A0A096LT57_POEFO Loading...

RAF proto-oncogene serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A096LT57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 651 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	33.2	Very low	29.4	Very low	233 Å²	233	160.7 Å²	160.7	100%	1.148	81%	0.81	S	S	*	*				0	143.5	0	-70.9	151.9	175.4	0	0	107.4
2	E	33.3	Very low	29.1	Very low	185 Å²	185	153.9 Å²	153.9	86%	0.864	79%	0.788	S	S	*	*			trans	37.6	138.2	154	-51.8	176.9	147.6	0	0	121.9
3	Q	31.2	Very low	29	Very low	157 Å²	157	154.8 Å²	154.8	73%	0.734	80%	0.796	S	S	*	*			cis	-160.7	135.6	-27.7	-103.6	-146.5	-16.2	0	0	108
4	F	30.7	Very low	28.7	Very low	156 Å²	156	148.4 Å²	148.4	68%	0.684	79%	0.787	S	S	*	*			trans	48.6	143.9	140.6	-70.5	-111.6	0	0	0	121.2
5	H	30.7	Very low	28.5	Very low	165 Å²	165	153.9 Å²	153.9	76%	0.764	80%	0.802	S	S	*	*			cis	-158.2	156.8	-13.1	-125.9	11.2	0	0	0	107.8
6	G	28.9	Very low	28.3	Very low	55 Å²	55	148.9 Å²	148.9	57%	0.567	80%	0.799	S	S	*	*				87.3	71.5	75.2	0	0	0	0	0	110.8
7	A	29.6	Very low	28.3	Very low	103 Å²	103	150.9 Å²	150.9	85%	0.851	81%	0.805	S	S	*	*				62.1	116.8	88.9	0	0	0	0	0	114.5
8	W	25	Very low	28.2	Very low	254 Å²	254	151.8 Å²	151.8	96%	0.962	80%	0.801	S	S	*	*			trans	-117.6	133.7	175.2	-87.5	57	0	0	0	110.9
9	K	27.9	Very low	28	Very low	193 Å²	193	150.4 Å²	150.4	84%	0.839	79%	0.794	S	S	*	*			trans	-157.3	121	173.6	-130.8	-175.1	-177.9	-177	0	114.4
10	T	27.4	Very low	27.9	Very low	109 Å²	109	148.1 Å²	148.1	67%	0.669	79%	0.79	S	S	*	*			trans	68.9	137.5	143.2	31.1	0	0	0	0	123.2
11	L	26.1	Very low	28.5	Very low	158 Å²	158	145.7 Å²	145.7	83%	0.827	78%	0.783	S	S	*	*			trans	73.2	153.2	149.9	-62.6	162.3	0	0	0	117.5
12	S	25.7	Very low	28.1	Very low	79 Å²	79	143.8 Å²	143.8	55%	0.552	77%	0.769	S	S	*	*			cis	-172.5	160.4	-17.3	49.6	0	0	0	0	111.5
13	N	27	Very low	27.8	Very low	166 Å²	166	143.6 Å²	143.6	89%	0.888	77%	0.768	S	S	*	*			trans	68.2	161.8	168.4	-49.7	-24	0	0	0	115.7
14	G	25	Very low	27.5	Very low	65 Å²	65	139.1 Å²	139.1	67%	0.67	76%	0.764	S	S	*	*			cis	163.2	143.7	-12.9	0	0	0	0	0	113.7
15	F	26.4	Very low	27.9	Very low	231 Å²	231	137.5 Å²	137.5	100%	1.013	77%	0.769	S	S	*	*			trans	65.8	149.6	171	-75.9	-91.2	0	0	0	120.5
16	G	25.5	Very low	27.6	Very low	73 Å²	73	135.2 Å²	135.2	75%	0.753	77%	0.77	S	S	*	*			trans	154.1	119.7	168.7	0	0	0	0	0	115.1
17	M	28	Very low	27.5	Very low	183 Å²	183	140.6 Å²	140.6	90%	0.901	79%	0.785	S	S	*	*			trans	-142.9	167.8	166.2	-87.2	-159.7	78.6	0	0	109.4
18	K	25.8	Very low	27.2	Very low	167 Å²	167	140.8 Å²	140.8	73%	0.726	78%	0.78	S	S	*	*			trans	75.3	152.2	174.3	-73.1	176.6	139.3	-77.5	0	115.5
19	D	24.7	Very low	28.3	Very low	125 Å²	125	134.2 Å²	134.2	67%	0.668	77%	0.77	S	S	*	*			cis	-142.6	-172.8	0.5	-108.4	-31.7	0	0	0	111.7
20	S	25.9	Very low	28.2	Very low	104 Å²	104	130.9 Å²	130.9	73%	0.727	77%	0.766	S	S	*	*			trans	-81	-168.8	-179.2	65.5	0	0	0	0	113.1
21	P	40.2	Very low	28.3	Very low	98 Å²	98	134.1 Å²	134.1	64%	0.636	78%	0.776	S	S	*	*			cis	-155.1	-172.6	33.1	45.3	-21.8	0	0	0	120.6
22	F	25.7	Very low	28.4	Very low	194 Å²	194	133.7 Å²	133.7	85%	0.851	78%	0.78	S	S	*	*			trans	60.8	157.8	163.9	-73.2	-76.3	0	0	0	119.1
23	E	26.5	Very low	28.6	Very low	181 Å²	181	138.2 Å²	138.2	85%	0.846	79%	0.792	S	S	*	*			cis	-145.4	179.5	12.8	-152.1	165.8	-138.5	0	0	113.2
24	G	25.6	Very low	28.5	Very low	63 Å²	63	133.7 Å²	133.7	65%	0.649	79%	0.785	S	S	*	*			trans	-106.3	-157.8	172.9	0	0	0	0	0	113.3
25	P	38.1	Very low	28.5	Very low	122 Å²	122	139 Å²	139	79%	0.792	79%	0.79	S	S	*	*			cis	-142.3	170.7	7.6	44.3	-25.9	0	0	0	118.3
26	C	25.4	Very low	28.4	Very low	116 Å²	116	133.6 Å²	133.6	78%	0.784	78%	0.776	S	S	*	*			trans	40.9	141.3	138.7	-64	0	0	0	0	127.3
27	L	26.4	Very low	28.4	Very low	168 Å²	168	135.6 Å²	135.6	88%	0.88	78%	0.777	S	S	*	*			trans	99.8	159	142	-76.5	160.1	0	0	0	122.8
28	S	23.9	Very low	28.4	Very low	107 Å²	107	133.8 Å²	133.8	75%	0.748	77%	0.766	S	S	*	*			trans	-131.8	-161.8	-159.5	-30.1	0	0	0	0	110.7
29	P	46.2	Very low	28.3	Very low	116 Å²	116	136.1 Å²	136.1	75%	0.753	77%	0.771	S	S	*	*			cis	-131.5	-156	-25.2	40.6	-21.9	0	0	0	111.7
30	T	27.1	Very low	28.6	Very low	123 Å²	123	141.7 Å²	141.7	76%	0.755	78%	0.782	S	S	*	*			trans	149.4	148.4	131.7	-61.8	0	0	0	0	114
31	M	29.1	Very low	28.5	Very low	178 Å²	178	141.8 Å²	141.8	88%	0.877	79%	0.79	S	S	*	*			trans	-108.3	152.4	170.9	-55.2	-168.4	-52.5	0	0	112
32	V	28.5	Very low	28	Very low	149 Å²	149	142.6 Å²	142.6	90%	0.903	80%	0.798	S	S	*	*			trans	-137.5	154.4	160.4	-176.3	0	0	0	0	109.7
33	Q	28.8	Very low	28.1	Very low	173 Å²	173	141.4 Å²	141.4	81%	0.808	80%	0.8	S	S	*	*			trans	-126	152.1	-164.2	-173.2	179.3	16.1	0	0	111.2
34	G	25.5	Very low	28.1	Very low	72 Å²	72	139.9 Å²	139.9	74%	0.742	80%	0.798	S	S	*	*			trans	-164.5	127.7	176.5	0	0	0	0	0	115.4
35	F	25	Very low	28	Very low	176 Å²	176	141.5 Å²	141.5	77%	0.772	80%	0.799	S	S	*	*			trans	-109	-179.8	166.7	-75	-95.6	0	0	0	108.3
36	T	24.8	Very low	27.4	Very low	118 Å²	118	145.1 Å²	145.1	72%	0.724	80%	0.802	S	S	*	*			cis	-168.8	153.3	27.6	-28.7	0	0	0	0	111.9
37	C	25.1	Very low	27.5	Very low	114 Å²	114	148.4 Å²	148.4	77%	0.77	81%	0.809	S	S	*	*			trans	61.9	160.3	155.9	-86.4	0	0	0	0	118.7
38	Q	27.5	Very low	27.4	Very low	146 Å²	146	147.5 Å²	147.5	68%	0.682	81%	0.81	S	S	*	*			cis	-142.3	-177.4	5.8	-131.2	175.6	44.8	0	0	107.8
39	R	25.1	Very low	27.4	Very low	216 Å²	216	147.6 Å²	147.6	82%	0.815	80%	0.802	S	S	*	*			cis	-146.8	-137.2	8.9	-162.7	175.6	-81.8	-167.6	-6.7	109.2
40	R	29.5	Very low	26.5	Very low	241 Å²	241	148.1 Å²	148.1	91%	0.909	81%	0.808	S	S	*	*			trans	-151	155.9	169.5	-77.4	-177.2	177.1	165.7	-2.6	109
41	A	25.6	Very low	26.5	Very low	107 Å²	107	150.5 Å²	150.5	88%	0.884	81%	0.808	S	S	*	*			trans	-151.3	156.7	151.9	0	0	0	0	0	108.6
42	S	29.7	Very low	26.3	Very low	115 Å²	115	147.1 Å²	147.1	80%	0.804	81%	0.809	S	S	*	*			trans	-152.9	142.9	179.5	-177.7	0	0	0	0	107.7
43	D	26.4	Very low	26.2	Very low	169 Å²	169	145.6 Å²	145.6	90%	0.904	80%	0.804	S	S	*	*			trans	-160.5	167.7	162.8	-116.7	-35.4	0	0	0	111.9
44	D	27.4	Very low	26	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	81%	0.807	S	S	*	*			trans	-119.9	175.2	-153.6	-149.4	-23.9	0	0	0	114.6
45	S	24	Very low	25.8	Very low	97 Å²	97	145 Å²	145	68%	0.678	80%	0.804	S	S	*	*			trans	100.4	151.7	147.5	85.3	0	0	0	0	122.4
46	K	25.1	Very low	25.7	Very low	197 Å²	197	144.5 Å²	144.5	86%	0.857	81%	0.807	S	S	*	*			trans	77.4	109.2	162.3	-69.7	-179.4	178.8	173.9	0	120.6
47	M	27	Very low	25.6	Very low	186 Å²	186	148.5 Å²	148.5	92%	0.916	81%	0.809	S	S	*	*			trans	-79.5	149.5	145.7	-80.8	-163.5	154.5	0	0	111.7
48	T	24.8	Very low	25.4	Very low	148 Å²	148	149 Å²	149	91%	0.908	81%	0.808	S	S	*	*			trans	-148.3	151.7	145.1	22	0	0	0	0	110.7
49	D	24.2	Very low	25.1	Very low	110 Å²	110	150.8 Å²	150.8	59%	0.588	81%	0.814	S	S	*	*			trans	-79.8	149.2	-171.7	-146.5	-18.2	0	0	0	112.3	K51	D49-K51 WeakPolarHBondContact OD1-CE 3.37Å; D49-K51 IonicContact OD1-NZ 2.76Å; D49-K51 WeakPolarHBondContact OD2-CE 3.45Å; D49-K51 IonicContact OD2-NZ 2.88Å; D49-K51 PolarHBondContact OD2-NZ 2.92Å
50	S	25.4	Very low	25.1	Very low	126 Å²	126	147.4 Å²	147.4	88%	0.881	81%	0.812	S	S	*	*			trans	-162	124	152.6	-86.5	0	0	0	0	111
51	K	28.4	Very low	24.7	Very low	174 Å²	174	141.9 Å²	141.9	76%	0.757	81%	0.807	S	S	*	*			trans	-103.9	135.4	-167.5	-69	161.1	-176.1	132.6	0	112.1	D49	D49-K51 WeakPolarHBondContact OD1-CE 3.37Å; D49-K51 IonicContact OD1-NZ 2.76Å; D49-K51 WeakPolarHBondContact OD2-CE 3.45Å; D49-K51 IonicContact OD2-NZ 2.88Å; D49-K51 PolarHBondContact OD2-NZ 2.92Å
52	A	24.2	Very low	24.6	Very low	107 Å²	107	143.2 Å²	143.2	88%	0.884	80%	0.799	S	S	*	*			trans	-131.1	142.4	150.6	0	0	0	0	0	108
53	S	27.7	Very low	24.4	Very low	116 Å²	116	145 Å²	145	81%	0.811	80%	0.795	S	S	*	*			trans	-107	145	-156.5	56.7	0	0	0	0	115.1
54	S	23.2	Very low	24.5	Very low	124 Å²	124	144.8 Å²	144.8	87%	0.867	79%	0.788	S	S	*	*			trans	-157.3	106.8	136.9	43.6	0	0	0	0	110.9
55	T	22.5	Very low	24.6	Very low	109 Å²	109	148.6 Å²	148.6	67%	0.669	79%	0.791	S	S	*	*			trans	-77	163.6	169.5	-10.6	0	0	0	0	109.8	R57	T55-R57 HydrophobicContact CG2-CG 4.41Å
56	I	22.5	Very low	24.7	Very low	165 Å²	165	151.1 Å²	151.1	85%	0.846	80%	0.803	S	S	*	*				-158	152.7	88.4	-91.4	162.9	0	0	0	110.6
57	R	23.2	Very low	24.8	Very low	202 Å²	202	145.3 Å²	145.3	76%	0.762	78%	0.783	S	S	*	*			trans	-82.9	160.8	-169.4	-50.6	173.6	-158.2	173.9	6.4	112.3	T55	T55-R57 HydrophobicContact CG2-CG 4.41Å
58	V	21.3	Very low	25.1	Very low	125 Å²	125	139.9 Å²	139.9	76%	0.758	76%	0.761	S	S	*	*			trans	-113	140	163.2	177.1	0	0	0	0	108.1
59	F	21.2	Very low	25.8	Very low	184 Å²	184	140.3 Å²	140.3	81%	0.807	75%	0.746	S	S	*	*			trans	-117.1	143.8	162.2	-99.3	-91.4	0	0	0	109.8
60	L	24.6	Very low	26.4	Very low	145 Å²	145	135.9 Å²	135.9	76%	0.759	72%	0.721	S	S	*	*			trans	-113	165.9	174.4	-73	165	0	0	0	108.7
61	P	21.3	Very low	27	Very low	124 Å²	124	135.8 Å²	135.8	81%	0.805	70%	0.702	S	S	*	*				-123	123.4	116.3	32.8	-29.7	0	0	0	113.8
62	N	23.5	Very low	27.5	Very low	135 Å²	135	127.7 Å²	127.7	72%	0.722	67%	0.667	S	S	*	*	S	Bend	trans	69.8	125.9	145	-78.3	8.8	0	0	0	123.9
63	H	25.7	Very low	28.3	Very low	154 Å²	154	127.4 Å²	127.4	71%	0.713	64%	0.643	S	S	*	*			trans	69.6	92.6	158.3	-67.9	-73.8	0	0	0	121.7
64	Q	28	Very low	29	Very low	163 Å²	163	123 Å²	123	76%	0.762	61%	0.61	S	S	*	*			trans	65.1	88.9	135.5	-61.5	-175.3	-0.3	0	0	119.3
65	R	28.1	Very low	30	Very low	230 Å²	230	123.2 Å²	123.2	87%	0.868	60%	0.597	S	S	*	*				-177.7	144.4	102.5	-94	160.3	-173.6	-169.4	1.2	110.1	V67	R65-V67 PolarHBondContact O-N 2.78Å
66	T	26.1	Very low	30.9	Very low	150 Å²	150	121.8 Å²	121.8	92%	0.92	59%	0.591	S	S	*	*			trans	-70.4	116.5	-178.9	-24.8	0	0	0	0	110.1
67	V	27.5	Very low	31.9	Very low	74 Å²	74	125.3 Å²	125.3	45%	0.448	59%	0.594	S	S	.	*			trans	-118.9	107.4	-179.9	178.7	0	0	0	0	109.9	R65 N83	R65-V67 PolarHBondContact O-N 2.78Å; V67-N83 HydrophobicContact CG1-CB 4.07Å
68	T	34.1	Very low	32.8	Very low	72 Å²	72	121.1 Å²	121.1	44%	0.442	59%	0.586	S	S	.	*			trans	-74.9	147.1	172.7	-3.1	0	0	0	0	111.2	I134	T68-I134 HydrophobicContact CG2-CD1 4.15Å; T68-I134 HydrophobicContact CG2-CG1 4.49Å; T68-I134 HydrophobicContact CG2-CG2 3.85Å
69	R	38.5	Very low	34.2	Very low	158 Å²	158	117.7 Å²	117.7	60%	0.596	57%	0.566	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-138.5	152	-161.6	-72.3	173.1	177.8	175.2	1.7	112.3	I81	R69-I81 HydrophobicContact CB-CG2 3.91Å; R69-I81 HydrophobicContact CG-CG2 3.97Å
70	F	36.8	Very low	35.7	Very low	16 Å²	16	109.8 Å²	109.8	7%	0.07	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.3	178.3	-71.7	-68.9	0	0	0	113.3	I81 V82 V84 L133 I134	F70-I81 VanDerWaalsContact O-CA 3.26Å; F70-I81 WeakPolarHBondContact O-CA 3.15Å; F70-V82 PolarHBondContact N-O 2.87Å; F70-V82 PolarHBondContact O-N 3.13Å; F70-V84 HydrophobicContact CD2-CB 4.16Å; F70-V84 HydrophobicContact CD2-CG2 3.51Å; F70-V84 HydrophobicContact CE2-CB 3.88Å; F70-V84 HydrophobicContact CE2-CG1 4.28Å; F70-V84 HydrophobicContact CE2-CG2 3.53Å; F70-L133 VanDerWaalsContact CE1-C 3.41Å; F70-L133 HydrophobicContact CE1-CB 3.98Å; F70-L133 WeakPolarHBondContact CE1-O 3.36Å; F70-L133 VanDerWaalsContact CZ-C 3.46Å; F70-L133 HydrophobicContact CZ-CB 3.89Å; F70-I134 HydrophobicContact CE1-CG1 4.34Å; F70-I134 HydrophobicContact CE2-CG1 4.01Å; F70-I134 HydrophobicContact CZ-CB 4.14Å; F70-I134 HydrophobicContact CZ-CG1 3.41Å; F70-I134 VanDerWaalsContact CZ-CG1 3.41Å
71	R	38.7	Very low	37.1	Very low	124 Å²	124	108.1 Å²	108.1	47%	0.468	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.1	172.4	-152.6	179.8	-153.8	151.1	3.5	110.3	T79 E137 L138	R71-T79 HydrophobicContact CG-CG2 4.05Å; R71-E137 HydrophobicContact CB-CG 4.28Å; R71-E137 VanDerWaalsContact CD-OE1 3.24Å; R71-E137 WeakPolarHBondContact CD-OE1 3.33Å; R71-L138 PolarHBondContact O-N 2.86Å; R71-L138 VanDerWaalsContact O-N 3.09Å
72	M	38.6	Very low	38.9	Very low	4 Å²	4	103 Å²	103	2%	0.02	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	123.8	171.8	-171.1	-165.6	84.7	0	0	109.3	L74 T79 S80 L94 L138 V140	M72-L74 HydrophobicContact CE-CD1 4.41Å; M72-T79 CarbonylContact O-C 3.57Å; M72-T79 VanDerWaalsContact O-CA 3.29Å; M72-T79 WeakPolarHBondContact O-CA 3.17Å; M72-S80 PolarHBondContact N-O 3.3Å; M72-S80 PolarHBondContact O-N 3.44Å; M72-L94 HydrophobicContact SD-CD2 3.86Å; M72-L138 CarbonylContact C-O 3.59Å; M72-L138 WeakPolarHBondContact CA-O 3.32Å; M72-V140 HydrophobicContact CG-CG2 3.77Å; M72-V140 HydrophobicContact SD-CG2 3.96Å
73	R	42.4	Very low	40.4	Very low	102 Å²	102	101.3 Å²	101.3	39%	0.385	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.8	164.7	-83.1	-179.2	158.1	106.6	0.7	109.9	T79 E137 L138 L139 V140	R73-T79 HydrophobicContact CG-CG2 3.68Å; R73-E137 IonicContact CZ-OE2 3.23Å; R73-E137 IonicContact NH1-OE1 3.74Å; R73-E137 PolarHBondContact NH1-OE1 2.75Å; R73-E137 IonicContact NH1-OE2 2.75Å; R73-E137 PolarHBondContact NH1-OE2 2.9Å; R73-L138 PolarHBondContact N-O 2.88Å; R73-L139 HydrophobicContact CB-CD1 3.88Å; R73-V140 PolarHBondContact O-N 2.88Å
74	L	42.4	Very low	42	Very low	23 Å²	23	94.9 Å²	94.9	12%	0.12	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	157.8	161.6	-151.1	79.2	0	0	0	107.9	M72 S76 R77 L103 V140	M72-L74 HydrophobicContact CE-CD1 4.41Å; L74-S76 PolarHBondContact O-N 2.8Å; L74-R77 PolarHBondContact O-N 3.31Å; L74-L103 HydrophobicContact CD1-CD1 4.41Å; L74-L103 HydrophobicContact CD2-CD1 4.27Å; L74-V140 HydrophobicContact CD1-CB 3.92Å; L74-V140 HydrophobicContact CD1-CG1 4.02Å; L74-V140 WeakPolarHBondContact CD1-O 3.39Å
75	Q	42.9	Very low	43.7	Very low	129 Å²	129	96 Å²	96	60%	0.603	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-11	-171.9	-133.9	161.6	-15.5	0	0	115
76	S	41.1	Very low	44.8	Very low	78 Å²	78	90.9 Å²	90.9	55%	0.545	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	34.1	176.7	54.6	0	0	0	0	114.6	L74 L78	L74-S76 PolarHBondContact O-N 2.8Å; S76-L78 PolarHBondContact O-N 2.67Å
77	R	43.2	Very low	46.5	Very low	239 Å²	239	87.1 Å²	87.1	90%	0.902	44%	0.438	S	S	*	.	S	Bend	trans	60.2	-12.6	175.7	-63.9	-173	177	-167.7	0.5	118	L74 T79	L74-R77 PolarHBondContact O-N 3.31Å; R77-T79 PolarHBondContact O-N 2.97Å
78	L	43.4	Very low	48.6	Very low	115 Å²	115	86 Å²	86	60%	0.602	43%	0.428	S	S	*	.			trans	-74.5	106.1	178.8	-71.9	169.6	0	0	0	112.3	S76	S76-L78 PolarHBondContact O-N 2.67Å
79	T	49.8	Very low	50.6	Low	53 Å²	53	84.9 Å²	84.9	33%	0.325	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.2	171.2	54.9	0	0	0	0	111.5	R71 M72 R73 R77	R71-T79 HydrophobicContact CG-CG2 4.05Å; M72-T79 CarbonylContact O-C 3.57Å; M72-T79 VanDerWaalsContact O-CA 3.29Å; M72-T79 WeakPolarHBondContact O-CA 3.17Å; R73-T79 HydrophobicContact CG-CG2 3.68Å; R77-T79 PolarHBondContact O-N 2.97Å
80	S	52.3	Low	52.3	Low	18 Å²	18	77.5 Å²	77.5	13%	0.126	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.7	171.4	-59.1	0	0	0	0	110.8	M72 R101	M72-S80 PolarHBondContact N-O 3.3Å; M72-S80 PolarHBondContact O-N 3.44Å; S80-R101 PolarHBondContact OG-NH2 2.93Å
81	I	55.3	Low	54.1	Low	110 Å²	110	82 Å²	82	56%	0.564	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.1	173.3	-60.4	177.8	0	0	0	109.3	R69 F70	R69-I81 HydrophobicContact CB-CG2 3.91Å; R69-I81 HydrophobicContact CG-CG2 3.97Å; F70-I81 VanDerWaalsContact O-CA 3.26Å; F70-I81 WeakPolarHBondContact O-CA 3.15Å
82	V	58.2	Low	55.7	Low	17 Å²	17	77.8 Å²	77.8	10%	0.103	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.1	178.9	-175.4	0	0	0	0	109.4	F70 C93 L94	F70-V82 PolarHBondContact N-O 2.87Å; F70-V82 PolarHBondContact O-N 3.13Å; V82-C93 HydrophobicContact CG1-CB 4.01Å; V82-L94 HydrophobicContact CG2-CD2 4.16Å
83	N	56.3	Low	57.2	Low	99 Å²	99	78.2 Å²	78.2	53%	0.529	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.1	175.1	-63.2	-35.2	0	0	0	109.3	V67	V67-N83 HydrophobicContact CG1-CB 4.07Å
84	V	59.3	Low	58.5	Low	18 Å²	18	73.6 Å²	73.6	11%	0.109	39%	0.387	C	S	.	.			trans	-108.1	153.5	-179	158.7	0	0	0	0	111.1	F70 S130	F70-V84 HydrophobicContact CD2-CB 4.16Å; F70-V84 HydrophobicContact CD2-CG2 3.51Å; F70-V84 HydrophobicContact CE2-CB 3.88Å; F70-V84 HydrophobicContact CE2-CG1 4.28Å; F70-V84 HydrophobicContact CE2-CG2 3.53Å; V84-S130 VanDerWaalsContact CG1-OG 3.26Å; V84-S130 WeakPolarHBondContact CG1-OG 3.34Å
85	R	62.1	Low	59.6	Low	188 Å²	188	73.5 Å²	73.5	71%	0.709	39%	0.386	S	S	*	.			trans	-130.3	152.1	170.6	-60	-179.4	175.1	-171.6	-3	109	M88	R85-M88 HydrophobicContact CB-CG 4.11Å; R85-M88 HydrophobicContact CB-SD 3.78Å; R85-M88 HydrophobicContact CG-SD 4.1Å; R85-M88 WeakPolarHBondContact O-CB 3.41Å; R85-M88 PolarHBondContact O-N 2.93Å
86	P	52.8	Low	60.5	Low	121 Å²	121	75.3 Å²	75.3	79%	0.786	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	138.6	173.3	-26.9	35.8	0	0	0	112.9	T131	P86-T131 HydrophobicContact CB-CG2 4.37Å
87	G	60.8	Low	61.4	Low	72 Å²	72	72.5 Å²	72.5	74%	0.742	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	14.3	179.7	0	0	0	0	0	115.5
88	M	71.1	Confident	62.3	Low	49 Å²	49	61.1 Å²	61.1	24%	0.241	33%	0.331	C	S	.	.			trans	-94.8	124.5	174.6	-73.4	-168	69.1	0	0	111.5	R85 S92 D129 S130	R85-M88 HydrophobicContact CB-CG 4.11Å; R85-M88 HydrophobicContact CB-SD 3.78Å; R85-M88 HydrophobicContact CG-SD 4.1Å; R85-M88 WeakPolarHBondContact O-CB 3.41Å; R85-M88 PolarHBondContact O-N 2.93Å; M88-S92 WeakPolarHBondContact CB-OG 3.44Å; M88-S92 VanDerWaalsContact CE-OG 3.3Å; M88-S92 WeakPolarHBondContact CE-OG 3.19Å; M88-D129 VanDerWaalsContact O-OD1 3.12Å; M88-S130 VanDerWaalsContact O-CB 3.28Å; M88-S130 WeakPolarHBondContact O-CB 3.33Å; M88-S130 PolarHBondContact O-N 2.85Å; M88-S130 PolarHBondContact O-OG 3.28Å
89	T	77.4	Confident	63.1	Low	49 Å²	49	62.4 Å²	62.4	30%	0.301	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-70.9	154.9	170	60.6	0	0	0	0	111.9	Y91 S92 C93 T128	T89-Y91 PolarHBondContact O-N 3.47Å; T89-S92 PolarHBondContact N-OG 3.43Å; T89-S92 WeakPolarHBondContact O-CA 3.27Å; T89-S92 WeakPolarHBondContact O-CB 3.32Å; T89-S92 PolarHBondContact O-N 2.94Å; T89-S92 PolarHBondContact O-OG 2.65Å; T89-S92 PolarHBondContact OG1-N 2.81Å; T89-C93 PolarHBondContact O-N 2.67Å; T89-T128 WeakPolarHBondContact CA-O 3.42Å
90	L	72.7	Confident	63.3	Low	3 Å²	3	65.8 Å²	65.8	2%	0.016	35%	0.352	C	S	.	.	H	α-helix	trans	-49.3	-41.6	174.4	-176.7	62.1	0	0	0	112.7	C93 L94 V110 M124 D125 W126 T128 L133 L138	L90-C93 PolarHBondContact O-N 2.6Å; L90-L94 HydrophobicContact CD1-CD1 3.69Å; L90-L94 HydrophobicContact CD1-CG 4.1Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.59Å; L90-V110 HydrophobicContact CD1-CG1 4.49Å; L90-V110 HydrophobicContact CD2-CB 4.11Å; L90-V110 HydrophobicContact CD2-CG1 4.01Å; L90-V110 HydrophobicContact CD2-CG2 4.24Å; L90-M124 HydrophobicContact CD2-CB 3.82Å; L90-D125 WeakPolarHBondContact CD2-O 3.44Å; L90-W126 HydrophobicContact CG-CE3 4.48Å; L90-T128 PolarHBondContact N-O 2.76Å; L90-L133 HydrophobicContact CD1-CD1 3.99Å; L90-L138 HydrophobicContact CD1-CD1 3.87Å
91	Y	74.6	Confident	63.3	Low	111 Å²	111	69.6 Å²	69.6	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-53.4	-52.7	170.8	179.7	-84.6	0	0	0	112.3	T89 C93 L94 I95 P105 W126	T89-Y91 PolarHBondContact O-N 3.47Å; Y91-C93 PolarHBondContact O-N 3.43Å; Y91-L94 PolarHBondContact O-N 2.98Å; Y91-I95 HydrophobicContact CD1-CB 4.43Å; Y91-I95 HydrophobicContact CE1-CB 4.19Å; Y91-I95 HydrophobicContact CE1-CD1 4.44Å; Y91-I95 HydrophobicContact CE1-CG1 4.1Å; Y91-I95 HydrophobicContact CE1-CG2 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 4.38Å; Y91-I95 WeakPolarHBondContact O-CB 3.04Å; Y91-I95 VanDerWaalsContact O-CG2 3.3Å; Y91-I95 WeakPolarHBondContact O-CG2 3.36Å; Y91-I95 PolarHBondContact O-N 2.82Å; Y91-P105 HydrophobicContact CD2-CB 4.3Å; Y91-P105 HydrophobicContact CD2-CG 4.1Å; Y91-P105 HydrophobicContact CE2-CB 4.26Å; Y91-P105 HydrophobicContact CE2-CG 3.77Å; Y91-W126 WeakPolarHBondContact CB-O 3.12Å; Y91-W126 HydrophobicContact CD2-CE3 4.49Å; Y91-W126 PolarHBondContact N-O 3.46Å
92	S	72.5	Confident	63	Low	35 Å²	35	65.2 Å²	65.2	25%	0.245	35%	0.345	C	S	.	.	H	α-helix	trans	-65.1	-27.2	-175.3	74.4	0	0	0	0	113.4	M88 T89	M88-S92 WeakPolarHBondContact CB-OG 3.44Å; M88-S92 VanDerWaalsContact CE-OG 3.3Å; M88-S92 WeakPolarHBondContact CE-OG 3.19Å; T89-S92 PolarHBondContact N-OG 3.43Å; T89-S92 WeakPolarHBondContact O-CA 3.27Å; T89-S92 WeakPolarHBondContact O-CB 3.32Å; T89-S92 PolarHBondContact O-N 2.94Å; T89-S92 PolarHBondContact O-OG 2.65Å; T89-S92 PolarHBondContact OG1-N 2.81Å
93	C	70.9	Confident	62.9	Low	13 Å²	13	65.1 Å²	65.1	9%	0.088	34%	0.344	C	S	.	.	H	α-helix	trans	-76.5	-46.7	174.5	-61.8	0	0	0	0	112.2	V82 T89 L90 Y91 S130	V82-C93 HydrophobicContact CG1-CB 4.01Å; T89-C93 PolarHBondContact O-N 2.67Å; L90-C93 PolarHBondContact O-N 2.6Å; Y91-C93 PolarHBondContact O-N 3.43Å; C93-S130 PolarHBondContact SG-OG 2.57Å; C93-S130 VanDerWaalsContact SG-OG 3.34Å
94	L	69.1	Low	62.9	Low	5 Å²	5	63 Å²	63	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-86.8	-26	-172.1	-62.1	-176.4	0	0	0	114.2	M72 V82 L90 Y91 K96 A97 L98 V110 W126 V140	M72-L94 HydrophobicContact SD-CD2 3.86Å; V82-L94 HydrophobicContact CG2-CD2 4.16Å; L90-L94 HydrophobicContact CD1-CD1 3.69Å; L90-L94 HydrophobicContact CD1-CG 4.1Å; L90-L94 HydrophobicContact CG-CD1 4.06Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 2.59Å; Y91-L94 PolarHBondContact O-N 2.98Å; L94-K96 PolarHBondContact O-N 3.39Å; L94-A97 PolarHBondContact O-N 2.8Å; L94-L98 HydrophobicContact CB-CD1 4Å; L94-L98 WeakPolarHBondContact O-CG 3.23Å; L94-L98 PolarHBondContact O-N 2.95Å; L94-V110 HydrophobicContact CD1-CG1 4.26Å; L94-V110 HydrophobicContact CD1-CG2 3.77Å; L94-W126 HydrophobicContact CB-CZ3 4.08Å; L94-W126 HydrophobicContact CD1-CH2 4.32Å; L94-W126 HydrophobicContact CD1-CZ3 3.88Å; L94-V140 HydrophobicContact CD1-CG2 4.21Å
95	I	65.5	Low	63.1	Low	22 Å²	22	62.7 Å²	62.7	11%	0.113	33%	0.329	C	S	.	.	H	α-helix	trans	-52	-34.7	-175.7	-173.8	57.6	0	0	0	113.8	Y91 K99 P105	Y91-I95 HydrophobicContact CD1-CB 4.43Å; Y91-I95 HydrophobicContact CE1-CB 4.19Å; Y91-I95 HydrophobicContact CE1-CD1 4.44Å; Y91-I95 HydrophobicContact CE1-CG1 4.1Å; Y91-I95 HydrophobicContact CE1-CG2 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 4.38Å; Y91-I95 WeakPolarHBondContact O-CB 3.04Å; Y91-I95 VanDerWaalsContact O-CG2 3.3Å; Y91-I95 WeakPolarHBondContact O-CG2 3.36Å; Y91-I95 PolarHBondContact O-N 2.82Å; I95-K99 HydrophobicContact CD1-CD 4.21Å; I95-K99 HydrophobicContact CD1-CG 4.22Å; I95-K99 HydrophobicContact CG1-CD 4.18Å; I95-K99 WeakPolarHBondContact O-CB 3.32Å; I95-K99 VanDerWaalsContact O-CG 3.26Å; I95-K99 WeakPolarHBondContact O-CG 3.39Å; I95-K99 PolarHBondContact O-N 3.1Å; I95-P105 HydrophobicContact CD1-CG 3.56Å
96	K	62	Low	63	Low	166 Å²	166	56.4 Å²	56.4	72%	0.722	31%	0.308	S	S	*	.	H	α-helix	trans	-72	-46.8	176.8	-66.8	-177.7	179.5	179.1	0	111.9	L94 L98 K99 V100	L94-K96 PolarHBondContact O-N 3.39Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.94Å; K96-K99 PolarHBondContact O-N 2.83Å; K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.42Å; K96-V100 VanDerWaalsContact O-N 3.13Å
97	A	60	Low	63.1	Low	19 Å²	19	50.8 Å²	50.8	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-67.3	-27.2	-179.4	0	0	0	0	0	113.2	L94 R101	L94-A97 PolarHBondContact O-N 2.8Å; A97-R101 PolarHBondContact O-NH1 3.3Å
98	L	63.1	Low	63.2	Low	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-78	-49.7	174	-67.2	166.9	0	0	0	111.8	L94 K96 V100 R101 G102 L103 P105 W126 V140	L94-L98 HydrophobicContact CB-CD1 4Å; L94-L98 WeakPolarHBondContact O-CG 3.23Å; L94-L98 PolarHBondContact O-N 2.95Å; K96-L98 VanDerWaalsContact C-N 3.26Å; K96-L98 PolarHBondContact O-N 2.94Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 2.88Å; L98-R101 CarbonylContact O-C 3.57Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 PolarHBondContact O-N 3.31Å; L98-G102 PolarHBondContact O-N 3.25Å; L98-L103 CarbonylContact C-O 3.59Å; L98-L103 HydrophobicContact CB-CB 4.27Å; L98-L103 HydrophobicContact CD2-CB 4.04Å; L98-L103 HydrophobicContact CD2-CD1 4.11Å; L98-L103 PolarHBondContact O-N 3.47Å; L98-L103 VanDerWaalsContact O-N 3.14Å; L98-P105 HydrophobicContact CD1-CB 4.18Å; L98-P105 HydrophobicContact CD1-CG 3.93Å; L98-W126 HydrophobicContact CD1-CH2 3.82Å; L98-W126 HydrophobicContact CD1-CZ3 4.23Å; L98-V140 HydrophobicContact CD2-CG1 4.32Å
99	K	59.5	Low	63.2	Low	141 Å²	141	45.5 Å²	45.5	61%	0.613	23%	0.228	S	C	*	.	H	α-helix	trans	-56.8	-40.7	177.6	-81.1	178.7	176	-177.2	0	113.1	I95 K96 R101 G102	I95-K99 HydrophobicContact CD1-CD 4.21Å; I95-K99 HydrophobicContact CD1-CG 4.22Å; I95-K99 HydrophobicContact CG1-CD 4.18Å; I95-K99 WeakPolarHBondContact O-CB 3.32Å; I95-K99 VanDerWaalsContact O-CG 3.26Å; I95-K99 WeakPolarHBondContact O-CG 3.39Å; I95-K99 PolarHBondContact O-N 3.1Å; K96-K99 PolarHBondContact O-N 2.83Å; K99-R101 PolarHBondContact O-N 2.97Å; K99-R101 VanDerWaalsContact O-N 3.16Å; K99-G102 PolarHBondContact O-N 3.3Å; K99-G102 VanDerWaalsContact O-N 3.08Å
100	V	53.3	Low	62.9	Low	125 Å²	125	43.2 Å²	43.2	76%	0.758	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.9	175	169	0	0	0	0	112.6	K96 L98	K96-V100 WeakPolarHBondContact O-CG2 3.36Å; K96-V100 PolarHBondContact O-N 3.42Å; K96-V100 VanDerWaalsContact O-N 3.13Å; L98-V100 VanDerWaalsContact C-N 3.31Å; L98-V100 PolarHBondContact O-N 2.88Å
101	R	52.6	Low	62.9	Low	98 Å²	98	44.4 Å²	44.4	37%	0.37	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	15.5	177.9	-64.4	179.9	172.5	86.8	-2.7	113.1	S80 A97 L98 K99 L103	S80-R101 PolarHBondContact OG-NH2 2.93Å; A97-R101 PolarHBondContact O-NH1 3.3Å; L98-R101 CarbonylContact O-C 3.57Å; L98-R101 WeakPolarHBondContact O-CA 3.49Å; L98-R101 PolarHBondContact O-N 3.31Å; K99-R101 PolarHBondContact O-N 2.97Å; K99-R101 VanDerWaalsContact O-N 3.16Å; R101-L103 PolarHBondContact O-N 2.94Å
102	G	50.2	Low	62.9	Low	18 Å²	18	40.9 Å²	40.9	19%	0.186	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-14.4	-177.8	0	0	0	0	0	115.5	L98 K99 T194 M195	L98-G102 PolarHBondContact O-N 3.25Å; K99-G102 PolarHBondContact O-N 3.3Å; K99-G102 VanDerWaalsContact O-N 3.08Å; G102-T194 PolarHBondContact O-OG1 3.12Å; G102-M195 WeakPolarHBondContact O-CG 3.42Å
