBondContact N-O 2.9Å; V290-I330 HydrophobicContact CG2-CG1 4.19Å; V290-I330 VanDerWaalsContact O-CA 3.31Å; V290-I330 WeakPolarHBondContact O-CA 3.47Å
291	G	78.8	Confident	72.3	Confident	30 Å²	30	69.7 Å²	69.7	31%	0.309	41%	0.413	S	S	.	.			trans	-132.4	151.8	175.2	0	0	0	0	0	110.2	I303	G291-I303 WeakPolarHBondContact O-CA 3.18Å; G291-I303 WeakPolarHBondContact O-CB 3.22Å; G291-I303 VanDerWaalsContact O-CG1 3.31Å; G291-I303 WeakPolarHBondContact O-CG1 3.48Å; G291-I303 WeakPolarHBondContact O-CG2 3.4Å
292	S	61.4	Low	69.9	Low	58 Å²	58	74.7 Å²	74.7	41%	0.406	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	113.3	173.1	-165.8	0	0	0	0	108.7	T294 E302	S292-T294 PolarHBondContact O-N 2.86Å; S292-E302 CarbonylContact C-O 3.47Å
293	S	51.9	Low	67.9	Low	34 Å²	34	70.7 Å²	70.7	24%	0.238	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	98	155.6	56.6	0	0	0	0	107	N295 E302	S293-N295 PolarHBondContact O-N 3.24Å; S293-E302 PolarHBondContact N-O 3.39Å; S293-E302 PolarHBondContact O-N 3.32Å; S293-E302 PolarHBondContact OG-O 2.97Å
294	T	44.1	Very low	65.7	Low	93 Å²	93	72.3 Å²	72.3	57%	0.571	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.8	163.7	42.7	0	0	0	0	107.4	S292 E296	S292-T294 PolarHBondContact O-N 2.86Å; T294-E296 PolarHBondContact O-N 3.02Å
295	N	44.4	Very low	63.6	Low	90 Å²	90	78.5 Å²	78.5	48%	0.481	47%	0.467	S	S	.	.			trans	-69.7	111.5	161.4	-71	-25.9	0	0	0	106.4	S293 A297 T298	S293-N295 PolarHBondContact O-N 3.24Å; N295-A297 PolarHBondContact O-N 2.85Å; N295-T298 PolarHBondContact O-N 3.46Å
296	E	48	Very low	61.1	Low	198 Å²	198	78.6 Å²	78.6	93%	0.925	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-11.1	-176.9	-73.7	163	151.5	0	0	113.4	T294	T294-E296 PolarHBondContact O-N 3.02Å
297	A	48.9	Very low	58.7	Low	96 Å²	96	85.5 Å²	85.5	79%	0.793	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-20.8	179.4	0	0	0	0	0	115.6	N295	N295-A297 PolarHBondContact O-N 2.85Å
298	T	51.2	Low	56.3	Low	97 Å²	97	90.7 Å²	90.7	60%	0.595	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130	-10.8	-172.1	53.7	0	0	0	0	115.4	N295 E300	N295-T298 PolarHBondContact O-N 3.46Å; T298-E300 PolarHBondContact O-N 2.93Å; T298-E300 VanDerWaalsContact O-N 3.16Å
299	G	44.2	Very low	54.2	Low	76 Å²	76	95.5 Å²	95.5	78%	0.784	55%	0.554	S	S	*	*			trans	69	6.2	179.4	0	0	0	0	0	114.9
300	E	44.5	Very low	51.9	Low	135 Å²	135	99.2 Å²	99.2	63%	0.631	57%	0.572	S	S	*	*			trans	-99.5	127.6	176	-65.1	-167	149.5	0	0	110.4	T298 E302	T298-E300 PolarHBondContact O-N 2.93Å; T298-E300 VanDerWaalsContact O-N 3.16Å; E300-E302 PolarHBondContact O-N 3.34Å
301	G	46.6	Very low	49.3	Very low	31 Å²	31	107 Å²	107	32%	0.32	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.4	101.9	-178.4	0	0	0	0	0	111.6
302	E	47.3	Very low	47.8	Very low	128 Å²	128	111.9 Å²	111.9	60%	0.598	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.6	151.8	168.8	-71.4	-171	146.4	0	0	110.6	S292 S293 E300	S292-E302 CarbonylContact C-O 3.47Å; S293-E302 PolarHBondContact N-O 3.39Å; S293-E302 PolarHBondContact O-N 3.32Å; S293-E302 PolarHBondContact OG-O 2.97Å; E300-E302 PolarHBondContact O-N 3.34Å
303	I	55.1	Low	47	Very low	31 Å²	31	116.7 Å²	116.7	16%	0.159	66%	0.655	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	115.9	177.1	-65.4	-170.8	0	0	0	109.7	L228 V290 G291 Q305 P320	L228-I303 HydrophobicContact CD1-CD1 3.49Å; L228-I303 VanDerWaalsContact CD1-CD1 3.49Å; L228-I303 HydrophobicContact CD2-CD1 4.4Å; V290-I303 HydrophobicContact CB-CD1 4.15Å; V290-I303 HydrophobicContact CB-CG2 3.74Å; V290-I303 HydrophobicContact CG1-CG2 4.05Å; G291-I303 WeakPolarHBondContact O-CA 3.18Å; G291-I303 WeakPolarHBondContact O-CB 3.22Å; G291-I303 VanDerWaalsContact O-CG1 3.31Å; G291-I303 WeakPolarHBondContact O-CG1 3.48Å; G291-I303 WeakPolarHBondContact O-CG2 3.4Å; I303-Q305 PolarHBondContact O-N 2.97Å; I303-P320 HydrophobicContact CD1-CB 3.54Å; I303-P320 WeakPolarHBondContact CD1-O 3.17Å; I303-P320 HydrophobicContact CG1-CB 3.76Å
304	S	52.6	Low	46.7	Very low	81 Å²	81	120.8 Å²	120.8	57%	0.566	68%	0.68	S	S	*	*			trans	-75.2	117.7	173.7	-44.1	0	0	0	0	110.3	A306	S304-A306 PolarHBondContact O-N 2.87Å
305	Q	54.6	Low	46.4	Very low	147 Å²	147	119.2 Å²	119.2	69%	0.687	68%	0.683	S	S	*	*			trans	-75.9	112.4	168.3	-64.7	-177.5	7.6	0	0	109	I303 R307	I303-Q305 PolarHBondContact O-N 2.97Å; Q305-R307 VanDerWaalsContact C-N 3.34Å; Q305-R307 PolarHBondContact O-N 2.86Å; Q305-R307 VanDerWaalsContact O-N 3.07Å
306	A	44.2	Very low	46.4	Very low	98 Å²	98	121.3 Å²	121.3	81%	0.81	70%	0.701	S	S	*	*			trans	-80.5	82.1	169.8	0	0	0	0	0	109.5	S304	S304-A306 PolarHBondContact O-N 2.87Å
307	R	44.3	Very low	46.3	Very low	196 Å²	196	115.3 Å²	115.3	74%	0.74	68%	0.681	S	S	*	*			trans	-124.6	129.3	169.3	-159.4	177.3	-173.4	-178.5	1.8	109.7	Q305 Q309	Q305-R307 VanDerWaalsContact C-N 3.34Å; Q305-R307 PolarHBondContact O-N 2.86Å; Q305-R307 VanDerWaalsContact O-N 3.07Å; R307-Q309 PolarHBondContact O-N 2.91Å
308	P	45	Very low	46.5	Very low	124 Å²	124	118.1 Å²	118.1	81%	0.805	68%	0.683	S	S	*	*			trans	-67.8	113.2	163.9	-11	26.4	0	0	0	108.5
309	Q	49.4	Very low	46.8	Very low	176 Å²	176	117.7 Å²	117.7	82%	0.822	68%	0.677	S	S	*	*	S	Bend	trans	27	107.2	164.4	-68.5	-179.2	-10.1	0	0	118.4	R307	R307-Q309 PolarHBondContact O-N 2.91Å
310	Q	43.1	Very low	47.7	Very low	159 Å²	159	115.4 Å²	115.4	74%	0.743	65%	0.648	S	S	*	*				167.2	139.8	109.9	-89.3	172.9	11.2	0	0	111.6
311	Q	35.8	Very low	49.1	Very low	170 Å²	170	110.8 Å²	110.8	79%	0.794	63%	0.628	S	S	*	*			trans	95.2	113.7	171.3	-58.6	-171.3	-2.7	0	0	117.9
312	P	47.8	Very low	50.7	Low	131 Å²	131	110.7 Å²	110.7	85%	0.851	62%	0.622	S	S	*	*			trans	-80.5	135.2	168.9	32.7	-29.5	0	0	0	110.2
313	L	44.4	Very low	52.3	Low	159 Å²	159	115.9 Å²	115.9	83%	0.832	64%	0.636	S	S	*	*			trans	-128.1	155.7	170.2	-84.9	163.7	0	0	0	110
314	P	45.8	Very low	53.9	Low	120 Å²	120	115.8 Å²	115.8	78%	0.779	64%	0.636	S	S	*	*			trans	-102	147.5	-136.9	35.5	-30	0	0	0	113.7
315	G	36.6	Very low	55.8	Low	61 Å²	61	115.1 Å²	115.1	63%	0.629	63%	0.625	S	S	*	*			trans	96.5	142.5	155.9	0	0	0	0	0	116	S317	G315-S317 PolarHBondContact O-N 2.98Å