103	L	54.7	Low	62.6	Low	14 Å²	14	41.1 Å²	41.1	7%	0.073	20%	0.204	C	C	.	.			trans	-71.4	139.8	-178.1	-63.7	174.1	0	0	0	111.7	L74 L98 R101 V142 L148	L74-L103 HydrophobicContact CD1-CD1 4.41Å; L74-L103 HydrophobicContact CD2-CD1 4.27Å; L98-L103 CarbonylContact C-O 3.59Å; L98-L103 HydrophobicContact CB-CB 4.27Å; L98-L103 HydrophobicContact CD2-CB 4.04Å; L98-L103 HydrophobicContact CD2-CD1 4.11Å; L98-L103 PolarHBondContact O-N 3.47Å; L98-L103 VanDerWaalsContact O-N 3.14Å; R101-L103 PolarHBondContact O-N 2.94Å; L103-V142 HydrophobicContact CD1-CG2 4.2Å; L103-V142 HydrophobicContact CD2-CG2 4.05Å; L103-L148 HydrophobicContact CD2-CD1 3.69Å
104	Q	57.7	Low	62.5	Low	56 Å²	56	44.8 Å²	44.8	26%	0.262	22%	0.22	S	C	.	.			trans	-100.1	143.9	165.3	-60.5	-162.4	-22.4	0	0	108.6	Q106 C107	Q104-Q106 HydrophobicContact CB-CG 3.97Å; Q104-Q106 PolarHBondContact O-N 3.41Å; Q104-C107 WeakPolarHBondContact O-CB 3.46Å; Q104-C107 PolarHBondContact O-N 3.46Å
105	P	63.6	Low	62	Low	11 Å²	11	50.3 Å²	50.3	7%	0.071	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-52.2	-33.4	-178.6	-26.6	33.3	0	0	0	113.4	Y91 I95 L98 C107 C108 W126	Y91-P105 HydrophobicContact CD2-CB 4.3Å; Y91-P105 HydrophobicContact CD2-CG 4.1Å; Y91-P105 HydrophobicContact CE2-CB 4.26Å; Y91-P105 HydrophobicContact CE2-CG 3.77Å; I95-P105 HydrophobicContact CD1-CG 3.56Å; L98-P105 HydrophobicContact CD1-CB 4.18Å; L98-P105 HydrophobicContact CD1-CG 3.93Å; P105-C107 PolarHBondContact O-N 2.89Å; P105-C108 PolarHBondContact O-N 2.69Å; P105-W126 HydrophobicContact CB-CD2 4.2Å; P105-W126 HydrophobicContact CB-CE3 4.23Å; P105-W126 HydrophobicContact CB-CH2 3.7Å; P105-W126 HydrophobicContact CB-CZ2 3.65Å; P105-W126 HydrophobicContact CB-CZ3 3.99Å; P105-W126 WeakPolarHBondContact O-CZ2 3.25Å
106	Q	59.2	Low	61.7	Low	56 Å²	56	53.2 Å²	53.2	26%	0.262	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-66.3	-12.2	179.2	86.5	-162.1	21.2	0	0	114.6	Q104 I202 L206	Q104-Q106 HydrophobicContact CB-CG 3.97Å; Q104-Q106 PolarHBondContact O-N 3.41Å; Q106-I202 HydrophobicContact CG-CG2 4.27Å; Q106-L206 HydrophobicContact CB-CD1 3.53Å; Q106-L206 HydrophobicContact CB-CD2 3.62Å; Q106-L206 HydrophobicContact CB-CG 4.19Å; Q106-L206 HydrophobicContact CG-CD1 3.8Å; Q106-L206 WeakPolarHBondContact O-CD2 3.29Å
107	C	55.4	Low	61.5	Low	2 Å²	2	50.7 Å²	50.7	1%	0.014	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-96.3	1.5	173.4	-51.7	0	0	0	0	112	Q104 P105 L143 I202	Q104-C107 WeakPolarHBondContact O-CB 3.46Å; Q104-C107 PolarHBondContact O-N 3.46Å; P105-C107 PolarHBondContact O-N 2.89Å; C107-L143 PolarHBondContact O-N 3.12Å; C107-I202 VanDerWaalsContact SG-CD1 3.58Å
108	C	63.1	Low	61.1	Low	6 Å²	6	62 Å²	62	4%	0.041	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.7	-167.9	-59.7	0	0	0	0	111.8	P105 W126 V140 E141	P105-C108 PolarHBondContact O-N 2.69Å; C108-W126 HydrophobicContact CB-CZ2 4.34Å; C108-V140 HydrophobicContact CB-CG1 3.82Å; C108-E141 CarbonylContact C-O 3.6Å; C108-E141 WeakPolarHBondContact CA-O 3.5Å; C108-E141 WeakPolarHBondContact CB-O 3.46Å
109	A	69.4	Low	60.7	Low	4 Å²	4	67.2 Å²	67.2	3%	0.033	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135.4	165.3	0	0	0	0	0	109.3	F111 V140 E141 L143	A109-F111 HydrophobicContact CB-CD2 4.26Å; A109-F111 HydrophobicContact CB-CE2 3.45Å; A109-F111 VanDerWaalsContact CB-CE2 3.45Å; A109-F111 HydrophobicContact CB-CZ 3.82Å; A109-V140 WeakPolarHBondContact O-CA 3.48Å; A109-E141 PolarHBondContact N-O 3.01Å; A109-E141 PolarHBondContact O-N 3.28Å; A109-L143 HydrophobicContact CB-CD2 4.06Å
110	V	72.6	Confident	60.6	Low	1 Å²	1	67 Å²	67	1%	0.006	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.7	172.1	-169.4	0	0	0	0	108.5	L90 L94 M124 W126 L138 V140	L90-V110 HydrophobicContact CD1-CG1 4.49Å; L90-V110 HydrophobicContact CD2-CB 4.11Å; L90-V110 HydrophobicContact CD2-CG1 4.01Å; L90-V110 HydrophobicContact CD2-CG2 4.24Å; L94-V110 HydrophobicContact CD1-CG1 4.26Å; L94-V110 HydrophobicContact CD1-CG2 3.77Å; V110-M124 HydrophobicContact CB-CB 4.3Å; V110-M124 HydrophobicContact CG1-CB 4.4Å; V110-M124 PolarHBondContact O-N 3.41Å; V110-W126 HydrophobicContact CG2-CE3 4.29Å; V110-W126 HydrophobicContact CG2-CH2 3.34Å; V110-W126 HydrophobicContact CG2-CZ2 3.64Å; V110-W126 HydrophobicContact CG2-CZ3 3.71Å; V110-L138 HydrophobicContact CG1-CB 4.34Å; V110-L138 HydrophobicContact CG1-CD1 4.35Å; V110-V140 HydrophobicContact CG1-CG2 4.16Å; V110-V140 HydrophobicContact CG2-CG2 4.15Å
111	F	72.1	Confident	61.1	Low	28 Å²	28	65.5 Å²	65.5	12%	0.123	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.2	176.2	-59.9	-92.4	0	0	0	110.6	A109 K121 S122 R123 L138 L139 E141	A109-F111 HydrophobicContact CB-CD2 4.26Å; A109-F111 HydrophobicContact CB-CE2 3.45Å; A109-F111 VanDerWaalsContact CB-CE2 3.45Å; A109-F111 HydrophobicContact CB-CZ 3.82Å; F111-K121 HydrophobicContact CB-CB 4Å; F111-K121 HydrophobicContact CB-CD 4.45Å; F111-K121 HydrophobicContact CD1-CB 4.05Å; F111-K121 HydrophobicContact CD1-CD 3.79Å; F111-K121 HydrophobicContact CD1-CG 3.78Å; F111-K121 HydrophobicContact CD2-CD 4.23Å; F111-K121 HydrophobicContact CE1-CD 3.99Å; F111-K121 HydrophobicContact CE1-CG 4.18Å; F111-K121 HydrophobicContact CE2-CD 4.41Å; F111-K121 HydrophobicContact CG-CB 4.23Å; F111-K121 HydrophobicContact CG-CD 3.91Å; F111-K121 HydrophobicContact CG-CG 4.23Å; F111-K121 HydrophobicContact CZ-CD 4.3Å; F111-S122 CarbonylContact C-O 3.59Å; F111-S122 VanDerWaalsContact CA-O 3.28Å; F111-S122 WeakPolarHBondContact CA-O 3.3Å; F111-R123 HydrophobicContact CD1-CB 4.06Å; F111-R123 HydrophobicContact CE1-CB 3.94Å; F111-R123 HydrophobicContact CE1-CG 4.38Å; F111-L138 CarbonylContact O-C 3.56Å; F111-L138 WeakPolarHBondContact O-CA 3.49Å; F111-L139 PolarHBondContact N-O 2.9Å; F111-L139 PolarHBondContact O-N 3.24Å; F111-E141 HydrophobicContact CD2-CG 4.17Å; F111-E141 HydrophobicContact CE2-CB 4.18Å; F111-E141 HydrophobicContact CE2-CG 4.08Å; F111-E141 WeakPolarHBondContact CE2-OE2 3.49Å
112	K	74.2	Confident	61.9	Low	37 Å²	37	62.6 Å²	62.6	16%	0.161	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	132.3	164.4	173.2	173.9	175	166.1	0	109.4	S122 M124 E136 L138	K112-S122 PolarHBondContact N-O 2.71Å; K112-S122 PolarHBondContact O-N 3.17Å; K112-S122 VanDerWaalsContact O-N 3.15Å; K112-M124 HydrophobicContact CB-CG 4.16Å; K112-M124 HydrophobicContact CB-SD 3.7Å; K112-E136 HydrophobicContact CD-CG 4.47Å; K112-E136 WeakPolarHBondContact CE-OE1 3.48Å; K112-E136 VanDerWaalsContact CE-OE2 3.25Å; K112-E136 WeakPolarHBondContact CE-OE2 3.32Å; K112-E136 IonicContact NZ-OE1 3.98Å; K112-E136 PolarHBondContact NZ-OE1 3.45Å; K112-E136 IonicContact NZ-OE2 2.64Å; K112-L138 HydrophobicContact CB-CD2 4.12Å
113	L	67	Low	63.1	Low	40 Å²	40	70 Å²	70	21%	0.209	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.5	172.7	-68	170.5	0	0	0	109.1	E137 L139	L113-E137 HydrophobicContact CB-CB 4.35Å; L113-E137 HydrophobicContact CD1-CB 4.14Å; L113-E137 PolarHBondContact N-O 3.28Å; L113-E137 VanDerWaalsContact N-O 3.09Å; L113-L139 HydrophobicContact CD1-CB 4.1Å; L113-L139 HydrophobicContact CD2-CB 4.26Å; L113-L139 HydrophobicContact CD2-CD2 4.36Å; L113-L139 HydrophobicContact CG-CB 4.07Å
114	H	69	Low	64	Low	91 Å²	91	71 Å²	71	42%	0.421	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-88.7	128	178.8	-69.6	-90.9	0	0	0	111.1	G116 Q117 K120 S122	H114-G116 PolarHBondContact O-N 2.99Å; H114-Q117 PolarHBondContact O-N 2.91Å; H114-K120 PolarHBondContact CD2-O 3.05Å; H114-S122 WeakPolarHBondContact NE2-CB 3.45Å; H114-S122 PolarHBondContact NE2-OG 2.93Å
115	P	57.5	Low	64.7	Low	121 Å²	121	72.5 Å²	72.5	79%	0.786	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	121.3	176.3	26.2	-32.9	0	0	0	110.1
116	G	59.1	Low	65.3	Low	82 Å²	82	74.3 Å²	74.3	85%	0.845	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	114	-26.4	179.5	0	0	0	0	0	115.4	H114	H114-G116 PolarHBondContact O-N 2.99Å
117	Q	57.9	Low	66.3	Low	114 Å²	114	77.1 Å²	77.1	53%	0.533	39%	0.394	S	S	.	.			trans	-130.3	94.2	179.4	-73	-169.9	-22.4	0	0	112.1	H114 S119 K120	H114-Q117 PolarHBondContact O-N 2.91Å; Q117-S119 PolarHBondContact O-N 2.92Å; Q117-K120 HydrophobicContact CB-CB 4.08Å; Q117-K120 PolarHBondContact O-N 2.95Å; Q117-K120 VanDerWaalsContact O-N 3.12Å
118	R	52.5	Low	67.4	Low	256 Å²	256	79 Å²	79	97%	0.966	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.3	-178	-75.1	-172.9	176.6	177.6	1.8	115.3
119	S	54.5	Low	68	Low	111 Å²	111	81.2 Å²	81.2	78%	0.776	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-18.2	179.5	48.8	0	0	0	0	114.4	Q117 K121	Q117-S119 PolarHBondContact O-N 2.92Å; S119-K121 PolarHBondContact O-N 2.97Å
120	K	56.2	Low	67.9	Low	136 Å²	136	81.2 Å²	81.2	59%	0.591	42%	0.416	S	S	*	.			trans	-95.8	93	-172.6	-162.6	170.5	-174.3	176.4	0	111	H114 Q117	H114-K120 PolarHBondContact CD2-O 3.05Å; Q117-K120 HydrophobicContact CB-CB 4.08Å; Q117-K120 PolarHBondContact O-N 2.95Å; Q117-K120 VanDerWaalsContact O-N 3.12Å
121	K	65.7	Low	67.6	Low	93 Å²	93	83.6 Å²	83.6	40%	0.404	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	129.1	175.9	66.5	177.5	175.2	177.1	0	111	F111 S119 E141	F111-K121 HydrophobicContact CB-CB 4Å; F111-K121 HydrophobicContact CB-CD 4.45Å; F111-K121 HydrophobicContact CD1-CB 4.05Å; F111-K121 HydrophobicContact CD1-CD 3.79Å; F111-K121 HydrophobicContact CD1-CG 3.78Å; F111-K121 HydrophobicContact CD2-CD 4.23Å; F111-K121 HydrophobicContact CE1-CD 3.99Å; F111-K121 HydrophobicContact CE1-CG 4.18Å; F111-K121 HydrophobicContact CE2-CD 4.41Å; F111-K121 HydrophobicContact CG-CB 4.23Å; F111-K121 HydrophobicContact CG-CD 3.91Å; F111-K121 HydrophobicContact CG-CG 4.23Å; F111-K121 HydrophobicContact CZ-CD 4.3Å; S119-K121 PolarHBondContact O-N 2.97Å; K121-E141 IonicContact NZ-OE1 2.63Å; K121-E141 PolarHBondContact NZ-OE1 2.61Å; K121-E141 IonicContact NZ-OE2 2.97Å; K121-E141 PolarHBondContact NZ-OE2 2.8Å
122	S	69.1	Low	67.3	Low	38 Å²	38	86.5 Å²	86.5	27%	0.266	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	125.9	176.8	53.6	0	0	0	0	110.8	F111 K112 H114	F111-S122 CarbonylContact C-O 3.59Å; F111-S122 VanDerWaalsContact CA-O 3.28Å; F111-S122 WeakPolarHBondContact CA-O 3.3Å; K112-S122 PolarHBondContact N-O 2.71Å; K112-S122 PolarHBondContact O-N 3.17Å; K112-S122 VanDerWaalsContact O-N 3.15Å; H114-S122 WeakPolarHBondContact NE2-CB 3.45Å; H114-S122 PolarHBondContact NE2-OG 2.93Å
123	R	73.9	Confident	66.9	Low	174 Å²	174	85.2 Å²	85.2	66%	0.657	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.9	-178.3	-173.7	177	178.8	173.4	0.7	110.6	F111	F111-R123 HydrophobicContact CD1-CB 4.06Å; F111-R123 HydrophobicContact CE1-CB 3.94Å; F111-R123 HydrophobicContact CE1-CG 4.38Å
124	M	74.5	Confident	66.6	Low	34 Å²	34	87.6 Å²	87.6	17%	0.167	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-103.6	148.2	-180	-57.8	-57.3	-58.3	0	0	110.9	L90 V110 K112 T128 L133	L90-M124 HydrophobicContact CD2-CB 3.82Å; V110-M124 HydrophobicContact CB-CB 4.3Å; V110-M124 HydrophobicContact CG1-CB 4.4Å; V110-M124 PolarHBondContact O-N 3.41Å; K112-M124 HydrophobicContact CB-CG 4.16Å; K112-M124 HydrophobicContact CB-SD 3.7Å; M124-T128 HydrophobicContact CE-CG2 4Å; M124-L133 HydrophobicContact CE-CD2 3.69Å
125	D	73.2	Confident	66.2	Low	87 Å²	87	86 Å²	86	47%	0.465	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-86	145.7	172	-174.8	-101.5	0	0	0	111.6	L90 N127 T128	L90-D125 WeakPolarHBondContact CD2-O 3.44Å; D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 WeakPolarHBondContact OD1-CA 3.43Å; D125-N127 WeakPolarHBondContact OD1-CB 3.38Å; D125-N127 PolarHBondContact OD1-N 3.48Å; D125-N127 PolarHBondContact OD1-ND2 3.31Å; D125-T128 WeakPolarHBondContact O-CB 3.49Å; D125-T128 PolarHBondContact O-N 3.21Å; D125-T128 PolarHBondContact O-OG1 3.04Å; D125-T128 VanDerWaalsContact O-OG1 3.12Å
126	W	74.5	Confident	66.7	Low	49 Å²	49	82.7 Å²	82.7	19%	0.186	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.9	-178.4	-75.7	109	0	0	0	113.9	L90 Y91 L94 L98 P105 C108 V110	L90-W126 HydrophobicContact CG-CE3 4.48Å; Y91-W126 WeakPolarHBondContact CB-O 3.12Å; Y91-W126 HydrophobicContact CD2-CE3 4.49Å; Y91-W126 PolarHBondContact N-O 3.46Å; L94-W126 HydrophobicContact CB-CZ3 4.08Å; L94-W126 HydrophobicContact CD1-CH2 4.32Å; L94-W126 HydrophobicContact CD1-CZ3 3.88Å; L98-W126 HydrophobicContact CD1-CH2 3.82Å; L98-W126 HydrophobicContact CD1-CZ3 4.23Å; P105-W126 HydrophobicContact CB-CD2 4.2Å; P105-W126 HydrophobicContact CB-CE3 4.23Å; P105-W126 HydrophobicContact CB-CH2 3.7Å; P105-W126 HydrophobicContact CB-CZ2 3.65Å; P105-W126 HydrophobicContact CB-CZ3 3.99Å; P105-W126 WeakPolarHBondContact O-CZ2 3.25Å; C108-W126 HydrophobicContact CB-CZ2 4.34Å; V110-W126 HydrophobicContact CG2-CE3 4.29Å; V110-W126 HydrophobicContact CG2-CH2 3.34Å; V110-W126 HydrophobicContact CG2-CZ2 3.64Å; V110-W126 HydrophobicContact CG2-CZ3 3.71Å
127	N	80.8	Confident	66.9	Low	116 Å²	116	81.5 Å²	81.5	62%	0.62	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.1	179.5	-49.6	-78.6	0	0	0	113.5	D125 D129	D125-N127 PolarHBondContact O-N 3.37Å; D125-N127 WeakPolarHBondContact OD1-CA 3.43Å; D125-N127 WeakPolarHBondContact OD1-CB 3.38Å; D125-N127 PolarHBondContact OD1-N 3.48Å; D125-N127 PolarHBondContact OD1-ND2 3.31Å; N127-D129 PolarHBondContact O-N 2.99Å
128	T	78.2	Confident	67.3	Low	42 Å²	42	76.5 Å²	76.5	26%	0.258	39%	0.393	S	S	.	.	S	Bend	trans	-54.8	134.6	175.5	-56.5	0	0	0	0	110.6	T89 L90 M124 D125 S130 L133	T89-T128 WeakPolarHBondContact CA-O 3.42Å; L90-T128 PolarHBondContact N-O 2.76Å; M124-T128 HydrophobicContact CE-CG2 4Å; D125-T128 WeakPolarHBondContact O-CB 3.49Å; D125-T128 PolarHBondContact O-N 3.21Å; D125-T128 PolarHBondContact O-OG1 3.04Å; D125-T128 VanDerWaalsContact O-OG1 3.12Å; T128-S130 PolarHBondContact O-N 3.23Å; T128-L133 HydrophobicContact CG2-CD2 4.21Å
129	D	76.1	Confident	67.9	Low	52 Å²	52	65.7 Å²	65.7	28%	0.278	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-66.4	132.6	175.5	-179.7	29.4	0	0	0	110.6	M88 N127 T131 S132	M88-D129 VanDerWaalsContact O-OD1 3.12Å; N127-D129 PolarHBondContact O-N 2.99Å; D129-T131 VanDerWaalsContact C-N 3.28Å; D129-T131 PolarHBondContact O-N 2.88Å; D129-T131 PolarHBondContact OD1-N 3.04Å; D129-T131 WeakPolarHBondContact OD2-CB 3.48Å; D129-T131 WeakPolarHBondContact OD2-CG2 3.27Å; D129-T131 PolarHBondContact OD2-OG1 3.17Å; D129-S132 PolarHBondContact O-N 3.35Å
130	S	66.6	Low	68.4	Low	3 Å²	3	60.4 Å²	60.4	2%	0.021	32%	0.318	C	S	.	.	S	Bend	trans	-77.2	-11.9	-177.9	62.5	0	0	0	0	113.5	V84 M88 C93 T128 L133	V84-S130 VanDerWaalsContact CG1-OG 3.26Å; V84-S130 WeakPolarHBondContact CG1-OG 3.34Å; M88-S130 VanDerWaalsContact O-CB 3.28Å; M88-S130 WeakPolarHBondContact O-CB 3.33Å; M88-S130 PolarHBondContact O-N 2.85Å; M88-S130 PolarHBondContact O-OG 3.28Å; C93-S130 PolarHBondContact SG-OG 2.57Å; C93-S130 VanDerWaalsContact SG-OG 3.34Å; T128-S130 PolarHBondContact O-N 3.23Å; S130-L133 PolarHBondContact O-N 2.87Å
131	T	66.9	Low	68.6	Low	51 Å²	51	55.8 Å²	55.8	31%	0.313	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-68.8	-38.6	171.3	79.4	0	0	0	0	112	P86 D129 L133 I134	P86-T131 HydrophobicContact CB-CG2 4.37Å; D129-T131 VanDerWaalsContact C-N 3.28Å; D129-T131 PolarHBondContact O-N 2.88Å; D129-T131 PolarHBondContact OD1-N 3.04Å; D129-T131 WeakPolarHBondContact OD2-CB 3.48Å; D129-T131 WeakPolarHBondContact OD2-CG2 3.27Å; D129-T131 PolarHBondContact OD2-OG1 3.17Å; T131-L133 PolarHBondContact O-N 2.89Å; T131-L133 VanDerWaalsContact O-N 3.08Å; T131-I134 VanDerWaalsContact O-CG1 3.32Å; T131-I134 WeakPolarHBondContact O-CG1 3.27Å; T131-I134 PolarHBondContact O-N 3.37Å
132	S	66.3	Low	68.1	Low	90 Å²	90	53 Å²	53	63%	0.629	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-68.1	-7.8	179.3	-45.5	0	0	0	0	113.6	D129	D129-S132 PolarHBondContact O-N 3.35Å
133	L	64.5	Low	67.7	Low	10 Å²	10	53.8 Å²	53.8	5%	0.052	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-89.5	-7.9	179.6	-54.1	-178	0	0	0	112.6	F70 L90 M124 T128 S130 T131 G135 E136 L138	F70-L133 VanDerWaalsContact CE1-C 3.41Å; F70-L133 HydrophobicContact CE1-CB 3.98Å; F70-L133 WeakPolarHBondContact CE1-O 3.36Å; F70-L133 VanDerWaalsContact CZ-C 3.46Å; F70-L133 HydrophobicContact CZ-CB 3.89Å; L90-L133 HydrophobicContact CD1-CD1 3.99Å; M124-L133 HydrophobicContact CE-CD2 3.69Å; T128-L133 HydrophobicContact CG2-CD2 4.21Å; S130-L133 PolarHBondContact O-N 2.87Å; T131-L133 PolarHBondContact O-N 2.89Å; T131-L133 VanDerWaalsContact O-N 3.08Å; L133-G135 PolarHBondContact O-N 2.86Å; L133-G135 VanDerWaalsContact O-N 3.16Å; L133-E136 VanDerWaalsContact O-CB 3.24Å; L133-E136 WeakPolarHBondContact O-CB 3.43Å; L133-E136 WeakPolarHBondContact O-CG 3.48Å; L133-E136 PolarHBondContact O-N 3.1Å; L133-E136 VanDerWaalsContact O-N 3.1Å; L133-L138 HydrophobicContact CD1-CD1 4.1Å
134	I	62.6	Low	66.2	Low	89 Å²	89	52.4 Å²	52.4	46%	0.456	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	11.1	79.9	166	-30.7	157.8	0	0	0	118.6	T68 F70 T131	T68-I134 HydrophobicContact CG2-CD1 4.15Å; T68-I134 HydrophobicContact CG2-CG1 4.49Å; T68-I134 HydrophobicContact CG2-CG2 3.85Å; F70-I134 HydrophobicContact CE1-CG1 4.34Å; F70-I134 HydrophobicContact CE2-CG1 4.01Å; F70-I134 HydrophobicContact CZ-CB 4.14Å; F70-I134 HydrophobicContact CZ-CG1 3.41Å; F70-I134 VanDerWaalsContact CZ-CG1 3.41Å; T131-I134 VanDerWaalsContact O-CG1 3.32Å; T131-I134 WeakPolarHBondContact O-CG1 3.27Å; T131-I134 PolarHBondContact O-N 3.37Å
135	G	59.5	Low	64.8	Low	59 Å²	59	57.8 Å²	57.8	61%	0.608	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-2.5	172.2	0	0	0	0	0	117.6	L133	L133-G135 PolarHBondContact O-N 2.86Å; L133-G135 VanDerWaalsContact O-N 3.16Å
136	E	67.2	Low	63.4	Low	51 Å²	51	54.3 Å²	54.3	24%	0.238	30%	0.302	C	S	.	.			trans	-73.1	157.5	-175.5	-61.1	-75.3	-173.1	0	0	114.8	K112 L133	K112-E136 HydrophobicContact CD-CG 4.47Å; K112-E136 WeakPolarHBondContact CE-OE1 3.48Å; K112-E136 VanDerWaalsContact CE-OE2 3.25Å; K112-E136 WeakPolarHBondContact CE-OE2 3.32Å; K112-E136 IonicContact NZ-OE1 3.98Å; K112-E136 PolarHBondContact NZ-OE1 3.45Å; K112-E136 IonicContact NZ-OE2 2.64Å; L133-E136 VanDerWaalsContact O-CB 3.24Å; L133-E136 WeakPolarHBondContact O-CB 3.43Å; L133-E136 WeakPolarHBondContact O-CG 3.48Å; L133-E136 PolarHBondContact O-N 3.1Å; L133-E136 VanDerWaalsContact O-N 3.1Å
137	E	63.8	Low	62.1	Low	57 Å²	57	55.7 Å²	55.7	27%	0.266	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.2	165.8	-73.1	-148.7	163.7	0	0	111.6	R71 R73 L113	R71-E137 HydrophobicContact CB-CG 4.28Å; R71-E137 VanDerWaalsContact CD-OE1 3.24Å; R71-E137 WeakPolarHBondContact CD-OE1 3.33Å; R73-E137 IonicContact CZ-OE2 3.23Å; R73-E137 IonicContact NH1-OE1 3.74Å; R73-E137 PolarHBondContact NH1-OE1 2.75Å; R73-E137 IonicContact NH1-OE2 2.75Å; R73-E137 PolarHBondContact NH1-OE2 2.9Å; L113-E137 HydrophobicContact CB-CB 4.35Å; L113-E137 HydrophobicContact CD1-CB 4.14Å; L113-E137 PolarHBondContact N-O 3.28Å; L113-E137 VanDerWaalsContact N-O 3.09Å
138	L	66.4	Low	60.6	Low	8 Å²	8	53 Å²	53	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.1	175.8	-59.1	-179.1	0	0	0	110.8	R71 M72 R73 L90 V110 F111 K112 L133	R71-L138 PolarHBondContact O-N 2.86Å; R71-L138 VanDerWaalsContact O-N 3.09Å; M72-L138 CarbonylContact C-O 3.59Å; M72-L138 WeakPolarHBondContact CA-O 3.32Å; R73-L138 PolarHBondContact N-O 2.88Å; L90-L138 HydrophobicContact CD1-CD1 3.87Å; V110-L138 HydrophobicContact CG1-CB 4.34Å; V110-L138 HydrophobicContact CG1-CD1 4.35Å; F111-L138 CarbonylContact O-C 3.56Å; F111-L138 WeakPolarHBondContact O-CA 3.49Å; K112-L138 HydrophobicContact CB-CD2 4.12Å; L133-L138 HydrophobicContact CD1-CD1 4.1Å
139	L	66.1	Low	59.7	Low	30 Å²	30	54 Å²	54	16%	0.157	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.9	170.2	-178.6	63.9	0	0	0	108.8	R73 F111 L113 E141	R73-L139 HydrophobicContact CB-CD1 3.88Å; F111-L139 PolarHBondContact N-O 2.9Å; F111-L139 PolarHBondContact O-N 3.24Å; L113-L139 HydrophobicContact CD1-CB 4.1Å; L113-L139 HydrophobicContact CD2-CB 4.26Å; L113-L139 HydrophobicContact CD2-CD2 4.36Å; L113-L139 HydrophobicContact CG-CB 4.07Å; L139-E141 HydrophobicContact CD2-CG 3.97Å; L139-E141 VanDerWaalsContact CD2-OE1 3.31Å; L139-E141 WeakPolarHBondContact CD2-OE1 3.2Å; L139-E141 HydrophobicContact CG-CG 3.94Å
140	V	64.1	Low	59.2	Low	0 Å²	0	56.5 Å²	56.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.4	171.3	-177.4	0	0	0	0	108.1	M72 R73 L74 L94 L98 C108 A109 V110	M72-V140 HydrophobicContact CG-CG2 3.77Å; M72-V140 HydrophobicContact SD-CG2 3.96Å; R73-V140 PolarHBondContact O-N 2.88Å; L74-V140 HydrophobicContact CD1-CB 3.92Å; L74-V140 HydrophobicContact CD1-CG1 4.02Å; L74-V140 WeakPolarHBondContact CD1-O 3.39Å; L94-V140 HydrophobicContact CD1-CG2 4.21Å; L98-V140 HydrophobicContact CD2-CG1 4.32Å; C108-V140 HydrophobicContact CB-CG1 3.82Å; A109-V140 WeakPolarHBondContact O-CA 3.48Å; V110-V140 HydrophobicContact CG1-CG2 4.16Å; V110-V140 HydrophobicContact CG2-CG2 4.15Å
141	E	61.1	Low	59.6	Low	38 Å²	38	57.7 Å²	57.7	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	146	178	-61.2	178.9	163.9	0	0	109.3	C108 A109 F111 K121 L139	C108-E141 CarbonylContact C-O 3.6Å; C108-E141 WeakPolarHBondContact CA-O 3.5Å; C108-E141 WeakPolarHBondContact CB-O 3.46Å; A109-E141 PolarHBondContact N-O 3.01Å; A109-E141 PolarHBondContact O-N 3.28Å; F111-E141 HydrophobicContact CD2-CG 4.17Å; F111-E141 HydrophobicContact CE2-CB 4.18Å; F111-E141 HydrophobicContact CE2-CG 4.08Å; F111-E141 WeakPolarHBondContact CE2-OE2 3.49Å; K121-E141 IonicContact NZ-OE1 2.63Å; K121-E141 PolarHBondContact NZ-OE1 2.61Å; K121-E141 IonicContact NZ-OE2 2.97Å; K121-E141 PolarHBondContact NZ-OE2 2.8Å; L139-E141 HydrophobicContact CD2-CG 3.97Å; L139-E141 VanDerWaalsContact CD2-OE1 3.31Å; L139-E141 WeakPolarHBondContact CD2-OE1 3.2Å; L139-E141 HydrophobicContact CG-CG 3.94Å
142	V	55.8	Low	60.3	Low	36 Å²	36	58.6 Å²	58.6	22%	0.218	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.5	167.3	175.9	0	0	0	0	107.2	L103 D144 L148	L103-V142 HydrophobicContact CD1-CG2 4.2Å; L103-V142 HydrophobicContact CD2-CG2 4.05Å; V142-D144 PolarHBondContact O-N 3.44Å; V142-L148 HydrophobicContact CG1-CD1 3.68Å
143	L	59.5	Low	61.3	Low	54 Å²	54	57.3 Å²	57.3	28%	0.283	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.6	119.1	179.1	-62.3	174.3	0	0	0	110.2	C107 A109 H145 V146	C107-L143 PolarHBondContact O-N 3.12Å; A109-L143 HydrophobicContact CB-CD2 4.06Å; L143-H145 PolarHBondContact O-N 3.5Å; L143-V146 HydrophobicContact CB-CG2 4.34Å; L143-V146 PolarHBondContact O-N 3.42Å
144	D	41.6	Very low	62.3	Low	144 Å²	144	60 Å²	60	77%	0.77	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-15.1	-170.8	-62.5	-65.5	0	0	0	115.1	V142 V146	V142-D144 PolarHBondContact O-N 3.44Å; D144-V146 VanDerWaalsContact C-N 3.31Å
145	H	45.1	Very low	63.6	Low	148 Å²	148	63.2 Å²	63.2	69%	0.685	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	7	177.6	-54.7	-28.4	0	0	0	113.9	L143 P147 L205	L143-H145 PolarHBondContact O-N 3.5Å; H145-P147 VanDerWaalsContact O-CD 3.29Å; H145-P147 WeakPolarHBondContact O-CD 3.21Å; H145-L205 HydrophobicContact CB-CD1 4.49Å
146	V	45.6	Very low	64.9	Low	14 Å²	14	65 Å²	65	9%	0.085	33%	0.331	C	S	.	.			trans	-101.5	104.5	176.4	-177.1	0	0	0	0	111.2	L143 D144 L148 I202	L143-V146 HydrophobicContact CB-CG2 4.34Å; L143-V146 PolarHBondContact O-N 3.42Å; D144-V146 VanDerWaalsContact C-N 3.31Å; V146-L148 VanDerWaalsContact C-N 3.33Å; V146-L148 HydrophobicContact CB-CG 4.48Å; V146-L148 HydrophobicContact CG1-CD2 3.54Å; V146-L148 HydrophobicContact CG1-CG 3.82Å; V146-L148 PolarHBondContact O-N 3.49Å; V146-I202 HydrophobicContact CG1-CD1 3.69Å; V146-I202 HydrophobicContact CG1-CG1 4.27Å; V146-I202 HydrophobicContact CG2-CD1 3.95Å; V146-I202 HydrophobicContact CG2-CG1 3.95Å
147	P	46.4	Very low	65.9	Low	78 Å²	78	66.4 Å²	66.4	51%	0.506	34%	0.343	S	S	.	.			trans	-70.5	90.1	168.2	29	-33.6	0	0	0	109.8	H145 T149	H145-P147 VanDerWaalsContact O-CD 3.29Å; H145-P147 WeakPolarHBondContact O-CD 3.21Å; P147-T149 PolarHBondContact O-N 3.31Å
148	L	49.7	Very low	66.9	Low	59 Å²	59	64.2 Å²	64.2	31%	0.309	33%	0.333	S	S	.	.			trans	-70.8	56.2	179.1	-73.1	179.7	0	0	0	112.8	L103 V142 V146 M195	L103-L148 HydrophobicContact CD2-CD1 3.69Å; V142-L148 HydrophobicContact CG1-CD1 3.68Å; V146-L148 VanDerWaalsContact C-N 3.33Å; V146-L148 HydrophobicContact CB-CG 4.48Å; V146-L148 HydrophobicContact CG1-CD2 3.54Å; V146-L148 HydrophobicContact CG1-CG 3.82Å; V146-L148 PolarHBondContact O-N 3.49Å; L148-M195 HydrophobicContact CB-CE 3.87Å; L148-M195 HydrophobicContact CD2-CE 4.06Å; L148-M195 HydrophobicContact CD2-CG 4.26Å; L148-M195 WeakPolarHBondContact O-CE 3.26Å
149	T	59.4	Low	67.6	Low	62 Å²	62	70.4 Å²	70.4	38%	0.38	37%	0.365	S	S	.	.			trans	-69.4	136.3	172	72.1	0	0	0	0	110.2	P147 C196	P147-T149 PolarHBondContact O-N 3.31Å; T149-C196 WeakPolarHBondContact O-CA 3.14Å; T149-C196 VanDerWaalsContact O-CB 3.26Å; T149-C196 WeakPolarHBondContact O-CB 3.4Å; T149-C196 PolarHBondContact O-N 2.75Å; T149-C196 WeakPolarHBondContact OG1-CB 3.42Å; T149-C196 PolarHBondContact OG1-O 3.36Å
150	T	64.7	Low	68.4	Low	106 Å²	106	73.9 Å²	73.9	65%	0.65	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-76.1	154.3	170.6	47.4	0	0	0	0	110.1	N152 M195	T150-N152 PolarHBondContact O-N 3.3Å; T150-M195 HydrophobicContact CG2-CE 4.27Å
151	H	75.1	Confident	69.3	Low	28 Å²	28	77.6 Å²	77.6	13%	0.13	40%	0.398	C	S	.	.			trans	-74.8	110.9	175.5	-79.1	-76.8	0	0	0	111.2	F153 C177 C180 P193 M195 C196	H151-F153 HydrophobicContact CB-CD1 4.24Å; H151-F153 HydrophobicContact CB-CD2 3.66Å; H151-F153 HydrophobicContact CB-CE1 3.82Å; H151-F153 HydrophobicContact CB-CE2 3.19Å; H151-F153 HydrophobicContact CB-CG 4.16Å; H151-F153 HydrophobicContact CB-CZ 3.27Å; H151-F153 AromaticContact CD2-CZ 3.61Å; H151-F153 AromaticContact CG-CE1 3.82Å; H151-F153 AromaticContact CG-CE2 3.67Å; H151-F153 AromaticContact CG-CZ 3.23Å; H151-F153 AromaticContact ND1-CE1 3.69Å; H151-F153 AromaticContact ND1-CZ 3.53Å; H151-F153 PolarHBondContact O-N 3.26Å; H151-C177 PolarHBondContact ND1-SG 3.33Å; H151-C180 VanDerWaalsContact CE1-SG 3.57Å; H151-P193 PolarHBondContact CD2-O 3.36Å; H151-P193 VanDerWaalsContact CD2-O 3.27Å; H151-P193 PolarHBondContact NE2-O 2.8Å; H151-M195 PolarHBondContact NE2-O 3.42Å; H151-C196 HydrophobicContact CB-CB 4.27Å; H151-C196 WeakPolarHBondContact ND1-CB 3.25Å
152	N	81.2	Confident	70.5	Confident	70 Å²	70	75.8 Å²	75.8	37%	0.374	39%	0.39	S	S	.	.			trans	-77.1	102.2	161	178.8	-6.5	0	0	0	108.8	T150 C177 Q178	T150-N152 PolarHBondContact O-N 3.3Å; N152-C177 CarbonylContact O-C 3.54Å; N152-C177 VanDerWaalsContact O-CA 3.23Å; N152-C177 WeakPolarHBondContact O-CA 3.3Å; N152-C177 PolarHBondContact O-SG 2.98Å; N152-Q178 PolarHBondContact ND2-OE1 2.71Å; N152-Q178 PolarHBondContact O-N 2.9Å
153	F	87.1	Confident	72	Confident	63 Å²	63	75.4 Å²	75.4	28%	0.276	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.4	179.8	-70	-57.4	0	0	0	112	H151 F175 C177 F184 V192	H151-F153 HydrophobicContact CB-CD1 4.24Å; H151-F153 HydrophobicContact CB-CD2 3.66Å; H151-F153 HydrophobicContact CB-CE1 3.82Å; H151-F153 HydrophobicContact CB-CE2 3.19Å; H151-F153 HydrophobicContact CB-CG 4.16Å; H151-F153 HydrophobicContact CB-CZ 3.27Å; H151-F153 AromaticContact CD2-CZ 3.61Å; H151-F153 AromaticContact CG-CE1 3.82Å; H151-F153 AromaticContact CG-CE2 3.67Å; H151-F153 AromaticContact CG-CZ 3.23Å; H151-F153 AromaticContact ND1-CE1 3.69Å; H151-F153 AromaticContact ND1-CZ 3.53Å; H151-F153 PolarHBondContact O-N 3.26Å; F153-F175 HydrophobicContact CB-CD1 4.45Å; F153-C177 HydrophobicContact CD1-CB 3.76Å; F153-C177 HydrophobicContact CE1-CB 3.62Å; F153-F184 AromaticContact CD1-CE1 3.69Å; F153-F184 HydrophobicContact CD1-CE1 3.69Å; F153-F184 HydrophobicContact CD1-CZ 4.42Å; F153-F184 HydrophobicContact CD2-CE1 4.42Å; F153-F184 HydrophobicContact CD2-CZ 4.48Å; F153-F184 HydrophobicContact CE1-CD1 4.25Å; F153-F184 AromaticContact CE1-CE1 3.48Å; F153-F184 HydrophobicContact CE1-CE1 3.48Å; F153-F184 VanDerWaalsContact CE1-CE1 3.48Å; F153-F184 HydrophobicContact CE1-CZ 4.4Å; F153-F184 HydrophobicContact CE2-CE1 4.23Å; F153-F184 HydrophobicContact CE2-CZ 4.44Å; F153-F184 HydrophobicContact CG-CE1 4.18Å; F153-F184 HydrophobicContact CG-CZ 4.48Å; F153-F184 AromaticContact CZ-CE1 3.79Å; F153-F184 HydrophobicContact CZ-CE1 3.79Å; F153-F184 HydrophobicContact CZ-CZ 4.42Å; F153-V192 HydrophobicContact CE1-CG1 4.43Å; F153-V192 HydrophobicContact CE2-CG1 3.85Å; F153-V192 HydrophobicContact CZ-CG1 3.42Å; F153-V192 VanDerWaalsContact CZ-CG1 3.42Å
154	V	85.7	Confident	73.3	Confident	65 Å²	65	72.9 Å²	72.9	39%	0.394	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	137.7	175.1	179.5	0	0	0	0	109.4	K156 F175 R176 Q178	V154-K156 PolarHBondContact O-N 3.13Å; V154-F175 WeakPolarHBondContact O-CA 3.48Å; V154-R176 PolarHBondContact N-O 2.89Å; V154-R176 PolarHBondContact O-N 2.85Å; V154-Q178 HydrophobicContact CG2-CG 3.9Å
155	R	89.9	Confident	75.3	Confident	157 Å²	157	67.3 Å²	67.3	59%	0.592	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	130.4	171.5	-76.1	-173.6	-177.4	-88.1	-1.2	109.2	G174 F175 E186	R155-G174 CarbonylContact C-O 3.56Å; R155-G174 WeakPolarHBondContact CA-O 3.43Å; R155-F175 HydrophobicContact CG-CD1 3.94Å; R155-F175 HydrophobicContact CG-CE1 3.45Å; R155-F175 VanDerWaalsContact CG-CE1 3.45Å; R155-F175 HydrophobicContact CG-CZ 3.87Å; R155-E186 IonicContact CZ-OE1 3.42Å; R155-E186 IonicContact CZ-OE2 3.64Å; R155-E186 VanDerWaalsContact NH1-CD 3.29Å; R155-E186 IonicContact NH1-OE1 2.76Å; R155-E186 PolarHBondContact NH1-OE1 3.39Å; R155-E186 IonicContact NH1-OE2 2.84Å; R155-E186 PolarHBondContact NH1-OE2 3.22Å; R155-E186 IonicContact NH2-OE1 2.81Å; R155-E186 PolarHBondContact NH2-OE1 3.26Å; R155-E186 IonicContact NH2-OE2 3.57Å
156	K	87.2	Confident	77.2	Confident	98 Å²	98	62.3 Å²	62.3	43%	0.426	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	132.6	-179.5	-178.1	163.1	-176.3	165.9	0	112	V154 Y158 G174 R176	V154-K156 PolarHBondContact O-N 3.13Å; K156-Y158 HydrophobicContact CB-CD2 4.45Å; K156-Y158 HydrophobicContact CB-CE2 3.93Å; K156-Y158 HydrophobicContact CD-CE1 4.37Å; K156-Y158 HydrophobicContact CD-CE2 4.44Å; K156-Y158 HydrophobicContact CG-CD2 4.12Å; K156-Y158 HydrophobicContact CG-CE2 3.95Å; K156-Y158 WeakPolarHBondContact O-CD2 3.28Å; K156-Y158 WeakPolarHBondContact O-CE2 3.46Å; K156-G174 PolarHBondContact N-O 3.27Å; K156-G174 PolarHBondContact O-N 2.9Å; K156-G174 VanDerWaalsContact O-N 3.13Å; K156-R176 HydrophobicContact CB-CB 4.42Å
157	T	88.5	Confident	79.1	Confident	79 Å²	79	63.7 Å²	63.7	49%	0.485	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.2	160.5	-57.4	0	0	0	0	109.5	L159 L172 N173	T157-L159 HydrophobicContact CG2-CD2 4.09Å; T157-L172 CarbonylContact C-O 3.52Å; T157-L172 WeakPolarHBondContact CA-O 3.07Å; T157-N173 WeakPolarHBondContact CB-OD1 3.5Å; T157-N173 WeakPolarHBondContact CG2-OD1 3.5Å; T157-N173 PolarHBondContact OG1-OD1 2.9Å
158	Y	84.7	Confident	80.9	Confident	11 Å²	11	63.2 Å²	63.2	4%	0.043	32%	0.321	C	S	.	.			trans	-110.9	99.5	-177.2	-68	-104.5	0	0	0	109.5	K156 K160 A162 L171 L172 R176 K183	K156-Y158 HydrophobicContact CB-CD2 4.45Å; K156-Y158 HydrophobicContact CB-CE2 3.93Å; K156-Y158 HydrophobicContact CD-CE1 4.37Å; K156-Y158 HydrophobicContact CD-CE2 4.44Å; K156-Y158 HydrophobicContact CG-CD2 4.12Å; K156-Y158 HydrophobicContact CG-CE2 3.95Å; K156-Y158 WeakPolarHBondContact O-CD2 3.28Å; K156-Y158 WeakPolarHBondContact O-CE2 3.46Å; Y158-K160 PolarHBondContact O-N 3.11Å; Y158-A162 HydrophobicContact CD1-CB 3.39Å; Y158-A162 HydrophobicContact CE1-CB 3.95Å; Y158-A162 HydrophobicContact CG-CB 3.87Å; Y158-L171 WeakPolarHBondContact CB-O 3.3Å; Y158-L171 HydrophobicContact CD2-CD2 4.39Å; Y158-L171 HydrophobicContact CD2-CG 4.18Å; Y158-L171 HydrophobicContact CE2-CD2 3.82Å; Y158-L171 HydrophobicContact CE2-CG 4.05Å; Y158-L172 PolarHBondContact N-O 3.39Å; Y158-R176 WeakPolarHBondContact OH-CB 3.39Å; Y158-K183 VanDerWaalsContact OH-CB 3.25Å; Y158-K183 WeakPolarHBondContact OH-CB 3.4Å
159	L	82.2	Confident	82.6	Confident	138 Å²	138	67.6 Å²	67.6	72%	0.723	34%	0.338	S	S	*	.	S	Bend	trans	-76.5	-10.5	176.8	-55.7	178.6	0	0	0	113.4	T157 N271	T157-L159 HydrophobicContact CG2-CD2 4.09Å; L159-N271 PolarHBondContact O-ND2 2.87Å
160	K	80.9	Confident	84	Confident	104 Å²	104	67 Å²	67	45%	0.452	33%	0.33	S	S	.	.	S	Bend	trans	-113.5	154.4	172.5	-68.9	-167	169.8	-169.1	0	109.8	Y158 A162 L612 H615	Y158-K160 PolarHBondContact O-N 3.11Å; K160-A162 PolarHBondContact O-N 3.46Å; K160-L612 HydrophobicContact CB-CD2 4.33Å; K160-H615 PolarHBondContact NZ-CD2 3.32Å; K160-H615 PolarHBondContact NZ-CE1 3.08Å; K160-H615 PolarHBondContact NZ-NE2 2.85Å
161	L	83.9	Confident	85.1	Confident	78 Å²	78	62 Å²	62	41%	0.408	30%	0.299	S	S	.	.			trans	-52.9	122.5	-178.5	-172.5	71	0	0	0	111.2	F163 F170 S608	L161-F163 HydrophobicContact CD1-CE2 4.4Å; L161-F163 HydrophobicContact CD1-CZ 4.2Å; L161-F163 HydrophobicContact CD2-CE2 3.96Å; L161-F163 HydrophobicContact CD2-CZ 4.16Å; L161-F163 HydrophobicContact CG-CE2 3.92Å; L161-F163 HydrophobicContact CG-CZ 4.18Å; L161-F170 HydrophobicContact CD1-CD2 3.82Å; L161-F170 HydrophobicContact CD1-CE2 4.01Å; L161-S608 PolarHBondContact O-OG 2.96Å
162	A	85.6	Confident	85.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.315	C	S	.	.			trans	-144.2	150.6	179.1	0	0	0	0	0	110.2	Y158 K160 F170 L171 L612	Y158-A162 HydrophobicContact CD1-CB 3.39Å; Y158-A162 HydrophobicContact CE1-CB 3.95Å; Y158-A162 HydrophobicContact CG-CB 3.87Å; K160-A162 PolarHBondContact O-N 3.46Å; A162-F170 WeakPolarHBondContact O-CA 3.38Å; A162-F170 VanDerWaalsContact O-CD2 3.3Å; A162-F170 WeakPolarHBondContact O-CD2 3.28Å; A162-L171 HydrophobicContact CB-CB 4.5Å; A162-L171 PolarHBondContact O-N 2.87Å; A162-L612 HydrophobicContact CB-CD1 3.93Å
163	F	87.4	Confident	86.2	Confident	28 Å²	28	66 Å²	66	12%	0.123	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-119.9	159.4	177.2	-61.2	-88.8	0	0	0	110.7	L161 Q168 K169 K183 P604 Q605	L161-F163 HydrophobicContact CD1-CE2 4.4Å; L161-F163 HydrophobicContact CD1-CZ 4.2Å; L161-F163 HydrophobicContact CD2-CE2 3.96Å; L161-F163 HydrophobicContact CD2-CZ 4.16Å; L161-F163 HydrophobicContact CG-CE2 3.92Å; L161-F163 HydrophobicContact CG-CZ 4.18Å; F163-Q168 WeakPolarHBondContact CD1-O 3.43Å; F163-K169 WeakPolarHBondContact CA-O 3.37Å; F163-K183 WeakPolarHBondContact O-CD 3.27Å; F163-K183 WeakPolarHBondContact O-CE 3.09Å; F163-K183 WeakPolarHBondContact O-CG 3.42Å; F163-P604 WeakPolarHBondContact CE2-O 3.47Å; F163-Q605 HydrophobicContact CB-CG 4.14Å; F163-Q605 HydrophobicContact CD1-CG 4Å; F163-Q605 HydrophobicContact CD2-CB 4.28Å; F163-Q605 HydrophobicContact CD2-CG 3.88Å; F163-Q605 HydrophobicContact CE1-CG 4.4Å; F163-Q605 HydrophobicContact CE2-CG 4.28Å; F163-Q605 HydrophobicContact CG-CB 4.5Å; F163-Q605 HydrophobicContact CG-CG 3.73Å
164	C	87.6	Confident	86.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.31	C	S	.	.			trans	-86.6	124.1	175.4	169	0	0	0	0	111.3	I166 C167 Q168 K169 K183 F184 H185	C164-I166 PolarHBondContact O-N 3.19Å; C164-C167 PolarHBondContact O-N 2.94Å; C164-C167 VanDerWaalsContact SG-SG 3.62Å; C164-Q168 VanDerWaalsContact O-CA 3.28Å; C164-Q168 WeakPolarHBondContact O-CA 3.38Å; C164-Q168 PolarHBondContact O-N 2.98Å; C164-K169 PolarHBondContact N-O 2.83Å; C164-K183 CarbonylContact C-O 3.51Å; C164-F184 VanDerWaalsContact SG-CA 3.58Å; C164-H185 WeakPolarHBondContact CB-CE1 3.44Å; C164-H185 WeakPolarHBondContact CB-ND1 3.31Å; C164-H185 PolarHBondContact SG-ND1 3.23Å; C164-H185 VanDerWaalsContact SG-ND1 3.42Å
165	D	84.3	Confident	86.6	Confident	28 Å²	28	61.9 Å²	61.9	15%	0.15	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	6.4	-179.7	-65.2	-6.2	0	0	0	113.9	Y182 K183 R587	D165-Y182 HydrophobicContact CB-CD2 3.93Å; D165-Y182 HydrophobicContact CB-CE1 4.3Å; D165-Y182 HydrophobicContact CB-CE2 3.48Å; D165-Y182 VanDerWaalsContact CB-CE2 3.48Å; D165-Y182 HydrophobicContact CB-CG 4.49Å; D165-Y182 PolarHBondContact O-OH 3.16Å; D165-Y182 WeakPolarHBondContact OD2-CA 2.89Å; D165-Y182 WeakPolarHBondContact OD2-CD2 3.44Å; D165-K183 WeakPolarHBondContact CB-O 3.03Å; D165-K183 VanDerWaalsContact CG-CG 3.48Å; D165-K183 PolarHBondContact N-O 3.05Å; D165-K183 WeakPolarHBondContact OD1-CG 3.2Å; D165-K183 IonicContact OD1-NZ 3.73Å; D165-K183 PolarHBondContact OD1-NZ 3.33Å; D165-K183 PolarHBondContact OD2-N 3.16Å; D165-K183 VanDerWaalsContact OD2-N 3.07Å; D165-R587 IonicContact OD2-CZ 3.69Å; D165-R587 IonicContact OD2-NH1 2.66Å; D165-R587 PolarHBondContact OD2-NH1 3.19Å; D165-R587 IonicContact OD2-NH2 2.68Å
166	I	84.9	Confident	86.4	Confident	43 Å²	43	58.5 Å²	58.5	22%	0.221	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-48.5	-179.2	-65.8	175.4	0	0	0	112.2	C164 Y182 F184 C188 K191 V192	C164-I166 PolarHBondContact O-N 3.19Å; I166-Y182 HydrophobicContact CD1-CE1 4.12Å; I166-Y182 HydrophobicContact CG1-CE1 4.21Å; I166-Y182 WeakPolarHBondContact CG1-OH 3.25Å; I166-F184 HydrophobicContact CD1-CB 3.98Å; I166-F184 HydrophobicContact CD1-CG 4.41Å; I166-F184 HydrophobicContact CG1-CB 4.49Å; I166-C188 HydrophobicContact CB-CB 4.1Å; I166-C188 HydrophobicContact CD1-CB 3.98Å; I166-C188 WeakPolarHBondContact CD1-O 3.48Å; I166-C188 HydrophobicContact CG2-CB 3.99Å; I166-K191 HydrophobicContact CD1-CB 4.15Å; I166-K191 HydrophobicContact CG2-CB 3.73Å; I166-K191 HydrophobicContact CG2-CD 3.86Å; I166-K191 HydrophobicContact CG2-CG 4.43Å; I166-V192 HydrophobicContact CD1-CB 4.28Å; I166-V192 HydrophobicContact CD1-CG2 3.51Å
167	C	84.7	Confident	86.2	Confident	43 Å²	43	53.9 Å²	53.9	29%	0.291	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.4	-176.8	77	0	0	0	0	113.6	C164 K169 H185	C164-C167 PolarHBondContact O-N 2.94Å; C164-C167 VanDerWaalsContact SG-SG 3.62Å; C167-K169 PolarHBondContact O-N 2.88Å; C167-H185 PolarHBondContact SG-CE1 2.91Å; C167-H185 PolarHBondContact SG-ND1 3.26Å
168	Q	83.6	Confident	85.8	Confident	68 Å²	68	53.4 Å²	53.4	32%	0.318	26%	0.259	S	S	.	.			trans	57.9	13.6	178	-62.4	-65.3	5.2	0	0	115.9	F163 C164 Q605	F163-Q168 WeakPolarHBondContact CD1-O 3.43Å; C164-Q168 VanDerWaalsContact O-CA 3.28Å; C164-Q168 WeakPolarHBondContact O-CA 3.38Å; C164-Q168 PolarHBondContact O-N 2.98Å; Q168-Q605 PolarHBondContact O-NE2 2.9Å; Q168-Q605 VanDerWaalsContact O-NE2 3.14Å
169	K	86.6	Confident	85.3	Confident	150 Å²	150	55.6 Å²	55.6	65%	0.652	27%	0.273	S	S	*	.	S	Bend	trans	-91.1	159.8	173	-60.7	-176.3	-179.2	-174.1	0	112	F163 C164 C167	F163-K169 WeakPolarHBondContact CA-O 3.37Å; C164-K169 PolarHBondContact N-O 2.83Å; C167-K169 PolarHBondContact O-N 2.88Å
170	F	88.2	Confident	84.8	Confident	51 Å²	51	49.7 Å²	49.7	22%	0.224	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-53.2	136.8	176.5	174.4	-116.9	0	0	0	112.5	L161 A162 L172 H185 T267	L161-F170 HydrophobicContact CD1-CD2 3.82Å; L161-F170 HydrophobicContact CD1-CE2 4.01Å; A162-F170 WeakPolarHBondContact O-CA 3.38Å; A162-F170 VanDerWaalsContact O-CD2 3.3Å; A162-F170 WeakPolarHBondContact O-CD2 3.28Å; F170-L172 HydrophobicContact CE1-CB 3.84Å; F170-L172 HydrophobicContact CZ-CB 4.09Å; F170-L172 HydrophobicContact CZ-CD1 4.38Å; F170-H185 PolarHBondContact O-CE1 3.21Å; F170-H185 PolarHBondContact O-NE2 3.22Å; F170-T267 HydrophobicContact CD1-CG2 4.01Å
171	L	88.4	Confident	84.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.			trans	-123.5	88.9	-171	180	65.6	0	0	0	110.1	Y158 A162 N173 K183 H185	Y158-L171 WeakPolarHBondContact CB-O 3.3Å; Y158-L171 HydrophobicContact CD2-CD2 4.39Å; Y158-L171 HydrophobicContact CD2-CG 4.18Å; Y158-L171 HydrophobicContact CE2-CD2 3.82Å; Y158-L171 HydrophobicContact CE2-CG 4.05Å; A162-L171 HydrophobicContact CB-CB 4.5Å; A162-L171 PolarHBondContact O-N 2.87Å; L171-N173 WeakPolarHBondContact CD1-O 3.45Å; L171-K183 HydrophobicContact CD2-CB 3.88Å; L171-K183 HydrophobicContact CD2-CG 4.41Å; L171-H185 HydrophobicContact CD1-CB 4.29Å; L171-H185 WeakPolarHBondContact CD1-CD2 3.26Å
172	L	89.5	Confident	84.6	Confident	88 Å²	88	43 Å²	43	46%	0.461	21%	0.213	S	C	.	.	S	Bend	trans	-76.4	-47.3	173.6	-179.5	62.6	0	0	0	112.1	T157 Y158 F170	T157-L172 CarbonylContact C-O 3.52Å; T157-L172 WeakPolarHBondContact CA-O 3.07Å; Y158-L172 PolarHBondContact N-O 3.39Å; F170-L172 HydrophobicContact CE1-CB 3.84Å; F170-L172 HydrophobicContact CZ-CB 4.09Å; F170-L172 HydrophobicContact CZ-CD1 4.38Å
173	N	88.9	Confident	84.7	Confident	93 Å²	93	43.8 Å²	43.8	50%	0.497	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.3	179.7	-74.2	-35.3	0	0	0	109.6	T157 L171	T157-N173 WeakPolarHBondContact CB-OD1 3.5Å; T157-N173 WeakPolarHBondContact CG2-OD1 3.5Å; T157-N173 PolarHBondContact OG1-OD1 2.9Å; L171-N173 WeakPolarHBondContact CD1-O 3.45Å
174	G	91.2	Very high	84.9	Confident	6 Å²	6	42.9 Å²	42.9	6%	0.062	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.3	-145.4	176.8	0	0	0	0	0	111.8	R155 K156 F184	R155-G174 CarbonylContact C-O 3.56Å; R155-G174 WeakPolarHBondContact CA-O 3.43Å; K156-G174 PolarHBondContact N-O 3.27Å; K156-G174 PolarHBondContact O-N 2.9Å; K156-G174 VanDerWaalsContact O-N 3.13Å; G174-F184 WeakPolarHBondContact CA-O 3.32Å
175	F	89.8	Confident	85	Confident	37 Å²	37	44 Å²	44	16%	0.162	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.9	-176.4	-64.8	-94.4	0	0	0	111.2	F153 V154 R155 K183 F184 E186	F153-F175 HydrophobicContact CB-CD1 4.45Å; V154-F175 WeakPolarHBondContact O-CA 3.48Å; R155-F175 HydrophobicContact CG-CD1 3.94Å; R155-F175 HydrophobicContact CG-CE1 3.45Å; R155-F175 VanDerWaalsContact CG-CE1 3.45Å; R155-F175 HydrophobicContact CG-CZ 3.87Å; F175-K183 WeakPolarHBondContact O-CA 3.48Å; F175-F184 HydrophobicContact CB-CD1 4.11Å; F175-F184 HydrophobicContact CB-CE1 3.48Å; F175-F184 VanDerWaalsContact CB-CE1 3.48Å; F175-F184 HydrophobicContact CB-CE2 4.1Å; F175-F184 HydrophobicContact CB-CZ 3.47Å; F175-F184 VanDerWaalsContact CB-CZ 3.47Å; F175-F184 AromaticContact CD2-CE2 3.91Å; F175-F184 HydrophobicContact CD2-CE2 3.91Å; F175-F184 AromaticContact CD2-CZ 3.99Å; F175-F184 HydrophobicContact CD2-CZ 3.99Å; F175-F184 HydrophobicContact CG-CE1 4.37Å; F175-F184 HydrophobicContact CG-CE2 4.25Å; F175-F184 AromaticContact CG-CZ 3.85Å; F175-F184 HydrophobicContact CG-CZ 3.85Å; F175-F184 PolarHBondContact N-O 3.24Å; F175-F184 PolarHBondContact O-N 2.97Å; F175-E186 HydrophobicContact CE2-CB 3.9Å; F175-E186 HydrophobicContact CE2-CG 3.91Å
176	R	86.3	Confident	85.2	Confident	86 Å²	86	47.3 Å²	47.3	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.4	172.1	-167.4	179.3	173.3	-93.4	8.7	110.2	V154 K156 Y158 Q178 Y182	V154-R176 PolarHBondContact N-O 2.89Å; V154-R176 PolarHBondContact O-N 2.85Å; K156-R176 HydrophobicContact CB-CB 4.42Å; Y158-R176 WeakPolarHBondContact OH-CB 3.39Å; R176-Q178 PolarHBondContact O-N 2.75Å; R176-Y182 CarbonylContact C-O 3.39Å; R176-Y182 WeakPolarHBondContact CA-O 3.19Å
177	C	83.8	Confident	85.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.6	166.5	-174	0	0	0	0	109.8	H151 N152 F153 T179 C180 G181 Y182	H151-C177 PolarHBondContact ND1-SG 3.33Å; N152-C177 CarbonylContact O-C 3.54Å; N152-C177 VanDerWaalsContact O-CA 3.23Å; N152-C177 WeakPolarHBondContact O-CA 3.3Å; N152-C177 PolarHBondContact O-SG 2.98Å; F153-C177 HydrophobicContact CD1-CB 3.76Å; F153-C177 HydrophobicContact CE1-CB 3.62Å; C177-T179 PolarHBondContact SG-N 2.82Å; C177-C180 VanDerWaalsContact SG-SG 3.62Å; C177-G181 WeakPolarHBondContact O-CA 3.43Å; C177-G181 PolarHBondContact O-N 2.57Å; C177-Y182 PolarHBondContact N-O 3.24Å
178	Q	79.2	Confident	85.4	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-42.5	173.9	-71.9	-175.7	-35.9	0	0	111.1	N152 V154 R176	N152-Q178 PolarHBondContact ND2-OE1 2.71Å; N152-Q178 PolarHBondContact O-N 2.9Å; V154-Q178 HydrophobicContact CG2-CG 3.9Å; R176-Q178 PolarHBondContact O-N 2.75Å
179	T	73.9	Confident	85.5	Confident	57 Å²	57	48.3 Å²	48.3	35%	0.35	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-37.8	-171.6	-41.5	0	0	0	0	115.4	C177	C177-T179 PolarHBondContact SG-N 2.82Å
180	C	71.7	Confident	85.1	Confident	14 Å²	14	47.3 Å²	47.3	10%	0.095	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-0.6	-176.6	69	0	0	0	0	114.6	H151 C177 Y182 C196 R587	H151-C180 VanDerWaalsContact CE1-SG 3.57Å; C177-C180 VanDerWaalsContact SG-SG 3.62Å; C180-Y182 PolarHBondContact O-N 3.48Å; C180-C196 PolarHBondContact SG-SG 3.43Å; C180-R587 PolarHBondContact O-NE 2.9Å; C180-R587 VanDerWaalsContact O-NE 3.14Å; C180-R587 PolarHBondContact O-NH2 3.18Å
181	G	78.1	Confident	84.6	Confident	9 Å²	9	52.3 Å²	52.3	9%	0.093	27%	0.267	C	S	.	.			trans	71.1	5.8	179.6	0	0	0	0	0	115.9	C177 K183 R587	C177-G181 WeakPolarHBondContact O-CA 3.43Å; C177-G181 PolarHBondContact O-N 2.57Å; G181-K183 PolarHBondContact O-N 2.91Å; G181-R587 PolarHBondContact O-NH2 3.22Å
182	Y	82.6	Confident	84.1	Confident	32 Å²	32	53.5 Å²	53.5	13%	0.125	27%	0.274	C	S	.	.			trans	-57.5	129.5	-179	-166.5	-98.3	0	0	0	110.7	D165 I166 R176 C177 C180 F184 V192 R587	D165-Y182 HydrophobicContact CB-CD2 3.93Å; D165-Y182 HydrophobicContact CB-CE1 4.3Å; D165-Y182 HydrophobicContact CB-CE2 3.48Å; D165-Y182 VanDerWaalsContact CB-CE2 3.48Å; D165-Y182 HydrophobicContact CB-CG 4.49Å; D165-Y182 PolarHBondContact O-OH 3.16Å; D165-Y182 WeakPolarHBondContact OD2-CA 2.89Å; D165-Y182 WeakPolarHBondContact OD2-CD2 3.44Å; I166-Y182 HydrophobicContact CD1-CE1 4.12Å; I166-Y182 HydrophobicContact CG1-CE1 4.21Å; I166-Y182 WeakPolarHBondContact CG1-OH 3.25Å; R176-Y182 CarbonylContact C-O 3.39Å; R176-Y182 WeakPolarHBondContact CA-O 3.19Å; C177-Y182 PolarHBondContact N-O 3.24Å; C180-Y182 PolarHBondContact O-N 3.48Å; Y182-F184 HydrophobicContact CD1-CD1 4.23Å; Y182-F184 HydrophobicContact CE1-CD1 4.47Å; Y182-V192 HydrophobicContact CD1-CG1 4.33Å; Y182-V192 HydrophobicContact CE1-CG1 4.11Å; Y182-R587 VanDerWaalsContact N-NH2 3.18Å
183	K	88.4	Confident	83.2	Confident	18 Å²	18	50.7 Å²	50.7	8%	0.078	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	-163.6	54.7	-175.8	-167.7	-51.3	0	112.6	Y158 F163 C164 D165 L171 F175 G181 S609	Y158-K183 VanDerWaalsContact OH-CB 3.25Å; Y158-K183 WeakPolarHBondContact OH-CB 3.4Å; F163-K183 WeakPolarHBondContact O-CD 3.27Å; F163-K183 WeakPolarHBondContact O-CE 3.09Å; F163-K183 WeakPolarHBondContact O-CG 3.42Å; C164-K183 CarbonylContact C-O 3.51Å; D165-K183 WeakPolarHBondContact CB-O 3.03Å; D165-K183 VanDerWaalsContact CG-CG 3.48Å; D165-K183 PolarHBondContact N-O 3.05Å; D165-K183 WeakPolarHBondContact OD1-CG 3.2Å; D165-K183 IonicContact OD1-NZ 3.73Å; D165-K183 PolarHBondContact OD1-NZ 3.33Å; D165-K183 PolarHBondContact OD2-N 3.16Å; D165-K183 VanDerWaalsContact OD2-N 3.07Å; L171-K183 HydrophobicContact CD2-CB 3.88Å; L171-K183 HydrophobicContact CD2-CG 4.41Å; F175-K183 WeakPolarHBondContact O-CA 3.48Å; G181-K183 PolarHBondContact O-N 2.91Å; K183-S609 PolarHBondContact NZ-OG 3.09Å
184	F	90.7	Very high	82.1	Confident	8 Å²	8	49.8 Å²	49.8	4%	0.035	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.2	-174.8	68.6	-78	0	0	0	115	F153 C164 I166 G174 F175 Y182 C188 V192	F153-F184 AromaticContact CD1-CE1 3.69Å; F153-F184 HydrophobicContact CD1-CE1 3.69Å; F153-F184 HydrophobicContact CD1-CZ 4.42Å; F153-F184 HydrophobicContact CD2-CE1 4.42Å; F153-F184 HydrophobicContact CD2-CZ 4.48Å; F153-F184 HydrophobicContact CE1-CD1 4.25Å; F153-F184 AromaticContact CE1-CE1 3.48Å; F153-F184 HydrophobicContact CE1-CE1 3.48Å; F153-F184 VanDerWaalsContact CE1-CE1 3.48Å; F153-F184 HydrophobicContact CE1-CZ 4.4Å; F153-F184 HydrophobicContact CE2-CE1 4.23Å; F153-F184 HydrophobicContact CE2-CZ 4.44Å; F153-F184 HydrophobicContact CG-CE1 4.18Å; F153-F184 HydrophobicContact CG-CZ 4.48Å; F153-F184 AromaticContact CZ-CE1 3.79Å; F153-F184 HydrophobicContact CZ-CE1 3.79Å; F153-F184 HydrophobicContact CZ-CZ 4.42Å; C164-F184 VanDerWaalsContact SG-CA 3.58Å; I166-F184 HydrophobicContact CD1-CB 3.98Å; I166-F184 HydrophobicContact CD1-CG 4.41Å; I166-F184 HydrophobicContact CG1-CB 4.49Å; G174-F184 WeakPolarHBondContact CA-O 3.32Å; F175-F184 HydrophobicContact CB-CD1 4.11Å; F175-F184 HydrophobicContact CB-CE1 3.48Å; F175-F184 VanDerWaalsContact CB-CE1 3.48Å; F175-F184 HydrophobicContact CB-CE2 4.1Å; F175-F184 HydrophobicContact CB-CZ 3.47Å; F175-F184 VanDerWaalsContact CB-CZ 3.47Å; F175-F184 AromaticContact CD2-CE2 3.91Å; F175-F184 HydrophobicContact CD2-CE2 3.91Å; F175-F184 AromaticContact CD2-CZ 3.99Å; F175-F184 HydrophobicContact CD2-CZ 3.99Å; F175-F184 HydrophobicContact CG-CE1 4.37Å; F175-F184 HydrophobicContact CG-CE2 4.25Å; F175-F184 AromaticContact CG-CZ 3.85Å; F175-F184 HydrophobicContact CG-CZ 3.85Å; F175-F184 PolarHBondContact N-O 3.24Å; F175-F184 PolarHBondContact O-N 2.97Å; Y182-F184 HydrophobicContact CD1-CD1 4.23Å; Y182-F184 HydrophobicContact CE1-CD1 4.47Å; F184-C188 HydrophobicContact CB-CB 4.29Å; F184-C188 HydrophobicContact CD2-CB 4.33Å; F184-V192 HydrophobicContact CB-CG2 4.49Å; F184-V192 HydrophobicContact CD1-CG2 3.83Å; F184-V192 HydrophobicContact CD2-CG2 3.44Å; F184-V192 VanDerWaalsContact CD2-CG2 3.44Å; F184-V192 HydrophobicContact CE1-CG1 4.34Å; F184-V192 HydrophobicContact CE1-CG2 3.85Å; F184-V192 HydrophobicContact CE2-CG2 3.53Å; F184-V192 HydrophobicContact CG-CG2 3.65Å; F184-V192 HydrophobicContact CZ-CG2 3.72Å
185	H	91.1	Very high	80.8	Confident	25 Å²	25	50.5 Å²	50.5	12%	0.116	26%	0.261	C	S	.	.			trans	-71.4	151.9	171.6	-59.6	100.4	0	0	0	111.8	C164 C167 F170 L171 H187 C188	C164-H185 WeakPolarHBondContact CB-CE1 3.44Å; C164-H185 WeakPolarHBondContact CB-ND1 3.31Å; C164-H185 PolarHBondContact SG-ND1 3.23Å; C164-H185 VanDerWaalsContact SG-ND1 3.42Å; C167-H185 PolarHBondContact SG-CE1 2.91Å; C167-H185 PolarHBondContact SG-ND1 3.26Å; F170-H185 PolarHBondContact O-CE1 3.21Å; F170-H185 PolarHBondContact O-NE2 3.22Å; L171-H185 HydrophobicContact CD1-CB 4.29Å; L171-H185 WeakPolarHBondContact CD1-CD2 3.26Å; H185-H187 VanDerWaalsContact C-N 3.29Å; H185-H187 WeakPolarHBondContact CB-CE1 3.41Å; H185-H187 AromaticContact CG-CE1 3.56Å; H185-H187 AromaticContact CG-NE2 3.82Å; H185-H187 AromaticContact ND1-CE1 3.64Å; H185-H187 PolarHBondContact O-N 3.43Å; H185-C188 HydrophobicContact CB-CB 4.42Å; H185-C188 WeakPolarHBondContact O-CA 3.49Å; H185-C188 WeakPolarHBondContact O-CB 3.32Å; H185-C188 PolarHBondContact O-N 2.89Å
186	E	87.8	Confident	79.6	Confident	97 Å²	97	49 Å²	49	45%	0.453	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-53.6	-41	176.8	-171.8	146.4	-154.2	0	0	113.8	R155 F175 C188 S189	R155-E186 IonicContact CZ-OE1 3.42Å; R155-E186 IonicContact CZ-OE2 3.64Å; R155-E186 VanDerWaalsContact NH1-CD 3.29Å; R155-E186 IonicContact NH1-OE1 2.76Å; R155-E186 PolarHBondContact NH1-OE1 3.39Å; R155-E186 IonicContact NH1-OE2 2.84Å; R155-E186 PolarHBondContact NH1-OE2 3.22Å; R155-E186 IonicContact NH2-OE1 2.81Å; R155-E186 PolarHBondContact NH2-OE1 3.26Å; R155-E186 IonicContact NH2-OE2 3.57Å; F175-E186 HydrophobicContact CE2-CB 3.9Å; F175-E186 HydrophobicContact CE2-CG 3.91Å; E186-C188 PolarHBondContact O-N 2.95Å; E186-S189 VanDerWaalsContact O-CB 3.26Å; E186-S189 WeakPolarHBondContact O-CB 3.41Å; E186-S189 PolarHBondContact O-N 3.49Å; E186-S189 PolarHBondContact O-OG 3.38Å
187	H	87.6	Confident	78.3	Confident	107 Å²	107	45.3 Å²	45.3	50%	0.495	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-69.5	-10.3	175.2	64.3	45.7	0	0	0	114.8	H185	H185-H187 VanDerWaalsContact C-N 3.29Å; H185-H187 WeakPolarHBondContact CB-CE1 3.41Å; H185-H187 AromaticContact CG-CE1 3.56Å; H185-H187 AromaticContact CG-NE2 3.82Å; H185-H187 AromaticContact ND1-CE1 3.64Å; H185-H187 PolarHBondContact O-N 3.43Å
188	C	86.9	Confident	76.8	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.054	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-94.5	-5.2	175.7	-74.5	0	0	0	0	113.2	I166 F184 H185 E186 T190 K191	I166-C188 HydrophobicContact CB-CB 4.1Å; I166-C188 HydrophobicContact CD1-CB 3.98Å; I166-C188 WeakPolarHBondContact CD1-O 3.48Å; I166-C188 HydrophobicContact CG2-CB 3.99Å; F184-C188 HydrophobicContact CB-CB 4.29Å; F184-C188 HydrophobicContact CD2-CB 4.33Å; H185-C188 HydrophobicContact CB-CB 4.42Å; H185-C188 WeakPolarHBondContact O-CA 3.49Å; H185-C188 WeakPolarHBondContact O-CB 3.32Å; H185-C188 PolarHBondContact O-N 2.89Å; E186-C188 PolarHBondContact O-N 2.95Å; C188-T190 PolarHBondContact O-N 2.96Å; C188-T190 VanDerWaalsContact O-N 3.15Å; C188-K191 PolarHBondContact O-N 2.91Å
189	S	84	Confident	75.3	Confident	60 Å²	60	47 Å²	47	42%	0.42	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-45.4	-43.3	179.5	48.7	0	0	0	0	114.3	E186 K191 V192	E186-S189 VanDerWaalsContact O-CB 3.26Å; E186-S189 WeakPolarHBondContact O-CB 3.41Å; E186-S189 PolarHBondContact O-N 3.49Å; E186-S189 PolarHBondContact O-OG 3.38Å; S189-K191 PolarHBondContact O-N 3.1Å; S189-K191 VanDerWaalsContact O-N 3.11Å; S189-V192 WeakPolarHBondContact O-CB 3.47Å; S189-V192 WeakPolarHBondContact O-CG2 3.42Å; S189-V192 PolarHBondContact O-N 2.87Å; S189-V192 VanDerWaalsContact O-N 3.14Å