316	P	45	Very low	57.7	Low	133 Å²	133	110.4 Å²	110.4	86%	0.864	61%	0.605	S	S	*	*			trans	-79.7	88.1	179.1	33.7	-30.3	0	0	0	108.6
317	S	45.5	Very low	60.2	Low	72 Å²	72	105.8 Å²	105.8	50%	0.503	57%	0.566	S	S	.	*			trans	-89.2	115.1	160.3	59.8	0	0	0	0	108.2	G315 D319	G315-S317 PolarHBondContact O-N 2.98Å; S317-D319 PolarHBondContact O-N 3.07Å
318	N	53.2	Low	62.7	Low	155 Å²	155	96.5 Å²	96.5	83%	0.829	53%	0.531	S	S	*	.	S	Bend	trans	-59.8	13.7	171.8	-71.6	-3.9	0	0	0	114.2	P320	N318-P320 WeakPolarHBondContact O-CD 3.43Å
319	D	56.9	Low	65	Low	89 Å²	89	91.6 Å²	91.6	48%	0.476	50%	0.498	S	S	.	.			trans	-99.7	110.3	177.6	-121.8	-22.2	0	0	0	108.9	S317 I321	S317-D319 PolarHBondContact O-N 3.07Å; D319-I321 PolarHBondContact O-N 2.82Å; D319-I321 VanDerWaalsContact O-N 3.13Å
320	P	63.5	Low	67.1	Low	27 Å²	27	85 Å²	85	18%	0.175	47%	0.468	C	S	.	.			trans	-66.4	-15.6	-175.1	-25.4	38.9	0	0	0	114.1	I303 N318	I303-P320 HydrophobicContact CD1-CB 3.54Å; I303-P320 WeakPolarHBondContact CD1-O 3.17Å; I303-P320 HydrophobicContact CG1-CB 3.76Å; N318-P320 WeakPolarHBondContact O-CD 3.43Å
321	I	75.4	Confident	69.5	Low	38 Å²	38	79.6 Å²	79.6	20%	0.195	44%	0.442	C	S	.	.	S	Bend	trans	-85.5	123.7	-178.5	-49.8	177.8	0	0	0	110	R231 H235 D319 R323 L328	R231-I321 HydrophobicContact CB-CD1 3.55Å; R231-I321 HydrophobicContact CB-CG1 4.14Å; R231-I321 HydrophobicContact CG-CD1 4.01Å; H235-I321 HydrophobicContact CB-CG2 4.22Å; D319-I321 PolarHBondContact O-N 2.82Å; D319-I321 VanDerWaalsContact O-N 3.13Å; I321-R323 PolarHBondContact O-N 3.3Å; I321-L328 HydrophobicContact CG2-CD1 3.46Å; I321-L328 VanDerWaalsContact CG2-CD1 3.46Å
322	P	78.8	Confident	72.3	Confident	30 Å²	30	76.6 Å²	76.6	20%	0.195	43%	0.432	C	S	.	.			trans	-59.8	138.1	174.3	-21.7	32.4	0	0	0	111.9	V290 T324	V290-P322 HydrophobicContact CG1-CG 4.38Å; P322-T324 HydrophobicContact CB-CG2 4.29Å; P322-T324 PolarHBondContact O-N 3.25Å
323	R	81.6	Confident	74.6	Confident	236 Å²	236	72.5 Å²	72.5	89%	0.891	41%	0.406	S	S	*	.			trans	-74.4	78.1	171	-64.8	-175.2	-174.7	-169.3	3.1	109.9	I321	I321-R323 PolarHBondContact O-N 3.3Å
324	T	88	Confident	76.9	Confident	29 Å²	29	66.4 Å²	66.4	18%	0.178	38%	0.376	C	S	.	.			trans	-124	163.3	178.3	-177.6	0	0	0	0	112.2	H235 L288 P322 D326 L328	H235-T324 PolarHBondContact CE1-O 3.49Å; H235-T324 VanDerWaalsContact CE1-O 3.23Å; L288-T324 HydrophobicContact CD1-CG2 4.48Å; P322-T324 HydrophobicContact CB-CG2 4.29Å; P322-T324 PolarHBondContact O-N 3.25Å; T324-D326 HydrophobicContact CG2-CB 4.19Å; T324-D326 WeakPolarHBondContact OG1-CB 3.5Å; T324-D326 PolarHBondContact OG1-N 3.39Å; T324-D326 PolarHBondContact OG1-OD2 2.99Å; T324-L328 HydrophobicContact CG2-CD2 4.03Å
325	M	92.9	Very high	79.2	Confident	68 Å²	68	64.6 Å²	64.6	34%	0.335	37%	0.367	S	S	.	.	S	Bend	trans	-97.3	0.4	166.4	-72.5	-56.6	-65.9	0	0	112.8	V239 K242 R283	V239-M325 VanDerWaalsContact CG1-O 3.31Å; V239-M325 WeakPolarHBondContact CG1-O 3.21Å; K242-M325 HydrophobicContact CB-CE 3.44Å; K242-M325 VanDerWaalsContact CB-CE 3.44Å; K242-M325 HydrophobicContact CB-SD 4.4Å; K242-M325 HydrophobicContact CD-CE 3.69Å; K242-M325 HydrophobicContact CD-SD 3.5Å; K242-M325 WeakPolarHBondContact CD-SD 3.49Å; K242-M325 HydrophobicContact CG-CE 4.24Å; R283-M325 WeakPolarHBondContact CD-O 3.44Å; R283-M325 PolarHBondContact NE-O 3Å
326	D	95.6	Very high	82	Confident	48 Å²	48	62.4 Å²	62.4	26%	0.257	34%	0.34	S	S	.	.	S	Bend	trans	-79.8	157.2	174.4	-56	-44.8	0	0	0	111.2	H235 T324	H235-D326 PolarHBondContact NE2-O 3.43Å; T324-D326 HydrophobicContact CG2-CB 4.19Å; T324-D326 WeakPolarHBondContact OG1-CB 3.5Å; T324-D326 PolarHBondContact OG1-N 3.39Å; T324-D326 PolarHBondContact OG1-OD2 2.99Å
327	L	96.8	Very high	84.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.			trans	-75.6	151.2	174.4	-61.1	-174.8	0	0	0	110.6	A160 F161 A164 N236 V239 R283 S287 L288	A160-L327 HydrophobicContact CB-CB 4.14Å; A160-L327 HydrophobicContact CB-CD1 4.5Å; F161-L327 HydrophobicContact CB-CD1 4.25Å; F161-L327 HydrophobicContact CD2-CD1 4.43Å; A164-L327 HydrophobicContact CB-CD1 4.29Å; A164-L327 HydrophobicContact CB-CD2 3.63Å; N236-L327 HydrophobicContact CB-CD2 4.33Å; N236-L327 WeakPolarHBondContact OD1-CA 3.38Å; V239-L327 HydrophobicContact CB-CD2 4.01Å; V239-L327 HydrophobicContact CG1-CD2 3.73Å; R283-L327 HydrophobicContact CB-CG 4.12Å; R283-L327 PolarHBondContact O-N 3.26Å; S287-L327 CarbonylContact C-O 3.54Å; S287-L327 WeakPolarHBondContact CA-O 3.37Å; S287-L327 WeakPolarHBondContact CB-O 3.01Å; L288-L327 PolarHBondContact N-O 3.24Å
328	L	95.7	Very high	86.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.9	-179.7	-58.8	-179.9	0	0	0	110.6	A160 V232 H235 N236 L288 V290 I321 T324	A160-L328 WeakPolarHBondContact CB-O 3.45Å; V232-L328 HydrophobicContact CG1-CB 3.94Å; V232-L328 VanDerWaalsContact CG1-O 3.23Å; V232-L328 WeakPolarHBondContact CG1-O 3.31Å; V232-L328 HydrophobicContact CG2-CB 4.46Å; H235-L328 HydrophobicContact CB-CD1 4.28Å; H235-L328 VanDerWaalsContact CD2-CD1 3.44Å; H235-L328 WeakPolarHBondContact CD2-CD1 3.38Å; H235-L328 VanDerWaalsContact CD2-CG 3.47Å; H235-L328 WeakPolarHBondContact CD2-CG 3.39Å; N236-L328 PolarHBondContact ND2-O 2.87Å; N236-L328 PolarHBondContact OD1-N 2.89Å; L288-L328 HydrophobicContact CB-CD2 3.85Å; L288-L328 WeakPolarHBondContact O-CA 3.19Å; V290-L328 HydrophobicContact CG1-CD2 4.1Å; V290-L328 HydrophobicContact CG2-CB 4.29Å; I321-L328 HydrophobicContact CG2-CD1 3.46Å; I321-L328 VanDerWaalsContact CG2-CD1 3.46Å; T324-L328 HydrophobicContact CG2-CD2 4.03Å
329	H	94.4	Very high	88.6	Confident	21 Å²	21	59.7 Å²	59.7	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	159.6	174.4	64.5	-81.4	0	0	0	110.4	G155 S287 L288 K289 V290 E331	G155-H329 WeakPolarHBondContact O-CB 3.46Å; S287-H329 PolarHBondContact OG-CE1 3.44Å; S287-H329 PolarHBondContact OG-ND1 2.99Å; L288-H329 VanDerWaalsContact C-CE1 3.48Å; L288-H329 PolarHBondContact O-N 3.13Å; L288-H329 PolarHBondContact O-ND1 3.43Å; K289-H329 CarbonylContact C-O 3.59Å; K289-H329 VanDerWaalsContact CA-O 3.26Å; K289-H329 WeakPolarHBondContact CA-O 3.09Å; K289-H329 WeakPolarHBondContact CB-NE2 3.11Å; K289-H329 PolarHBondContact N-CE1 3.3Å; V290-H329 WeakPolarHBondContact CG2-O 3.32Å; V290-H329 PolarHBondContact N-O 2.9Å; H329-E331 PolarHBondContact CD2-O 3.08Å
330	I	92.7	Very high	90.3	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.19	30%	0.297	C	S	.	.	S	Bend	trans	-110.2	-33	-175.1	-61.5	167.9	0	0	0	111.2	G155 L228 R229 V232 K289 V290	G155-I330 PolarHBondContact O-N 3.14Å; L228-I330 HydrophobicContact CD2-CD1 4.43Å; L228-I330 HydrophobicContact CG-CD1 4.07Å; R229-I330 HydrophobicContact CB-CD1 4.07Å; V232-I330 HydrophobicContact CB-CD1 4.13Å; V232-I330 HydrophobicContact CB-CG1 4.41Å; V232-I330 HydrophobicContact CG1-CD1 4.45Å; V232-I330 HydrophobicContact CG1-CG1 4.37Å; V232-I330 HydrophobicContact CG2-CD1 3.97Å; V232-I330 HydrophobicContact CG2-CG1 3.98Å; K289-I330 VanDerWaalsContact CE-O 3.29Å; K289-I330 WeakPolarHBondContact CE-O 3.41Å; V290-I330 HydrophobicContact CG2-CG1 4.19Å; V290-I330 VanDerWaalsContact O-CA 3.31Å; V290-I330 WeakPolarHBondContact O-CA 3.47Å
331	E	92.9	Very high	91.7	Very high	46 Å²	46	62.1 Å²	62.1	22%	0.215	31%	0.314	C	S	.	.	S	Bend	trans	-119.7	146.5	-173.4	-60.7	177.6	-121.6	0	0	110.4	R154 G155 F156 H329	R154-E331 WeakPolarHBondContact CA-OE1 3.5Å; R154-E331 IonicContact CZ-OE1 2.79Å; R154-E331 IonicContact CZ-OE2 2.62Å; R154-E331 VanDerWaalsContact NE-CD 3.29Å; R154-E331 IonicContact NE-OE1 2.69Å; R154-E331 PolarHBondContact NE-OE1 2.02Å; R154-E331 IonicContact NE-OE2 2.92Å; R154-E331 PolarHBondContact NE-OE2 2.79Å; R154-E331 IonicContact NH2-OE1 3.8Å; R154-E331 IonicContact NH2-OE2 2.9Å; R154-E331 PolarHBondContact NH2-OE2 3.09Å; G155-E331 PolarHBondContact N-OE1 3.06Å; G155-E331 PolarHBondContact O-N 3.4Å; F156-E331 HydrophobicContact CD1-CB 3.67Å; F156-E331 HydrophobicContact CE1-CB 3.77Å; F156-E331 WeakPolarHBondContact CE1-OE2 3.16Å; H329-E331 PolarHBondContact CD2-O 3.08Å
332	D	94.8	Very high	92.5	Very high	107 Å²	107	61.3 Å²	61.3	57%	0.572	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-66.4	138.9	172.3	-56.5	-47.2	0	0	0	110.1	F156 K289	F156-D332 VanDerWaalsContact CD1-O 3.28Å; F156-D332 WeakPolarHBondContact CD1-O 3.23Å; F156-D332 VanDerWaalsContact CE1-O 3.3Å; F156-D332 WeakPolarHBondContact CE1-O 3.36Å; K289-D332 WeakPolarHBondContact CD-OD1 3.45Å; K289-D332 WeakPolarHBondContact CE-OD1 3.41Å; K289-D332 IonicContact NZ-OD1 3.03Å; K289-D332 PolarHBondContact NZ-OD1 3.23Å; K289-D332 IonicContact NZ-OD2 3.73Å; K289-D332 PolarHBondContact NZ-OD2 3.24Å
333	S	95.3	Very high	93.1	Very high	45 Å²	45	60 Å²	60	32%	0.315	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-63.7	137	177.9	-63.1	0	0	0	0	110.7	K157 E158	K157-S333 WeakPolarHBondContact CB-OG 3.44Å; E158-S333 VanDerWaalsContact CD-OG 3.26Å; E158-S333 PolarHBondContact OE1-OG 3.34Å; E158-S333 VanDerWaalsContact OE1-OG 3.14Å; E158-S333 WeakPolarHBondContact OE2-CB 3.42Å; E158-S333 PolarHBondContact OE2-OG 2.96Å
334	P	94.5	Very high	93.6	Very high	31 Å²	31	51.7 Å²	51.7	20%	0.201	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-68.9	162.5	178.4	31.4	-36.2	0	0	0	110.8	F156 F336 Y342	F156-P334 HydrophobicContact CD2-CG 4.47Å; F156-P334 HydrophobicContact CE2-CG 4.02Å; F156-P334 HydrophobicContact CZ-CG 4.17Å; P334-F336 HydrophobicContact CG-CD1 4.42Å; P334-F336 HydrophobicContact CG-CE1 3.76Å; P334-F336 HydrophobicContact CG-CZ 3.92Å; P334-F336 WeakPolarHBondContact O-CD2 3.47Å; P334-F336 WeakPolarHBondContact O-CE2 3.47Å; P334-F336 PolarHBondContact O-N 3.48Å; P334-Y342 HydrophobicContact CB-CD2 3.89Å; P334-Y342 HydrophobicContact CB-CE2 4.36Å; P334-Y342 HydrophobicContact CG-CD2 3.63Å; P334-Y342 HydrophobicContact CG-CE2 4.32Å; P334-Y342 HydrophobicContact CG-CG 4.07Å
335	S	93.6	Very high	93.9	Very high	83 Å²	83	50.5 Å²	50.5	58%	0.58	27%	0.27	S	S	*	.	P	Polyproline II helix	trans	-66.7	122.8	168.9	-177.8	0	0	0	0	110.7	C337	S335-C337 PolarHBondContact OG-N 2.75Å
336	F	95.3	Very high	94	Very high	14 Å²	14	47.2 Å²	47.2	6%	0.061	25%	0.254	C	S	.	.			trans	-92.4	4.8	175.6	-57.2	-67.2	0	0	0	113.4	R138 W139 I151 E158 P334 G345	R138-F336 HydrophobicContact CB-CB 3.88Å; W139-F336 HydrophobicContact CB-CB 4.5Å; W139-F336 HydrophobicContact CB-CD1 4.08Å; W139-F336 HydrophobicContact CB-CD2 3.66Å; W139-F336 HydrophobicContact CB-CE1 4.14Å; W139-F336 HydrophobicContact CB-CE2 3.75Å; W139-F336 HydrophobicContact CB-CG 3.82Å; W139-F336 HydrophobicContact CB-CZ 3.98Å; W139-F336 AromaticContact CD1-CE1 3.83Å; W139-F336 HydrophobicContact CG-CD1 4.46Å; W139-F336 HydrophobicContact CG-CE1 4.19Å; W139-F336 HydrophobicContact CG-CE2 4.4Å; W139-F336 HydrophobicContact CG-CZ 4.16Å; I151-F336 HydrophobicContact CD1-CE1 4.38Å; E158-F336 HydrophobicContact CG-CE2 4.32Å; E158-F336 HydrophobicContact CG-CZ 4.04Å; E158-F336 VanDerWaalsContact OE1-CE2 3.25Å; E158-F336 WeakPolarHBondContact OE1-CE2 3.36Å; P334-F336 HydrophobicContact CG-CD1 4.42Å; P334-F336 HydrophobicContact CG-CE1 3.76Å; P334-F336 HydrophobicContact CG-CZ 3.92Å; P334-F336 WeakPolarHBondContact O-CD2 3.47Å; P334-F336 WeakPolarHBondContact O-CE2 3.47Å; P334-F336 PolarHBondContact O-N 3.48Å; F336-G345 CarbonylContact O-C 3.55Å; F336-G345 WeakPolarHBondContact O-CA 3.07Å
337	C	94.6	Very high	94	Very high	17 Å²	17	47.8 Å²	47.8	12%	0.115	26%	0.262	C	S	.	.	S	Bend	trans	-70.3	-37.8	-175.9	-71.2	0	0	0	0	113.4	S335 T346 C362 R364	S335-C337 PolarHBondContact OG-N 2.75Å; C337-T346 PolarHBondContact O-N 3.4Å; C337-T346 VanDerWaalsContact O-N 3.17Å; C337-T346 PolarHBondContact O-OG1 3.17Å; C337-C362 VanDerWaalsContact CA-SG 3.54Å; C337-C362 HydrophobicContact CB-CB 3.7Å; C337-C362 WeakPolarHBondContact CB-SG 3.32Å; C337-C362 WeakPolarHBondContact SG-CB 3.3Å; C337-C362 CovalentContact SG-SG 2.03Å; C337-C362 PolarHBondContact SG-SG 3.27Å; C337-R364 PolarHBondContact O-NH1 2.86Å; C337-R364 PolarHBondContact O-NH2 3.21Å
338	R	94.2	Very high	93.8	Very high	189 Å²	189	51.3 Å²	51.3	71%	0.713	29%	0.291	S	S	*	.	S	Bend	trans	-113	154.6	-179.8	-69.5	-175.2	178.6	167.4	0.9	110.1	S340	R338-S340 PolarHBondContact O-N 2.94Å