190	T	78.5	Confident	73.8	Confident	128 Å²	128	44.4 Å²	44.4	79%	0.785	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-65.8	-11.3	-179.5	56	0	0	0	0	115.1	C188	C188-T190 PolarHBondContact O-N 2.96Å; C188-T190 VanDerWaalsContact O-N 3.15Å
191	K	79.3	Confident	72.3	Confident	157 Å²	157	46.8 Å²	46.8	68%	0.683	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-109.7	1.1	178	-65.1	-176.7	177.9	-174	0	113.3	I166 C188 S189	I166-K191 HydrophobicContact CD1-CB 4.15Å; I166-K191 HydrophobicContact CG2-CB 3.73Å; I166-K191 HydrophobicContact CG2-CD 3.86Å; I166-K191 HydrophobicContact CG2-CG 4.43Å; C188-K191 PolarHBondContact O-N 2.91Å; S189-K191 PolarHBondContact O-N 3.1Å; S189-K191 VanDerWaalsContact O-N 3.11Å
192	V	76	Confident	70.6	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.145	24%	0.241	C	C	.	.	S	Bend	trans	-71.8	137.9	179.9	179.8	0	0	0	0	110.1	F153 I166 Y182 F184 S189	F153-V192 HydrophobicContact CE1-CG1 4.43Å; F153-V192 HydrophobicContact CE2-CG1 3.85Å; F153-V192 HydrophobicContact CZ-CG1 3.42Å; F153-V192 VanDerWaalsContact CZ-CG1 3.42Å; I166-V192 HydrophobicContact CD1-CB 4.28Å; I166-V192 HydrophobicContact CD1-CG2 3.51Å; Y182-V192 HydrophobicContact CD1-CG1 4.33Å; Y182-V192 HydrophobicContact CE1-CG1 4.11Å; F184-V192 HydrophobicContact CB-CG2 4.49Å; F184-V192 HydrophobicContact CD1-CG2 3.83Å; F184-V192 HydrophobicContact CD2-CG2 3.44Å; F184-V192 VanDerWaalsContact CD2-CG2 3.44Å; F184-V192 HydrophobicContact CE1-CG1 4.34Å; F184-V192 HydrophobicContact CE1-CG2 3.85Å; F184-V192 HydrophobicContact CE2-CG2 3.53Å; F184-V192 HydrophobicContact CG-CG2 3.65Å; F184-V192 HydrophobicContact CZ-CG2 3.72Å; S189-V192 WeakPolarHBondContact O-CB 3.47Å; S189-V192 WeakPolarHBondContact O-CG2 3.42Å; S189-V192 PolarHBondContact O-N 2.87Å; S189-V192 VanDerWaalsContact O-N 3.14Å
193	P	72	Confident	68.6	Low	29 Å²	29	48.7 Å²	48.7	19%	0.188	25%	0.249	C	C	.	.			trans	-56.5	140.2	171.1	-25.8	35.6	0	0	0	112.4	H151 M195 W199	H151-P193 PolarHBondContact CD2-O 3.36Å; H151-P193 VanDerWaalsContact CD2-O 3.27Å; H151-P193 PolarHBondContact NE2-O 2.8Å; P193-M195 VanDerWaalsContact C-N 3.26Å; P193-M195 PolarHBondContact O-N 3.37Å; P193-W199 HydrophobicContact CB-CZ2 4.3Å
194	T	64.5	Low	66.5	Low	74 Å²	74	50.3 Å²	50.3	45%	0.454	26%	0.257	S	S	.	.	S	Bend	trans	-67.6	-25.7	-179.9	45.8	0	0	0	0	113.5	G102	G102-T194 PolarHBondContact O-OG1 3.12Å
195	M	63.9	Low	64	Low	22 Å²	22	53.7 Å²	53.7	11%	0.108	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-122.4	135.7	-171.5	-57.9	-51.4	-54.1	0	0	111.8	G102 L148 T150 H151 P193 V197	G102-M195 WeakPolarHBondContact O-CG 3.42Å; L148-M195 HydrophobicContact CB-CE 3.87Å; L148-M195 HydrophobicContact CD2-CE 4.06Å; L148-M195 HydrophobicContact CD2-CG 4.26Å; L148-M195 WeakPolarHBondContact O-CE 3.26Å; T150-M195 HydrophobicContact CG2-CE 4.27Å; H151-M195 PolarHBondContact NE2-O 3.42Å; P193-M195 VanDerWaalsContact C-N 3.26Å; P193-M195 PolarHBondContact O-N 3.37Å; M195-V197 HydrophobicContact CB-CG2 3.68Å; M195-V197 PolarHBondContact O-N 2.85Å
196	C	66.4	Low	61.5	Low	4 Å²	4	56.1 Å²	56.1	3%	0.027	29%	0.288	C	S	.	.			trans	-79.9	64	174.1	-177.1	0	0	0	0	110.7	T149 H151 C180	T149-C196 WeakPolarHBondContact O-CA 3.14Å; T149-C196 VanDerWaalsContact O-CB 3.26Å; T149-C196 WeakPolarHBondContact O-CB 3.4Å; T149-C196 PolarHBondContact O-N 2.75Å; T149-C196 WeakPolarHBondContact OG1-CB 3.42Å; T149-C196 PolarHBondContact OG1-O 3.36Å; H151-C196 HydrophobicContact CB-CB 4.27Å; H151-C196 WeakPolarHBondContact ND1-CB 3.25Å; C180-C196 PolarHBondContact SG-SG 3.43Å
197	V	57.3	Low	59.1	Low	9 Å²	9	54.3 Å²	54.3	6%	0.055	28%	0.281	C	S	.	.			trans	-77.7	142.5	178.1	-161.9	0	0	0	0	110.5	M195 W199 I202	M195-V197 HydrophobicContact CB-CG2 3.68Å; M195-V197 PolarHBondContact O-N 2.85Å; V197-W199 VanDerWaalsContact C-N 3.3Å; V197-W199 HydrophobicContact CB-CG 4.34Å; V197-W199 VanDerWaalsContact O-CD1 3.29Å; V197-W199 PolarHBondContact O-N 3Å; V197-W199 VanDerWaalsContact O-N 3.11Å; V197-I202 HydrophobicContact CB-CD1 4.36Å; V197-I202 HydrophobicContact CG1-CB 4.28Å; V197-I202 HydrophobicContact CG1-CD1 3.38Å; V197-I202 HydrophobicContact CG1-CG1 3.59Å; V197-I202 HydrophobicContact CG2-CD1 4.1Å
198	D	52.7	Low	56.4	Low	38 Å²	38	52 Å²	52	20%	0.203	28%	0.276	C	S	.	.			trans	-72.5	90.7	150.6	-162.5	-24.9	0	0	0	108.7	S200 N201	D198-S200 PolarHBondContact O-N 3.25Å; D198-S200 WeakPolarHBondContact OD1-CB 3.32Å; D198-S200 PolarHBondContact OD1-N 3.46Å; D198-S200 PolarHBondContact OD1-OG 2.91Å; D198-N201 PolarHBondContact O-N 3.4Å
199	W	47.1	Very low	53.6	Low	67 Å²	67	57.2 Å²	57.2	25%	0.254	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-15.5	-172.9	-81.1	87.3	0	0	0	114.4	P193 V197 N201 R203	P193-W199 HydrophobicContact CB-CZ2 4.3Å; V197-W199 VanDerWaalsContact C-N 3.3Å; V197-W199 HydrophobicContact CB-CG 4.34Å; V197-W199 VanDerWaalsContact O-CD1 3.29Å; V197-W199 PolarHBondContact O-N 3Å; V197-W199 VanDerWaalsContact O-N 3.11Å; W199-N201 PolarHBondContact O-N 2.92Å; W199-R203 HydrophobicContact CE3-CG 4.48Å; W199-R203 PolarHBondContact O-N 2.69Å
200	S	43.8	Very low	51	Low	2 Å²	2	59.7 Å²	59.7	1%	0.014	32%	0.323	C	S	.	.	H	α-helix	trans	-49.7	-52.8	170.6	-50.5	0	0	0	0	111.9	D198	D198-S200 PolarHBondContact O-N 3.25Å; D198-S200 WeakPolarHBondContact OD1-CB 3.32Å; D198-S200 PolarHBondContact OD1-N 3.46Å; D198-S200 PolarHBondContact OD1-OG 2.91Å
201	N	40.2	Very low	48.8	Very low	65 Å²	65	60.3 Å²	60.3	35%	0.348	33%	0.329	S	S	.	.	H	α-helix	trans	-78.8	-35.9	-172.4	-64.7	-1.7	0	0	0	112.3	D198 W199	D198-N201 PolarHBondContact O-N 3.4Å; W199-N201 PolarHBondContact O-N 2.92Å
202	I	41.6	Very low	46.6	Very low	4 Å²	4	56 Å²	56	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-66.4	-42.8	-179.8	-78.9	-161.4	0	0	0	112	Q106 C107 V146 V197 Q204 L205 L206	Q106-I202 HydrophobicContact CG-CG2 4.27Å; C107-I202 VanDerWaalsContact SG-CD1 3.58Å; V146-I202 HydrophobicContact CG1-CD1 3.69Å; V146-I202 HydrophobicContact CG1-CG1 4.27Å; V146-I202 HydrophobicContact CG2-CD1 3.95Å; V146-I202 HydrophobicContact CG2-CG1 3.95Å; V197-I202 HydrophobicContact CB-CD1 4.36Å; V197-I202 HydrophobicContact CG1-CB 4.28Å; V197-I202 HydrophobicContact CG1-CD1 3.38Å; V197-I202 HydrophobicContact CG1-CG1 3.59Å; V197-I202 HydrophobicContact CG2-CD1 4.1Å; I202-Q204 PolarHBondContact O-N 3.45Å; I202-L205 PolarHBondContact O-N 2.76Å; I202-L206 HydrophobicContact CG2-CD1 3.44Å; I202-L206 VanDerWaalsContact CG2-CD1 3.44Å; I202-L206 HydrophobicContact CG2-CG 4.45Å; I202-L206 WeakPolarHBondContact O-CD1 3.46Å; I202-L206 WeakPolarHBondContact O-CG 2.97Å
203	R	41.8	Very low	44.2	Very low	76 Å²	76	64.3 Å²	64.3	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-30.7	-175.1	-80.2	-177.8	163.9	-168.2	-5.8	112.6	W199 L206 L207 A590	W199-R203 HydrophobicContact CE3-CG 4.48Å; W199-R203 PolarHBondContact O-N 2.69Å; R203-L206 PolarHBondContact O-N 2.84Å; R203-L207 HydrophobicContact CB-CD1 4.38Å; R203-L207 WeakPolarHBondContact O-CB 3.49Å; R203-L207 WeakPolarHBondContact O-CD1 3.33Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.46Å; R203-A590 PolarHBondContact NH1-O 3.42Å
204	Q	42.8	Very low	42.2	Very low	52 Å²	52	69 Å²	69	24%	0.243	40%	0.4	C	S	.	.	H	α-helix	trans	-68.7	-45.9	178.3	-169.5	168.5	-2.7	0	0	112.4	I202 L206 L207 C208 D573 S575	I202-Q204 PolarHBondContact O-N 3.45Å; Q204-L206 PolarHBondContact O-N 2.89Å; Q204-L207 PolarHBondContact O-N 2.93Å; Q204-C208 PolarHBondContact O-N 3.1Å; Q204-D573 PolarHBondContact NE2-OD1 3.02Å; Q204-D573 PolarHBondContact NE2-OD2 3.29Å; Q204-D573 PolarHBondContact OE1-OD1 2.88Å; Q204-S575 PolarHBondContact OE1-OG 2.89Å
205	L	38.2	Very low	40.4	Very low	79 Å²	79	68.8 Å²	68.8	41%	0.414	41%	0.412	S	S	.	.	H	α-helix	trans	-62.9	-8.7	176.2	-68	171.2	0	0	0	114.5	H145 I202	H145-L205 HydrophobicContact CB-CD1 4.49Å; I202-L205 PolarHBondContact O-N 2.76Å
206	L	39	Very low	38.7	Very low	76 Å²	76	78 Å²	78	40%	0.398	45%	0.451	S	S	.	.	H	α-helix	trans	-115	-15.3	-175.6	-69.3	167	0	0	0	114.6	Q106 I202 R203 Q204	Q106-L206 HydrophobicContact CB-CD1 3.53Å; Q106-L206 HydrophobicContact CB-CD2 3.62Å; Q106-L206 HydrophobicContact CB-CG 4.19Å; Q106-L206 HydrophobicContact CG-CD1 3.8Å; Q106-L206 WeakPolarHBondContact O-CD2 3.29Å; I202-L206 HydrophobicContact CG2-CD1 3.44Å; I202-L206 VanDerWaalsContact CG2-CD1 3.44Å; I202-L206 HydrophobicContact CG2-CG 4.45Å; I202-L206 WeakPolarHBondContact O-CD1 3.46Å; I202-L206 WeakPolarHBondContact O-CG 2.97Å; R203-L206 PolarHBondContact O-N 2.84Å; Q204-L206 PolarHBondContact O-N 2.89Å
207	L	38.1	Very low	37	Very low	60 Å²	60	83.4 Å²	83.4	31%	0.314	49%	0.487	S	S	.	.	H	α-helix	trans	-118.1	-22.7	-171.6	-64.5	176.8	0	0	0	112.5	R203 Q204 K595	R203-L207 HydrophobicContact CB-CD1 4.38Å; R203-L207 WeakPolarHBondContact O-CB 3.49Å; R203-L207 WeakPolarHBondContact O-CD1 3.33Å; R203-L207 WeakPolarHBondContact O-CG 3.49Å; R203-L207 PolarHBondContact O-N 3.46Å; Q204-L207 PolarHBondContact O-N 2.93Å; L207-K595 VanDerWaalsContact CD1-NZ 3.29Å
208	C	31.3	Very low	35.4	Very low	57 Å²	57	88.4 Å²	88.4	39%	0.385	52%	0.522	S	S	.	.	S	Bend	trans	-101.8	124	169.1	-62.7	0	0	0	0	109.9	Q204	Q204-C208 PolarHBondContact O-N 3.1Å
209	P	28	Very low	34.2	Very low	118 Å²	118	94.8 Å²	94.8	77%	0.766	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-58.1	141.9	157.2	-17.9	31.6	0	0	0	109.3	P211	P209-P211 WeakPolarHBondContact O-CD 3.4Å
210	T	29.1	Very low	33.3	Very low	112 Å²	112	96.9 Å²	96.9	69%	0.687	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-64.7	123.8	172.8	41.2	0	0	0	0	109.8	G212	T210-G212 PolarHBondContact O-N 2.81Å
211	P	31.8	Very low	32.5	Very low	142 Å²	142	102.4 Å²	102.4	92%	0.922	61%	0.614	S	S	*	*	S	Bend	trans	-73.4	91.9	177.2	29.9	-33.3	0	0	0	109.3	P209	P209-P211 WeakPolarHBondContact O-CD 3.4Å
212	G	32.6	Very low	31.8	Very low	65 Å²	65	107.8 Å²	107.8	67%	0.67	64%	0.641	S	S	*	*			trans	171.9	48.6	-172.1	0	0	0	0	0	116.4	T210	T210-G212 PolarHBondContact O-N 2.81Å
213	E	25.9	Very low	31.1	Very low	200 Å²	200	114.1 Å²	114.1	94%	0.935	68%	0.681	S	S	*	*			trans	-158.2	127.2	149.6	-118.5	166.5	-156.2	0	0	109.5
214	S	31.1	Very low	30.3	Very low	128 Å²	128	115.6 Å²	115.6	90%	0.895	70%	0.702	S	S	*	*			trans	-93.4	117.8	-170.6	53.5	0	0	0	0	111.9
215	G	25.1	Very low	29.5	Very low	68 Å²	68	125 Å²	125	70%	0.701	74%	0.736	S	S	*	*			trans	-174.4	111.3	172.2	0	0	0	0	0	113.2
216	F	29.3	Very low	29	Very low	215 Å²	215	132.5 Å²	132.5	94%	0.943	76%	0.758	S	S	*	*			trans	-68.7	141.6	162.7	-81.5	-91.9	0	0	0	109.6
217	P	29.3	Very low	28.3	Very low	119 Å²	119	138.4 Å²	138.4	77%	0.773	79%	0.786	S	S	*	*				-122.1	160	124.9	-2.8	23.1	0	0	0	112.7
218	S	24.9	Very low	27.6	Very low	114 Å²	114	145 Å²	145	80%	0.797	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-77	157.4	-179.4	42.3	0	0	0	0	114
219	L	26.8	Very low	27.3	Very low	171 Å²	171	148.9 Å²	148.9	90%	0.895	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-77.6	133.1	171.1	-75.2	160.7	0	0	0	111.5
220	P	27.8	Very low	27.1	Very low	111 Å²	111	148.9 Å²	148.9	72%	0.721	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-84.3	154.5	151.3	33.6	-30.4	0	0	0	110.9
221	P	26.9	Very low	26.9	Very low	119 Å²	119	152.1 Å²	152.1	77%	0.773	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-82.5	164.2	-167	32.5	-37.1	0	0	0	115.3
222	L	26.2	Very low	26.6	Very low	177 Å²	177	151.2 Å²	151.2	93%	0.927	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-59.9	130.3	170.8	-74.6	162.1	0	0	0	111.8
223	T	26.8	Very low	26.2	Very low	138 Å²	138	159.4 Å²	159.4	85%	0.847	84%	0.837	S	S	*	*			trans	-124.8	135.9	154.5	52.2	0	0	0	0	109.5
224	S	25.5	Very low	26.2	Very low	106 Å²	106	158.1 Å²	158.1	74%	0.741	84%	0.836	S	S	*	*			trans	-89.8	129.9	-175.6	133.1	0	0	0	0	110.9
225	R	26.2	Very low	26	Very low	251 Å²	251	157.5 Å²	157.5	95%	0.947	83%	0.829	S	S	*	*			trans	-132.7	108.8	146.4	-76.7	-163.4	171.2	-167.4	-2.9	110.8
226	R	26.4	Very low	26	Very low	235 Å²	235	160.2 Å²	160.2	89%	0.887	84%	0.837	S	S	*	*			trans	-66.4	139.8	157.9	-66.6	174.5	173.9	169.8	-3	108.5
227	M	24.8	Very low	25.9	Very low	201 Å²	201	155 Å²	155	99%	0.99	83%	0.828	S	S	*	*			trans	-133.1	152.6	141.3	-106.1	-170.1	178.4	0	0	108.8
228	R	24.5	Very low	25.9	Very low	197 Å²	197	153.8 Å²	153.8	74%	0.743	83%	0.827	S	S	*	*			trans	-129.1	137.5	-165.3	171.7	-173.6	-125.8	-103.4	0.1	108.3
229	E	24	Very low	26	Very low	139 Å²	139	156.9 Å²	156.9	65%	0.65	83%	0.829	S	S	*	*			trans	52.3	130	161.7	-68	157.7	162.5	0	0	119.4
230	S	23.8	Very low	26	Very low	118 Å²	118	160.1 Å²	160.1	83%	0.825	83%	0.829	S	S	*	*				-156	131.2	119.7	-83.5	0	0	0	0	110.7
231	L	25.6	Very low	25.9	Very low	180 Å²	180	162.6 Å²	162.6	94%	0.942	84%	0.836	S	S	*	*			trans	-90.6	119.5	171.5	-79.6	158.9	0	0	0	109.2
232	T	24.6	Very low	25.8	Very low	123 Å²	123	162.7 Å²	162.7	76%	0.755	84%	0.84	S	S	*	*			trans	-144.6	110.8	166.9	18	0	0	0	0	113.4
233	R	25.3	Very low	25.9	Very low	238 Å²	238	159.4 Å²	159.4	90%	0.898	83%	0.827	S	S	*	*			trans	35.3	124.5	140.8	-57.5	-175.6	-178.6	-156.3	-1.3	119.7
234	L	25.9	Very low	26.1	Very low	172 Å²	172	159 Å²	159	90%	0.901	83%	0.827	S	S	*	*			trans	-50	151.3	151.2	-70.9	159.5	0	0	0	111.7
235	P	25.9	Very low	26.2	Very low	116 Å²	116	161.8 Å²	161.8	75%	0.753	83%	0.828	S	S	*	*				-121.6	150.8	126.2	35.1	-31.5	0	0	0	112.3
236	S	26.6	Very low	26.3	Very low	124 Å²	124	154 Å²	154	87%	0.867	82%	0.818	S	S	*	*			trans	-77.6	136.8	169.3	-178.6	0	0	0	0	110.5
237	S	26.1	Very low	26.5	Very low	107 Å²	107	152 Å²	152	75%	0.748	82%	0.815	S	S	*	*			trans	-147.1	132.1	158.1	62.3	0	0	0	0	110.4
238	A	30.4	Very low	26.5	Very low	93 Å²	93	150 Å²	150	77%	0.769	81%	0.809	S	S	*	*			trans	-100.2	115	-178.5	0	0	0	0	0	110.2
239	H	26.2	Very low	26.8	Very low	179 Å²	179	150.4 Å²	150.4	83%	0.829	81%	0.812	S	S	*	*			trans	-130.6	124.1	163.7	-83.3	-69.1	0	0	0	112
240	R	27.7	Very low	27	Very low	239 Å²	239	150.5 Å²	150.5	90%	0.902	82%	0.822	S	S	*	*			trans	-64.2	144.5	169.3	-56.4	173.2	179.6	-173.8	-1.6	109.4
241	N	25.3	Very low	27.1	Very low	162 Å²	162	151.2 Å²	151.2	87%	0.866	82%	0.822	S	S	*	*			trans	-154.5	138.5	151.4	-99.9	-52.2	0	0	0	110
242	S	24.3	Very low	27.3	Very low	121 Å²	121	147.8 Å²	147.8	85%	0.846	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.9	143.3	-159.9	-50.5	0	0	0	0	114.3
243	T	28.6	Very low	27.6	Very low	108 Å²	108	152.7 Å²	152.7	66%	0.663	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-85.6	135	164	43.7	0	0	0	0	110.8	H245	T243-H245 PolarHBondContact O-N 2.78Å
244	P	29.8	Very low	28.1	Very low	129 Å²	129	146.6 Å²	146.6	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.2	167.3	-15.5	29.8	0	0	0	110
245	H	28.5	Very low	28.3	Very low	165 Å²	165	144.2 Å²	144.2	76%	0.764	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-78.7	143.3	169.6	-77.5	-110.9	0	0	0	110.1	T243	T243-H245 PolarHBondContact O-N 2.78Å
246	A	28.1	Very low	28.9	Very low	89 Å²	89	146 Å²	146	74%	0.736	81%	0.814	S	S	*	*			trans	-135.9	42.6	177.9	0	0	0	0	0	111.7
247	F	29.8	Very low	29.1	Very low	191 Å²	191	143.6 Å²	143.6	84%	0.838	81%	0.809	S	S	*	*			trans	-146.4	95.4	167	-74.9	-67.7	0	0	0	108.5
248	N	25.2	Very low	29.8	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	82%	0.817	S	S	*	*			trans	-87.9	129.3	166.4	-76.1	2.6	0	0	0	108.5
249	Y	30.6	Very low	29.8	Very low	206 Å²	206	142 Å²	142	81%	0.808	82%	0.818	S	S	*	*			trans	-125.5	146.3	155	-95.4	-88.2	0	0	0	107.8
250	T	28.3	Very low	30.3	Very low	142 Å²	142	141.6 Å²	141.6	87%	0.871	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-72.8	132.1	-167.5	-12.9	0	0	0	0	111.9
251	T	25.9	Very low	30.7	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.3	120.9	174.1	-52.2	0	0	0	0	110.5
252	S	30	Very low	31.6	Very low	107 Å²	107	137 Å²	137	75%	0.748	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-98.4	156.2	155	49.6	0	0	0	0	109.9
253	Y	30.3	Very low	33	Very low	226 Å²	226	142.4 Å²	142.4	89%	0.886	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-72.4	151.8	-168.5	-83.3	-98.1	0	0	0	113.7
254	P	35.9	Very low	34.3	Very low	110 Å²	110	144.5 Å²	144.5	71%	0.714	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-90.3	152.5	-173.4	35.9	-35.7	0	0	0	113.8
255	P	31.3	Very low	35.8	Very low	122 Å²	122	150 Å²	150	79%	0.792	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-95.6	152.1	144.6	33.9	-29	0	0	0	111.2
256	T	38.6	Very low	37.5	Very low	154 Å²	154	147.8 Å²	147.8	95%	0.945	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-74.9	127.6	-177.7	41.9	0	0	0	0	113.3
257	G	31.1	Very low	39.3	Very low	73 Å²	73	148.8 Å²	148.8	75%	0.753	83%	0.826	S	S	*	*			trans	-165.1	135.5	171.2	0	0	0	0	0	111.7	G259	G257-G259 PolarHBondContact O-N 3.43Å
258	G	40.5	Very low	41.2	Very low	89 Å²	89	144.5 Å²	144.5	92%	0.918	82%	0.82	S	S	*	*			trans	-73.4	109.1	-170.3	0	0	0	0	0	114.3
259	G	29.4	Very low	43.2	Very low	77 Å²	77	143.1 Å²	143.1	79%	0.794	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-87.9	117.2	173.9	0	0	0	0	0	113.1	G257 S261	G257-G259 PolarHBondContact O-N 3.43Å; G259-S261 PolarHBondContact O-N 2.9Å
260	L	37	Very low	45.1	Very low	172 Å²	172	137.1 Å²	137.1	90%	0.901	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-62.2	127.3	172.5	-73.3	167.1	0	0	0	110.9	Q262	L260-Q262 PolarHBondContact O-N 3.45Å
261	S	35.8	Very low	47.2	Very low	114 Å²	114	137 Å²	137	80%	0.797	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-56.7	124.2	170.1	-179.3	0	0	0	0	109.9	G259 R263	G259-S261 PolarHBondContact O-N 2.9Å; S261-R263 PolarHBondContact O-N 3.41Å
262	Q	44.4	Very low	49.1	Very low	191 Å²	191	137.2 Å²	137.2	89%	0.893	80%	0.798	S	S	*	*			trans	-75.7	68.9	-171.4	-162.5	179.1	58.3	0	0	111.6	L260 Q264	L260-Q262 PolarHBondContact O-N 3.45Å; Q262-Q264 PolarHBondContact O-N 3.38Å
263	R	52.9	Low	50.2	Low	233 Å²	233	139.1 Å²	139.1	88%	0.879	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-57.1	124.5	178	-162.3	178.2	-170	-169	3.5	109.1	S261 R265	S261-R263 PolarHBondContact O-N 3.41Å; R263-R265 PolarHBondContact O-N 2.66Å
264	Q	56.1	Low	50.5	Low	153 Å²	153	136.4 Å²	136.4	72%	0.715	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-57.8	132.2	-173.2	-65.4	-174.6	-1	0	0	111.3	Q262 S266	Q262-Q264 PolarHBondContact O-N 3.38Å; Q264-S266 PolarHBondContact O-N 3.4Å
265	R	61.4	Low	50.6	Low	245 Å²	245	136.3 Å²	136.3	93%	0.925	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-68.6	125.4	166.4	-81.1	-172.2	173.6	-175.8	-1.4	109.1	R263	R263-R265 PolarHBondContact O-N 2.66Å
266	S	64.1	Low	50.5	Low	118 Å²	118	134.8 Å²	134.8	83%	0.825	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-54.5	145.8	161.8	-56.2	0	0	0	0	110	Q264 S268	Q264-S266 PolarHBondContact O-N 3.4Å; S266-S268 PolarHBondContact O-N 2.9Å
267	T	67.4	Low	50.2	Low	109 Å²	109	133.2 Å²	133.2	67%	0.669	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.1	177.4	47.9	0	0	0	0	110.7	F170	F170-T267 HydrophobicContact CD1-CG2 4.01Å
268	S	69.9	Low	50.2	Low	102 Å²	102	134.9 Å²	134.9	71%	0.713	77%	0.768	S	S	*	*			trans	-69.6	175.4	166.5	57.7	0	0	0	0	111.4	S266	S266-S268 PolarHBondContact O-N 2.9Å
269	T	65.4	Low	49.8	Very low	130 Å²	130	137.8 Å²	137.8	80%	0.798	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-54.1	135.9	168.8	39.2	0	0	0	0	111.4
270	P	70.6	Confident	49.9	Very low	79 Å²	79	140.2 Å²	140.2	51%	0.513	76%	0.763	S	S	.	*	P	Polyproline II helix	trans	-80.4	169	174.7	34.2	-35.6	0	0	0	111.6	V272	P270-V272 PolarHBondContact O-N 3.31Å
271	N	73.7	Confident	49.6	Very low	139 Å²	139	137.1 Å²	137.1	74%	0.743	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-60.6	130.2	174.3	-63.3	-20.3	0	0	0	111.2	L159	L159-N271 PolarHBondContact O-ND2 2.87Å
272	V	65.8	Low	49.3	Very low	138 Å²	138	138 Å²	138	84%	0.836	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-86.2	128.2	170.8	-179.2	0	0	0	0	108.9	P270	P270-V272 PolarHBondContact O-N 3.31Å
273	H	52.5	Low	48.7	Very low	148 Å²	148	134.7 Å²	134.7	69%	0.685	75%	0.745	S	S	*	*			trans	-118.6	110.8	175.8	-168.4	-60	0	0	0	109.6	V275	H273-V275 PolarHBondContact O-N 3.48Å
274	M	37.5	Very low	47.7	Very low	169 Å²	169	127.9 Å²	127.9	83%	0.833	73%	0.733	S	S	*	*			trans	-70.6	124.7	171.1	-65	-64.8	-77.6	0	0	108.8
275	V	38.2	Very low	46.7	Very low	108 Å²	108	128.1 Å²	128.1	66%	0.655	74%	0.736	S	S	*	*			trans	-106.9	100.1	171.8	179.8	0	0	0	0	106.9	H273 T277	H273-V275 PolarHBondContact O-N 3.48Å; V275-T277 PolarHBondContact O-N 3.24Å
276	S	28.5	Very low	45.2	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	73%	0.731	S	S	*	*			trans	-72.3	127.3	172	-165.5	0	0	0	0	109.1	T278	S276-T278 VanDerWaalsContact C-N 3.25Å; S276-T278 PolarHBondContact O-N 2.86Å; S276-T278 PolarHBondContact OG-OG1 3.11Å
277	T	32.4	Very low	43.6	Very low	120 Å²	120	126.7 Å²	126.7	74%	0.736	72%	0.724	S	S	*	*			trans	-90.2	14.3	176.6	55.4	0	0	0	0	112.8	V275 L279	V275-T277 PolarHBondContact O-N 3.24Å; T277-L279 PolarHBondContact O-N 3.25Å
278	T	31.1	Very low	41.8	Very low	109 Å²	109	130.8 Å²	130.8	67%	0.669	74%	0.736	S	S	*	*			trans	-75.7	116.4	170.3	50.7	0	0	0	0	109.8	S276	S276-T278 VanDerWaalsContact C-N 3.25Å; S276-T278 PolarHBondContact O-N 2.86Å; S276-T278 PolarHBondContact OG-OG1 3.11Å
279	L	31.4	Very low	40	Very low	149 Å²	149	130.3 Å²	130.3	78%	0.78	74%	0.738	S	S	*	*			trans	-59.2	150	161.9	-66.6	171.9	0	0	0	109.4	T277 V281	T277-L279 PolarHBondContact O-N 3.25Å; L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 2.82Å
280	P	31.7	Very low	38.4	Very low	129 Å²	129	133 Å²	133	84%	0.838	74%	0.744	S	S	*	*			trans	-67.6	97.5	165.6	29.6	-31.9	0	0	0	108.1
281	V	31.2	Very low	36.4	Very low	106 Å²	106	138.5 Å²	138.5	64%	0.642	75%	0.754	S	S	*	*			trans	-70	129	167.1	179.3	0	0	0	0	106.8	L279 S283	L279-V281 VanDerWaalsContact C-N 3.34Å; L279-V281 PolarHBondContact O-N 2.82Å; V281-S283 PolarHBondContact O-N 2.91Å
282	D	29.8	Very low	34.2	Very low	134 Å²	134	138.8 Å²	138.8	72%	0.717	76%	0.756	S	S	*	*			trans	-64.6	120.7	178.6	-145.7	-25.4	0	0	0	108.8	S284	D282-S284 PolarHBondContact O-N 3.42Å
283	S	31.3	Very low	32.6	Very low	120 Å²	120	139.7 Å²	139.7	84%	0.839	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	22.1	-163.8	-56.3	0	0	0	0	114	V281	V281-S283 PolarHBondContact O-N 2.91Å
284	S	32.4	Very low	31.4	Very low	90 Å²	90	138.8 Å²	138.8	63%	0.629	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.9	2.1	-167.5	50.7	0	0	0	0	114.6	D282	D282-S284 PolarHBondContact O-N 3.42Å
285	M	34.2	Very low	31	Very low	158 Å²	158	135.3 Å²	135.3	78%	0.778	74%	0.743	S	S	*	*	S	Bend	trans	-125	23.4	-174	-62.6	-132.2	74.2	0	0	115.1
286	F	30.7	Very low	30.6	Very low	187 Å²	187	136.4 Å²	136.4	82%	0.82	75%	0.745	S	S	*	*	S	Bend	trans	-135.2	16.4	-179.9	-82.8	-72.2	0	0	0	115.7
287	E	30.7	Very low	30.7	Very low	146 Å²	146	141.4 Å²	141.4	68%	0.682	76%	0.756	S	S	*	*	S	Bend	trans	-107.1	10.1	177.1	-101.1	-131	109.6	0	0	114.9	R291	E287-R291 IonicContact OE1-CZ 2.74Å; E287-R291 IonicContact OE1-NE 3.37Å; E287-R291 IonicContact OE1-NH2 2.65Å; E287-R291 PolarHBondContact OE1-NH2 2.65Å; E287-R291 IonicContact OE2-NH2 2.67Å; E287-R291 PolarHBondContact OE2-NH2 2.77Å
288	E	29.4	Very low	30.5	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	76%	0.763	S	S	*	*	S	Bend	trans	-118	28.4	-172.5	-154.4	161.8	-142.4	0	0	113.8
289	A	31.9	Very low	30.3	Very low	92 Å²	92	139.5 Å²	139.5	76%	0.76	77%	0.771	S	S	*	*	S	Bend	trans	-136.2	-4.2	-177.5	0	0	0	0	0	116.1
290	M	31	Very low	30.2	Very low	187 Å²	187	138.3 Å²	138.3	92%	0.921	78%	0.775	S	S	*	*	S	Bend	trans	-144.3	67.5	174.7	-76.6	-163.1	168.4	0	0	112.1
291	R	28	Very low	29.9	Very low	193 Å²	193	137.3 Å²	137.3	73%	0.728	77%	0.772	S	S	*	*			trans	-137.9	90.3	156.4	-68.9	-168.8	-164.7	167.1	8.7	109.8	E287	E287-R291 IonicContact OE1-CZ 2.74Å; E287-R291 IonicContact OE1-NE 3.37Å; E287-R291 IonicContact OE1-NH2 2.65Å; E287-R291 PolarHBondContact OE1-NH2 2.65Å; E287-R291 IonicContact OE2-NH2 2.67Å; E287-R291 PolarHBondContact OE2-NH2 2.77Å
292	D	29.1	Very low	30.7	Very low	145 Å²	145	137.8 Å²	137.8	78%	0.775	78%	0.776	S	S	*	*			trans	-143.5	153.8	144.6	-154	-5.1	0	0	0	109.1
293	H	32.1	Very low	30.6	Very low	157 Å²	157	135.8 Å²	135.8	73%	0.727	77%	0.773	S	S	*	*	S	Bend	trans	66.9	118.1	-176.9	-78.2	-82	0	0	0	120.5
294	D	27.3	Very low	30.4	Very low	130 Å²	130	138.7 Å²	138.7	70%	0.695	77%	0.773	S	S	*	*			trans	81.6	87.8	149	-78.9	-56.8	0	0	0	124
295	S	28.3	Very low	30.4	Very low	95 Å²	95	139.8 Å²	139.8	66%	0.664	78%	0.781	S	S	*	*				58	132.9	105	-46.6	0	0	0	0	122.6
296	D	29.6	Very low	30.5	Very low	132 Å²	132	138.4 Å²	138.4	71%	0.706	78%	0.784	S	S	*	*			trans	63.3	89.2	141.8	-87.1	29.7	0	0	0	121.4
297	K	30.2	Very low	30.4	Very low	194 Å²	194	136 Å²	136	84%	0.843	79%	0.785	S	S	*	*				179.1	163.9	81.2	-100.6	159.2	-173.4	163.8	0	114.6
298	A	29	Very low	30.3	Very low	108 Å²	108	132.7 Å²	132.7	89%	0.893	79%	0.789	S	S	*	*			trans	-92.8	154	-169.8	0	0	0	0	0	114.9
299	G	27.1	Very low	30.2	Very low	81 Å²	81	136 Å²	136	84%	0.835	79%	0.794	S	S	*	*			trans	-167.6	121.8	171.2	0	0	0	0	0	111.6
300	S	30	Very low	30	Very low	125 Å²	125	138.3 Å²	138.3	87%	0.874	80%	0.799	S	S	*	*			trans	-87	146.5	-165.3	52.3	0	0	0	0	116.4
301	S	25.2	Very low	30.1	Very low	108 Å²	108	138.6 Å²	138.6	76%	0.755	80%	0.798	S	S	*	*			trans	-44.2	172.5	157.8	-58.9	0	0	0	0	116
302	P	48	Very low	30.1	Very low	115 Å²	115	135.4 Å²	135.4	75%	0.747	81%	0.805	S	S	*	*			cis	-140.6	-172.9	-34	35.4	-16.2	0	0	0	114.5
303	S	26.5	Very low	30.3	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	81%	0.813	S	S	*	*			trans	115.9	156.3	134.2	84.2	0	0	0	0	120
304	Q	27.3	Very low	30.2	Very low	181 Å²	181	135.9 Å²	135.9	85%	0.846	82%	0.816	S	S	*	*			trans	76.5	121.8	161.4	-68.8	171.8	83.7	0	0	120.1
305	S	32.5	Very low	30.5	Very low	113 Å²	113	135.9 Å²	135.9	79%	0.79	82%	0.823	S	S	*	*			trans	-61.8	164.1	160.3	-37.8	0	0	0	0	111.3
306	P	36.1	Very low	30.7	Very low	129 Å²	129	135.8 Å²	135.8	84%	0.838	83%	0.828	S	S	*	*				-140.6	171.4	104.7	37.4	-25.5	0	0	0	115.6
307	T	29.3	Very low	31.1	Very low	138 Å²	138	135.8 Å²	135.8	85%	0.847	84%	0.835	S	S	*	*			trans	-77.1	150.9	-177.9	46.7	0	0	0	0	115.1
308	G	28	Very low	31.2	Very low	75 Å²	75	132.2 Å²	132.2	77%	0.773	84%	0.835	S	S	*	*			trans	89.8	99.5	130.9	0	0	0	0	0	117.3
309	W	27.1	Very low	31.6	Very low	265 Å²	265	136.1 Å²	136.1	100%	1.004	84%	0.835	S	S	*	*			trans	-114.6	141.2	167.3	-91.4	40.8	0	0	0	111.5
310	T	28.5	Very low	31.8	Very low	141 Å²	141	144.2 Å²	144.2	87%	0.865	84%	0.84	S	S	*	*			trans	-88.1	164.9	-175.2	34.8	0	0	0	0	113
311	Q	33.2	Very low	32	Very low	193 Å²	193	147.6 Å²	147.6	90%	0.902	84%	0.842	S	S	*	*			trans	-72.2	142.8	179.4	-65.6	-179.4	-8	0	0	112.5