339	P	93.4	Very high	93.7	Very high	98 Å²	98	53 Å²	53	64%	0.636	30%	0.297	S	S	*	.			trans	-55.2	133.6	174.3	-19.7	28.5	0	0	0	111.3	P344	P339-P344 WeakPolarHBondContact CB-O 3.35Å; P339-P344 WeakPolarHBondContact CG-O 3.44Å
340	S	92.8	Very high	93.7	Very high	43 Å²	43	57 Å²	57	30%	0.301	31%	0.314	S	S	.	.			trans	-147.3	-179.6	177.5	72.7	0	0	0	0	110.2	Y147 R338 Y342 S343	Y147-S340 VanDerWaalsContact CE1-O 3.22Å; Y147-S340 WeakPolarHBondContact CE1-O 3.48Å; R338-S340 PolarHBondContact O-N 2.94Å; S340-Y342 PolarHBondContact O-N 3.25Å; S340-Y342 VanDerWaalsContact O-N 3.13Å; S340-Y342 PolarHBondContact OG-N 3.33Å; S340-Y342 VanDerWaalsContact OG-N 3.17Å; S340-S343 PolarHBondContact N-O 2.94Å; S340-S343 PolarHBondContact OG-N 3.22Å
341	K	92.1	Very high	93.7	Very high	123 Å²	123	55.3 Å²	55.3	54%	0.535	31%	0.305	S	S	.	.	S	Bend	trans	-62.5	-15.7	172	59.6	169.2	159.3	166.9	0	114	N150	N150-K341 WeakPolarHBondContact CB-O 3.32Å; N150-K341 PolarHBondContact ND2-O 3.22Å
342	Y	91.7	Very high	93.7	Very high	22 Å²	22	58 Å²	58	9%	0.086	31%	0.314	C	S	.	.	S	Bend	trans	-105.4	-18.9	-175.4	-54.2	-62.3	0	0	0	113.9	N150 I151 R154 F156 P334 S340	N150-Y342 HydrophobicContact CB-CD1 3.73Å; N150-Y342 HydrophobicContact CB-CE1 3.94Å; N150-Y342 WeakPolarHBondContact O-CE1 3.41Å; I151-Y342 WeakPolarHBondContact CD1-O 3.43Å; I151-Y342 HydrophobicContact CG1-CD1 4.15Å; I151-Y342 HydrophobicContact CG1-CG 4.47Å; R154-Y342 HydrophobicContact CG-CE1 3.81Å; F156-Y342 AromaticContact CE2-CD1 3.93Å; F156-Y342 HydrophobicContact CE2-CD1 3.93Å; F156-Y342 HydrophobicContact CE2-CD2 4.3Å; F156-Y342 AromaticContact CE2-CE1 3.83Å; F156-Y342 HydrophobicContact CE2-CE1 3.83Å; F156-Y342 HydrophobicContact CE2-CE2 4.17Å; F156-Y342 HydrophobicContact CE2-CG 4.16Å; F156-Y342 AromaticContact CE2-CZ 3.93Å; F156-Y342 HydrophobicContact CZ-CD2 4.49Å; F156-Y342 HydrophobicContact CZ-CE1 4.22Å; F156-Y342 HydrophobicContact CZ-CE2 4.01Å; F156-Y342 AromaticContact CZ-CZ 3.85Å; P334-Y342 HydrophobicContact CB-CD2 3.89Å; P334-Y342 HydrophobicContact CB-CE2 4.36Å; P334-Y342 HydrophobicContact CG-CD2 3.63Å; P334-Y342 HydrophobicContact CG-CE2 4.32Å; P334-Y342 HydrophobicContact CG-CG 4.07Å; S340-Y342 PolarHBondContact O-N 3.25Å; S340-Y342 VanDerWaalsContact O-N 3.13Å; S340-Y342 PolarHBondContact OG-N 3.33Å; S340-Y342 VanDerWaalsContact OG-N 3.17Å
343	S	92.4	Very high	93.4	Very high	2 Å²	2	58 Å²	58	1%	0.014	31%	0.309	C	S	.	.			trans	-154.2	149.1	-178.9	168.9	0	0	0	0	111.6	S340 G345	S340-S343 PolarHBondContact N-O 2.94Å; S340-S343 PolarHBondContact OG-N 3.22Å; S343-G345 PolarHBondContact O-N 3.22Å; S343-G345 PolarHBondContact OG-N 2.04Å
344	P	92.1	Very high	92.9	Very high	61 Å²	61	63.1 Å²	63.1	40%	0.396	33%	0.333	S	S	.	.			trans	-66.7	-9.7	170.1	29.6	-36.4	0	0	0	113.8	Y147 P339	Y147-P344 HydrophobicContact CE2-CB 4.17Å; P339-P344 WeakPolarHBondContact CB-O 3.35Å; P339-P344 WeakPolarHBondContact CG-O 3.44Å
345	G	93.7	Very high	92.5	Very high	4 Å²	4	69.2 Å²	69.2	4%	0.041	36%	0.357	C	S	.	.			trans	90.4	-178.4	-173.4	0	0	0	0	0	112.6	F336 S343	F336-G345 CarbonylContact O-C 3.55Å; F336-G345 WeakPolarHBondContact O-CA 3.07Å; S343-G345 PolarHBondContact O-N 3.22Å; S343-G345 PolarHBondContact OG-N 2.04Å
346	T	95.5	Very high	92.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-106.7	0.8	-178.8	60.5	0	0	0	0	115.4	R138 C337 R349 I360 R364 C401	R138-T346 HydrophobicContact CB-CG2 4.11Å; R138-T346 HydrophobicContact CG-CG2 4.41Å; C337-T346 PolarHBondContact O-N 3.4Å; C337-T346 VanDerWaalsContact O-N 3.17Å; C337-T346 PolarHBondContact O-OG1 3.17Å; T346-R349 WeakPolarHBondContact O-CB 3.31Å; T346-R349 PolarHBondContact O-N 2.94Å; T346-I360 WeakPolarHBondContact CB-O 2.98Å; T346-I360 VanDerWaalsContact CG2-O 3.31Å; T346-I360 WeakPolarHBondContact CG2-O 3.17Å; T346-I360 PolarHBondContact OG1-O 2.85Å; T346-R364 PolarHBondContact OG1-NH2 3.48Å; T346-C401 VanDerWaalsContact O-CB 3.22Å; T346-C401 WeakPolarHBondContact O-CB 3.08Å
347	S	94.8	Very high	92.4	Very high	60 Å²	60	65.2 Å²	65.2	42%	0.42	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	140.9	174.4	-178.8	0	0	0	0	111.3	R349 G403	S347-R349 PolarHBondContact O-N 2.97Å; S347-G403 WeakPolarHBondContact OG-CA 3.28Å
348	A	93.5	Very high	92.2	Very high	74 Å²	74	70.9 Å²	70.9	61%	0.612	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	6.2	-179.3	0	0	0	0	0	116	C401	A348-C401 WeakPolarHBondContact CA-O 3.35Å; A348-C401 PolarHBondContact N-O 2.81Å
349	R	93.9	Very high	91.9	Very high	37 Å²	37	64.2 Å²	64.2	14%	0.14	34%	0.344	C	S	.	.			trans	-71.4	136.9	174.5	-72.2	-171.9	59	-156.3	-13.6	110.8	E137 R138 T346 S347 T400 C401	E137-R349 VanDerWaalsContact O-CZ 3.25Å; E137-R349 PolarHBondContact O-NH1 3.32Å; E137-R349 PolarHBondContact O-NH2 3.41Å; R138-R349 VanDerWaalsContact C-NH1 3.32Å; R138-R349 PolarHBondContact O-NH1 2.91Å; T346-R349 WeakPolarHBondContact O-CB 3.31Å; T346-R349 PolarHBondContact O-N 2.94Å; S347-R349 PolarHBondContact O-N 2.97Å; R349-T400 WeakPolarHBondContact O-CA 3.34Å; R349-C401 PolarHBondContact O-N 2.8Å
350	K	93.4	Very high	91.9	Very high	104 Å²	104	59.6 Å²	59.6	45%	0.452	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	134.7	171.6	-173.3	176	178.2	178.9	0	110.1	I360 V398 Y399	K350-I360 WeakPolarHBondContact O-CD1 3.41Å; K350-V398 HydrophobicContact CD-CG1 4.29Å; K350-V398 HydrophobicContact CG-CG1 4.36Å; K350-Y399 WeakPolarHBondContact CA-O 3.38Å
351	C	94.1	Very high	92.1	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	169.9	174.1	73.9	0	0	0	0	110.9	C357 I360 Y399	C351-C357 VanDerWaalsContact C-SG 3.52Å; C351-C357 HydrophobicContact CB-CB 3.85Å; C351-C357 WeakPolarHBondContact CB-SG 3.19Å; C351-C357 VanDerWaalsContact SG-CA 3.56Å; C351-C357 WeakPolarHBondContact SG-CB 2.84Å; C351-C357 CovalentContact SG-SG 2.04Å; C351-C357 PolarHBondContact SG-SG 3.37Å; C351-I360 HydrophobicContact CB-CD1 3.35Å; C351-I360 HydrophobicContact CB-CG1 3.71Å; C351-Y399 PolarHBondContact N-O 2.97Å; C351-Y399 VanDerWaalsContact SG-CB 3.59Å
352	Y	92.1	Very high	92.2	Very high	102 Å²	102	53.3 Å²	53.3	40%	0.4	29%	0.285	S	S	.	.			trans	-120.7	117.6	178.9	-62	-91.4	0	0	0	107.9	F136 D354 K355 N356 C357	F136-Y352 AromaticContact CD1-CD2 3.89Å; F136-Y352 HydrophobicContact CD1-CD2 3.89Å; F136-Y352 HydrophobicContact CD1-CE2 4Å; F136-Y352 AromaticContact CE1-CD2 3.54Å; F136-Y352 HydrophobicContact CE1-CD2 3.54Å; F136-Y352 AromaticContact CE1-CE2 3.4Å; F136-Y352 HydrophobicContact CE1-CE2 3.4Å; F136-Y352 VanDerWaalsContact CE1-CE2 3.4Å; F136-Y352 HydrophobicContact CE1-CG 4.48Å; F136-Y352 HydrophobicContact CZ-CE2 4.48Å; Y352-D354 VanDerWaalsContact C-N 3.33Å; Y352-D354 PolarHBondContact O-N 3.38Å; Y352-K355 PolarHBondContact O-N 2.76Å; Y352-N356 PolarHBondContact N-OD1 3.24Å; Y352-N356 PolarHBondContact O-N 2.97Å; Y352-N356 PolarHBondContact O-OD1 3.07Å; Y352-C357 PolarHBondContact N-SG 3.42Å; Y352-C357 VanDerWaalsContact N-SG 3.4Å; Y352-C357 PolarHBondContact O-N 3.11Å
353	K	88	Confident	92.2	Very high	108 Å²	108	55.9 Å²	55.9	47%	0.47	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.8	-53.2	-169.4	-175	176.2	177.1	-175.4	0	112.4	K355 C357 Y399	K353-K355 VanDerWaalsContact C-N 3.33Å; K353-K355 PolarHBondContact O-N 3.03Å; K353-C357 VanDerWaalsContact CA-SG 3.6Å; K353-C357 PolarHBondContact N-SG 3.27Å; K353-C357 VanDerWaalsContact N-SG 3.42Å; K353-Y399 HydrophobicContact CB-CD2 3.96Å; K353-Y399 HydrophobicContact CB-CE1 4.25Å; K353-Y399 HydrophobicContact CB-CE2 3.6Å; K353-Y399 HydrophobicContact CB-CG 4.41Å; K353-Y399 HydrophobicContact CD-CE1 3.95Å; K353-Y399 HydrophobicContact CD-CE2 4.38Å; K353-Y399 WeakPolarHBondContact CD-OH 3.31Å; K353-Y399 HydrophobicContact CG-CE1 4.5Å
354	D	85.8	Confident	92.2	Very high	153 Å²	153	58.5 Å²	58.5	82%	0.818	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	9.2	-175.5	-43.9	-54.5	0	0	0	114	Y352	Y352-D354 VanDerWaalsContact C-N 3.33Å; Y352-D354 PolarHBondContact O-N 3.38Å
355	K	85.6	Confident	92.3	Very high	159 Å²	159	57 Å²	57	69%	0.691	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	-48.5	-176.8	-55.6	-173.2	175.8	-176	0	113.5	Y352 K353	Y352-K355 PolarHBondContact O-N 2.76Å; K353-K355 VanDerWaalsContact C-N 3.33Å; K353-K355 PolarHBondContact O-N 3.03Å
356	N	93	Very high	92.4	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.059	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-153.6	0.3	-167.1	77.5	-29.2	0	0	0	116.8	F136 Y352 D358 A359 I360	F136-N356 VanDerWaalsContact CA-ND2 3.3Å; F136-N356 WeakPolarHBondContact CA-ND2 3.5Å; F136-N356 HydrophobicContact CB-CB 4.19Å; F136-N356 WeakPolarHBondContact CB-ND2 3.12Å; F136-N356 PolarHBondContact O-ND2 3.47Å; F136-N356 VanDerWaalsContact O-ND2 3.08Å; Y352-N356 PolarHBondContact N-OD1 3.24Å; Y352-N356 PolarHBondContact O-N 2.97Å; Y352-N356 PolarHBondContact O-OD1 3.07Å; N356-D358 VanDerWaalsContact C-N 3.3Å; N356-D358 PolarHBondContact O-N 3.26Å; N356-A359 PolarHBondContact O-N 2.91Å; N356-A359 VanDerWaalsContact O-N 3.17Å; N356-I360 HydrophobicContact CB-CG2 4.49Å; N356-I360 VanDerWaalsContact O-CG1 3.3Å; N356-I360 WeakPolarHBondContact O-CG1 3.1Å; N356-I360 PolarHBondContact O-N 2.94Å
357	C	93.3	Very high	92.3	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.014	35%	0.354	C	S	.	.	H	α-helix	trans	-55.5	-44	-178.2	-74.7	0	0	0	0	112.6	C351 Y352 K353 A359 I360 C361	C351-C357 VanDerWaalsContact C-SG 3.52Å; C351-C357 HydrophobicContact CB-CB 3.85Å; C351-C357 WeakPolarHBondContact CB-SG 3.19Å; C351-C357 VanDerWaalsContact SG-CA 3.56Å; C351-C357 WeakPolarHBondContact SG-CB 2.84Å; C351-C357 CovalentContact SG-SG 2.04Å; C351-C357 PolarHBondContact SG-SG 3.37Å; Y352-C357 PolarHBondContact N-SG 3.42Å; Y352-C357 VanDerWaalsContact N-SG 3.4Å; Y352-C357 PolarHBondContact O-N 3.11Å; K353-C357 VanDerWaalsContact CA-SG 3.6Å; K353-C357 PolarHBondContact N-SG 3.27Å; K353-C357 VanDerWaalsContact N-SG 3.42Å; C357-A359 VanDerWaalsContact C-N 3.34Å; C357-A359 PolarHBondContact O-N 2.92Å; C357-I360 PolarHBondContact O-N 2.96Å; C357-C361 WeakPolarHBondContact O-CB 3.07Å; C357-C361 PolarHBondContact O-N 2.89Å; C357-C361 PolarHBondContact O-SG 3.12Å
358	D	90	Very high	92.3	Very high	135 Å²	135	64 Å²	64	72%	0.722	36%	0.356	S	S	*	.	H	α-helix	trans	-63.1	-41.4	179.5	-59.4	-31	0	0	0	112.3	N356	N356-D358 VanDerWaalsContact C-N 3.3Å; N356-D358 PolarHBondContact O-N 3.26Å
359	A	89.3	Confident	92.3	Very high	50 Å²	50	66.7 Å²	66.7	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-68.3	-47.5	-179.6	0	0	0	0	0	112.3	R138 N356 C357	R138-A359 PolarHBondContact NE-O 2.92Å; R138-A359 PolarHBondContact NH2-O 2.86Å; N356-A359 PolarHBondContact O-N 2.91Å; N356-A359 VanDerWaalsContact O-N 3.17Å; C357-A359 VanDerWaalsContact C-N 3.34Å; C357-A359 PolarHBondContact O-N 2.92Å
360	I	94.1	Very high	92.3	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-84.5	-27.8	-173.7	65.5	157.8	0	0	0	113.8	F136 T346 K350 C351 N356 C357 C362	F136-I360 WeakPolarHBondContact O-CG2 3.45Å; T346-I360 WeakPolarHBondContact CB-O 2.98Å; T346-I360 VanDerWaalsContact CG2-O 3.31Å; T346-I360 WeakPolarHBondContact CG2-O 3.17Å; T346-I360 PolarHBondContact OG1-O 2.85Å; K350-I360 WeakPolarHBondContact O-CD1 3.41Å; C351-I360 HydrophobicContact CB-CD1 3.35Å; C351-I360 HydrophobicContact CB-CG1 3.71Å; N356-I360 HydrophobicContact CB-CG2 4.49Å; N356-I360 VanDerWaalsContact O-CG1 3.3Å; N356-I360 WeakPolarHBondContact O-CG1 3.1Å; N356-I360 PolarHBondContact O-N 2.94Å; C357-I360 PolarHBondContact O-N 2.96Å; I360-C362 VanDerWaalsContact C-N 3.26Å; I360-C362 PolarHBondContact O-N 3.28Å
361	C	95.4	Very high	92.2	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.014	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-1	-179.9	-54.6	0	0	0	0	113.3	C357 G363 R364 G365 C401	C357-C361 WeakPolarHBondContact O-CB 3.07Å; C357-C361 PolarHBondContact O-N 2.89Å; C357-C361 PolarHBondContact O-SG 3.12Å; C361-G363 VanDerWaalsContact C-N 3.26Å; C361-G363 PolarHBondContact O-N 3.44Å; C361-R364 WeakPolarHBondContact O-CB 3.43Å; C361-R364 PolarHBondContact O-N 3.13Å; C361-G365 WeakPolarHBondContact CB-O 3.36Å; C361-C401 WeakPolarHBondContact CA-SG 3.14Å; C361-C401 HydrophobicContact CB-CB 3.72Å; C361-C401 WeakPolarHBondContact CB-SG 3.49Å; C361-C401 WeakPolarHBondContact SG-CA 3.15Å; C361-C401 WeakPolarHBondContact SG-CB 3.07Å; C361-C401 CovalentContact SG-SG 2.05Å; C361-C401 PolarHBondContact SG-SG 2.64Å