312	S	28.9	Very low	32.3	Very low	126 Å²	126	154.1 Å²	154.1	88%	0.881	85%	0.85	S	S	*	*			trans	-140.4	146.7	156	-85.5	0	0	0	0	109.6
313	K	31.3	Very low	31.4	Very low	216 Å²	216	153 Å²	153	94%	0.939	85%	0.851	S	S	*	*			trans	-88.9	149.4	-176.8	-64.2	175.9	-178.9	173.6	0	111.3
314	A	30	Very low	31.5	Very low	96 Å²	96	153.7 Å²	153.7	79%	0.793	86%	0.855	S	S	*	*			trans	-118.3	153.3	165.5	0	0	0	0	0	110.8
315	P	34.5	Very low	31.8	Very low	131 Å²	131	150.6 Å²	150.6	85%	0.851	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-91.6	171.6	-168.5	-4.9	26.3	0	0	0	114.4
316	A	33.1	Very low	31.8	Very low	92 Å²	92	155.7 Å²	155.7	76%	0.76	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-81.2	150.9	174	0	0	0	0	0	112.5
317	P	36.7	Very low	31.8	Very low	132 Å²	132	155.7 Å²	155.7	86%	0.857	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-78.9	142.5	178.5	32.1	-34.9	0	0	0	112.8
318	S	32.4	Very low	32.1	Very low	119 Å²	119	155.3 Å²	155.3	83%	0.832	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-93.5	163	176.6	55.8	0	0	0	0	113
319	Q	37.4	Very low	32.9	Very low	191 Å²	191	159.7 Å²	159.7	89%	0.893	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-68.5	155.9	176.5	-63.7	168.6	-43.9	0	0	112.6
320	R	32.9	Very low	33.5	Very low	251 Å²	251	154.9 Å²	154.9	95%	0.947	84%	0.841	S	S	*	*			trans	-144.5	151	154.3	-161.1	166.8	-173.6	168.7	2.8	110.4
321	E	33.1	Very low	34.5	Very low	195 Å²	195	157.6 Å²	157.6	91%	0.911	84%	0.841	S	S	*	*			trans	-94.4	-162.7	-161.6	-61.5	-179.2	102.2	0	0	114.8
322	R	32.1	Very low	34.6	Very low	246 Å²	246	155 Å²	155	93%	0.928	83%	0.834	S	S	*	*			trans	-122.7	135.2	-148.9	177.9	-172	-170.8	175.1	3.6	112.5
323	A	28.5	Very low	35.2	Very low	92 Å²	92	158.4 Å²	158.4	76%	0.76	83%	0.833	S	S	*	*			trans	-152.5	150.4	163.2	0	0	0	0	0	107.6
324	S	29.6	Very low	35.7	Very low	105 Å²	105	155.6 Å²	155.6	73%	0.734	83%	0.826	S	S	*	*			cis	-177	123.9	-23.8	45.3	0	0	0	0	103.5
325	S	32.2	Very low	36.3	Very low	116 Å²	116	161.6 Å²	161.6	81%	0.811	83%	0.828	S	S	*	*			trans	-37.7	140.2	-168.2	-47.1	0	0	0	0	118.2
326	F	32.2	Very low	36.7	Very low	220 Å²	220	161 Å²	161	97%	0.965	82%	0.824	S	S	*	*			trans	-122.5	152.6	138.5	-95.1	-83.9	0	0	0	109.7
327	N	36.9	Very low	37.2	Very low	129 Å²	129	167 Å²	167	69%	0.69	83%	0.827	S	S	*	*			trans	-122.8	118	-161	177.3	29.5	0	0	0	111.6
328	T	35.7	Very low	37.6	Very low	131 Å²	131	167.2 Å²	167.2	80%	0.804	82%	0.821	S	S	*	*			trans	-141	115.1	166.5	-46.8	0	0	0	0	109
329	Q	45.5	Very low	38.3	Very low	166 Å²	166	171.6 Å²	171.6	78%	0.776	83%	0.825	S	S	*	*			trans	-87.4	106.5	177.3	-68.9	-174.9	-2.1	0	0	110.9
330	E	38.3	Very low	38.8	Very low	165 Å²	165	171 Å²	171	77%	0.771	82%	0.815	S	S	*	*			trans	-110.7	130.3	159.6	-76.6	-137.9	113.6	0	0	111.5	N332	E330-N332 PolarHBondContact O-N 2.77Å
331	K	49	Very low	39.7	Very low	198 Å²	198	164.3 Å²	164.3	86%	0.861	80%	0.798	S	S	*	*			trans	-82	61.1	-171.5	-69.8	173.2	179	164.9	0	112.1	K333	K331-K333 PolarHBondContact O-N 2.82Å
332	N	37.3	Very low	41	Very low	139 Å²	139	158.2 Å²	158.2	74%	0.743	78%	0.777	S	S	*	*			trans	-71	74.7	166.1	-87.2	-43.7	0	0	0	110.7	E330 I334	E330-N332 PolarHBondContact O-N 2.77Å; N332-I334 PolarHBondContact O-N 2.84Å
333	K	40.8	Very low	42.2	Very low	197 Å²	197	148 Å²	148	86%	0.857	74%	0.743	S	S	*	*			trans	-60.3	91.6	157.4	-89	-170.3	174	-177.5	0	107.2	K331 R335	K331-K333 PolarHBondContact O-N 2.82Å; K333-R335 VanDerWaalsContact C-N 3.35Å; K333-R335 PolarHBondContact O-N 3.36Å
334	I	41.5	Very low	43.7	Very low	157 Å²	157	152.1 Å²	152.1	81%	0.805	74%	0.74	S	S	*	*			trans	-54	105.6	161.9	-60.9	173.2	0	0	0	105.5	N332	N332-I334 PolarHBondContact O-N 2.84Å
335	R	42.3	Very low	45.8	Very low	222 Å²	222	154.6 Å²	154.6	84%	0.838	74%	0.735	S	S	*	*			trans	-53.3	132.9	170.6	-67	-175.8	-179.2	-171.5	1.3	106.2	K333 R337	K333-R335 VanDerWaalsContact C-N 3.35Å; K333-R335 PolarHBondContact O-N 3.36Å; R335-R337 VanDerWaalsContact C-N 3.34Å; R335-R337 PolarHBondContact O-N 2.79Å
336	P	42.8	Very low	48.3	Very low	118 Å²	118	153.2 Å²	153.2	77%	0.766	71%	0.712	S	S	*	*			trans	-58.3	106.7	171.8	25.2	-32	0	0	0	106.4	D338	P336-D338 PolarHBondContact O-N 3.25Å
337	R	43.7	Very low	51.2	Low	218 Å²	218	146 Å²	146	82%	0.823	68%	0.681	S	S	*	*			trans	-56.1	114.3	177.3	175.6	178.6	179.9	168.3	0.4	105.4	R335 K339	R335-R337 VanDerWaalsContact C-N 3.34Å; R335-R337 PolarHBondContact O-N 2.79Å; R337-K339 PolarHBondContact O-N 3.44Å
338	D	46	Very low	53.8	Low	137 Å²	137	140.3 Å²	140.3	73%	0.733	65%	0.65	S	S	*	*			trans	-47.3	136.2	-175	-67.5	-70	0	0	0	109.2	P336 R340	P336-D338 PolarHBondContact O-N 3.25Å; D338-R340 PolarHBondContact O-N 2.92Å
339	K	47.2	Very low	56.5	Low	210 Å²	210	137.9 Å²	137.9	91%	0.913	63%	0.63	S	S	*	*			trans	-66.6	78.1	172.5	-70.8	-178.8	179.6	176.1	0	107.2	R337 D341	R337-K339 PolarHBondContact O-N 3.44Å; K339-D341 PolarHBondContact O-N 3.38Å
340	R	46.8	Very low	58.5	Low	179 Å²	179	131.3 Å²	131.3	68%	0.675	60%	0.604	S	S	*	*			trans	-52.6	105.7	172.4	-76.1	-168.5	177.4	-167.6	-2.4	105.7	D338 S342	D338-R340 PolarHBondContact O-N 2.92Å; R340-S342 PolarHBondContact O-N 3.49Å
341	D	53.3	Low	61	Low	110 Å²	110	129 Å²	129	59%	0.588	61%	0.607	S	S	*	*			trans	-61.7	140.6	-172.6	-178.9	29	0	0	0	108.6	K339 S343 Y344	K339-D341 PolarHBondContact O-N 3.38Å; D341-S343 WeakPolarHBondContact CB-OG 3.37Å; D341-S343 PolarHBondContact O-N 3.4Å; D341-S343 VanDerWaalsContact O-N 3.13Å; D341-S343 WeakPolarHBondContact OD2-CB 3.35Å; D341-S343 PolarHBondContact OD2-OG 3.2Å; D341-Y344 PolarHBondContact O-N 2.98Å
342	S	59.2	Low	63	Low	67 Å²	67	124.3 Å²	124.3	47%	0.469	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-69.8	-13.3	-171.6	-159.7	0	0	0	0	111.5	R340 Y344 R402	R340-S342 PolarHBondContact O-N 3.49Å; S342-Y344 PolarHBondContact O-N 3.22Å; S342-R402 PolarHBondContact O-NH1 2.82Å; S342-R402 PolarHBondContact O-NH2 2.78Å; S342-R402 PolarHBondContact OG-NH2 3.39Å
343	S	58.4	Low	65.7	Low	33 Å²	33	118.3 Å²	118.3	23%	0.231	56%	0.556	C	S	.	*	G	3₁₀ helix	trans	-41.7	-57.3	165.3	44.4	0	0	0	0	112.6	D341 Y345 W346 E347 Y415	D341-S343 WeakPolarHBondContact CB-OG 3.37Å; D341-S343 PolarHBondContact O-N 3.4Å; D341-S343 VanDerWaalsContact O-N 3.13Å; D341-S343 WeakPolarHBondContact OD2-CB 3.35Å; D341-S343 PolarHBondContact OD2-OG 3.2Å; S343-Y345 PolarHBondContact O-N 3.19Å; S343-W346 PolarHBondContact O-N 2.73Å; S343-E347 PolarHBondContact O-N 2.81Å; S343-Y415 WeakPolarHBondContact CB-OH 3.36Å; S343-Y415 PolarHBondContact O-OH 3.44Å
344	Y	58.5	Low	68.3	Low	178 Å²	178	116.3 Å²	116.3	70%	0.698	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-52.7	-27.5	-169.5	-174	-101.7	0	0	0	115.8	D341 S342 W346	D341-Y344 PolarHBondContact O-N 2.98Å; S342-Y344 PolarHBondContact O-N 3.22Å; Y344-W346 VanDerWaalsContact C-N 3.3Å; Y344-W346 PolarHBondContact O-N 2.82Å
345	Y	73.9	Confident	70.8	Confident	156 Å²	156	112.2 Å²	112.2	61%	0.612	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-81.3	-1.7	-179.7	-75.1	-79.2	0	0	0	115	S343	S343-Y345 PolarHBondContact O-N 3.19Å
346	W	86	Confident	73.1	Confident	88 Å²	88	107.6 Å²	107.6	33%	0.333	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	1	-173.1	-60	77.9	0	0	0	113.3	S343 Y344 R402 F412 G414 Y415	S343-W346 PolarHBondContact O-N 2.73Å; Y344-W346 VanDerWaalsContact C-N 3.3Å; Y344-W346 PolarHBondContact O-N 2.82Å; W346-R402 HydrophobicContact CD2-CG 4.06Å; W346-R402 HydrophobicContact CE3-CG 4.2Å; W346-R402 HydrophobicContact CG-CG 4.2Å; W346-F412 AromaticContact CE3-CD1 3.95Å; W346-F412 HydrophobicContact CE3-CD1 3.95Å; W346-F412 AromaticContact CE3-CE1 3.79Å; W346-F412 HydrophobicContact CE3-CE1 3.79Å; W346-F412 HydrophobicContact CZ3-CD1 4.18Å; W346-F412 HydrophobicContact CZ3-CE1 4.47Å; W346-G414 CarbonylContact O-C 3.55Å; W346-G414 VanDerWaalsContact O-CA 3.23Å; W346-G414 WeakPolarHBondContact O-CA 3.44Å; W346-Y415 HydrophobicContact CB-CD1 4.22Å; W346-Y415 HydrophobicContact CB-CE1 3.95Å; W346-Y415 WeakPolarHBondContact O-CD1 3.44Å; W346-Y415 WeakPolarHBondContact O-CE1 3.16Å; W346-Y415 PolarHBondContact O-N 3.02Å
347	E	91.6	Very high	75.5	Confident	68 Å²	68	104.6 Å²	104.6	32%	0.318	49%	0.493	S	S	.	.	B	Isolated β-bridge	trans	-88.6	122.9	173.5	-159	153.5	157.1	0	0	107.6	S343 Y415 T417	S343-E347 PolarHBondContact O-N 2.81Å; E347-Y415 CarbonylContact C-O 3.54Å; E347-Y415 WeakPolarHBondContact CA-O 3.44Å; E347-Y415 HydrophobicContact CB-CE1 4.11Å; E347-Y415 HydrophobicContact CB-CE2 3.91Å; E347-Y415 VanDerWaalsContact CD-CE2 3.44Å; E347-Y415 HydrophobicContact CG-CD2 4.15Å; E347-Y415 HydrophobicContact CG-CE2 3.52Å; E347-Y415 WeakPolarHBondContact OE2-CE2 3.13Å; E347-Y415 PolarHBondContact OE2-OH 3.05Å; E347-T417 HydrophobicContact CG-CG2 4.21Å; E347-T417 WeakPolarHBondContact OE1-CB 3.34Å; E347-T417 WeakPolarHBondContact OE1-CG2 3.4Å; E347-T417 PolarHBondContact OE1-OG1 2.86Å
348	I	92.6	Very high	77.8	Confident	9 Å²	9	99.2 Å²	99.2	5%	0.046	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-103.5	131.5	-175.4	-58.7	169.8	0	0	0	108.3	E352 V353 W372 Y415 M416 V424	I348-E352 HydrophobicContact CG2-CB 4.22Å; I348-V353 HydrophobicContact CG2-CG2 3.47Å; I348-V353 VanDerWaalsContact CG2-CG2 3.47Å; I348-W372 HydrophobicContact CD1-CD2 3.96Å; I348-W372 HydrophobicContact CD1-CE3 4.11Å; I348-W372 HydrophobicContact CD1-CH2 3.9Å; I348-W372 HydrophobicContact CD1-CZ2 3.76Å; I348-W372 HydrophobicContact CD1-CZ3 4.08Å; I348-W372 HydrophobicContact CG1-CH2 4.22Å; I348-W372 HydrophobicContact CG1-CZ2 3.75Å; I348-W372 HydrophobicContact CG2-CZ2 4.37Å; I348-Y415 PolarHBondContact N-O 3.2Å; I348-M416 HydrophobicContact CB-CG 4.25Å; I348-V424 HydrophobicContact CD1-CB 3.96Å; I348-V424 HydrophobicContact CD1-CG1 4.31Å; I348-V424 HydrophobicContact CD1-CG2 3.84Å
349	E	91.1	Very high	79.9	Confident	80 Å²	80	96.8 Å²	96.8	37%	0.374	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-71.2	134.3	174	-69.4	-69.9	-179.7	0	0	110.4	S351 E352 K418	E349-S351 PolarHBondContact O-N 3.26Å; E349-S351 VanDerWaalsContact O-N 3.1Å; E349-E352 HydrophobicContact CB-CG 4.18Å; E349-E352 WeakPolarHBondContact O-CB 3.42Å; E349-E352 PolarHBondContact O-N 2.74Å; E349-K418 IonicContact OE1-NZ 3.68Å; E349-K418 PolarHBondContact OE1-NZ 3.21Å; E349-K418 WeakPolarHBondContact OE2-CD 3.25Å; E349-K418 WeakPolarHBondContact OE2-CE 3.49Å; E349-K418 IonicContact OE2-NZ 3.71Å; E349-K418 PolarHBondContact OE2-NZ 2.89Å
350	A	88.3	Confident	81.6	Confident	29 Å²	29	88.1 Å²	88.1	24%	0.24	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-61.1	-26.5	-173.2	0	0	0	0	0	113.6	E352 V353 M416	A350-E352 VanDerWaalsContact C-N 3.27Å; A350-E352 PolarHBondContact O-N 3.09Å; A350-V353 PolarHBondContact O-N 3.15Å; A350-M416 HydrophobicContact CB-CE 3.73Å
351	S	90.8	Very high	83.2	Confident	117 Å²	117	82.8 Å²	82.8	82%	0.818	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-68.6	-17.2	174.4	47.6	0	0	0	0	114.6	E349	E349-S351 PolarHBondContact O-N 3.26Å; E349-S351 VanDerWaalsContact O-N 3.1Å
352	E	91.9	Very high	84	Confident	99 Å²	99	79.4 Å²	79.4	46%	0.463	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-83.2	-18.7	176.3	-60.7	177.8	-168	0	0	112.9	I348 E349 A350 W372	I348-E352 HydrophobicContact CG2-CB 4.22Å; E349-E352 HydrophobicContact CB-CG 4.18Å; E349-E352 WeakPolarHBondContact O-CB 3.42Å; E349-E352 PolarHBondContact O-N 2.74Å; A350-E352 VanDerWaalsContact C-N 3.27Å; A350-E352 PolarHBondContact O-N 3.09Å; E352-W372 PolarHBondContact OE2-NE1 2.92Å
353	V	93.8	Very high	84.2	Confident	12 Å²	12	80.5 Å²	80.5	7%	0.073	42%	0.422	C	S	.	.			trans	-105.7	101.6	-168.5	-175.9	0	0	0	0	110.5	I348 A350 L355 W372 V378 M416	I348-V353 HydrophobicContact CG2-CG2 3.47Å; I348-V353 VanDerWaalsContact CG2-CG2 3.47Å; A350-V353 PolarHBondContact O-N 3.15Å; V353-L355 HydrophobicContact CG1-CD2 4.35Å; V353-L355 PolarHBondContact O-N 3.18Å; V353-W372 HydrophobicContact CG2-CB 4.3Å; V353-W372 HydrophobicContact CG2-CG 4.22Å; V353-V378 HydrophobicContact CG1-CG2 3.7Å; V353-M416 HydrophobicContact CB-SD 4.34Å; V353-M416 HydrophobicContact CG1-SD 4.45Å; V353-M416 HydrophobicContact CG2-SD 4.05Å
354	Y	94.4	Very high	84.6	Confident	156 Å²	156	80.5 Å²	80.5	61%	0.612	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	105.4	175.5	-173.8	-110.1	0	0	0	110.7	H356 G370 K371	Y354-H356 AromaticContact CE1-ND1 3.63Å; Y354-G370 CarbonylContact O-C 3.51Å; Y354-G370 WeakPolarHBondContact O-CA 3.38Å; Y354-K371 PolarHBondContact N-O 3.48Å; Y354-K371 PolarHBondContact O-N 3.2Å
355	L	93.5	Very high	85.6	Confident	70 Å²	70	72.1 Å²	72.1	37%	0.366	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	141	173.9	-62.9	176.2	0	0	0	111	V353 V378 I380	V353-L355 HydrophobicContact CG1-CD2 4.35Å; V353-L355 PolarHBondContact O-N 3.18Å; L355-V378 HydrophobicContact CD2-CB 3.86Å; L355-V378 HydrophobicContact CD2-CG1 3.89Å; L355-V378 HydrophobicContact CD2-CG2 3.99Å; L355-I380 HydrophobicContact CD1-CD1 3.83Å; L355-I380 HydrophobicContact CD2-CD1 4.44Å
356	H	92.2	Very high	86.3	Confident	126 Å²	126	65.5 Å²	65.5	58%	0.583	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	-124.6	-176.8	-151.1	62.3	0	0	0	110.5	Y354 K369	Y354-H356 AromaticContact CE1-ND1 3.63Å; H356-K369 CarbonylContact C-O 3.58Å; H356-K369 VanDerWaalsContact CA-O 3.31Å; H356-K369 WeakPolarHBondContact CA-O 3.37Å; H356-K369 VanDerWaalsContact CB-O 3.26Å; H356-K369 WeakPolarHBondContact CB-O 3.37Å; H356-K369 PolarHBondContact N-O 2.74Å
357	S	92.3	Very high	86.5	Confident	55 Å²	55	63.2 Å²	63.2	39%	0.385	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	136.6	-177	49	0	0	0	0	113.3	I359 Y368 K369	S357-I359 PolarHBondContact O-N 2.84Å; S357-Y368 CarbonylContact O-C 3.56Å; S357-Y368 VanDerWaalsContact O-CA 3.32Å; S357-Y368 WeakPolarHBondContact O-CA 3.4Å; S357-K369 PolarHBondContact O-N 2.95Å
358	H	93.1	Very high	86.6	Confident	105 Å²	105	63.1 Å²	63.1	49%	0.486	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.7	165.3	167	-85	0	0	0	109.9	T366 Y368	H358-T366 WeakPolarHBondContact CD2-CG2 3.43Å; H358-T366 WeakPolarHBondContact NE2-CG2 3.26Å; H358-Y368 HydrophobicContact CB-CD1 4.07Å; H358-Y368 HydrophobicContact CB-CE1 3.96Å
359	I	89.5	Confident	86.7	Confident	86 Å²	86	64.2 Å²	64.2	44%	0.441	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-37.4	-176.8	-55.4	-56.7	0	0	0	111.7	S357 V367 K369 W427	S357-I359 PolarHBondContact O-N 2.84Å; I359-V367 HydrophobicContact CB-CG1 4.43Å; I359-V367 WeakPolarHBondContact CB-O 3.46Å; I359-V367 PolarHBondContact N-O 3.26Å; I359-K369 HydrophobicContact CD1-CB 4.09Å; I359-K369 HydrophobicContact CG1-CB 4.22Å; I359-W427 HydrophobicContact CD1-CH2 3.78Å; I359-W427 HydrophobicContact CD1-CZ3 4.31Å; I359-W427 HydrophobicContact CG1-CH2 3.87Å; I359-W427 HydrophobicContact CG1-CZ3 3.96Å; I359-W427 HydrophobicContact CG2-CH2 4.5Å
360	G	82.9	Confident	87	Confident	28 Å²	28	60.4 Å²	60.4	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.5	152.5	178	0	0	0	0	0	113.6	V367	G360-V367 PolarHBondContact N-O 2.83Å; G360-V367 PolarHBondContact O-N 3.42Å
361	S	80.6	Confident	87.3	Confident	66 Å²	66	65 Å²	65	46%	0.462	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.1	-180	-159.3	0	0	0	0	110.9	T366 K382	S361-T366 PolarHBondContact OG-OG1 3.43Å; S361-K382 WeakPolarHBondContact OG-CE 3.27Å; S361-K382 PolarHBondContact OG-NZ 3.02Å
362	G	69.9	Low	87.5	Confident	40 Å²	40	61.8 Å²	61.8	41%	0.412	33%	0.326	S	S	.	.			trans	-98.8	-173.8	176.6	0	0	0	0	0	112.7	F364 G365 K382	G362-F364 VanDerWaalsContact C-N 3.32Å; G362-F364 PolarHBondContact O-N 3.27Å; G362-G365 PolarHBondContact N-O 3.08Å; G362-K382 WeakPolarHBondContact O-CE 3.41Å; G362-K382 PolarHBondContact O-NZ 2.86Å
363	S	63.6	Low	87.6	Confident	89 Å²	89	65.4 Å²	65.4	62%	0.622	34%	0.342	S	S	*	.	S	Bend	trans	-71.2	-21	178.1	35.4	0	0	0	0	114.5
364	F	67.1	Low	87.7	Confident	34 Å²	34	66.8 Å²	66.8	15%	0.149	36%	0.359	C	S	.	.	S	Bend	trans	-110.7	-14.4	-175.8	-52.3	-65.4	0	0	0	114	G362 L381 K382 K497	G362-F364 VanDerWaalsContact C-N 3.32Å; G362-F364 PolarHBondContact O-N 3.27Å; F364-L381 WeakPolarHBondContact O-CA 3.3Å; F364-L381 WeakPolarHBondContact O-CD2 3.44Å; F364-K382 PolarHBondContact O-N 3.34Å; F364-K382 VanDerWaalsContact O-N 3.16Å; F364-K497 HydrophobicContact CD1-CB 4.32Å; F364-K497 HydrophobicContact CD1-CG 3.86Å; F364-K497 HydrophobicContact CD2-CD 4.14Å; F364-K497 HydrophobicContact CD2-CG 4.04Å; F364-K497 HydrophobicContact CE1-CB 3.64Å; F364-K497 HydrophobicContact CE1-CD 4.08Å; F364-K497 HydrophobicContact CE1-CG 3.45Å; F364-K497 VanDerWaalsContact CE1-CG 3.45Å; F364-K497 HydrophobicContact CE2-CD 3.43Å; F364-K497 VanDerWaalsContact CE2-CD 3.43Å; F364-K497 HydrophobicContact CE2-CG 3.64Å; F364-K497 HydrophobicContact CG-CG 4.16Å; F364-K497 HydrophobicContact CZ-CB 3.79Å; F364-K497 HydrophobicContact CZ-CD 3.42Å; F364-K497 VanDerWaalsContact CZ-CD 3.42Å; F364-K497 HydrophobicContact CZ-CG 3.35Å
365	G	79.4	Confident	87.7	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.01	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	168.4	-173.7	0	0	0	0	0	112.7	G362 I380	G362-G365 PolarHBondContact N-O 3.08Å; G365-I380 CarbonylContact C-O 3.57Å; G365-I380 WeakPolarHBondContact CA-O 3.39Å
366	T	88.1	Confident	87.8	Confident	18 Å²	18	58.9 Å²	58.9	11%	0.11	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.6	171.8	-56.5	0	0	0	0	109	H358 S361 Y368 I380	H358-T366 WeakPolarHBondContact CD2-CG2 3.43Å; H358-T366 WeakPolarHBondContact NE2-CG2 3.26Å; S361-T366 PolarHBondContact OG-OG1 3.43Å; T366-Y368 HydrophobicContact CG2-CD2 4.25Å; T366-Y368 HydrophobicContact CG2-CE2 3.48Å; T366-Y368 VanDerWaalsContact CG2-CE2 3.48Å; T366-I380 PolarHBondContact N-O 2.81Å; T366-I380 PolarHBondContact O-N 2.97Å
367	V	90.5	Very high	87.9	Confident	39 Å²	39	53.6 Å²	53.6	24%	0.236	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.3	-178.9	-177	0	0	0	0	109.7	I359 G360 V378 K379	I359-V367 HydrophobicContact CB-CG1 4.43Å; I359-V367 WeakPolarHBondContact CB-O 3.46Å; I359-V367 PolarHBondContact N-O 3.26Å; G360-V367 PolarHBondContact N-O 2.83Å; G360-V367 PolarHBondContact O-N 3.42Å; V367-V378 WeakPolarHBondContact CA-O 3.28Å; V367-K379 HydrophobicContact CG2-CB 4.23Å; V367-K379 HydrophobicContact CG2-CD 4.3Å; V367-K379 HydrophobicContact CG2-CG 3.91Å
368	Y	93.6	Very high	88	Confident	66 Å²	66	51 Å²	51	26%	0.259	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.7	174.4	-60	-98.3	0	0	0	109.2	S357 H358 T366 V378 I380	S357-Y368 CarbonylContact O-C 3.56Å; S357-Y368 VanDerWaalsContact O-CA 3.32Å; S357-Y368 WeakPolarHBondContact O-CA 3.4Å; H358-Y368 HydrophobicContact CB-CD1 4.07Å; H358-Y368 HydrophobicContact CB-CE1 3.96Å; T366-Y368 HydrophobicContact CG2-CD2 4.25Å; T366-Y368 HydrophobicContact CG2-CE2 3.48Å; T366-Y368 VanDerWaalsContact CG2-CE2 3.48Å; Y368-V378 PolarHBondContact N-O 2.67Å; Y368-V378 PolarHBondContact O-N 3.42Å; Y368-I380 HydrophobicContact CD2-CD1 3.9Å; Y368-I380 HydrophobicContact CD2-CG1 4.21Å; Y368-I380 HydrophobicContact CE2-CB 4.43Å; Y368-I380 HydrophobicContact CE2-CD1 3.76Å; Y368-I380 HydrophobicContact CE2-CG1 4.26Å
369	K	95.2	Very high	87.9	Confident	32 Å²	32	47 Å²	47	14%	0.139	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	140.6	156.8	-170.9	167.4	-172.1	175.6	0	106.8	H356 S357 I359 D375 W427 E429	H356-K369 CarbonylContact C-O 3.58Å; H356-K369 VanDerWaalsContact CA-O 3.31Å; H356-K369 WeakPolarHBondContact CA-O 3.37Å; H356-K369 VanDerWaalsContact CB-O 3.26Å; H356-K369 WeakPolarHBondContact CB-O 3.37Å; H356-K369 PolarHBondContact N-O 2.74Å; S357-K369 PolarHBondContact O-N 2.95Å; I359-K369 HydrophobicContact CD1-CB 4.09Å; I359-K369 HydrophobicContact CG1-CB 4.22Å; K369-D375 VanDerWaalsContact CE-CG 3.49Å; K369-D375 WeakPolarHBondContact CE-OD2 3.19Å; K369-D375 IonicContact NZ-OD2 3.65Å; K369-D375 PolarHBondContact NZ-OD2 3.07Å; K369-W427 HydrophobicContact CB-CE3 4Å; K369-W427 HydrophobicContact CB-CH2 3.99Å; K369-W427 HydrophobicContact CB-CZ3 3.64Å; K369-W427 HydrophobicContact CD-CD2 3.79Å; K369-W427 HydrophobicContact CD-CE3 4.02Å; K369-W427 HydrophobicContact CD-CG 4.42Å; K369-W427 HydrophobicContact CD-CH2 4Å; K369-W427 HydrophobicContact CD-CZ2 3.73Å; K369-W427 HydrophobicContact CD-CZ3 4.13Å; K369-W427 HydrophobicContact CG-CD2 3.95Å; K369-W427 HydrophobicContact CG-CE3 3.72Å; K369-W427 HydrophobicContact CG-CH2 4.2Å; K369-W427 HydrophobicContact CG-CZ2 4.39Å; K369-W427 HydrophobicContact CG-CZ3 3.86Å; K369-W427 VanDerWaalsContact NZ-NE1 3.2Å; K369-E429 IonicContact NZ-OE1 2.69Å; K369-E429 PolarHBondContact NZ-OE1 2.96Å; K369-E429 IonicContact NZ-OE2 3.41Å
370	G	95.5	Very high	87.9	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-178.9	175.7	0	0	0	0	0	111.5	Y354 V376	Y354-G370 CarbonylContact O-C 3.51Å; Y354-G370 WeakPolarHBondContact O-CA 3.38Å; G370-V376 PolarHBondContact N-O 2.99Å; G370-V376 WeakPolarHBondContact O-CG2 3.24Å; G370-V376 PolarHBondContact O-N 3.13Å
371	K	96.3	Very high	88	Confident	124 Å²	124	42.9 Å²	42.9	54%	0.539	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	129	172.7	-69.3	-167.5	176.8	-164.9	0	111.8	Y354 G374 D375	Y354-K371 PolarHBondContact N-O 3.48Å; Y354-K371 PolarHBondContact O-N 3.2Å; K371-G374 CarbonylContact C-O 3.45Å; K371-G374 VanDerWaalsContact CA-O 3.26Å; K371-G374 WeakPolarHBondContact CA-O 3.08Å; K371-D375 WeakPolarHBondContact CE-OD1 3.36Å; K371-D375 IonicContact NZ-OD1 2.69Å
372	W	94.9	Very high	87.9	Confident	51 Å²	51	45.1 Å²	45.1	19%	0.193	24%	0.242	C	C	.	.	S	Bend	trans	-156.4	107.8	170	-177.6	79.7	0	0	0	107.8	I348 E352 V353 G374 V376 M413	I348-W372 HydrophobicContact CD1-CD2 3.96Å; I348-W372 HydrophobicContact CD1-CE3 4.11Å; I348-W372 HydrophobicContact CD1-CH2 3.9Å; I348-W372 HydrophobicContact CD1-CZ2 3.76Å; I348-W372 HydrophobicContact CD1-CZ3 4.08Å; I348-W372 HydrophobicContact CG1-CH2 4.22Å; I348-W372 HydrophobicContact CG1-CZ2 3.75Å; I348-W372 HydrophobicContact CG2-CZ2 4.37Å; E352-W372 PolarHBondContact OE2-NE1 2.92Å; V353-W372 HydrophobicContact CG2-CB 4.3Å; V353-W372 HydrophobicContact CG2-CG 4.22Å; W372-G374 PolarHBondContact N-O 2.83Å; W372-G374 PolarHBondContact O-N 3.5Å; W372-V376 HydrophobicContact CB-CG1 4.25Å; W372-V376 HydrophobicContact CB-CG2 4.11Å; W372-V376 WeakPolarHBondContact O-CG1 3.37Å; W372-M413 HydrophobicContact CZ3-CB 4.06Å
373	H	94.1	Very high	88.1	Confident	174 Å²	174	44.4 Å²	44.4	81%	0.806	23%	0.23	S	C	*	.	S	Bend	trans	50.3	20.9	-169.7	-61	-60	0	0	0	116.2
374	G	94.2	Very high	88.4	Confident	41 Å²	41	46.4 Å²	46.4	42%	0.423	24%	0.238	S	C	.	.	S	Bend	trans	145.1	-174.4	-170.6	0	0	0	0	0	109.9	K371 W372	K371-G374 CarbonylContact C-O 3.45Å; K371-G374 VanDerWaalsContact CA-O 3.26Å; K371-G374 WeakPolarHBondContact CA-O 3.08Å; W372-G374 PolarHBondContact N-O 2.83Å; W372-G374 PolarHBondContact O-N 3.5Å
375	D	95.8	Very high	88.8	Confident	60 Å²	60	51.8 Å²	51.8	32%	0.321	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.4	175.7	-78.2	12.4	0	0	0	110.7	K369 K371 W427	K369-D375 VanDerWaalsContact CE-CG 3.49Å; K369-D375 WeakPolarHBondContact CE-OD2 3.19Å; K369-D375 IonicContact NZ-OD2 3.65Å; K369-D375 PolarHBondContact NZ-OD2 3.07Å; K371-D375 WeakPolarHBondContact CE-OD1 3.36Å; K371-D375 IonicContact NZ-OD1 2.69Å; D375-W427 HydrophobicContact CB-CB 4.06Å; D375-W427 HydrophobicContact CB-CG 4.32Å; D375-W427 WeakPolarHBondContact O-CB 3.34Å; D375-W427 PolarHBondContact O-N 3.24Å
376	V	95.8	Very high	88.7	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155	-174.1	-60.8	0	0	0	0	112.2	G370 W372 V378 M413 V424	G370-V376 PolarHBondContact N-O 2.99Å; G370-V376 WeakPolarHBondContact O-CG2 3.24Å; G370-V376 PolarHBondContact O-N 3.13Å; W372-V376 HydrophobicContact CB-CG1 4.25Å; W372-V376 HydrophobicContact CB-CG2 4.11Å; W372-V376 WeakPolarHBondContact O-CG1 3.37Å; V376-V378 HydrophobicContact CG2-CG2 3.83Å; V376-M413 HydrophobicContact CB-SD 4.4Å; V376-M413 HydrophobicContact CG1-CE 4.36Å; V376-M413 HydrophobicContact CG1-SD 3.54Å; V376-M413 VanDerWaalsContact CG1-SD 3.54Å; V376-V424 HydrophobicContact CB-CG1 3.86Å; V376-V424 HydrophobicContact CG1-CG1 4.14Å; V376-V424 HydrophobicContact CG2-CG1 4.02Å
377	A	94.2	Very high	88.4	Confident	15 Å²	15	55.8 Å²	55.8	12%	0.124	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	117.5	167.3	0	0	0	0	0	108.9	T425 W427	A377-T425 PolarHBondContact N-O 2.83Å; A377-T425 PolarHBondContact O-N 3.4Å; A377-W427 HydrophobicContact CB-CE3 4.04Å
378	V	93.3	Very high	88.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.9	-179.9	-171.2	0	0	0	0	108.9	V353 L355 V367 Y368 V376 I380 M416 A422 V424	V353-V378 HydrophobicContact CG1-CG2 3.7Å; L355-V378 HydrophobicContact CD2-CB 3.86Å; L355-V378 HydrophobicContact CD2-CG1 3.89Å; L355-V378 HydrophobicContact CD2-CG2 3.99Å; V367-V378 WeakPolarHBondContact CA-O 3.28Å; Y368-V378 PolarHBondContact N-O 2.67Å; Y368-V378 PolarHBondContact O-N 3.42Å; V376-V378 HydrophobicContact CG2-CG2 3.83Å; V378-I380 HydrophobicContact CG1-CG1 4.17Å; V378-M416 HydrophobicContact CG1-SD 4.27Å; V378-A422 HydrophobicContact CG1-CB 4.17Å; V378-V424 HydrophobicContact CG1-CG2 4.41Å
379	K	90.8	Very high	87.3	Confident	21 Å²	21	61.3 Å²	61.3	9%	0.091	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	94.7	179.5	-171.9	174.9	-162.5	178.5	0	109.7	V367 L381 A422 I423 D490 L493	V367-K379 HydrophobicContact CG2-CB 4.23Å; V367-K379 HydrophobicContact CG2-CD 4.3Å; V367-K379 HydrophobicContact CG2-CG 3.91Å; K379-L381 HydrophobicContact CG-CD2 4.25Å; K379-A422 VanDerWaalsContact O-CA 3.27Å; K379-A422 WeakPolarHBondContact O-CA 3.46Å; K379-I423 PolarHBondContact N-O 2.95Å; K379-I423 PolarHBondContact O-N 3.5Å; K379-D490 IonicContact NZ-OD1 3.51Å; K379-D490 PolarHBondContact NZ-OD1 2.96Å; K379-D490 IonicContact NZ-OD2 2.79Å; K379-D490 PolarHBondContact NZ-OD2 3.48Å; K379-L493 HydrophobicContact CD-CD1 4.13Å
380	I	89.8	Confident	86.4	Confident	26 Å²	26	61.3 Å²	61.3	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123.2	176.1	-58.1	179.2	0	0	0	108.2	L355 G365 T366 Y368 V378 N420 A422	L355-I380 HydrophobicContact CD1-CD1 3.83Å; L355-I380 HydrophobicContact CD2-CD1 4.44Å; G365-I380 CarbonylContact C-O 3.57Å; G365-I380 WeakPolarHBondContact CA-O 3.39Å; T366-I380 PolarHBondContact N-O 2.81Å; T366-I380 PolarHBondContact O-N 2.97Å; Y368-I380 HydrophobicContact CD2-CD1 3.9Å; Y368-I380 HydrophobicContact CD2-CG1 4.21Å; Y368-I380 HydrophobicContact CE2-CB 4.43Å; Y368-I380 HydrophobicContact CE2-CD1 3.76Å; Y368-I380 HydrophobicContact CE2-CG1 4.26Å; V378-I380 HydrophobicContact CG1-CG1 4.17Å; I380-N420 HydrophobicContact CG2-CB 3.65Å; I380-A422 HydrophobicContact CB-CB 4.5Å; I380-A422 HydrophobicContact CG1-CB 4.09Å