362	C	94	Very high	92.2	Very high	33 Å²	33	75.3 Å²	75.3	22%	0.223	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.3	171.5	-53.9	0	0	0	0	113.4	C337 I360 R364	C337-C362 VanDerWaalsContact CA-SG 3.54Å; C337-C362 HydrophobicContact CB-CB 3.7Å; C337-C362 WeakPolarHBondContact CB-SG 3.32Å; C337-C362 WeakPolarHBondContact SG-CB 3.3Å; C337-C362 CovalentContact SG-SG 2.03Å; C337-C362 PolarHBondContact SG-SG 3.27Å; I360-C362 VanDerWaalsContact C-N 3.26Å; I360-C362 PolarHBondContact O-N 3.28Å; C362-R364 PolarHBondContact O-N 3.23Å
363	G	91.5	Very high	92.3	Very high	76 Å²	76	72 Å²	72	78%	0.784	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	-2.7	-180	0	0	0	0	0	115.9	C361 G365	C361-G363 VanDerWaalsContact C-N 3.26Å; C361-G363 PolarHBondContact O-N 3.44Å; G363-G365 PolarHBondContact O-N 3.38Å
364	R	93.7	Very high	92.6	Very high	57 Å²	57	70.6 Å²	70.6	22%	0.215	40%	0.397	C	S	.	.	S	Bend	trans	-75.3	-10.1	178.3	-57.8	-172.2	-61	-96.5	-2.1	113.6	C337 T346 C361 C362 K402 G403	C337-R364 PolarHBondContact O-NH1 2.86Å; C337-R364 PolarHBondContact O-NH2 3.21Å; T346-R364 PolarHBondContact OG1-NH2 3.48Å; C361-R364 WeakPolarHBondContact O-CB 3.43Å; C361-R364 PolarHBondContact O-N 3.13Å; C362-R364 PolarHBondContact O-N 3.23Å; R364-K402 HydrophobicContact CB-CB 4.32Å; R364-K402 PolarHBondContact NE-O 3.35Å; R364-K402 PolarHBondContact NH2-O 3.11Å; R364-K402 WeakPolarHBondContact O-CD 3.26Å; R364-G403 WeakPolarHBondContact CD-O 3.47Å; R364-G403 WeakPolarHBondContact CD-OXT 3.45Å; R364-G403 PolarHBondContact NE-OXT 2.75Å
365	G	93.2	Very high	93	Very high	29 Å²	29	69.2 Å²	69.2	30%	0.299	38%	0.381	S	S	.	.			trans	74.8	-174	-171.3	0	0	0	0	0	113.3	C361 G363 K402	C361-G365 WeakPolarHBondContact CB-O 3.36Å; G363-G365 PolarHBondContact O-N 3.38Å; G365-K402 PolarHBondContact O-N 3.02Å
366	H	95.6	Very high	93.4	Very high	49 Å²	49	65.6 Å²	65.6	23%	0.227	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	150.6	-177.7	56.4	75.6	0	0	0	111.7	Y399 T400 K402	H366-Y399 AromaticContact CE1-CD1 3.69Å; H366-Y399 AromaticContact ND1-CD1 3.58Å; H366-T400 CarbonylContact C-O 3.5Å; H366-T400 WeakPolarHBondContact CA-O 3.36Å; H366-T400 WeakPolarHBondContact CB-O 3.29Å; H366-K402 VanDerWaalsContact O-CE 3.29Å; H366-K402 WeakPolarHBondContact O-CE 3.44Å
367	N	94.7	Very high	93.5	Very high	85 Å²	85	66.3 Å²	66.3	46%	0.455	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146	166.5	-66.2	-31.5	0	0	0	109.1	Y399 T400 K402	N367-Y399 VanDerWaalsContact O-CA 3.28Å; N367-Y399 WeakPolarHBondContact O-CA 3.5Å; N367-T400 PolarHBondContact N-O 3.13Å; N367-T400 PolarHBondContact O-N 3.41Å; N367-K402 WeakPolarHBondContact OD1-CE 3.44Å
368	T	94.9	Very high	93.6	Very high	76 Å²	76	72.3 Å²	72.3	47%	0.466	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124.7	177.1	-55.3	0	0	0	0	108.7	E397 Y399	T368-E397 HydrophobicContact CG2-CB 4.28Å; T368-E397 HydrophobicContact CG2-CG 4.43Å; T368-Y399 HydrophobicContact CG2-CD1 3.95Å; T368-Y399 HydrophobicContact CG2-CE1 3.6Å; T368-Y399 WeakPolarHBondContact OG1-CD1 3.2Å
369	Q	93.4	Very high	93.8	Very high	132 Å²	132	69 Å²	69	62%	0.617	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	175.9	-172.3	179.7	20.7	0	0	109.6	V398	Q369-V398 PolarHBondContact N-O 3.04Å; Q369-V398 PolarHBondContact O-N 2.98Å
370	S	93.1	Very high	94	Very high	72 Å²	72	72.2 Å²	72.2	50%	0.503	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.2	169.7	68.3	0	0	0	0	109.8
371	R	92.1	Very high	93.9	Very high	163 Å²	163	77.9 Å²	77.9	62%	0.615	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.8	178.7	-176.4	175.5	177.1	175.4	0.1	109.4	V373 E396 V398	R371-V373 HydrophobicContact CG-CG2 4.19Å; R371-V373 PolarHBondContact O-N 3.5Å; R371-E396 PolarHBondContact N-O 3.42Å; R371-E396 PolarHBondContact O-N 3.45Å; R371-V398 HydrophobicContact CB-CG2 4.25Å
372	V	94.2	Very high	93.6	Very high	88 Å²	88	83.1 Å²	83.1	53%	0.533	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120.2	168.7	-176	0	0	0	0	107.9	T393	V372-T393 HydrophobicContact CG1-CG2 4.22Å
373	V	93	Very high	93.1	Very high	31 Å²	31	93.7 Å²	93.7	19%	0.188	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.1	178.7	-172.9	0	0	0	0	108	R371 R375 Q394 E396	R371-V373 HydrophobicContact CG-CG2 4.19Å; R371-V373 PolarHBondContact O-N 3.5Å; V373-R375 HydrophobicContact CG1-CG 3.91Å; V373-Q394 PolarHBondContact N-O 3.16Å; V373-Q394 PolarHBondContact O-N 3.39Å; V373-E396 HydrophobicContact CG2-CB 4.29Å; V373-E396 HydrophobicContact CG2-CG 4.37Å
374	T	95.1	Very high	91.8	Very high	80 Å²	80	94.7 Å²	94.7	49%	0.491	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.7	172.7	-47.2	0	0	0	0	108.8	Q391 C392 T393	T374-Q391 HydrophobicContact CG2-CB 3.84Å; T374-Q391 HydrophobicContact CG2-CG 4.5Å; T374-C392 CarbonylContact C-O 3.57Å; T374-C392 VanDerWaalsContact CA-O 3.32Å; T374-C392 WeakPolarHBondContact CA-O 3.05Å; T374-T393 HydrophobicContact CG2-CG2 4.19Å
375	R	94.3	Very high	91.4	Very high	123 Å²	123	98 Å²	98	46%	0.464	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.7	176	-62.7	-170.6	-179.7	140.8	12.4	111.2	V373 C377 C392 E396	V373-R375 HydrophobicContact CG1-CG 3.91Å; R375-C377 PolarHBondContact O-N 3.19Å; R375-C392 PolarHBondContact N-O 2.78Å; R375-C392 PolarHBondContact O-N 3.26Å; R375-E396 IonicContact CZ-OE1 3.12Å; R375-E396 IonicContact CZ-OE2 3.6Å; R375-E396 IonicContact NH1-OE1 2.67Å; R375-E396 PolarHBondContact NH1-OE1 3.4Å; R375-E396 IonicContact NH1-OE2 3.86Å; R375-E396 IonicContact NH2-OE1 3.02Å; R375-E396 PolarHBondContact NH2-OE1 3.22Å; R375-E396 IonicContact NH2-OE2 2.72Å; R375-E396 PolarHBondContact NH2-OE2 2.78Å
376	P	94.7	Very high	91.1	Very high	84 Å²	84	103 Å²	103	55%	0.545	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.1	166.9	-20.2	32	0	0	0	110.1	C389 K390	P376-C389 HydrophobicContact CB-CB 3.77Å; P376-K390 CarbonylContact C-O 3.43Å; P376-K390 WeakPolarHBondContact CA-O 3.44Å
377	C	94.8	Very high	91	Very high	26 Å²	26	104.8 Å²	104.8	18%	0.176	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	165.6	-179.9	65.8	0	0	0	0	109.4	R375 C379 K390 C392	R375-C377 PolarHBondContact O-N 3.19Å; C377-C379 PolarHBondContact O-N 3.45Å; C377-K390 PolarHBondContact N-O 3.46Å; C377-K390 PolarHBondContact O-N 2.86Å; C377-K390 PolarHBondContact SG-O 3.17Å; C377-K390 VanDerWaalsContact SG-O 3.38Å; C377-C392 HydrophobicContact CB-CB 3.55Å; C377-C392 WeakPolarHBondContact CB-SG 3Å; C377-C392 WeakPolarHBondContact SG-CB 3.36Å; C377-C392 PolarHBondContact SG-N 3.03Å; C377-C392 CovalentContact SG-SG 1.99Å; C377-C392 PolarHBondContact SG-SG 2.78Å
378	Q	94.2	Very high	91	Very high	127 Å²	127	104.2 Å²	104.2	59%	0.593	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.2	45.8	175.3	-57.5	-177.4	-4.1	0	0	112.1
379	C	94.6	Very high	91.1	Very high	67 Å²	67	103 Å²	103	45%	0.453	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	128.9	-177.1	-62.7	0	0	0	0	110.8	C377 V387 E388 C389	C377-C379 PolarHBondContact O-N 3.45Å; C379-V387 HydrophobicContact CB-CG1 3.69Å; C379-E388 CarbonylContact C-O 3.58Å; C379-E388 WeakPolarHBondContact CA-O 3.26Å; C379-C389 HydrophobicContact CB-CB 4.1Å; C379-C389 WeakPolarHBondContact CB-SG 3.13Å; C379-C389 WeakPolarHBondContact SG-CB 3.4Å; C379-C389 CovalentContact SG-SG 2.04Å; C379-C389 PolarHBondContact SG-SG 2.85Å
380	Q	93.1	Very high	91.2	Very high	117 Å²	117	103 Å²	103	55%	0.547	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132	175.8	-64.8	-174.7	-3.4	0	0	109.8	R382 E388	Q380-R382 PolarHBondContact O-N 2.84Å; Q380-E388 PolarHBondContact N-O 3.44Å; Q380-E388 PolarHBondContact O-N 2.04Å
381	V	91.6	Very high	91.4	Very high	119 Å²	119	105.7 Å²	105.7	72%	0.721	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	117.1	172.5	-177.4	0	0	0	0	107.5	V387	V381-V387 HydrophobicContact CG2-CG2 4.39Å
382	R	90	Very high	91.5	Very high	112 Å²	112	100.3 Å²	100.3	42%	0.423	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	132.6	169.5	-65.9	-65.3	-171.6	177.5	1.5	108.6	Q380 C384 C385 Y386 E388	Q380-R382 PolarHBondContact O-N 2.84Å; R382-C384 PolarHBondContact O-N 2.84Å; R382-C385 PolarHBondContact O-N 2.91Å; R382-Y386 HydrophobicContact CB-CE1 4.28Å; R382-Y386 HydrophobicContact CB-CE2 4.48Å; R382-Y386 HydrophobicContact CG-CE2 4.23Å; R382-Y386 PolarHBondContact N-O 3.22Å; R382-E388 HydrophobicContact CG-CG 4.01Å; R382-E388 IonicContact CZ-OE2 3.25Å; R382-E388 VanDerWaalsContact CZ-OE2 3.25Å; R382-E388 IonicContact NE-OE1 3.64Å; R382-E388 IonicContact NE-OE2 2.78Å; R382-E388 PolarHBondContact NE-OE2 2.02Å; R382-E388 IonicContact NH2-OE2 2.83Å; R382-E388 PolarHBondContact NH2-OE2 3.34Å
383	W	82.6	Confident	91.6	Very high	255 Å²	255	100.9 Å²	100.9	97%	0.966	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	123.2	174.4	-164.3	84	0	0	0	108.1
384	C	65.9	Low	91.6	Very high	97 Å²	97	105.4 Å²	105.4	66%	0.655	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	46.8	-164.3	-146	0	0	0	0	116.9	R382	R382-C384 PolarHBondContact O-N 2.84Å
385	C	84.2	Confident	91.6	Very high	127 Å²	127	110.6 Å²	110.6	86%	0.858	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	90.8	13.8	137.7	-55.2	0	0	0	0	119.7	R382	R382-C385 PolarHBondContact O-N 2.91Å
386	Y	87.5	Confident	91.4	Very high	132 Å²	132	107 Å²	107	52%	0.518	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.5	170.1	65.9	-80.5	0	0	0	112.3	R382 E388	R382-Y386 HydrophobicContact CB-CE1 4.28Å; R382-Y386 HydrophobicContact CB-CE2 4.48Å; R382-Y386 HydrophobicContact CG-CE2 4.23Å; R382-Y386 PolarHBondContact N-O 3.22Å; Y386-E388 HydrophobicContact CD2-CG 3.88Å; Y386-E388 HydrophobicContact CE2-CG 3.49Å; Y386-E388 VanDerWaalsContact CE2-CG 3.49Å; Y386-E388 WeakPolarHBondContact CE2-OE1 3.45Å; Y386-E388 PolarHBondContact OH-OE1 3.47Å; Y386-E388 VanDerWaalsContact OH-OE1 3.08Å
387	V	93.9	Very high	91.4	Very high	88 Å²	88	108.3 Å²	108.3	53%	0.533	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	119.6	-179.7	-177.4	0	0	0	0	107.6	C379 V381	C379-V387 HydrophobicContact CB-CG1 3.69Å; V381-V387 HydrophobicContact CG2-CG2 4.39Å
388	E	94.1	Very high	91.3	Very high	72 Å²	72	108.2 Å²	108.2	34%	0.336	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.7	171.8	-72.2	178.6	-174	0	0	108.7	C379 Q380 R382 Y386	C379-E388 CarbonylContact C-O 3.58Å; C379-E388 WeakPolarHBondContact CA-O 3.26Å; Q380-E388 PolarHBondContact N-O 3.44Å; Q380-E388 PolarHBondContact O-N 2.04Å; R382-E388 HydrophobicContact CG-CG 4.01Å; R382-E388 IonicContact CZ-OE2 3.25Å; R382-E388 VanDerWaalsContact CZ-OE2 3.25Å; R382-E388 IonicContact NE-OE1 3.64Å; R382-E388 IonicContact NE-OE2 2.78Å; R382-E388 PolarHBondContact NE-OE2 2.02Å; R382-E388 IonicContact NH2-OE2 2.83Å; R382-E388 PolarHBondContact NH2-OE2 3.34Å; Y386-E388 HydrophobicContact CD2-CG 3.88Å; Y386-E388 HydrophobicContact CE2-CG 3.49Å; Y386-E388 VanDerWaalsContact CE2-CG 3.49Å; Y386-E388 WeakPolarHBondContact CE2-OE1 3.45Å; Y386-E388 PolarHBondContact OH-OE1 3.47Å; Y386-E388 VanDerWaalsContact OH-OE1 3.08Å
389	C	96	Very high	91.4	Very high	51 Å²	51	103.6 Å²	103.6	35%	0.345	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	144.8	174.7	-56.6	0	0	0	0	109.8	P376 C379	P376-C389 HydrophobicContact CB-CB 3.77Å; C379-C389 HydrophobicContact CB-CB 4.1Å; C379-C389 WeakPolarHBondContact CB-SG 3.13Å; C379-C389 WeakPolarHBondContact SG-CB 3.4Å; C379-C389 CovalentContact SG-SG 2.04Å; C379-C389 PolarHBondContact SG-SG 2.85Å
390	K	96.1	Very high	91.4	Very high	131 Å²	131	102.2 Å²	102.2	57%	0.57	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	158.7	165.2	-63.4	-176.9	-170.4	167.5	0	109.5	P376 C377	P376-K390 CarbonylContact C-O 3.43Å; P376-K390 WeakPolarHBondContact CA-O 3.44Å; C377-K390 PolarHBondContact N-O 3.46Å; C377-K390 PolarHBondContact O-N 2.86Å; C377-K390 PolarHBondContact SG-O 3.17Å; C377-K390 VanDerWaalsContact SG-O 3.38Å
391	Q	96.7	Very high	91.5	Very high	130 Å²	130	96.8 Å²	96.8	61%	0.607	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	114.3	170.1	-65.6	-63.9	-20.6	0	0	108.7	T374	T374-Q391 HydrophobicContact CG2-CB 3.84Å; T374-Q391 HydrophobicContact CG2-CG 4.5Å