381	L	85.2	Confident	85.7	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.016	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	145.7	-176.4	-54.7	179.7	0	0	0	110.8	F364 K379 V383 F394 L421 W500	F364-L381 WeakPolarHBondContact O-CA 3.3Å; F364-L381 WeakPolarHBondContact O-CD2 3.44Å; K379-L381 HydrophobicContact CG-CD2 4.25Å; L381-V383 PolarHBondContact O-N 2.89Å; L381-F394 HydrophobicContact CD1-CD2 3.63Å; L381-F394 HydrophobicContact CD1-CE2 3.62Å; L381-L421 HydrophobicContact CB-CB 4.39Å; L381-L421 WeakPolarHBondContact CB-O 3.46Å; L381-L421 HydrophobicContact CD1-CB 4.35Å; L381-L421 PolarHBondContact N-O 2.81Å; L381-W500 HydrophobicContact CB-CH2 4.1Å; L381-W500 HydrophobicContact CB-CZ3 3.81Å; L381-W500 HydrophobicContact CD1-CH2 3.56Å; L381-W500 HydrophobicContact CD1-CZ2 4.47Å; L381-W500 HydrophobicContact CD1-CZ3 3.98Å; L381-W500 HydrophobicContact CG-CH2 4.47Å; L381-W500 HydrophobicContact CG-CZ3 4.48Å
382	K	78.6	Confident	85	Confident	113 Å²	113	61.6 Å²	61.6	49%	0.491	33%	0.332	S	S	.	.	S	Bend	trans	-81.6	59.3	-172.6	-77.1	175.3	175.5	175.6	0	113	S361 G362 F364	S361-K382 WeakPolarHBondContact OG-CE 3.27Å; S361-K382 PolarHBondContact OG-NZ 3.02Å; G362-K382 WeakPolarHBondContact O-CE 3.41Å; G362-K382 PolarHBondContact O-NZ 2.86Å; F364-K382 PolarHBondContact O-N 3.34Å; F364-K382 VanDerWaalsContact O-N 3.16Å
383	V	74.1	Confident	84.1	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.152	33%	0.325	C	S	.	.			trans	-141.1	113.6	178.1	175.2	0	0	0	0	109.5	L381 P386 W500	L381-V383 PolarHBondContact O-N 2.89Å; V383-P386 VanDerWaalsContact CG1-CA 3.46Å; V383-P386 HydrophobicContact CG1-CB 3.75Å; V383-W500 HydrophobicContact CB-CZ3 4.12Å; V383-W500 HydrophobicContact CG2-CD2 4.38Å; V383-W500 HydrophobicContact CG2-CE3 3.45Å; V383-W500 VanDerWaalsContact CG2-CE3 3.45Å; V383-W500 HydrophobicContact CG2-CH2 4.21Å; V383-W500 HydrophobicContact CG2-CZ3 3.35Å
384	T	69.3	Low	83.5	Confident	130 Å²	130	51.2 Å²	51.2	80%	0.798	29%	0.287	S	S	*	.	S	Bend	trans	-77	-38.7	179.5	-18.7	0	0	0	0	112.4
385	D	75.8	Confident	83	Confident	148 Å²	148	54.8 Å²	54.8	79%	0.791	29%	0.288	S	S	*	.	S	Bend	trans	-132.3	102.5	175.5	-85.8	-60.3	0	0	0	109
386	P	78.2	Confident	82.1	Confident	46 Å²	46	55.9 Å²	55.9	30%	0.299	29%	0.294	S	S	.	.			trans	-80.3	131.9	-178.9	30.2	-33.1	0	0	0	111.9	V383 Q390 L421	V383-P386 VanDerWaalsContact CG1-CA 3.46Å; V383-P386 HydrophobicContact CG1-CB 3.75Å; P386-Q390 HydrophobicContact CB-CB 4.37Å; P386-L421 HydrophobicContact CB-CD1 3.73Å; P386-L421 HydrophobicContact CG-CD1 3.94Å; P386-L421 HydrophobicContact CG-CG 4.21Å
387	T	81.9	Confident	81.3	Confident	57 Å²	57	56.2 Å²	56.2	35%	0.35	30%	0.295	S	S	.	.			trans	-64.5	157.7	171.7	85.9	0	0	0	0	110.8	E389 Q390 L391	T387-E389 WeakPolarHBondContact CB-OE2 3.41Å; T387-E389 PolarHBondContact O-N 3.44Å; T387-E389 VanDerWaalsContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.14Å; T387-E389 PolarHBondContact OG1-OE2 2.85Å; T387-Q390 HydrophobicContact CG2-CG 4.45Å; T387-Q390 WeakPolarHBondContact O-CB 3.29Å; T387-Q390 PolarHBondContact O-N 2.85Å; T387-Q390 PolarHBondContact OG1-N 3.31Å; T387-L391 PolarHBondContact O-N 2.9Å
388	P	82.6	Confident	80.8	Confident	97 Å²	97	55.7 Å²	55.7	63%	0.63	29%	0.291	S	S	*	.	H	α-helix	trans	-53.7	-34.2	176.6	-27.1	36.3	0	0	0	113.3	Q392	P388-Q392 VanDerWaalsContact O-CB 3.25Å; P388-Q392 WeakPolarHBondContact O-CB 3.28Å; P388-Q392 PolarHBondContact O-N 2.82Å
389	E	77.4	Confident	80.3	Confident	124 Å²	124	57.7 Å²	57.7	58%	0.579	31%	0.307	S	S	*	.	H	α-helix	trans	-72.3	-38.1	177.8	-53.6	68.4	-145	0	0	112	T387 A393	T387-E389 WeakPolarHBondContact CB-OE2 3.41Å; T387-E389 PolarHBondContact O-N 3.44Å; T387-E389 VanDerWaalsContact O-N 3.12Å; T387-E389 PolarHBondContact OG1-N 3.14Å; T387-E389 PolarHBondContact OG1-OE2 2.85Å; E389-A393 WeakPolarHBondContact O-CB 3.49Å; E389-A393 PolarHBondContact O-N 3.02Å
390	Q	76.7	Confident	79.9	Confident	31 Å²	31	58.9 Å²	58.9	15%	0.145	32%	0.316	C	S	.	.	H	α-helix	trans	-68.3	-44.9	174.7	-69.1	175	-19.8	0	0	111	P386 T387 A393 F394 W500	P386-Q390 HydrophobicContact CB-CB 4.37Å; T387-Q390 HydrophobicContact CG2-CG 4.45Å; T387-Q390 WeakPolarHBondContact O-CB 3.29Å; T387-Q390 PolarHBondContact O-N 2.85Å; T387-Q390 PolarHBondContact OG1-N 3.31Å; Q390-A393 WeakPolarHBondContact O-CB 3.43Å; Q390-A393 PolarHBondContact O-N 3.37Å; Q390-F394 WeakPolarHBondContact O-CB 3.47Å; Q390-F394 PolarHBondContact O-N 2.87Å; Q390-W500 HydrophobicContact CB-CZ2 4.28Å; Q390-W500 HydrophobicContact CG-CG 4.33Å
391	L	81.4	Confident	79.7	Confident	42 Å²	42	58.2 Å²	58.2	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-39.9	175.1	-177.8	63.4	0	0	0	111.8	T387 F394 R395 L421	T387-L391 PolarHBondContact O-N 2.9Å; L391-F394 HydrophobicContact CD1-CD1 4.5Å; L391-F394 PolarHBondContact O-N 3.28Å; L391-R395 WeakPolarHBondContact O-CB 3.47Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 3.08Å; L391-L421 HydrophobicContact CD1-CD2 3.94Å
392	Q	81.4	Confident	79.7	Confident	90 Å²	90	60.6 Å²	60.6	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-70	-35.6	174.8	-170.5	58.4	51.4	0	0	112.1	P388 R395 N396	P388-Q392 VanDerWaalsContact O-CB 3.25Å; P388-Q392 WeakPolarHBondContact O-CB 3.28Å; P388-Q392 PolarHBondContact O-N 2.82Å; Q392-R395 PolarHBondContact O-N 3.44Å; Q392-N396 PolarHBondContact NE2-OD1 3.25Å; Q392-N396 WeakPolarHBondContact O-CB 3.41Å; Q392-N396 PolarHBondContact O-N 3.39Å; Q392-N396 PolarHBondContact O-ND2 2.79Å; Q392-N396 PolarHBondContact O-OD1 2.95Å
393	A	75.7	Confident	79.9	Confident	5 Å²	5	61.6 Å²	61.6	4%	0.041	33%	0.326	C	S	.	.	H	α-helix	trans	-62.6	-45.4	172.3	0	0	0	0	0	111.5	E389 Q390 N396 E397 V496	E389-A393 WeakPolarHBondContact O-CB 3.49Å; E389-A393 PolarHBondContact O-N 3.02Å; Q390-A393 WeakPolarHBondContact O-CB 3.43Å; Q390-A393 PolarHBondContact O-N 3.37Å; A393-N396 WeakPolarHBondContact O-CB 3.41Å; A393-N396 PolarHBondContact O-N 3.02Å; A393-E397 PolarHBondContact O-N 3.32Å; A393-V496 HydrophobicContact CB-CG2 4.26Å
394	F	82.1	Confident	80.7	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-57.7	-49.9	173.8	176	-103.6	0	0	0	112.1	L381 Q390 L391 N396 E397 V398 Y415 T417 L421 I423 W500	L381-F394 HydrophobicContact CD1-CD2 3.63Å; L381-F394 HydrophobicContact CD1-CE2 3.62Å; Q390-F394 WeakPolarHBondContact O-CB 3.47Å; Q390-F394 PolarHBondContact O-N 2.87Å; L391-F394 HydrophobicContact CD1-CD1 4.5Å; L391-F394 PolarHBondContact O-N 3.28Å; F394-N396 VanDerWaalsContact C-N 3.32Å; F394-N396 PolarHBondContact O-N 3.35Å; F394-E397 PolarHBondContact O-N 2.8Å; F394-V398 HydrophobicContact CD1-CG2 4.44Å; F394-V398 HydrophobicContact CE1-CG2 4.22Å; F394-V398 HydrophobicContact CE2-CG2 4.38Å; F394-V398 HydrophobicContact CZ-CG2 4.2Å; F394-V398 WeakPolarHBondContact O-CB 3.48Å; F394-V398 WeakPolarHBondContact O-CG2 3.21Å; F394-V398 PolarHBondContact O-N 3.48Å; F394-Y415 AromaticContact CE1-CD2 3.76Å; F394-Y415 HydrophobicContact CE1-CD2 3.76Å; F394-Y415 HydrophobicContact CE1-CG 4.4Å; F394-Y415 HydrophobicContact CZ-CD2 4.18Å; F394-Y415 HydrophobicContact CZ-CG 4.48Å; F394-T417 HydrophobicContact CE1-CG2 4.4Å; F394-L421 HydrophobicContact CD1-CD2 4.19Å; F394-L421 HydrophobicContact CE1-CD2 4.03Å; F394-L421 HydrophobicContact CE2-CB 4.35Å; F394-L421 HydrophobicContact CG-CD1 4.35Å; F394-L421 HydrophobicContact CZ-CB 4.36Å; F394-L421 HydrophobicContact CZ-CD2 4.43Å; F394-I423 HydrophobicContact CE2-CD1 4.23Å; F394-I423 HydrophobicContact CE2-CG1 3.8Å; F394-I423 HydrophobicContact CZ-CG1 4.42Å; F394-W500 HydrophobicContact CB-CZ2 4.23Å
395	R	82.4	Confident	81.8	Confident	116 Å²	116	64.6 Å²	64.6	44%	0.438	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-40.4	175.5	-76	174.3	170.6	170.6	-2	112.7	L391 Q392 A399	L391-R395 WeakPolarHBondContact O-CB 3.47Å; L391-R395 WeakPolarHBondContact O-CG 3.4Å; L391-R395 PolarHBondContact O-N 3.08Å; Q392-R395 PolarHBondContact O-N 3.44Å; R395-A399 VanDerWaalsContact O-CB 3.32Å; R395-A399 WeakPolarHBondContact O-CB 3.3Å; R395-A399 PolarHBondContact O-N 3.12Å
396	N	77.6	Confident	82.7	Confident	82 Å²	82	60.2 Å²	60.2	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-40.3	176.9	-69.8	-14.4	0	0	0	111.9	Q392 A393 F394 A399 V400	Q392-N396 PolarHBondContact NE2-OD1 3.25Å; Q392-N396 WeakPolarHBondContact O-CB 3.41Å; Q392-N396 PolarHBondContact O-N 3.39Å; Q392-N396 PolarHBondContact O-ND2 2.79Å; Q392-N396 PolarHBondContact O-OD1 2.95Å; A393-N396 WeakPolarHBondContact O-CB 3.41Å; A393-N396 PolarHBondContact O-N 3.02Å; F394-N396 VanDerWaalsContact C-N 3.32Å; F394-N396 PolarHBondContact O-N 3.35Å; N396-A399 PolarHBondContact O-N 2.93Å; N396-V400 PolarHBondContact O-N 3.16Å
397	E	78	Confident	83.5	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.033	30%	0.301	C	S	.	.	H	α-helix	trans	-74.7	-40.8	178.5	-72.1	-177.5	175.6	0	0	112.8	A393 F394 A399 V400 L401 G492 L493 T495 V496	A393-E397 PolarHBondContact O-N 3.32Å; F394-E397 PolarHBondContact O-N 2.8Å; E397-A399 PolarHBondContact O-N 3.08Å; E397-V400 CarbonylContact O-C 3.53Å; E397-V400 WeakPolarHBondContact O-CA 3.29Å; E397-V400 WeakPolarHBondContact O-CB 3.46Å; E397-V400 PolarHBondContact O-N 2.69Å; E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.49Å; E397-G492 VanDerWaalsContact CD-O 3.29Å; E397-L493 VanDerWaalsContact OE2-CA 3.27Å; E397-L493 WeakPolarHBondContact OE2-CA 3.31Å; E397-T495 WeakPolarHBondContact OE1-CA 3.39Å; E397-T495 VanDerWaalsContact OE1-CB 3.25Å; E397-T495 WeakPolarHBondContact OE1-CB 3.38Å; E397-T495 PolarHBondContact OE1-N 3.45Å; E397-T495 PolarHBondContact OE1-OG1 3.5Å; E397-V496 VanDerWaalsContact CD-CG2 3.44Å; E397-V496 PolarHBondContact OE1-N 2.85Å; E397-V496 WeakPolarHBondContact OE2-CB 3.33Å; E397-V496 WeakPolarHBondContact OE2-CG2 3.41Å
398	V	85.2	Confident	84.3	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-53.4	-42.8	168.1	162.7	0	0	0	0	110.6	F394 V400 L401 R402 F412 Y415	F394-V398 HydrophobicContact CD1-CG2 4.44Å; F394-V398 HydrophobicContact CE1-CG2 4.22Å; F394-V398 HydrophobicContact CE2-CG2 4.38Å; F394-V398 HydrophobicContact CZ-CG2 4.2Å; F394-V398 WeakPolarHBondContact O-CB 3.48Å; F394-V398 WeakPolarHBondContact O-CG2 3.21Å; F394-V398 PolarHBondContact O-N 3.48Å; V398-V400 PolarHBondContact O-N 2.94Å; V398-L401 PolarHBondContact O-N 2.76Å; V398-R402 HydrophobicContact CG1-CG 4.3Å; V398-R402 WeakPolarHBondContact O-CB 3.07Å; V398-R402 WeakPolarHBondContact O-CD 3.49Å; V398-R402 WeakPolarHBondContact O-CG 3.29Å; V398-R402 PolarHBondContact O-N 2.6Å; V398-F412 HydrophobicContact CG1-CZ 4.09Å; V398-Y415 HydrophobicContact CB-CD1 4.48Å; V398-Y415 HydrophobicContact CG1-CD1 3.41Å; V398-Y415 VanDerWaalsContact CG1-CD1 3.41Å; V398-Y415 HydrophobicContact CG1-CE1 3.59Å; V398-Y415 HydrophobicContact CG1-CG 4.01Å; V398-Y415 HydrophobicContact CG2-CD1 4.24Å; V398-Y415 HydrophobicContact CG2-CG 4.01Å
399	A	82.7	Confident	84.8	Confident	41 Å²	41	54.3 Å²	54.3	34%	0.339	26%	0.256	S	S	.	.	H	α-helix	trans	-69.9	-7.9	175.2	0	0	0	0	0	114.7	R395 N396 E397 K403	R395-A399 VanDerWaalsContact O-CB 3.32Å; R395-A399 WeakPolarHBondContact O-CB 3.3Å; R395-A399 PolarHBondContact O-N 3.12Å; N396-A399 PolarHBondContact O-N 2.93Å; E397-A399 PolarHBondContact O-N 3.08Å; A399-K403 VanDerWaalsContact O-CD 3.27Å; A399-K403 WeakPolarHBondContact O-CD 3.36Å; A399-K403 WeakPolarHBondContact O-CE 3.38Å; A399-K403 PolarHBondContact O-NZ 3.35Å
400	V	81.9	Confident	85.6	Confident	46 Å²	46	49.2 Å²	49.2	28%	0.279	23%	0.232	S	C	.	.	H	α-helix	trans	-93.6	-50.9	167	172.4	0	0	0	0	110.4	N396 E397 V398 R402 K403 I468	N396-V400 PolarHBondContact O-N 3.16Å; E397-V400 CarbonylContact O-C 3.53Å; E397-V400 WeakPolarHBondContact O-CA 3.29Å; E397-V400 WeakPolarHBondContact O-CB 3.46Å; E397-V400 PolarHBondContact O-N 2.69Å; V398-V400 PolarHBondContact O-N 2.94Å; V400-R402 VanDerWaalsContact C-N 3.3Å; V400-R402 PolarHBondContact O-N 2.64Å; V400-K403 WeakPolarHBondContact O-CB 3.41Å; V400-K403 PolarHBondContact O-N 2.77Å; V400-I468 HydrophobicContact CG1-CD1 3.61Å; V400-I468 HydrophobicContact CG1-CG1 3.77Å; V400-I468 HydrophobicContact CG1-CG2 4.02Å
401	L	85.9	Confident	86.3	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	24%	0.242	C	C	.	.	H	α-helix	trans	-54	-45.8	179.9	-65.4	175	0	0	0	111.7	E397 V398 K403 T404 F412 I423 F491	E397-L401 WeakPolarHBondContact O-CG 3.49Å; E397-L401 PolarHBondContact O-N 3.49Å; V398-L401 PolarHBondContact O-N 2.76Å; L401-K403 PolarHBondContact O-N 3.15Å; L401-T404 WeakPolarHBondContact O-CB 3.25Å; L401-T404 PolarHBondContact O-N 2.67Å; L401-T404 PolarHBondContact O-OG1 2.95Å; L401-F412 HydrophobicContact CB-CB 4.15Å; L401-F412 HydrophobicContact CB-CD2 3.54Å; L401-F412 HydrophobicContact CB-CE2 4.04Å; L401-F412 HydrophobicContact CB-CG 3.85Å; L401-F412 HydrophobicContact CD1-CD2 3.72Å; L401-F412 HydrophobicContact CD1-CE2 3.9Å; L401-F412 HydrophobicContact CG-CD2 4.23Å; L401-I423 HydrophobicContact CD1-CD1 4.01Å; L401-I423 HydrophobicContact CD1-CG2 4.37Å; L401-F491 HydrophobicContact CD2-CD2 3.95Å; L401-F491 HydrophobicContact CD2-CE1 4.41Å; L401-F491 HydrophobicContact CD2-CE2 3.44Å; L401-F491 VanDerWaalsContact CD2-CE2 3.44Å; L401-F491 HydrophobicContact CD2-CZ 3.7Å
402	R	85.8	Confident	86.9	Confident	53 Å²	53	49.2 Å²	49.2	20%	0.2	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-15.7	176.5	-73.8	170.5	51	164.1	-2.2	115.6	S342 W346 V398 V400 F412	S342-R402 PolarHBondContact O-NH1 2.82Å; S342-R402 PolarHBondContact O-NH2 2.78Å; S342-R402 PolarHBondContact OG-NH2 3.39Å; W346-R402 HydrophobicContact CD2-CG 4.06Å; W346-R402 HydrophobicContact CE3-CG 4.2Å; W346-R402 HydrophobicContact CG-CG 4.2Å; V398-R402 HydrophobicContact CG1-CG 4.3Å; V398-R402 WeakPolarHBondContact O-CB 3.07Å; V398-R402 WeakPolarHBondContact O-CD 3.49Å; V398-R402 WeakPolarHBondContact O-CG 3.29Å; V398-R402 PolarHBondContact O-N 2.6Å; V400-R402 VanDerWaalsContact C-N 3.3Å; V400-R402 PolarHBondContact O-N 2.64Å; R402-F412 HydrophobicContact CG-CD1 3.71Å; R402-F412 HydrophobicContact CG-CE1 3.29Å; R402-F412 HydrophobicContact CG-CZ 3.99Å
403	K	82.8	Confident	87.4	Confident	134 Å²	134	47.3 Å²	47.3	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.5	176.6	-64.9	170.4	-177.9	140.5	0	112.6	A399 V400 L401 Y462	A399-K403 VanDerWaalsContact O-CD 3.27Å; A399-K403 WeakPolarHBondContact O-CD 3.36Å; A399-K403 WeakPolarHBondContact O-CE 3.38Å; A399-K403 PolarHBondContact O-NZ 3.35Å; V400-K403 WeakPolarHBondContact O-CB 3.41Å; V400-K403 PolarHBondContact O-N 2.77Å; L401-K403 PolarHBondContact O-N 3.15Å; K403-Y462 PolarHBondContact O-OH 3.11Å
404	T	89.7	Confident	88.2	Confident	8 Å²	8	47.1 Å²	47.1	5%	0.049	22%	0.223	C	C	.	.			trans	-103.4	127.4	-178.7	68.3	0	0	0	0	112	L401 Y462 L463 I468 F491	L401-T404 WeakPolarHBondContact O-CB 3.25Å; L401-T404 PolarHBondContact O-N 2.67Å; L401-T404 PolarHBondContact O-OG1 2.95Å; T404-Y462 HydrophobicContact CG2-CE1 4.2Å; T404-L463 HydrophobicContact CG2-CD2 3.92Å; T404-I468 HydrophobicContact CG2-CD1 3.56Å; T404-F491 HydrophobicContact CG2-CE2 3.79Å; T404-F491 HydrophobicContact CG2-CZ 4.23Å
405	R	92.4	Very high	88.7	Confident	210 Å²	210	47.3 Å²	47.3	79%	0.792	22%	0.224	S	C	*	.			trans	-155	101	174.2	-173.8	175.6	-179.9	124.3	-2.1	107.3	Y462	R405-Y462 PolarHBondContact N-OH 2.69Å; R405-Y462 PolarHBondContact O-OH 3.29Å
406	H	95.2	Very high	89.1	Confident	57 Å²	57	42.6 Å²	42.6	26%	0.264	21%	0.207	S	C	.	.			trans	-154	148.3	-178.1	179.9	-106.8	0	0	0	108.8	N408 I409 Y462	H406-N408 VanDerWaalsContact C-N 3.28Å; H406-N408 PolarHBondContact ND1-N 3.13Å; H406-N408 PolarHBondContact O-N 3.16Å; H406-I409 HydrophobicContact CB-CB 4.22Å; H406-I409 HydrophobicContact CB-CG1 3.9Å; H406-I409 PolarHBondContact O-N 2.66Å; H406-I409 VanDerWaalsContact O-N 3.13Å; H406-Y462 HydrophobicContact CB-CD1 3.81Å; H406-Y462 HydrophobicContact CB-CD2 3.74Å; H406-Y462 HydrophobicContact CB-CE1 3.99Å; H406-Y462 HydrophobicContact CB-CE2 3.88Å; H406-Y462 HydrophobicContact CB-CG 3.69Å; H406-Y462 AromaticContact CD2-CD2 3.88Å; H406-Y462 AromaticContact CG-CD2 3.88Å; H406-Y462 AromaticContact CG-CG 3.8Å
407	V	95.6	Very high	89.6	Confident	69 Å²	69	40.5 Å²	40.5	42%	0.418	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-41.8	-174.9	61.8	0	0	0	0	112.1	I409 T485 K487	V407-I409 PolarHBondContact O-N 3.31Å; V407-T485 HydrophobicContact CG2-CG2 4.31Å; V407-K487 WeakPolarHBondContact O-CD 3.39Å; V407-K487 VanDerWaalsContact O-CE 3.3Å; V407-K487 WeakPolarHBondContact O-CE 3.45Å; V407-K487 PolarHBondContact O-NZ 3.44Å
408	N	97.1	Very high	89.7	Confident	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.4	-178.9	-58.2	120.4	0	0	0	116	H406 Q455 V486 I488	H406-N408 VanDerWaalsContact C-N 3.28Å; H406-N408 PolarHBondContact ND1-N 3.13Å; H406-N408 PolarHBondContact O-N 3.16Å; N408-Q455 WeakPolarHBondContact CB-O 3.25Å; N408-Q455 PolarHBondContact ND2-OE1 3.02Å; N408-Q455 PolarHBondContact OD1-O 3.28Å; N408-V486 WeakPolarHBondContact CA-O 3.44Å; N408-V486 PolarHBondContact ND2-O 3.24Å; N408-I488 PolarHBondContact O-N 2.81Å
409	I	94.7	Very high	89.3	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.015	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-107.3	140.9	172.4	-63.3	-56.3	0	0	0	108.7	H406 V407 L411 Y462 L463 I488 F491	H406-I409 HydrophobicContact CB-CB 4.22Å; H406-I409 HydrophobicContact CB-CG1 3.9Å; H406-I409 PolarHBondContact O-N 2.66Å; H406-I409 VanDerWaalsContact O-N 3.13Å; V407-I409 PolarHBondContact O-N 3.31Å; I409-L411 PolarHBondContact O-N 2.79Å; I409-Y462 HydrophobicContact CG1-CD1 4.13Å; I409-L463 HydrophobicContact CD1-CD1 3.86Å; I409-L463 HydrophobicContact CD1-CD2 4.13Å; I409-L463 HydrophobicContact CD1-CG 3.81Å; I409-I488 HydrophobicContact CD1-CB 4.02Å; I409-I488 HydrophobicContact CD1-CD1 4.44Å; I409-F491 HydrophobicContact CG2-CE1 3.49Å; I409-F491 VanDerWaalsContact CG2-CE1 3.49Å; I409-F491 HydrophobicContact CG2-CE2 4.5Å; I409-F491 HydrophobicContact CG2-CZ 3.46Å; I409-F491 VanDerWaalsContact CG2-CZ 3.46Å
410	L	92.8	Very high	89.3	Confident	17 Å²	17	53 Å²	53	9%	0.089	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-64.9	118.7	173.6	-169.2	73.6	0	0	0	108.8	F412 T425 Q426 C428 K487 I488	L410-F412 PolarHBondContact O-N 2.76Å; L410-T425 HydrophobicContact CD2-CG2 4.1Å; L410-T425 HydrophobicContact CG-CG2 4.48Å; L410-Q426 HydrophobicContact CD1-CG 3.59Å; L410-Q426 HydrophobicContact CG-CG 4.15Å; L410-C428 VanDerWaalsContact CD1-SG 3.54Å; L410-K487 HydrophobicContact CD1-CB 4.25Å; L410-I488 WeakPolarHBondContact CB-O 3.48Å; L410-I488 PolarHBondContact N-O 3.28Å
411	L	92.6	Very high	89.7	Confident	66 Å²	66	51.1 Å²	51.1	35%	0.346	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-64.7	117.9	-176.4	179.8	63.8	0	0	0	111.2	I409 T425 Q426	I409-L411 PolarHBondContact O-N 2.79Å; L411-T425 CarbonylContact O-C 3.56Å; L411-T425 VanDerWaalsContact O-CA 3.28Å; L411-T425 WeakPolarHBondContact O-CA 3.38Å; L411-T425 WeakPolarHBondContact O-CB 3.38Å; L411-Q426 HydrophobicContact CB-CB 4.16Å; L411-Q426 HydrophobicContact CB-CG 3.96Å; L411-Q426 PolarHBondContact O-N 2.88Å
412	F	92.8	Very high	89.9	Confident	7 Å²	7	50.5 Å²	50.5	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.2	164.1	178.9	-89.2	0	0	0	109.8	W346 V398 L401 R402 L410 G414 Y415 I423	W346-F412 AromaticContact CE3-CD1 3.95Å; W346-F412 HydrophobicContact CE3-CD1 3.95Å; W346-F412 AromaticContact CE3-CE1 3.79Å; W346-F412 HydrophobicContact CE3-CE1 3.79Å; W346-F412 HydrophobicContact CZ3-CD1 4.18Å; W346-F412 HydrophobicContact CZ3-CE1 4.47Å; V398-F412 HydrophobicContact CG1-CZ 4.09Å; L401-F412 HydrophobicContact CB-CB 4.15Å; L401-F412 HydrophobicContact CB-CD2 3.54Å; L401-F412 HydrophobicContact CB-CE2 4.04Å; L401-F412 HydrophobicContact CB-CG 3.85Å; L401-F412 HydrophobicContact CD1-CD2 3.72Å; L401-F412 HydrophobicContact CD1-CE2 3.9Å; L401-F412 HydrophobicContact CG-CD2 4.23Å; R402-F412 HydrophobicContact CG-CD1 3.71Å; R402-F412 HydrophobicContact CG-CE1 3.29Å; R402-F412 HydrophobicContact CG-CZ 3.99Å; L410-F412 PolarHBondContact O-N 2.76Å; F412-G414 WeakPolarHBondContact CE2-O 3.45Å; F412-G414 WeakPolarHBondContact CZ-O 3.35Å; F412-Y415 HydrophobicContact CZ-CD1 4.13Å; F412-I423 HydrophobicContact CD2-CG2 4.06Å; F412-I423 HydrophobicContact CE2-CG2 3.95Å
413	M	92.9	Very high	90.1	Very high	51 Å²	51	48.4 Å²	48.4	25%	0.251	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-42.6	-180	-72.4	171.3	157.2	0	0	111.6	W372 V376 V424 T425 Q426	W372-M413 HydrophobicContact CZ3-CB 4.06Å; V376-M413 HydrophobicContact CB-SD 4.4Å; V376-M413 HydrophobicContact CG1-CE 4.36Å; V376-M413 HydrophobicContact CG1-SD 3.54Å; V376-M413 VanDerWaalsContact CG1-SD 3.54Å; M413-V424 HydrophobicContact CB-CG1 4.2Å; M413-V424 PolarHBondContact N-O 2.74Å; M413-T425 VanDerWaalsContact SD-C 3.59Å; M413-Q426 HydrophobicContact CE-CB 3.89Å; M413-Q426 HydrophobicContact SD-CB 4.47Å
414	G	92.4	Very high	90.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-169.8	177.6	0	0	0	0	0	112.7	W346 F412 V424	W346-G414 CarbonylContact O-C 3.55Å; W346-G414 VanDerWaalsContact O-CA 3.23Å; W346-G414 WeakPolarHBondContact O-CA 3.44Å; F412-G414 WeakPolarHBondContact CE2-O 3.45Å; F412-G414 WeakPolarHBondContact CZ-O 3.35Å; G414-V424 PolarHBondContact N-O 2.87Å; G414-V424 PolarHBondContact O-N 2.69Å
415	Y	92.3	Very high	90.8	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.027	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	155.3	178.6	68.2	-82.8	0	0	0	110.8	S343 W346 E347 I348 F394 V398 F412 T417 A422	S343-Y415 WeakPolarHBondContact CB-OH 3.36Å; S343-Y415 PolarHBondContact O-OH 3.44Å; W346-Y415 HydrophobicContact CB-CD1 4.22Å; W346-Y415 HydrophobicContact CB-CE1 3.95Å; W346-Y415 WeakPolarHBondContact O-CD1 3.44Å; W346-Y415 WeakPolarHBondContact O-CE1 3.16Å; W346-Y415 PolarHBondContact O-N 3.02Å; E347-Y415 CarbonylContact C-O 3.54Å; E347-Y415 WeakPolarHBondContact CA-O 3.44Å; E347-Y415 HydrophobicContact CB-CE1 4.11Å; E347-Y415 HydrophobicContact CB-CE2 3.91Å; E347-Y415 VanDerWaalsContact CD-CE2 3.44Å; E347-Y415 HydrophobicContact CG-CD2 4.15Å; E347-Y415 HydrophobicContact CG-CE2 3.52Å; E347-Y415 WeakPolarHBondContact OE2-CE2 3.13Å; E347-Y415 PolarHBondContact OE2-OH 3.05Å; I348-Y415 PolarHBondContact N-O 3.2Å; F394-Y415 AromaticContact CE1-CD2 3.76Å; F394-Y415 HydrophobicContact CE1-CD2 3.76Å; F394-Y415 HydrophobicContact CE1-CG 4.4Å; F394-Y415 HydrophobicContact CZ-CD2 4.18Å; F394-Y415 HydrophobicContact CZ-CG 4.48Å; V398-Y415 HydrophobicContact CB-CD1 4.48Å; V398-Y415 HydrophobicContact CG1-CD1 3.41Å; V398-Y415 VanDerWaalsContact CG1-CD1 3.41Å; V398-Y415 HydrophobicContact CG1-CE1 3.59Å; V398-Y415 HydrophobicContact CG1-CG 4.01Å; V398-Y415 HydrophobicContact CG2-CD1 4.24Å; V398-Y415 HydrophobicContact CG2-CG 4.01Å; F412-Y415 HydrophobicContact CZ-CD1 4.13Å; Y415-T417 HydrophobicContact CD2-CG2 3.76Å; Y415-T417 HydrophobicContact CE2-CG2 3.59Å; Y415-A422 CarbonylContact C-O 3.59Å; Y415-A422 VanDerWaalsContact CA-O 3.27Å; Y415-A422 WeakPolarHBondContact CA-O 3.26Å; Y415-A422 WeakPolarHBondContact CB-O 3.34Å
416	M	91.1	Very high	90.8	Very high	16 Å²	16	33.9 Å²	33.9	8%	0.079	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	148.1	175.3	-59.7	160.4	54.1	0	0	109.3	I348 A350 V353 V378 A422 V424	I348-M416 HydrophobicContact CB-CG 4.25Å; A350-M416 HydrophobicContact CB-CE 3.73Å; V353-M416 HydrophobicContact CB-SD 4.34Å; V353-M416 HydrophobicContact CG1-SD 4.45Å; V353-M416 HydrophobicContact CG2-SD 4.05Å; V378-M416 HydrophobicContact CG1-SD 4.27Å; M416-A422 HydrophobicContact CB-CB 4.05Å; M416-A422 HydrophobicContact CG-CB 4.42Å; M416-A422 PolarHBondContact N-O 3.28Å; M416-A422 PolarHBondContact O-N 3.03Å; M416-A422 VanDerWaalsContact O-N 3.1Å; M416-A422 HydrophobicContact SD-CB 3.97Å; M416-V424 HydrophobicContact CG-CG2 4.49Å; M416-V424 HydrophobicContact SD-CG2 4.29Å
417	T	87.3	Confident	90.7	Very high	38 Å²	38	33.5 Å²	33.5	23%	0.233	17%	0.172	C	C	.	.			trans	-125.5	-34	179.3	59.3	0	0	0	0	113.7	E347 F394 Y415	E347-T417 HydrophobicContact CG-CG2 4.21Å; E347-T417 WeakPolarHBondContact OE1-CB 3.34Å; E347-T417 WeakPolarHBondContact OE1-CG2 3.4Å; E347-T417 PolarHBondContact OE1-OG1 2.86Å; F394-T417 HydrophobicContact CE1-CG2 4.4Å; Y415-T417 HydrophobicContact CD2-CG2 3.76Å; Y415-T417 HydrophobicContact CE2-CG2 3.59Å
418	K	80.9	Confident	90.5	Very high	107 Å²	107	30.9 Å²	30.9	47%	0.465	16%	0.156	S	C	.	.	S	Bend	trans	-75.4	144.2	177.6	-57.8	-178	-166.7	168.7	0	110.4	E349 N420	E349-K418 IonicContact OE1-NZ 3.68Å; E349-K418 PolarHBondContact OE1-NZ 3.21Å; E349-K418 WeakPolarHBondContact OE2-CD 3.25Å; E349-K418 WeakPolarHBondContact OE2-CE 3.49Å; E349-K418 IonicContact OE2-NZ 3.71Å; E349-K418 PolarHBondContact OE2-NZ 2.89Å; K418-N420 PolarHBondContact O-N 2.88Å
419	D	77	Confident	90.1	Very high	138 Å²	138	35.9 Å²	35.9	74%	0.738	18%	0.179	S	C	*	.	S	Bend	trans	61	-47.3	-176.9	-47.6	-40.8	0	0	0	115.2
420	N	83.1	Confident	89.6	Confident	72 Å²	72	37.4 Å²	37.4	39%	0.385	20%	0.195	S	C	.	.	S	Bend	trans	-146.4	142.5	172.1	-64.3	-103.2	0	0	0	110.8	I380 K418 A422	I380-N420 HydrophobicContact CG2-CB 3.65Å; K418-N420 PolarHBondContact O-N 2.88Å; N420-A422 PolarHBondContact O-N 3.05Å
421	L	88.4	Confident	89.5	Confident	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.199	C	C	.	.			trans	-66.9	119.6	166	-65.4	-173.7	0	0	0	109.7	L381 P386 L391 F394 W500	L381-L421 HydrophobicContact CB-CB 4.39Å; L381-L421 WeakPolarHBondContact CB-O 3.46Å; L381-L421 HydrophobicContact CD1-CB 4.35Å; L381-L421 PolarHBondContact N-O 2.81Å; P386-L421 HydrophobicContact CB-CD1 3.73Å; P386-L421 HydrophobicContact CG-CD1 3.94Å; P386-L421 HydrophobicContact CG-CG 4.21Å; L391-L421 HydrophobicContact CD1-CD2 3.94Å; F394-L421 HydrophobicContact CD1-CD2 4.19Å; F394-L421 HydrophobicContact CE1-CD2 4.03Å; F394-L421 HydrophobicContact CE2-CB 4.35Å; F394-L421 HydrophobicContact CG-CD1 4.35Å; F394-L421 HydrophobicContact CZ-CB 4.36Å; F394-L421 HydrophobicContact CZ-CD2 4.43Å; L421-W500 HydrophobicContact CD1-CH2 3.85Å; L421-W500 HydrophobicContact CD1-CZ2 4.29Å
422	A	90.5	Very high	89.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.7	177.1	0	0	0	0	0	113.3	V378 K379 I380 Y415 M416 N420	V378-A422 HydrophobicContact CG1-CB 4.17Å; K379-A422 VanDerWaalsContact O-CA 3.27Å; K379-A422 WeakPolarHBondContact O-CA 3.46Å; I380-A422 HydrophobicContact CB-CB 4.5Å; I380-A422 HydrophobicContact CG1-CB 4.09Å; Y415-A422 CarbonylContact C-O 3.59Å; Y415-A422 VanDerWaalsContact CA-O 3.27Å; Y415-A422 WeakPolarHBondContact CA-O 3.26Å; Y415-A422 WeakPolarHBondContact CB-O 3.34Å; M416-A422 HydrophobicContact CB-CB 4.05Å; M416-A422 HydrophobicContact CG-CB 4.42Å; M416-A422 PolarHBondContact N-O 3.28Å; M416-A422 PolarHBondContact O-N 3.03Å; M416-A422 VanDerWaalsContact O-N 3.1Å; M416-A422 HydrophobicContact SD-CB 3.97Å; N420-A422 PolarHBondContact O-N 3.05Å
423	I	91	Very high	89.7	Confident	9 Å²	9	35.3 Å²	35.3	5%	0.046	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.4	172.6	-63.4	178.5	0	0	0	108.7	K379 F394 L401 F412 T425 L493	K379-I423 PolarHBondContact N-O 2.95Å; K379-I423 PolarHBondContact O-N 3.5Å; F394-I423 HydrophobicContact CE2-CD1 4.23Å; F394-I423 HydrophobicContact CE2-CG1 3.8Å; F394-I423 HydrophobicContact CZ-CG1 4.42Å; L401-I423 HydrophobicContact CD1-CD1 4.01Å; L401-I423 HydrophobicContact CD1-CG2 4.37Å; F412-I423 HydrophobicContact CD2-CG2 4.06Å; F412-I423 HydrophobicContact CE2-CG2 3.95Å; I423-T425 HydrophobicContact CG2-CG2 4.13Å; I423-L493 HydrophobicContact CD1-CD2 3.82Å
424	V	92.9	Very high	89.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.1	177.7	-172.6	0	0	0	0	109	I348 V376 V378 M413 G414 M416	I348-V424 HydrophobicContact CD1-CB 3.96Å; I348-V424 HydrophobicContact CD1-CG1 4.31Å; I348-V424 HydrophobicContact CD1-CG2 3.84Å; V376-V424 HydrophobicContact CB-CG1 3.86Å; V376-V424 HydrophobicContact CG1-CG1 4.14Å; V376-V424 HydrophobicContact CG2-CG1 4.02Å; V378-V424 HydrophobicContact CG1-CG2 4.41Å; M413-V424 HydrophobicContact CB-CG1 4.2Å; M413-V424 PolarHBondContact N-O 2.74Å; G414-V424 PolarHBondContact N-O 2.87Å; G414-V424 PolarHBondContact O-N 2.69Å; M416-V424 HydrophobicContact CG-CG2 4.49Å; M416-V424 HydrophobicContact SD-CG2 4.29Å
425	T	93.3	Very high	89.8	Confident	23 Å²	23	40.6 Å²	40.6	14%	0.141	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	164.4	176.6	53.4	0	0	0	0	110.9	A377 L410 L411 M413 I423 W427	A377-T425 PolarHBondContact N-O 2.83Å; A377-T425 PolarHBondContact O-N 3.4Å; L410-T425 HydrophobicContact CD2-CG2 4.1Å; L410-T425 HydrophobicContact CG-CG2 4.48Å; L411-T425 CarbonylContact O-C 3.56Å; L411-T425 VanDerWaalsContact O-CA 3.28Å; L411-T425 WeakPolarHBondContact O-CA 3.38Å; L411-T425 WeakPolarHBondContact O-CB 3.38Å; M413-T425 VanDerWaalsContact SD-C 3.59Å; I423-T425 HydrophobicContact CG2-CG2 4.13Å; T425-W427 PolarHBondContact O-N 3.09Å
426	Q	93.6	Very high	89.9	Confident	24 Å²	24	41.7 Å²	41.7	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	142.1	172	65.4	162.2	110.2	0	0	111	L410 L411 M413	L410-Q426 HydrophobicContact CD1-CG 3.59Å; L410-Q426 HydrophobicContact CG-CG 4.15Å; L411-Q426 HydrophobicContact CB-CB 4.16Å; L411-Q426 HydrophobicContact CB-CG 3.96Å; L411-Q426 PolarHBondContact O-N 2.88Å; M413-Q426 HydrophobicContact CE-CB 3.89Å; M413-Q426 HydrophobicContact SD-CB 4.47Å
427	W	93.2	Very high	90.1	Very high	49 Å²	49	41.7 Å²	41.7	19%	0.186	22%	0.215	C	C	.	.			trans	-66.3	162.7	162.3	-174.2	-107.8	0	0	0	110.5	I359 K369 D375 A377 T425 E429	I359-W427 HydrophobicContact CD1-CH2 3.78Å; I359-W427 HydrophobicContact CD1-CZ3 4.31Å; I359-W427 HydrophobicContact CG1-CH2 3.87Å; I359-W427 HydrophobicContact CG1-CZ3 3.96Å; I359-W427 HydrophobicContact CG2-CH2 4.5Å; K369-W427 HydrophobicContact CB-CE3 4Å; K369-W427 HydrophobicContact CB-CH2 3.99Å; K369-W427 HydrophobicContact CB-CZ3 3.64Å; K369-W427 HydrophobicContact CD-CD2 3.79Å; K369-W427 HydrophobicContact CD-CE3 4.02Å; K369-W427 HydrophobicContact CD-CG 4.42Å; K369-W427 HydrophobicContact CD-CH2 4Å; K369-W427 HydrophobicContact CD-CZ2 3.73Å; K369-W427 HydrophobicContact CD-CZ3 4.13Å; K369-W427 HydrophobicContact CG-CD2 3.95Å; K369-W427 HydrophobicContact CG-CE3 3.72Å; K369-W427 HydrophobicContact CG-CH2 4.2Å; K369-W427 HydrophobicContact CG-CZ2 4.39Å; K369-W427 HydrophobicContact CG-CZ3 3.86Å; K369-W427 VanDerWaalsContact NZ-NE1 3.2Å; D375-W427 HydrophobicContact CB-CB 4.06Å; D375-W427 HydrophobicContact CB-CG 4.32Å; D375-W427 WeakPolarHBondContact O-CB 3.34Å; D375-W427 PolarHBondContact O-N 3.24Å; A377-W427 HydrophobicContact CB-CE3 4.04Å; T425-W427 PolarHBondContact O-N 3.09Å; W427-E429 PolarHBondContact NE1-OE1 2.74Å; W427-E429 VanDerWaalsContact NE1-OE1 3.1Å; W427-E429 PolarHBondContact NE1-OE2 3.15Å
428	C	91.5	Very high	90.3	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.088	21%	0.212	C	C	.	.			trans	-141.2	113.4	173.4	-73.7	0	0	0	0	107.7	L410 G430	L410-C428 VanDerWaalsContact CD1-SG 3.54Å; C428-G430 VanDerWaalsContact C-N 3.26Å; C428-G430 PolarHBondContact O-N 3.21Å
429	E	87.1	Confident	90.9	Very high	109 Å²	109	41 Å²	41	51%	0.509	22%	0.216	S	C	.	.	S	Bend	trans	-72.2	-16.1	-176.4	-62.3	-62.4	168.6	0	0	114.5	K369 W427	K369-E429 IonicContact NZ-OE1 2.69Å; K369-E429 PolarHBondContact NZ-OE1 2.96Å; K369-E429 IonicContact NZ-OE2 3.41Å; W427-E429 PolarHBondContact NE1-OE1 2.74Å; W427-E429 VanDerWaalsContact NE1-OE1 3.1Å; W427-E429 PolarHBondContact NE1-OE2 3.15Å
430	G	84.7	Confident	91.7	Very high	34 Å²	34	38.6 Å²	38.6	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	-86.5	-165.8	170.8	0	0	0	0	0	112.8	C428 L480	C428-G430 VanDerWaalsContact C-N 3.26Å; C428-G430 PolarHBondContact O-N 3.21Å; G430-L480 VanDerWaalsContact CA-O 3.29Å; G430-L480 WeakPolarHBondContact CA-O 3.31Å
431	S	89.9	Confident	92.1	Very high	24 Å²	24	42.4 Å²	42.4	17%	0.168	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	173.4	-173.4	86.3	0	0	0	0	114.1	H436 L480	S431-H436 PolarHBondContact OG-CD2 3.46Å; S431-H436 PolarHBondContact OG-NE2 3.47Å; S431-L480 PolarHBondContact O-N 3.14Å
432	S	93.5	Very high	92.2	Very high	23 Å²	23	44.5 Å²	44.5	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	147.8	178.2	60.7	0	0	0	0	111.5	Y434 K435 H436 N476 I478	S432-Y434 PolarHBondContact O-N 3.22Å; S432-K435 WeakPolarHBondContact O-CB 3.19Å; S432-K435 PolarHBondContact O-N 3.2Å; S432-H436 PolarHBondContact O-CD2 3.02Å; S432-H436 PolarHBondContact O-N 2.83Å; S432-H436 VanDerWaalsContact O-N 3.08Å; S432-N476 WeakPolarHBondContact CB-O 3.43Å; S432-I478 CarbonylContact C-O 3.57Å; S432-I478 VanDerWaalsContact CA-O 3.29Å; S432-I478 WeakPolarHBondContact CA-O 3.35Å
433	L	96.2	Very high	92.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.7	-35.7	177.6	-178.8	62.9	0	0	0	110.9	K435 H436 I437 I452 S475 I478 L480 V541 L545	L433-K435 VanDerWaalsContact C-N 3.35Å; L433-K435 PolarHBondContact O-N 3.28Å; L433-H436 PolarHBondContact O-N 2.77Å; L433-I437 HydrophobicContact CD1-CD1 3.87Å; L433-I437 HydrophobicContact CD1-CG1 4.1Å; L433-I437 HydrophobicContact CD2-CD1 4.43Å; L433-I437 HydrophobicContact CG-CD1 3.82Å; L433-I437 HydrophobicContact CG-CG1 4.38Å; L433-I437 WeakPolarHBondContact O-CG1 3.43Å; L433-I437 PolarHBondContact O-N 3.05Å; L433-I452 HydrophobicContact CD1-CG2 4.11Å; L433-I452 HydrophobicContact CD2-CG2 4.18Å; L433-S475 PolarHBondContact N-O 2.84Å; L433-I478 HydrophobicContact CB-CB 4.14Å; L433-I478 HydrophobicContact CB-CG2 4.16Å; L433-I478 HydrophobicContact CD2-CB 4.48Å; L433-I478 HydrophobicContact CD2-CD1 4.24Å; L433-I478 HydrophobicContact CD2-CG2 4.2Å; L433-I478 PolarHBondContact N-O 3.18Å; L433-L480 HydrophobicContact CD1-CD1 3.96Å; L433-L480 HydrophobicContact CD1-CD2 4.5Å; L433-L480 HydrophobicContact CD1-CG 4.38Å; L433-V541 HydrophobicContact CD2-CG1 3.89Å; L433-L545 HydrophobicContact CD1-CD2 4.03Å; L433-L545 HydrophobicContact CD2-CD1 4.46Å; L433-L545 HydrophobicContact CD2-CD2 4.18Å; L433-L545 HydrophobicContact CD2-CG 4.34Å
434	Y	94.7	Very high	92.3	Very high	66 Å²	66	53.7 Å²	53.7	26%	0.259	28%	0.278	S	S	.	.	H	α-helix	trans	-56	-46.8	171.7	-174.9	-77.8	0	0	0	112.1	S432 I437 H438 V439 S475 N476 W515 L550	S432-Y434 PolarHBondContact O-N 3.22Å; Y434-I437 PolarHBondContact O-N 2.88Å; Y434-H438 AromaticContact CD2-CD2 3.64Å; Y434-H438 HydrophobicContact CE1-CB 4.19Å; Y434-H438 AromaticContact CE2-CD2 3.82Å; Y434-H438 AromaticContact CG-CD2 3.89Å; Y434-H438 PolarHBondContact O-CD2 2.68Å; Y434-H438 PolarHBondContact O-N 2.79Å; Y434-V439 HydrophobicContact CD1-CG2 4.28Å; Y434-V439 HydrophobicContact CE1-CG2 4.06Å; Y434-S475 WeakPolarHBondContact CD2-OG 3.22Å; Y434-S475 PolarHBondContact N-O 2.97Å; Y434-N476 WeakPolarHBondContact CB-ND2 3.42Å; Y434-N476 VanDerWaalsContact CD2-ND2 3.28Å; Y434-N476 WeakPolarHBondContact CD2-ND2 3.38Å; Y434-W515 HydrophobicContact CD2-CH2 4.28Å; Y434-W515 HydrophobicContact CD2-CZ2 4.48Å; Y434-W515 HydrophobicContact CE2-CH2 4.19Å; Y434-L550 HydrophobicContact CE2-CD1 4.1Å; Y434-L550 HydrophobicContact CE2-CD2 4.07Å
435	K	93.4	Very high	92.3	Very high	95 Å²	95	57.3 Å²	57.3	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-66.7	-39.4	-180	-172.3	-178.2	178.3	-173.2	0	110.8	S432 L433 V439 L440	S432-K435 WeakPolarHBondContact O-CB 3.19Å; S432-K435 PolarHBondContact O-N 3.2Å; L433-K435 VanDerWaalsContact C-N 3.35Å; L433-K435 PolarHBondContact O-N 3.28Å; K435-V439 HydrophobicContact CG-CB 4.05Å; K435-V439 HydrophobicContact CG-CG1 4.38Å; K435-V439 WeakPolarHBondContact O-CB 3.41Å; K435-V439 PolarHBondContact O-N 2.94Å; K435-L440 HydrophobicContact CD-CD1 4.29Å; K435-L440 HydrophobicContact CG-CD1 4.02Å; K435-L440 HydrophobicContact CG-CG 4.06Å; K435-L440 WeakPolarHBondContact O-CB 3.11Å; K435-L440 PolarHBondContact O-N 3.01Å
436	H	94.4	Very high	92.2	Very high	30 Å²	30	57.5 Å²	57.5	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-41.3	176.5	-79.3	-71.8	0	0	0	113.5	S431 S432 L433 E441 T442 Y444 L480	S431-H436 PolarHBondContact OG-CD2 3.46Å; S431-H436 PolarHBondContact OG-NE2 3.47Å; S432-H436 PolarHBondContact O-CD2 3.02Å; S432-H436 PolarHBondContact O-N 2.83Å; S432-H436 VanDerWaalsContact O-N 3.08Å; L433-H436 PolarHBondContact O-N 2.77Å; H436-E441 PolarHBondContact O-N 3.15Å; H436-T442 PolarHBondContact ND1-OG1 3.39Å; H436-T442 VanDerWaalsContact ND1-OG1 3.17Å; H436-T442 WeakPolarHBondContact O-CB 3.29Å; H436-T442 PolarHBondContact O-N 2.95Å; H436-T442 PolarHBondContact O-OG1 3.29Å; H436-Y444 HydrophobicContact CB-CE2 4.06Å; H436-Y444 PolarHBondContact ND1-OH 2.78Å; H436-L480 HydrophobicContact CB-CD1 4.39Å
437	I	94.6	Very high	92.1	Very high	17 Å²	17	60.6 Å²	60.6	9%	0.087	32%	0.317	C	S	.	.	H	α-helix	trans	-78.7	-56.3	-179.9	-58.6	172.6	0	0	0	111.4	L433 Y434 E441 E544 L545	L433-I437 HydrophobicContact CD1-CD1 3.87Å; L433-I437 HydrophobicContact CD1-CG1 4.1Å; L433-I437 HydrophobicContact CD2-CD1 4.43Å; L433-I437 HydrophobicContact CG-CD1 3.82Å; L433-I437 HydrophobicContact CG-CG1 4.38Å; L433-I437 WeakPolarHBondContact O-CG1 3.43Å; L433-I437 PolarHBondContact O-N 3.05Å; Y434-I437 PolarHBondContact O-N 2.88Å; I437-E441 WeakPolarHBondContact O-CA 3.2Å; I437-E544 HydrophobicContact CD1-CB 4.1Å; I437-L545 HydrophobicContact CD1-CD2 4.1Å; I437-L545 HydrophobicContact CD1-CG 4.38Å
438	H	92.9	Very high	92.2	Very high	40 Å²	40	61.7 Å²	61.7	19%	0.185	32%	0.324	C	S	.	.	H	α-helix	trans	-103.8	7.8	-163	-46.2	-72.7	0	0	0	115.2	Y434 E544	Y434-H438 AromaticContact CD2-CD2 3.64Å; Y434-H438 HydrophobicContact CE1-CB 4.19Å; Y434-H438 AromaticContact CE2-CD2 3.82Å; Y434-H438 AromaticContact CG-CD2 3.89Å; Y434-H438 PolarHBondContact O-CD2 2.68Å; Y434-H438 PolarHBondContact O-N 2.79Å; H438-E544 IonicContact CD2-OE2 3.66Å; H438-E544 IonicContact CE1-OE2 2.64Å; H438-E544 IonicContact NE2-OE2 2.7Å; H438-E544 PolarHBondContact NE2-OE2 3.43Å
439	V	93.3	Very high	92.4	Very high	91 Å²	91	61.7 Å²	61.7	55%	0.552	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.8	-37.3	-178.5	-173.2	0	0	0	0	112.5	Y434 K435	Y434-V439 HydrophobicContact CD1-CG2 4.28Å; Y434-V439 HydrophobicContact CE1-CG2 4.06Å; K435-V439 HydrophobicContact CG-CB 4.05Å; K435-V439 HydrophobicContact CG-CG1 4.38Å; K435-V439 WeakPolarHBondContact O-CB 3.41Å; K435-V439 PolarHBondContact O-N 2.94Å
440	L	92.6	Very high	92.7	Very high	87 Å²	87	56.5 Å²	56.5	46%	0.455	30%	0.299	S	S	.	.	S	Bend	trans	-103.5	-6	176.4	-61.7	174.3	0	0	0	113.2	K435 T442	K435-L440 HydrophobicContact CD-CD1 4.29Å; K435-L440 HydrophobicContact CG-CD1 4.02Å; K435-L440 HydrophobicContact CG-CG 4.06Å; K435-L440 WeakPolarHBondContact O-CB 3.11Å; K435-L440 PolarHBondContact O-N 3.01Å; L440-T442 PolarHBondContact O-N 3.29Å
441	E	91.9	Very high	93.3	Very high	152 Å²	152	56.5 Å²	56.5	71%	0.71	29%	0.29	S	S	*	.			trans	41.5	47.6	-178.1	-61.6	-174.9	-178.8	0	0	112.7	H436 I437 N443	H436-E441 PolarHBondContact O-N 3.15Å; I437-E441 WeakPolarHBondContact O-CA 3.2Å; E441-N443 PolarHBondContact O-N 2.82Å; E441-N443 VanDerWaalsContact O-N 3.13Å
442	T	91.4	Very high	93.6	Very high	49 Å²	49	55.5 Å²	55.5	30%	0.301	28%	0.283	S	S	.	.			trans	-67.6	113.4	-169.7	-56.1	0	0	0	0	110.3	H436 L440 Y444	H436-T442 PolarHBondContact ND1-OG1 3.39Å; H436-T442 VanDerWaalsContact ND1-OG1 3.17Å; H436-T442 WeakPolarHBondContact O-CB 3.29Å; H436-T442 PolarHBondContact O-N 2.95Å; H436-T442 PolarHBondContact O-OG1 3.29Å; L440-T442 PolarHBondContact O-N 3.29Å; T442-Y444 VanDerWaalsContact C-N 3.34Å; T442-Y444 HydrophobicContact CG2-CD1 4.36Å; T442-Y444 HydrophobicContact CG2-CD2 4.26Å; T442-Y444 HydrophobicContact CG2-CE1 3.84Å; T442-Y444 HydrophobicContact CG2-CE2 3.73Å; T442-Y444 VanDerWaalsContact CG2-CZ 3.48Å; T442-Y444 VanDerWaalsContact O-CD2 3.31Å; T442-Y444 WeakPolarHBondContact O-CD2 3.47Å; T442-Y444 PolarHBondContact O-N 3.14Å
443	N	89.6	Confident	93.8	Very high	164 Å²	164	54.4 Å²	54.4	88%	0.877	28%	0.275	S	S	*	.			trans	-69	81.4	-177.1	-79.7	-70.5	0	0	0	112.9	E441	E441-N443 PolarHBondContact O-N 2.82Å; E441-N443 VanDerWaalsContact O-N 3.13Å
444	Y	93.4	Very high	93.9	Very high	37 Å²	37	56.2 Å²	56.2	15%	0.145	28%	0.282	C	S	.	.			trans	-82.1	141.3	172.9	-65.8	-63.9	0	0	0	112.8	H436 T442 Q448 L449 L480 L484	H436-Y444 HydrophobicContact CB-CE2 4.06Å; H436-Y444 PolarHBondContact ND1-OH 2.78Å; T442-Y444 VanDerWaalsContact C-N 3.34Å; T442-Y444 HydrophobicContact CG2-CD1 4.36Å; T442-Y444 HydrophobicContact CG2-CD2 4.26Å; T442-Y444 HydrophobicContact CG2-CE1 3.84Å; T442-Y444 HydrophobicContact CG2-CE2 3.73Å; T442-Y444 VanDerWaalsContact CG2-CZ 3.48Å; T442-Y444 VanDerWaalsContact O-CD2 3.31Å; T442-Y444 WeakPolarHBondContact O-CD2 3.47Å; T442-Y444 PolarHBondContact O-N 3.14Å; Y444-Q448 HydrophobicContact CD1-CB 4.23Å; Y444-L449 HydrophobicContact CD2-CD2 4.11Å; Y444-L449 HydrophobicContact CG-CD2 4.31Å; Y444-L480 HydrophobicContact CE2-CD1 4.32Å; Y444-L480 VanDerWaalsContact OH-CD1 3.22Å; Y444-L480 WeakPolarHBondContact OH-CD1 3.4Å; Y444-L484 HydrophobicContact CD1-CD1 4.31Å; Y444-L484 HydrophobicContact CE1-CD1 3.94Å; Y444-L484 HydrophobicContact CE1-CD2 3.78Å
445	T	93.1	Very high	94.1	Very high	77 Å²	77	54.1 Å²	54.1	47%	0.472	28%	0.275	S	S	.	.			trans	-68.6	154.3	167.7	65.7	0	0	0	0	111.3	I447 Q448 L449	T445-I447 PolarHBondContact O-N 3.08Å; T445-I447 VanDerWaalsContact O-N 3.08Å; T445-Q448 PolarHBondContact O-N 2.92Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.4Å; T445-Q448 PolarHBondContact OG1-N 3.26Å; T445-Q448 PolarHBondContact OG1-OE1 2.94Å; T445-L449 WeakPolarHBondContact O-CG 3.26Å; T445-L449 PolarHBondContact O-N 3.22Å
446	M	91.7	Very high	94.3	Very high	27 Å²	27	49.6 Å²	49.6	13%	0.133	26%	0.255	C	S	.	.	H	α-helix	trans	-54.9	-28.8	174.7	-175.8	56.9	57.9	0	0	113	I450 M546 Y578 N580 C581	M446-I450 HydrophobicContact CG-CD1 3.91Å; M446-I450 WeakPolarHBondContact O-CB 3.45Å; M446-I450 WeakPolarHBondContact O-CD1 3.29Å; M446-I450 WeakPolarHBondContact O-CG1 3.37Å; M446-I450 PolarHBondContact O-N 3.14Å; M446-I450 VanDerWaalsContact O-N 3.12Å; M446-I450 HydrophobicContact SD-CD1 3.8Å; M446-I450 HydrophobicContact SD-CG1 4.15Å; M446-M546 HydrophobicContact CE-SD 4.28Å; M446-M546 HydrophobicContact SD-CE 4.11Å; M446-M546 HydrophobicContact SD-SD 3.89Å; M446-Y578 HydrophobicContact CE-CD2 3.99Å; M446-N580 WeakPolarHBondContact CE-OD1 3.4Å; M446-C581 HydrophobicContact CE-CB 4.05Å
447	I	91.4	Very high	94.5	Very high	89 Å²	89	48.1 Å²	48.1	46%	0.456	25%	0.248	S	C	.	.	H	α-helix	trans	-71.3	-44	176.2	-59.9	178.7	0	0	0	110.8	T445 I450 D451	T445-I447 PolarHBondContact O-N 3.08Å; T445-I447 VanDerWaalsContact O-N 3.08Å; I447-I450 PolarHBondContact O-N 3.19Å; I447-D451 PolarHBondContact O-N 2.96Å
448	Q	94	Very high	94.7	Very high	72 Å²	72	49.4 Å²	49.4	34%	0.336	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-44	175.8	-71.9	159.7	-57.9	0	0	111.7	Y444 T445 I450 D451 I452 L484	Y444-Q448 HydrophobicContact CD1-CB 4.23Å; T445-Q448 PolarHBondContact O-N 2.92Å; T445-Q448 WeakPolarHBondContact OG1-CG 3.4Å; T445-Q448 PolarHBondContact OG1-N 3.26Å; T445-Q448 PolarHBondContact OG1-OE1 2.94Å; Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.15Å; Q448-D451 PolarHBondContact O-N 2.83Å; Q448-D451 VanDerWaalsContact O-N 3.15Å; Q448-I452 WeakPolarHBondContact O-CG1 3.46Å; Q448-I452 PolarHBondContact O-N 3.15Å; Q448-L484 HydrophobicContact CG-CD1 4.19Å
449	L	95.6	Very high	94.9	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-40.8	176.4	-67.6	167.1	0	0	0	112	Y444 T445 A453 L545 M546 Y578	Y444-L449 HydrophobicContact CD2-CD2 4.11Å; Y444-L449 HydrophobicContact CG-CD2 4.31Å; T445-L449 WeakPolarHBondContact O-CG 3.26Å; T445-L449 PolarHBondContact O-N 3.22Å; L449-A453 WeakPolarHBondContact O-CB 3.33Å; L449-A453 PolarHBondContact O-N 3.08Å; L449-L545 HydrophobicContact CD2-CD2 3.66Å; L449-M546 HydrophobicContact CB-CE 3.76Å; L449-Y578 HydrophobicContact CD1-CE2 4.29Å
450	I	95.2	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72.2	-31.8	177	-71.7	172.5	0	0	0	111.9	M446 I447 Q448 R454 M546 P582 M585 I610 L613 L617	M446-I450 HydrophobicContact CG-CD1 3.91Å; M446-I450 WeakPolarHBondContact O-CB 3.45Å; M446-I450 WeakPolarHBondContact O-CD1 3.29Å; M446-I450 WeakPolarHBondContact O-CG1 3.37Å; M446-I450 PolarHBondContact O-N 3.14Å; M446-I450 VanDerWaalsContact O-N 3.12Å; M446-I450 HydrophobicContact SD-CD1 3.8Å; M446-I450 HydrophobicContact SD-CG1 4.15Å; I447-I450 PolarHBondContact O-N 3.19Å; Q448-I450 VanDerWaalsContact C-N 3.3Å; Q448-I450 PolarHBondContact O-N 3.15Å; I450-R454 WeakPolarHBondContact O-CB 3.33Å; I450-R454 PolarHBondContact O-N 3.32Å; I450-M546 HydrophobicContact CG1-CE 4.2Å; I450-P582 HydrophobicContact CD1-CG 4.06Å; I450-M585 HydrophobicContact CG1-CE 3.96Å; I450-I610 HydrophobicContact CG2-CG2 4.11Å; I450-L613 HydrophobicContact CD1-CD2 4.06Å; I450-L617 HydrophobicContact CD1-CD1 3.76Å
451	D	95.6	Very high	95.3	Very high	34 Å²	34	41 Å²	41	18%	0.182	21%	0.208	C	C	.	.	H	α-helix	trans	-74	-40	174.2	-157.2	78	0	0	0	112.7	I447 Q448 A453 R454 Q455 Q614	I447-D451 PolarHBondContact O-N 2.96Å; Q448-D451 PolarHBondContact O-N 2.83Å; Q448-D451 VanDerWaalsContact O-N 3.15Å; D451-A453 VanDerWaalsContact C-N 3.29Å; D451-A453 PolarHBondContact O-N 3.48Å; D451-R454 WeakPolarHBondContact O-CB 3.28Å; D451-R454 PolarHBondContact O-N 3.43Å; D451-R454 VanDerWaalsContact O-N 3.09Å; D451-R454 IonicContact OD1-CZ 3.08Å; D451-R454 VanDerWaalsContact OD1-CZ 3.23Å; D451-R454 IonicContact OD1-NE 3.29Å; D451-R454 PolarHBondContact OD1-NE 3.02Å; D451-R454 IonicContact OD1-NH2 2.69Å; D451-R454 PolarHBondContact OD1-NH2 3.14Å; D451-R454 IonicContact OD2-CZ 3.93Å; D451-R454 IonicContact OD2-NE 3.85Å; D451-R454 IonicContact OD2-NH2 2.87Å; D451-R454 PolarHBondContact OD2-NH2 3.41Å; D451-Q455 WeakPolarHBondContact O-CG 3.41Å; D451-Q455 PolarHBondContact O-N 3.45Å; D451-Q455 PolarHBondContact OD2-NE2 3.27Å; D451-Q614 PolarHBondContact OD1-NE2 3.23Å
452	I	97.4	Very high	95.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-57.1	-45.3	170.2	-69.2	165.7	0	0	0	109.8	L433 Q448 R454 T456 L480 V486 L545	L433-I452 HydrophobicContact CD1-CG2 4.11Å; L433-I452 HydrophobicContact CD2-CG2 4.18Å; Q448-I452 WeakPolarHBondContact O-CG1 3.46Å; Q448-I452 PolarHBondContact O-N 3.15Å; I452-R454 PolarHBondContact O-N 3.14Å; I452-T456 VanDerWaalsContact O-CB 3.27Å; I452-T456 WeakPolarHBondContact O-CB 3.3Å; I452-T456 PolarHBondContact O-N 2.97Å; I452-T456 PolarHBondContact O-OG1 3.39Å; I452-L480 HydrophobicContact CD1-CD1 4.02Å; I452-L480 HydrophobicContact CD1-CD2 4.18Å; I452-L480 HydrophobicContact CG1-CD2 4.09Å; I452-L480 HydrophobicContact CG2-CD2 4.15Å; I452-V486 HydrophobicContact CB-CG2 4.36Å; I452-V486 HydrophobicContact CG1-CG2 4.47Å; I452-V486 HydrophobicContact CG2-CG2 4.02Å; I452-L545 HydrophobicContact CB-CD2 4.49Å; I452-L545 HydrophobicContact CG2-CD1 4.3Å; I452-L545 HydrophobicContact CG2-CD2 4.01Å
453	A	98.1	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-43.1	173.7	0	0	0	0	0	112.8	L449 D451 A457 Y538 L542 L545 M585	L449-A453 WeakPolarHBondContact O-CB 3.33Å; L449-A453 PolarHBondContact O-N 3.08Å; D451-A453 VanDerWaalsContact C-N 3.29Å; D451-A453 PolarHBondContact O-N 3.48Å; A453-A457 PolarHBondContact O-N 2.79Å; A453-Y538 PolarHBondContact O-OH 2.68Å; A453-L542 HydrophobicContact CB-CD2 3.61Å; A453-L545 HydrophobicContact CB-CD1 4.09Å; A453-M585 HydrophobicContact CB-CE 4.23Å
454	R	97.8	Very high	95.9	Very high	39 Å²	39	26.7 Å²	26.7	15%	0.147	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-52.1	178	-174.2	-168.9	60.9	68.9	7.7	112	I450 D451 I452 T456 A457 Q458 L607 I610 E611 Q614	I450-R454 WeakPolarHBondContact O-CB 3.33Å; I450-R454 PolarHBondContact O-N 3.32Å; D451-R454 WeakPolarHBondContact O-CB 3.28Å; D451-R454 PolarHBondContact O-N 3.43Å; D451-R454 VanDerWaalsContact O-N 3.09Å; D451-R454 IonicContact OD1-CZ 3.08Å; D451-R454 VanDerWaalsContact OD1-CZ 3.23Å; D451-R454 IonicContact OD1-NE 3.29Å; D451-R454 PolarHBondContact OD1-NE 3.02Å; D451-R454 IonicContact OD1-NH2 2.69Å; D451-R454 PolarHBondContact OD1-NH2 3.14Å; D451-R454 IonicContact OD2-CZ 3.93Å; D451-R454 IonicContact OD2-NE 3.85Å; D451-R454 IonicContact OD2-NH2 2.87Å; D451-R454 PolarHBondContact OD2-NH2 3.41Å; I452-R454 PolarHBondContact O-N 3.14Å; R454-T456 VanDerWaalsContact C-N 3.29Å; R454-T456 PolarHBondContact O-N 3.12Å; R454-A457 WeakPolarHBondContact O-CB 3.35Å; R454-A457 PolarHBondContact O-N 3.45Å; R454-A457 VanDerWaalsContact O-N 3.13Å; R454-Q458 VanDerWaalsContact NH1-NE2 3.13Å; R454-Q458 WeakPolarHBondContact O-CG 3.49Å; R454-Q458 PolarHBondContact O-N 2.65Å; R454-L607 HydrophobicContact CG-CD1 3.93Å; R454-I610 HydrophobicContact CB-CG2 3.72Å; R454-I610 HydrophobicContact CG-CG2 4.16Å; R454-E611 HydrophobicContact CG-CG 4.48Å; R454-Q614 VanDerWaalsContact CD-OE1 3.24Å
455	Q	98.2	Very high	95.9	Very high	21 Å²	21	29 Å²	29	10%	0.098	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-39.2	178.4	-71.1	-173.9	55.4	0	0	111.7	N408 D451 Q458 G459 L484 V486	N408-Q455 WeakPolarHBondContact CB-O 3.25Å; N408-Q455 PolarHBondContact ND2-OE1 3.02Å; N408-Q455 PolarHBondContact OD1-O 3.28Å; D451-Q455 WeakPolarHBondContact O-CG 3.41Å; D451-Q455 PolarHBondContact O-N 3.45Å; D451-Q455 PolarHBondContact OD2-NE2 3.27Å; Q455-Q458 PolarHBondContact O-N 3.1Å; Q455-G459 PolarHBondContact O-N 3.13Å; Q455-L484 PolarHBondContact NE2-O 2.92Å; Q455-V486 HydrophobicContact CB-CB 3.75Å; Q455-V486 HydrophobicContact CB-CG2 3.68Å; Q455-V486 HydrophobicContact CG-CG2 4.49Å
456	T	98.4	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-43.1	173.7	-56.2	0	0	0	0	111.1	I452 R454 Q458 G459 M460 M473 I478 I488 Y538	I452-T456 VanDerWaalsContact O-CB 3.27Å; I452-T456 WeakPolarHBondContact O-CB 3.3Å; I452-T456 PolarHBondContact O-N 2.97Å; I452-T456 PolarHBondContact O-OG1 3.39Å; R454-T456 VanDerWaalsContact C-N 3.29Å; R454-T456 PolarHBondContact O-N 3.12Å; T456-Q458 PolarHBondContact O-N 3.01Å; T456-G459 PolarHBondContact O-N 2.92Å; T456-M460 WeakPolarHBondContact O-CG 3.49Å; T456-M460 PolarHBondContact O-N 2.96Å; T456-M460 VanDerWaalsContact O-N 3.1Å; T456-M473 HydrophobicContact CG2-CE 3.29Å; T456-I478 HydrophobicContact CG2-CD1 3.84Å; T456-I488 HydrophobicContact CG2-CD1 4.2Å; T456-Y538 HydrophobicContact CG2-CD2 3.77Å; T456-Y538 HydrophobicContact CG2-CE2 3.64Å
457	A	98.4	Very high	95.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-38.5	174.3	0	0	0	0	0	112.4	A453 R454 M460 D461 F603 I606 L607 I610	A453-A457 PolarHBondContact O-N 2.79Å; R454-A457 WeakPolarHBondContact O-CB 3.35Å; R454-A457 PolarHBondContact O-N 3.45Å; R454-A457 VanDerWaalsContact O-N 3.13Å; A457-M460 PolarHBondContact O-N 2.69Å; A457-D461 WeakPolarHBondContact O-CB 3.48Å; A457-D461 PolarHBondContact O-N 2.84Å; A457-F603 HydrophobicContact CB-CD1 4.12Å; A457-F603 HydrophobicContact CB-CE1 4.49Å; A457-I606 HydrophobicContact CB-CG2 4.19Å; A457-L607 HydrophobicContact CB-CB 4.49Å; A457-L607 HydrophobicContact CB-CD1 4.42Å; A457-I610 HydrophobicContact CB-CD1 4.19Å
458	Q	98.1	Very high	95.5	Very high	43 Å²	43	32.1 Å²	32.1	20%	0.201	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-41.8	175.9	-71.8	-178.1	-32.9	0	0	112.5	R454 Q455 T456 Y462 L607	R454-Q458 VanDerWaalsContact NH1-NE2 3.13Å; R454-Q458 WeakPolarHBondContact O-CG 3.49Å; R454-Q458 PolarHBondContact O-N 2.65Å; Q455-Q458 PolarHBondContact O-N 3.1Å; T456-Q458 PolarHBondContact O-N 3.01Å; Q458-Y462 PolarHBondContact O-N 3.24Å; Q458-Y462 VanDerWaalsContact O-N 3.12Å; Q458-L607 HydrophobicContact CG-CD1 3.56Å; Q458-L607 HydrophobicContact CG-CD2 3.75Å; Q458-L607 HydrophobicContact CG-CG 4.32Å
459	G	97.3	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-46.1	173.4	0	0	0	0	0	112.5	Q455 T456 Y462 L463	Q455-G459 PolarHBondContact O-N 3.13Å; T456-G459 PolarHBondContact O-N 2.92Å; G459-Y462 WeakPolarHBondContact O-CB 3.22Å; G459-Y462 PolarHBondContact O-N 3.08Å; G459-L463 PolarHBondContact O-N 3.14Å; G459-L463 VanDerWaalsContact O-N 3.16Å