392	C	95.9	Very high	91.7	Very high	49 Å²	49	95.3 Å²	95.3	33%	0.331	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	133.5	173.2	-71.7	0	0	0	0	109.9	T374 R375 C377	T374-C392 CarbonylContact C-O 3.57Å; T374-C392 VanDerWaalsContact CA-O 3.32Å; T374-C392 WeakPolarHBondContact CA-O 3.05Å; R375-C392 PolarHBondContact N-O 2.78Å; R375-C392 PolarHBondContact O-N 3.26Å; C377-C392 HydrophobicContact CB-CB 3.55Å; C377-C392 WeakPolarHBondContact CB-SG 3Å; C377-C392 WeakPolarHBondContact SG-CB 3.36Å; C377-C392 PolarHBondContact SG-N 3.03Å; C377-C392 CovalentContact SG-SG 1.99Å; C377-C392 PolarHBondContact SG-SG 2.78Å
393	T	95.1	Very high	91.5	Very high	101 Å²	101	94.4 Å²	94.4	62%	0.62	49%	0.488	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.2	169.3	50.8	0	0	0	0	109.8	V372 T374	V372-T393 HydrophobicContact CG1-CG2 4.22Å; T374-T393 HydrophobicContact CG2-CG2 4.19Å
394	Q	93.7	Very high	91.9	Very high	125 Å²	125	86.4 Å²	86.4	58%	0.584	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	139.4	172.7	-171.7	174.1	15.5	0	0	109.8	V373	V373-Q394 PolarHBondContact N-O 3.16Å; V373-Q394 PolarHBondContact O-N 3.39Å
395	R	93.6	Very high	93.3	Very high	189 Å²	189	85.8 Å²	85.8	71%	0.713	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	119	169.8	-173.1	177	-80	-173.4	-3.6	108.3
396	E	92.1	Very high	93.8	Very high	48 Å²	48	83.6 Å²	83.6	22%	0.224	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	145.5	175.3	-67.4	-170.8	160.7	0	0	110.2	R371 V373 R375	R371-E396 PolarHBondContact N-O 3.42Å; R371-E396 PolarHBondContact O-N 3.45Å; V373-E396 HydrophobicContact CG2-CB 4.29Å; V373-E396 HydrophobicContact CG2-CG 4.37Å; R375-E396 IonicContact CZ-OE1 3.12Å; R375-E396 IonicContact CZ-OE2 3.6Å; R375-E396 IonicContact NH1-OE1 2.67Å; R375-E396 PolarHBondContact NH1-OE1 3.4Å; R375-E396 IonicContact NH1-OE2 3.86Å; R375-E396 IonicContact NH2-OE1 3.02Å; R375-E396 PolarHBondContact NH2-OE1 3.22Å; R375-E396 IonicContact NH2-OE2 2.72Å; R375-E396 PolarHBondContact NH2-OE2 2.78Å
397	E	93.3	Very high	94.1	Very high	111 Å²	111	80.7 Å²	80.7	52%	0.519	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.8	170	-62.8	-167	156.2	0	0	110.4	T368 Y399	T368-E397 HydrophobicContact CG2-CB 4.28Å; T368-E397 HydrophobicContact CG2-CG 4.43Å; E397-Y399 HydrophobicContact CB-CE1 4.34Å; E397-Y399 HydrophobicContact CB-CE2 4.1Å; E397-Y399 PolarHBondContact OE2-OH 2.84Å
398	V	93.4	Very high	94.2	Very high	24 Å²	24	80.3 Å²	80.3	15%	0.145	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	123.4	175.1	-178.3	0	0	0	0	108.2	K350 Q369 R371 T400	K350-V398 HydrophobicContact CD-CG1 4.29Å; K350-V398 HydrophobicContact CG-CG1 4.36Å; Q369-V398 PolarHBondContact N-O 3.04Å; Q369-V398 PolarHBondContact O-N 2.98Å; R371-V398 HydrophobicContact CB-CG2 4.25Å; V398-T400 HydrophobicContact CG1-CG2 4.36Å
399	Y	95.1	Very high	94.2	Very high	30 Å²	30	80.8 Å²	80.8	12%	0.118	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	131.7	178	-49.8	-81.6	0	0	0	110.5	K350 C351 K353 H366 N367 T368 E397	K350-Y399 WeakPolarHBondContact CA-O 3.38Å; C351-Y399 PolarHBondContact N-O 2.97Å; C351-Y399 VanDerWaalsContact SG-CB 3.59Å; K353-Y399 HydrophobicContact CB-CD2 3.96Å; K353-Y399 HydrophobicContact CB-CE1 4.25Å; K353-Y399 HydrophobicContact CB-CE2 3.6Å; K353-Y399 HydrophobicContact CB-CG 4.41Å; K353-Y399 HydrophobicContact CD-CE1 3.95Å; K353-Y399 HydrophobicContact CD-CE2 4.38Å; K353-Y399 WeakPolarHBondContact CD-OH 3.31Å; K353-Y399 HydrophobicContact CG-CE1 4.5Å; H366-Y399 AromaticContact CE1-CD1 3.69Å; H366-Y399 AromaticContact ND1-CD1 3.58Å; N367-Y399 VanDerWaalsContact O-CA 3.28Å; N367-Y399 WeakPolarHBondContact O-CA 3.5Å; T368-Y399 HydrophobicContact CG2-CD1 3.95Å; T368-Y399 HydrophobicContact CG2-CE1 3.6Å; T368-Y399 WeakPolarHBondContact OG1-CD1 3.2Å; E397-Y399 HydrophobicContact CB-CE1 4.34Å; E397-Y399 HydrophobicContact CB-CE2 4.1Å; E397-Y399 PolarHBondContact OE2-OH 2.84Å
400	T	95.4	Very high	94	Very high	39 Å²	39	82.9 Å²	82.9	24%	0.239	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.4	178.9	52.7	0	0	0	0	110.9	R349 H366 N367 V398	R349-T400 WeakPolarHBondContact O-CA 3.34Å; H366-T400 CarbonylContact C-O 3.5Å; H366-T400 WeakPolarHBondContact CA-O 3.36Å; H366-T400 WeakPolarHBondContact CB-O 3.29Å; N367-T400 PolarHBondContact N-O 3.13Å; N367-T400 PolarHBondContact O-N 3.41Å; V398-T400 HydrophobicContact CG1-CG2 4.36Å
401	C	95.8	Very high	93.9	Very high	2 Å²	2	79.2 Å²	79.2	1%	0.014	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.2	-178.4	-65.9	0	0	0	0	112.3	T346 A348 R349 C361	T346-C401 VanDerWaalsContact O-CB 3.22Å; T346-C401 WeakPolarHBondContact O-CB 3.08Å; A348-C401 WeakPolarHBondContact CA-O 3.35Å; A348-C401 PolarHBondContact N-O 2.81Å; R349-C401 PolarHBondContact O-N 2.8Å; C361-C401 WeakPolarHBondContact CA-SG 3.14Å; C361-C401 HydrophobicContact CB-CB 3.72Å; C361-C401 WeakPolarHBondContact CB-SG 3.49Å; C361-C401 WeakPolarHBondContact SG-CA 3.15Å; C361-C401 WeakPolarHBondContact SG-CB 3.07Å; C361-C401 CovalentContact SG-SG 2.05Å; C361-C401 PolarHBondContact SG-SG 2.64Å
402	K	94.5	Very high	93.6	Very high	89 Å²	89	75 Å²	75	39%	0.387	40%	0.404	S	S	.	.			trans	-71	156.3	174.8	-64.1	-175.2	-174.4	177.9	0	111.6	R364 G365 H366 N367	R364-K402 HydrophobicContact CB-CB 4.32Å; R364-K402 PolarHBondContact NE-O 3.35Å; R364-K402 PolarHBondContact NH2-O 3.11Å; R364-K402 WeakPolarHBondContact O-CD 3.26Å; G365-K402 PolarHBondContact O-N 3.02Å; H366-K402 VanDerWaalsContact O-CE 3.29Å; H366-K402 WeakPolarHBondContact O-CE 3.44Å; N367-K402 WeakPolarHBondContact OD1-CE 3.44Å
403	G	85.8	Confident	93.4	Very high	93 Å²	93	77.4 Å²	77.4	96%	0.959	41%	0.411	S	S	*	.			trans	-65.9	0	178.7	0	0	0	0	0	113.4	S347 R364	S347-G403 WeakPolarHBondContact OG-CA 3.28Å; R364-G403 WeakPolarHBondContact CD-O 3.47Å; R364-G403 WeakPolarHBondContact CD-OXT 3.45Å; R364-G403 PolarHBondContact NE-OXT 2.75Å

Retrieved 403 of 403 residues in 161.8 ms (Link to these results)

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