460	M	97.8	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-68.4	-38.1	178.7	-70.1	-57.3	-56.4	0	0	113.4	T456 A457 Y462 L463 H464 H470 M473 I488 D534 F603	T456-M460 WeakPolarHBondContact O-CG 3.49Å; T456-M460 PolarHBondContact O-N 2.96Å; T456-M460 VanDerWaalsContact O-N 3.1Å; A457-M460 PolarHBondContact O-N 2.69Å; M460-Y462 VanDerWaalsContact C-N 3.32Å; M460-Y462 PolarHBondContact O-N 3.11Å; M460-L463 PolarHBondContact O-N 3.43Å; M460-L463 HydrophobicContact SD-CD1 4.12Å; M460-H464 PolarHBondContact O-N 2.97Å; M460-H470 HydrophobicContact CE-CB 3.9Å; M460-H470 HydrophobicContact SD-CB 4.32Å; M460-M473 HydrophobicContact CG-CE 3.78Å; M460-M473 HydrophobicContact SD-CE 3.93Å; M460-M473 HydrophobicContact SD-CG 4.39Å; M460-M473 HydrophobicContact SD-SD 3.95Å; M460-I488 HydrophobicContact CG-CD1 3.83Å; M460-I488 HydrophobicContact SD-CD1 3.95Å; M460-D534 HydrophobicContact CE-CB 3.81Å; M460-D534 WeakPolarHBondContact CE-OD2 3.44Å; M460-F603 HydrophobicContact CB-CD1 3.62Å; M460-F603 HydrophobicContact CB-CD2 3.86Å; M460-F603 HydrophobicContact CB-CE1 3.42Å; M460-F603 VanDerWaalsContact CB-CE1 3.42Å; M460-F603 HydrophobicContact CB-CE2 3.66Å; M460-F603 HydrophobicContact CB-CG 3.84Å; M460-F603 HydrophobicContact CB-CZ 3.44Å; M460-F603 VanDerWaalsContact CB-CZ 3.44Å; M460-F603 HydrophobicContact CE-CE2 4.04Å; M460-F603 HydrophobicContact CE-CZ 4.24Å; M460-F603 HydrophobicContact CG-CE1 3.9Å; M460-F603 HydrophobicContact CG-CE2 4.25Å; M460-F603 HydrophobicContact CG-CZ 3.72Å
461	D	97.6	Very high	94.6	Very high	42 Å²	42	33.4 Å²	33.4	23%	0.225	17%	0.171	C	C	.	.	H	α-helix	trans	-60.2	-43.5	175.1	-161.9	50.4	0	0	0	111.2	A457 L463 H464 A465 F603 P604	A457-D461 WeakPolarHBondContact O-CB 3.48Å; A457-D461 PolarHBondContact O-N 2.84Å; D461-L463 PolarHBondContact O-N 2.8Å; D461-H464 PolarHBondContact O-N 2.92Å; D461-A465 VanDerWaalsContact O-CB 3.25Å; D461-A465 WeakPolarHBondContact O-CB 3.43Å; D461-A465 PolarHBondContact O-N 3.2Å; D461-F603 HydrophobicContact CB-CB 3.84Å; D461-F603 WeakPolarHBondContact OD1-CB 3.46Å; D461-P604 WeakPolarHBondContact OD1-CD 3.42Å; D461-P604 WeakPolarHBondContact OD1-CG 3.36Å; D461-P604 VanDerWaalsContact OD1-N 3.14Å
462	Y	96.4	Very high	94.1	Very high	45 Å²	45	32.7 Å²	32.7	18%	0.176	17%	0.167	C	C	.	.	H	α-helix	trans	-58.9	-44.4	173.5	176.5	-86.3	0	0	0	112.6	K403 T404 R405 H406 I409 Q458 G459 M460 K466	K403-Y462 PolarHBondContact O-OH 3.11Å; T404-Y462 HydrophobicContact CG2-CE1 4.2Å; R405-Y462 PolarHBondContact N-OH 2.69Å; R405-Y462 PolarHBondContact O-OH 3.29Å; H406-Y462 HydrophobicContact CB-CD1 3.81Å; H406-Y462 HydrophobicContact CB-CD2 3.74Å; H406-Y462 HydrophobicContact CB-CE1 3.99Å; H406-Y462 HydrophobicContact CB-CE2 3.88Å; H406-Y462 HydrophobicContact CB-CG 3.69Å; H406-Y462 AromaticContact CD2-CD2 3.88Å; H406-Y462 AromaticContact CG-CD2 3.88Å; H406-Y462 AromaticContact CG-CG 3.8Å; I409-Y462 HydrophobicContact CG1-CD1 4.13Å; Q458-Y462 PolarHBondContact O-N 3.24Å; Q458-Y462 VanDerWaalsContact O-N 3.12Å; G459-Y462 WeakPolarHBondContact O-CB 3.22Å; G459-Y462 PolarHBondContact O-N 3.08Å; M460-Y462 VanDerWaalsContact C-N 3.32Å; M460-Y462 PolarHBondContact O-N 3.11Å; Y462-K466 HydrophobicContact CD1-CG 4.44Å; Y462-K466 HydrophobicContact CE1-CG 4.02Å; Y462-K466 VanDerWaalsContact O-CG 3.3Å; Y462-K466 WeakPolarHBondContact O-CG 3.17Å; Y462-K466 PolarHBondContact O-N 2.93Å; Y462-K466 VanDerWaalsContact O-N 3.11Å; Y462-K466 WeakPolarHBondContact OH-CE 3.35Å
463	L	94	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-45.1	177.4	-69.2	176.4	0	0	0	111.5	T404 I409 G459 M460 D461 K466 N467 I468 F491	T404-L463 HydrophobicContact CG2-CD2 3.92Å; I409-L463 HydrophobicContact CD1-CD1 3.86Å; I409-L463 HydrophobicContact CD1-CD2 4.13Å; I409-L463 HydrophobicContact CD1-CG 3.81Å; G459-L463 PolarHBondContact O-N 3.14Å; G459-L463 VanDerWaalsContact O-N 3.16Å; M460-L463 PolarHBondContact O-N 3.43Å; M460-L463 HydrophobicContact SD-CD1 4.12Å; D461-L463 PolarHBondContact O-N 2.8Å; L463-K466 CarbonylContact O-C 3.5Å; L463-K466 WeakPolarHBondContact O-CA 3.47Å; L463-K466 WeakPolarHBondContact O-CB 3.38Å; L463-K466 PolarHBondContact O-N 2.85Å; L463-K466 VanDerWaalsContact O-N 3.08Å; L463-N467 PolarHBondContact O-N 2.73Å; L463-I468 CarbonylContact C-O 3.54Å; L463-I468 HydrophobicContact CB-CB 4.22Å; L463-I468 HydrophobicContact CD2-CB 4.33Å; L463-I468 HydrophobicContact CD2-CD1 3.97Å; L463-I468 HydrophobicContact CD2-CG2 4.25Å; L463-I468 WeakPolarHBondContact O-CB 3.43Å; L463-I468 PolarHBondContact O-N 2.97Å; L463-F491 HydrophobicContact CD1-CB 4.21Å; L463-F491 HydrophobicContact CD1-CD2 4.32Å; L463-F491 HydrophobicContact CD1-CG 4.09Å; L463-F491 HydrophobicContact CD2-CD2 3.81Å; L463-F491 HydrophobicContact CD2-CE2 3.84Å; L463-F491 HydrophobicContact CD2-CG 4.36Å; L463-F491 HydrophobicContact CD2-CZ 4.44Å
464	H	94.3	Very high	93.7	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.093	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-36.9	-179.4	-72.7	-160.3	0	0	0	111.7	M460 D461 K466 N467 I468 F531 D534 F603	M460-H464 PolarHBondContact O-N 2.97Å; D461-H464 PolarHBondContact O-N 2.92Å; H464-K466 PolarHBondContact O-N 3.08Å; H464-N467 WeakPolarHBondContact O-CA 3.46Å; H464-N467 PolarHBondContact O-N 2.85Å; H464-I468 PolarHBondContact CD2-O 3.48Å; H464-I468 VanDerWaalsContact CD2-O 3.22Å; H464-F531 HydrophobicContact CB-CD1 4Å; H464-F531 HydrophobicContact CB-CE1 4.05Å; H464-F531 HydrophobicContact CB-CG 4.48Å; H464-F531 AromaticContact CD2-CD1 3.62Å; H464-F531 VanDerWaalsContact CE1-CA 3.42Å; H464-F531 WeakPolarHBondContact CE1-CA 3.37Å; H464-F531 AromaticContact CE1-CD1 3.62Å; H464-F531 AromaticContact CE1-CG 3.91Å; H464-F531 PolarHBondContact CE1-O 3.14Å; H464-F531 AromaticContact CG-CD1 3.43Å; H464-F531 VanDerWaalsContact CG-CD1 3.43Å; H464-F531 AromaticContact CG-CE1 3.9Å; H464-F531 AromaticContact CG-CG 3.99Å; H464-F531 WeakPolarHBondContact ND1-CB 3.44Å; H464-F531 AromaticContact ND1-CD1 3.42Å; H464-F531 WeakPolarHBondContact ND1-CD1 3.32Å; H464-F531 AromaticContact ND1-CG 3.56Å; H464-F531 AromaticContact NE2-CD1 3.72Å; H464-D534 IonicContact CD2-OD2 3.64Å; H464-D534 IonicContact CE1-OD2 2.68Å; H464-D534 IonicContact NE2-OD2 3.2Å; H464-D534 PolarHBondContact NE2-OD2 3.33Å; H464-F603 AromaticContact CE1-CD2 3.52Å; H464-F603 AromaticContact CE1-CE2 3.51Å; H464-F603 AromaticContact ND1-CD2 3.43Å; H464-F603 WeakPolarHBondContact ND1-CD2 3.37Å; H464-F603 AromaticContact ND1-CE2 3.94Å
465	A	93.4	Very high	93.5	Very high	86 Å²	86	31.7 Å²	31.7	71%	0.711	16%	0.163	S	C	*	.	H	α-helix	trans	-64.6	-23.8	170.9	0	0	0	0	0	113.4	D461 N467	D461-A465 VanDerWaalsContact O-CB 3.25Å; D461-A465 WeakPolarHBondContact O-CB 3.43Å; D461-A465 PolarHBondContact O-N 3.2Å; A465-N467 VanDerWaalsContact C-N 3.31Å
466	K	89.9	Confident	93.2	Very high	112 Å²	112	33.1 Å²	33.1	49%	0.487	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	4.6	169.1	-67.7	-71.6	-176.3	175.2	0	113.5	Y462 L463 H464 I468	Y462-K466 HydrophobicContact CD1-CG 4.44Å; Y462-K466 HydrophobicContact CE1-CG 4.02Å; Y462-K466 VanDerWaalsContact O-CG 3.3Å; Y462-K466 WeakPolarHBondContact O-CG 3.17Å; Y462-K466 PolarHBondContact O-N 2.93Å; Y462-K466 VanDerWaalsContact O-N 3.11Å; Y462-K466 WeakPolarHBondContact OH-CE 3.35Å; L463-K466 CarbonylContact O-C 3.5Å; L463-K466 WeakPolarHBondContact O-CA 3.47Å; L463-K466 WeakPolarHBondContact O-CB 3.38Å; L463-K466 PolarHBondContact O-N 2.85Å; L463-K466 VanDerWaalsContact O-N 3.08Å; H464-K466 PolarHBondContact O-N 3.08Å; K466-I468 VanDerWaalsContact C-N 3.3Å; K466-I468 HydrophobicContact CB-CD1 3.75Å; K466-I468 HydrophobicContact CB-CG1 3.93Å; K466-I468 PolarHBondContact O-N 3.34Å
467	N	89.4	Confident	93	Very high	130 Å²	130	33.7 Å²	33.7	70%	0.695	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	37.9	-173.7	-162.1	80.8	0	0	0	113.4	L463 H464 A465	L463-N467 PolarHBondContact O-N 2.73Å; H464-N467 WeakPolarHBondContact O-CA 3.46Å; H464-N467 PolarHBondContact O-N 2.85Å; A465-N467 VanDerWaalsContact C-N 3.31Å
468	I	88.2	Confident	92.9	Very high	16 Å²	16	33.7 Å²	33.7	8%	0.082	18%	0.175	C	C	.	.			trans	-106.2	128.9	176.4	-54.7	170.9	0	0	0	108.4	V400 T404 L463 H464 K466 F491	V400-I468 HydrophobicContact CG1-CD1 3.61Å; V400-I468 HydrophobicContact CG1-CG1 3.77Å; V400-I468 HydrophobicContact CG1-CG2 4.02Å; T404-I468 HydrophobicContact CG2-CD1 3.56Å; L463-I468 CarbonylContact C-O 3.54Å; L463-I468 HydrophobicContact CB-CB 4.22Å; L463-I468 HydrophobicContact CD2-CB 4.33Å; L463-I468 HydrophobicContact CD2-CD1 3.97Å; L463-I468 HydrophobicContact CD2-CG2 4.25Å; L463-I468 WeakPolarHBondContact O-CB 3.43Å; L463-I468 PolarHBondContact O-N 2.97Å; H464-I468 PolarHBondContact CD2-O 3.48Å; H464-I468 VanDerWaalsContact CD2-O 3.22Å; K466-I468 VanDerWaalsContact C-N 3.3Å; K466-I468 HydrophobicContact CB-CD1 3.75Å; K466-I468 HydrophobicContact CB-CG1 3.93Å; K466-I468 PolarHBondContact O-N 3.34Å; I468-F491 HydrophobicContact CG2-CD2 4.42Å
469	I	89	Confident	92.7	Very high	40 Å²	40	34.4 Å²	34.4	21%	0.205	18%	0.177	C	C	.	.			trans	-103	129.7	171.4	-54.4	165.3	0	0	0	107.2	R471 F531 D534	I469-R471 HydrophobicContact CB-CG 4.18Å; I469-R471 HydrophobicContact CG2-CG 3.67Å; I469-F531 HydrophobicContact CG1-CD1 3.83Å; I469-F531 HydrophobicContact CG1-CE1 3.83Å; I469-D534 WeakPolarHBondContact CA-OD2 3.39Å; I469-D534 WeakPolarHBondContact CG2-OD1 3.22Å; I469-D534 WeakPolarHBondContact CG2-OD2 3.47Å
470	H	90.6	Very high	92.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.			trans	-74.9	-40.6	-177	-174.9	-16.4	0	0	0	112.3	M460 D472 M473 I488 G489 F491 D534	M460-H470 HydrophobicContact CE-CB 3.9Å; M460-H470 HydrophobicContact SD-CB 4.32Å; H470-D472 PolarHBondContact CE1-O 3.4Å; H470-D472 PolarHBondContact O-N 3.38Å; H470-M473 HydrophobicContact CB-CB 4.44Å; H470-I488 WeakPolarHBondContact NE2-CG2 3.44Å; H470-G489 PolarHBondContact CE1-O 3.3Å; H470-G489 PolarHBondContact NE2-O 3.43Å; H470-F491 HydrophobicContact CB-CB 4.21Å; H470-F491 PolarHBondContact CE1-N 3.01Å; H470-F491 WeakPolarHBondContact ND1-CA 3.28Å; H470-D534 PolarHBondContact N-OD1 2.93Å; H470-D534 PolarHBondContact N-OD2 3.5Å
471	R	87.5	Confident	92.2	Very high	72 Å²	72	36.5 Å²	36.5	27%	0.272	19%	0.187	S	C	.	.	S	Bend	trans	62.9	-13.5	176.7	-48.3	-175.3	-172.3	-142.6	-0.9	117.5	I469 A494 Y529 D534	I469-R471 HydrophobicContact CB-CG 4.18Å; I469-R471 HydrophobicContact CG2-CG 3.67Å; R471-A494 HydrophobicContact CB-CB 3.46Å; R471-A494 VanDerWaalsContact CB-CB 3.46Å; R471-A494 HydrophobicContact CG-CB 4.09Å; R471-Y529 HydrophobicContact CB-CD1 3.5Å; R471-Y529 HydrophobicContact CB-CE1 3.74Å; R471-Y529 HydrophobicContact CB-CG 4.29Å; R471-Y529 HydrophobicContact CG-CD1 3.62Å; R471-Y529 HydrophobicContact CG-CE1 4.31Å; R471-Y529 HydrophobicContact CG-CG 3.94Å; R471-D534 PolarHBondContact N-OD1 3.12Å
472	D	85.4	Confident	91.6	Very high	18 Å²	18	40.4 Å²	40.4	10%	0.096	20%	0.204	C	C	.	.	S	Bend	trans	-134.2	40.5	177.2	-170.2	45.4	0	0	0	110.6	H470 K474 N477 K497	H470-D472 PolarHBondContact CE1-O 3.4Å; H470-D472 PolarHBondContact O-N 3.38Å; D472-K474 PolarHBondContact O-N 3.07Å; D472-K474 IonicContact OD1-NZ 3.34Å; D472-K474 PolarHBondContact OD1-NZ 2.98Å; D472-K474 IonicContact OD2-NZ 3.56Å; D472-K474 PolarHBondContact OD2-NZ 3.28Å; D472-N477 PolarHBondContact O-ND2 2.82Å; D472-N477 PolarHBondContact OD2-ND2 3.08Å; D472-K497 IonicContact OD1-NZ 2.69Å; D472-K497 PolarHBondContact OD1-NZ 3Å; D472-K497 IonicContact OD2-NZ 3.45Å; D472-K497 PolarHBondContact OD2-NZ 3.4Å
473	M	92.1	Very high	90.8	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	24%	0.236	C	C	.	.			trans	-72.7	120.3	-178.6	178.8	54	167.4	0	0	110.6	T456 M460 H470 I478 I488 S537 Y538	T456-M473 HydrophobicContact CG2-CE 3.29Å; M460-M473 HydrophobicContact CG-CE 3.78Å; M460-M473 HydrophobicContact SD-CE 3.93Å; M460-M473 HydrophobicContact SD-CG 4.39Å; M460-M473 HydrophobicContact SD-SD 3.95Å; H470-M473 HydrophobicContact CB-CB 4.44Å; M473-I478 HydrophobicContact CE-CD1 3.64Å; M473-I478 HydrophobicContact CE-CG1 4.1Å; M473-I478 HydrophobicContact SD-CD1 4.18Å; M473-I478 HydrophobicContact SD-CG1 4.25Å; M473-I488 HydrophobicContact CE-CD1 4.2Å; M473-I488 HydrophobicContact SD-CG2 4.43Å; M473-S537 WeakPolarHBondContact O-CB 3.35Å; M473-Y538 HydrophobicContact CE-CD2 4.11Å
474	K	93.3	Very high	90.5	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.087	25%	0.248	C	C	.	.	S	Bend	trans	-166.1	161.4	-177.2	62	-166.3	176.2	-154.6	0	111.5	D472 N476 N477 I478 S512 W515	D472-K474 PolarHBondContact O-N 3.07Å; D472-K474 IonicContact OD1-NZ 3.34Å; D472-K474 PolarHBondContact OD1-NZ 2.98Å; D472-K474 IonicContact OD2-NZ 3.56Å; D472-K474 PolarHBondContact OD2-NZ 3.28Å; K474-N476 HydrophobicContact CD-CB 4.36Å; K474-N476 HydrophobicContact CG-CB 4.13Å; K474-N476 PolarHBondContact O-N 3.24Å; K474-N476 VanDerWaalsContact O-N 3.12Å; K474-N477 WeakPolarHBondContact CE-ND2 3.43Å; K474-N477 WeakPolarHBondContact CE-OD1 3.43Å; K474-N477 HydrophobicContact CG-CB 4.22Å; K474-N477 PolarHBondContact O-N 3.14Å; K474-I478 WeakPolarHBondContact O-CG1 3.45Å; K474-I478 PolarHBondContact O-N 3.17Å; K474-S512 WeakPolarHBondContact CD-OG 3.42Å; K474-S512 PolarHBondContact NZ-OG 3.27Å; K474-W515 HydrophobicContact CB-CB 4.4Å; K474-W515 HydrophobicContact CB-CD2 3.57Å; K474-W515 HydrophobicContact CB-CE3 4.15Å; K474-W515 HydrophobicContact CB-CG 3.67Å; K474-W515 HydrophobicContact CB-CZ2 4.31Å
475	S	95.1	Very high	90.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.8	-179.7	59	0	0	0	0	114.7	L433 Y434 E544	L433-S475 PolarHBondContact N-O 2.84Å; Y434-S475 WeakPolarHBondContact CD2-OG 3.22Å; Y434-S475 PolarHBondContact N-O 2.97Å; S475-E544 WeakPolarHBondContact CB-OE2 3.49Å; S475-E544 PolarHBondContact OG-OE1 3.37Å; S475-E544 PolarHBondContact OG-OE2 3.47Å
476	N	92.1	Very high	90.7	Very high	51 Å²	51	41.3 Å²	41.3	27%	0.273	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-30.3	171.3	-52.1	97.7	0	0	0	113.2	S432 Y434 K474	S432-N476 WeakPolarHBondContact CB-O 3.43Å; Y434-N476 WeakPolarHBondContact CB-ND2 3.42Å; Y434-N476 VanDerWaalsContact CD2-ND2 3.28Å; Y434-N476 WeakPolarHBondContact CD2-ND2 3.38Å; K474-N476 HydrophobicContact CD-CB 4.36Å; K474-N476 HydrophobicContact CG-CB 4.13Å; K474-N476 PolarHBondContact O-N 3.24Å; K474-N476 VanDerWaalsContact O-N 3.12Å
477	N	92.7	Very high	90.9	Very high	12 Å²	12	37 Å²	37	6%	0.064	20%	0.203	C	C	.	.	S	Bend	trans	-95.8	-0.5	-175	-66.2	4.6	0	0	0	112.2	D472 K474 G489 D490	D472-N477 PolarHBondContact O-ND2 2.82Å; D472-N477 PolarHBondContact OD2-ND2 3.08Å; K474-N477 WeakPolarHBondContact CE-ND2 3.43Å; K474-N477 WeakPolarHBondContact CE-OD1 3.43Å; K474-N477 HydrophobicContact CG-CB 4.22Å; K474-N477 PolarHBondContact O-N 3.14Å; N477-G489 PolarHBondContact O-N 3.02Å; N477-D490 HydrophobicContact CB-CB 4.3Å
478	I	96.4	Very high	91.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	119.8	174.6	-58.7	167.8	0	0	0	106.9	S432 L433 T456 M473 K474 V486 V541	S432-I478 CarbonylContact C-O 3.57Å; S432-I478 VanDerWaalsContact CA-O 3.29Å; S432-I478 WeakPolarHBondContact CA-O 3.35Å; L433-I478 HydrophobicContact CB-CB 4.14Å; L433-I478 HydrophobicContact CB-CG2 4.16Å; L433-I478 HydrophobicContact CD2-CB 4.48Å; L433-I478 HydrophobicContact CD2-CD1 4.24Å; L433-I478 HydrophobicContact CD2-CG2 4.2Å; L433-I478 PolarHBondContact N-O 3.18Å; T456-I478 HydrophobicContact CG2-CD1 3.84Å; M473-I478 HydrophobicContact CE-CD1 3.64Å; M473-I478 HydrophobicContact CE-CG1 4.1Å; M473-I478 HydrophobicContact SD-CD1 4.18Å; M473-I478 HydrophobicContact SD-CG1 4.25Å; K474-I478 WeakPolarHBondContact O-CG1 3.45Å; K474-I478 PolarHBondContact O-N 3.17Å; I478-V486 HydrophobicContact CG2-CG1 3.72Å; I478-V541 HydrophobicContact CD1-CB 4.44Å; I478-V541 HydrophobicContact CD1-CG1 3.69Å; I478-V541 HydrophobicContact CD1-CG2 4Å
479	F	95.2	Very high	91.3	Very high	58 Å²	58	30.1 Å²	30.1	25%	0.254	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	141.1	178.6	-57.3	-93.1	0	0	0	110.3	V486 K487	F479-V486 CarbonylContact O-C 3.52Å; F479-V486 WeakPolarHBondContact O-CA 3.45Å; F479-K487 HydrophobicContact CB-CB 4.28Å; F479-K487 PolarHBondContact N-O 3.27Å; F479-K487 PolarHBondContact O-N 3.09Å
480	L	94.8	Very high	90.8	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	98.1	170.4	-60.2	-175.9	0	0	0	107.8	G430 S431 L433 H436 Y444 I452 L484 V486	G430-L480 VanDerWaalsContact CA-O 3.29Å; G430-L480 WeakPolarHBondContact CA-O 3.31Å; S431-L480 PolarHBondContact O-N 3.14Å; L433-L480 HydrophobicContact CD1-CD1 3.96Å; L433-L480 HydrophobicContact CD1-CD2 4.5Å; L433-L480 HydrophobicContact CD1-CG 4.38Å; H436-L480 HydrophobicContact CB-CD1 4.39Å; Y444-L480 HydrophobicContact CE2-CD1 4.32Å; Y444-L480 VanDerWaalsContact OH-CD1 3.22Å; Y444-L480 WeakPolarHBondContact OH-CD1 3.4Å; I452-L480 HydrophobicContact CD1-CD1 4.02Å; I452-L480 HydrophobicContact CD1-CD2 4.18Å; I452-L480 HydrophobicContact CG1-CD2 4.09Å; I452-L480 HydrophobicContact CG2-CD2 4.15Å; L480-L484 HydrophobicContact CD1-CD2 4.34Å; L480-V486 HydrophobicContact CD2-CG2 3.86Å
481	H	89.4	Confident	89.8	Confident	40 Å²	40	31.1 Å²	31.1	19%	0.185	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-175.9	173.1	-176.8	41.8	0	0	0	110.1	L484 T485 K487	H481-L484 WeakPolarHBondContact O-CA 3.35Å; H481-L484 PolarHBondContact O-N 3.11Å; H481-L484 VanDerWaalsContact O-N 3.08Å; H481-T485 WeakPolarHBondContact CB-O 3.42Å; H481-T485 PolarHBondContact N-O 2.98Å; H481-T485 PolarHBondContact O-N 3.33Å; H481-T485 VanDerWaalsContact O-N 3.15Å; H481-K487 HydrophobicContact CB-CG 4.03Å
482	E	84.1	Confident	88.4	Confident	123 Å²	123	28 Å²	28	58%	0.575	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-47.6	140.6	-174	-71	157.1	-135.6	0	0	113.1	L484 T485	E482-L484 PolarHBondContact O-N 3.41Å; E482-T485 VanDerWaalsContact O-CB 3.26Å; E482-T485 WeakPolarHBondContact O-CB 3.38Å; E482-T485 PolarHBondContact O-N 3.5Å; E482-T485 VanDerWaalsContact O-N 3.09Å; E482-T485 PolarHBondContact O-OG1 2.94Å
483	G	79.1	Confident	87.1	Confident	83 Å²	83	27.6 Å²	27.6	86%	0.856	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	65.8	16.9	-175.4	0	0	0	0	0	115.3	T485	G483-T485 VanDerWaalsContact C-N 3.29Å
484	L	87.7	Confident	85.3	Confident	49 Å²	49	28.1 Å²	28.1	26%	0.257	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	62.5	33.2	-168.4	-52.2	174.8	0	0	0	112.9	Y444 Q448 Q455 L480 H481 E482 V486	Y444-L484 HydrophobicContact CD1-CD1 4.31Å; Y444-L484 HydrophobicContact CE1-CD1 3.94Å; Y444-L484 HydrophobicContact CE1-CD2 3.78Å; Q448-L484 HydrophobicContact CG-CD1 4.19Å; Q455-L484 PolarHBondContact NE2-O 2.92Å; L480-L484 HydrophobicContact CD1-CD2 4.34Å; H481-L484 WeakPolarHBondContact O-CA 3.35Å; H481-L484 PolarHBondContact O-N 3.11Å; H481-L484 VanDerWaalsContact O-N 3.08Å; E482-L484 PolarHBondContact O-N 3.41Å; L484-V486 PolarHBondContact O-N 2.81Å
485	T	94.8	Very high	83.3	Confident	39 Å²	39	29.5 Å²	29.5	24%	0.239	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.7	171.9	-57.6	0	0	0	0	109.6	V407 H481 E482 G483	V407-T485 HydrophobicContact CG2-CG2 4.31Å; H481-T485 WeakPolarHBondContact CB-O 3.42Å; H481-T485 PolarHBondContact N-O 2.98Å; H481-T485 PolarHBondContact O-N 3.33Å; H481-T485 VanDerWaalsContact O-N 3.15Å; E482-T485 VanDerWaalsContact O-CB 3.26Å; E482-T485 WeakPolarHBondContact O-CB 3.38Å; E482-T485 PolarHBondContact O-N 3.5Å; E482-T485 VanDerWaalsContact O-N 3.09Å; E482-T485 PolarHBondContact O-OG1 2.94Å; G483-T485 VanDerWaalsContact C-N 3.29Å
486	V	97.6	Very high	81.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	137.5	176.8	172.5	0	0	0	0	110.4	N408 I452 Q455 I478 F479 L480 L484 I488	N408-V486 WeakPolarHBondContact CA-O 3.44Å; N408-V486 PolarHBondContact ND2-O 3.24Å; I452-V486 HydrophobicContact CB-CG2 4.36Å; I452-V486 HydrophobicContact CG1-CG2 4.47Å; I452-V486 HydrophobicContact CG2-CG2 4.02Å; Q455-V486 HydrophobicContact CB-CB 3.75Å; Q455-V486 HydrophobicContact CB-CG2 3.68Å; Q455-V486 HydrophobicContact CG-CG2 4.49Å; I478-V486 HydrophobicContact CG2-CG1 3.72Å; F479-V486 CarbonylContact O-C 3.52Å; F479-V486 WeakPolarHBondContact O-CA 3.45Å; L480-V486 HydrophobicContact CD2-CG2 3.86Å; L484-V486 PolarHBondContact O-N 2.81Å; V486-I488 HydrophobicContact CG1-CG1 4.35Å
487	K	95.8	Very high	79.3	Confident	22 Å²	22	28.7 Å²	28.7	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	116.7	171.5	-65.8	-71.3	-176.6	168.1	0	110	V407 L410 F479 H481	V407-K487 WeakPolarHBondContact O-CD 3.39Å; V407-K487 VanDerWaalsContact O-CE 3.3Å; V407-K487 WeakPolarHBondContact O-CE 3.45Å; V407-K487 PolarHBondContact O-NZ 3.44Å; L410-K487 HydrophobicContact CD1-CB 4.25Å; F479-K487 HydrophobicContact CB-CB 4.28Å; F479-K487 PolarHBondContact N-O 3.27Å; F479-K487 PolarHBondContact O-N 3.09Å; H481-K487 HydrophobicContact CB-CG 4.03Å
488	I	95.1	Very high	77.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120	174.5	-53.3	177.7	0	0	0	109.2	N408 I409 L410 T456 M460 H470 M473 V486	N408-I488 PolarHBondContact O-N 2.81Å; I409-I488 HydrophobicContact CD1-CB 4.02Å; I409-I488 HydrophobicContact CD1-CD1 4.44Å; L410-I488 WeakPolarHBondContact CB-O 3.48Å; L410-I488 PolarHBondContact N-O 3.28Å; T456-I488 HydrophobicContact CG2-CD1 4.2Å; M460-I488 HydrophobicContact CG-CD1 3.83Å; M460-I488 HydrophobicContact SD-CD1 3.95Å; H470-I488 WeakPolarHBondContact NE2-CG2 3.44Å; M473-I488 HydrophobicContact CE-CD1 4.2Å; M473-I488 HydrophobicContact SD-CG2 4.43Å; V486-I488 HydrophobicContact CG1-CG1 4.35Å
489	G	89.4	Confident	75.1	Confident	1 Å²	1	39 Å²	39	1%	0.01	22%	0.217	C	C	.	.			trans	-113.2	-176	175.9	0	0	0	0	0	112.7	H470 N477 F491	H470-G489 PolarHBondContact CE1-O 3.3Å; H470-G489 PolarHBondContact NE2-O 3.43Å; N477-G489 PolarHBondContact O-N 3.02Å; G489-F491 PolarHBondContact O-N 3.05Å
490	D	79.5	Confident	73.1	Confident	53 Å²	53	37.9 Å²	37.9	28%	0.283	21%	0.211	S	C	.	.	S	Bend	trans	55	12.6	175.1	-89.8	25.2	0	0	0	117.3	K379 N477	K379-D490 IonicContact NZ-OD1 3.51Å; K379-D490 PolarHBondContact NZ-OD1 2.96Å; K379-D490 IonicContact NZ-OD2 2.79Å; K379-D490 PolarHBondContact NZ-OD2 3.48Å; N477-D490 HydrophobicContact CB-CB 4.3Å
491	F	69.8	Low	70.9	Confident	7 Å²	7	41.3 Å²	41.3	3%	0.031	23%	0.232	C	C	.	.			trans	-71.1	162.4	164.4	68.2	-83.6	0	0	0	111	L401 T404 I409 L463 I468 H470 G489 L493	L401-F491 HydrophobicContact CD2-CD2 3.95Å; L401-F491 HydrophobicContact CD2-CE1 4.41Å; L401-F491 HydrophobicContact CD2-CE2 3.44Å; L401-F491 VanDerWaalsContact CD2-CE2 3.44Å; L401-F491 HydrophobicContact CD2-CZ 3.7Å; T404-F491 HydrophobicContact CG2-CE2 3.79Å; T404-F491 HydrophobicContact CG2-CZ 4.23Å; I409-F491 HydrophobicContact CG2-CE1 3.49Å; I409-F491 VanDerWaalsContact CG2-CE1 3.49Å; I409-F491 HydrophobicContact CG2-CE2 4.5Å; I409-F491 HydrophobicContact CG2-CZ 3.46Å; I409-F491 VanDerWaalsContact CG2-CZ 3.46Å; L463-F491 HydrophobicContact CD1-CB 4.21Å; L463-F491 HydrophobicContact CD1-CD2 4.32Å; L463-F491 HydrophobicContact CD1-CG 4.09Å; L463-F491 HydrophobicContact CD2-CD2 3.81Å; L463-F491 HydrophobicContact CD2-CE2 3.84Å; L463-F491 HydrophobicContact CD2-CG 4.36Å; L463-F491 HydrophobicContact CD2-CZ 4.44Å; I468-F491 HydrophobicContact CG2-CD2 4.42Å; H470-F491 HydrophobicContact CB-CB 4.21Å; H470-F491 PolarHBondContact CE1-N 3.01Å; H470-F491 WeakPolarHBondContact ND1-CA 3.28Å; G489-F491 PolarHBondContact O-N 3.05Å; F491-L493 PolarHBondContact O-N 3.42Å
492	G	57.6	Low	68.5	Low	8 Å²	8	41.3 Å²	41.3	8%	0.082	24%	0.243	C	C	.	.	S	Bend	trans	79.9	-57.7	-172.8	0	0	0	0	0	112.5	E397 A494 T495	E397-G492 VanDerWaalsContact CD-O 3.29Å; G492-A494 PolarHBondContact O-N 3.46Å; G492-T495 PolarHBondContact O-N 2.94Å; G492-T495 PolarHBondContact O-OG1 3.28Å
493	L	58.5	Low	66.2	Low	8 Å²	8	41.6 Å²	41.6	4%	0.042	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-14.4	-172.6	-77	178.4	0	0	0	117.1	K379 E397 I423 F491 T495 V496 K497	K379-L493 HydrophobicContact CD-CD1 4.13Å; E397-L493 VanDerWaalsContact OE2-CA 3.27Å; E397-L493 WeakPolarHBondContact OE2-CA 3.31Å; I423-L493 HydrophobicContact CD1-CD2 3.82Å; F491-L493 PolarHBondContact O-N 3.42Å; L493-T495 PolarHBondContact O-N 2.87Å; L493-V496 WeakPolarHBondContact O-CB 3.43Å; L493-V496 PolarHBondContact O-N 3.28Å; L493-K497 WeakPolarHBondContact O-CG 3.43Å; L493-K497 PolarHBondContact O-N 2.81Å
494	A	53.2	Low	64.2	Low	13 Å²	13	46.7 Å²	46.7	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-68.5	-24.2	-179.4	0	0	0	0	0	115.2	R471 G492 K497	R471-A494 HydrophobicContact CB-CB 3.46Å; R471-A494 VanDerWaalsContact CB-CB 3.46Å; R471-A494 HydrophobicContact CG-CB 4.09Å; G492-A494 PolarHBondContact O-N 3.46Å; A494-K497 HydrophobicContact CB-CD 4.5Å
495	T	51.6	Low	61.7	Low	49 Å²	49	51.7 Å²	51.7	30%	0.301	28%	0.282	S	S	.	.	H	α-helix	trans	-78.6	-30.2	174.3	20.9	0	0	0	0	112.8	E397 G492 L493	E397-T495 WeakPolarHBondContact OE1-CA 3.39Å; E397-T495 VanDerWaalsContact OE1-CB 3.25Å; E397-T495 WeakPolarHBondContact OE1-CB 3.38Å; E397-T495 PolarHBondContact OE1-N 3.45Å; E397-T495 PolarHBondContact OE1-OG1 3.5Å; G492-T495 PolarHBondContact O-N 2.94Å; G492-T495 PolarHBondContact O-OG1 3.28Å; L493-T495 PolarHBondContact O-N 2.87Å
496	V	50.8	Low	59	Low	1 Å²	1	56.1 Å²	56.1	1%	0.006	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-48.1	165.9	143.7	0	0	0	0	109.8	A393 E397 L493 S498 R499 W500	A393-V496 HydrophobicContact CB-CG2 4.26Å; E397-V496 VanDerWaalsContact CD-CG2 3.44Å; E397-V496 PolarHBondContact OE1-N 2.85Å; E397-V496 WeakPolarHBondContact OE2-CB 3.33Å; E397-V496 WeakPolarHBondContact OE2-CG2 3.41Å; L493-V496 WeakPolarHBondContact O-CB 3.43Å; L493-V496 PolarHBondContact O-N 3.28Å; V496-S498 PolarHBondContact O-N 3.42Å; V496-R499 PolarHBondContact O-N 3.1Å; V496-W500 HydrophobicContact CG1-CD2 3.62Å; V496-W500 HydrophobicContact CG1-CE3 4.05Å; V496-W500 HydrophobicContact CG1-CG 3.85Å; V496-W500 HydrophobicContact CG1-CZ2 4.26Å; V496-W500 HydrophobicContact CG2-CZ2 4.05Å; V496-W500 VanDerWaalsContact O-CB 3.28Å; V496-W500 WeakPolarHBondContact O-CB 2.96Å; V496-W500 VanDerWaalsContact O-CG 3.28Å; V496-W500 PolarHBondContact O-N 3.33Å
497	K	52.5	Low	56.4	Low	32 Å²	32	61.3 Å²	61.3	14%	0.139	33%	0.333	C	S	.	.	H	α-helix	trans	-47.5	-54.4	-176.2	-57.3	-175.6	-177.3	-171.2	0	114	F364 D472 L493 A494 T501	F364-K497 HydrophobicContact CD1-CB 4.32Å; F364-K497 HydrophobicContact CD1-CG 3.86Å; F364-K497 HydrophobicContact CD2-CD 4.14Å; F364-K497 HydrophobicContact CD2-CG 4.04Å; F364-K497 HydrophobicContact CE1-CB 3.64Å; F364-K497 HydrophobicContact CE1-CD 4.08Å; F364-K497 HydrophobicContact CE1-CG 3.45Å; F364-K497 VanDerWaalsContact CE1-CG 3.45Å; F364-K497 HydrophobicContact CE2-CD 3.43Å; F364-K497 VanDerWaalsContact CE2-CD 3.43Å; F364-K497 HydrophobicContact CE2-CG 3.64Å; F364-K497 HydrophobicContact CG-CG 4.16Å; F364-K497 HydrophobicContact CZ-CB 3.79Å; F364-K497 HydrophobicContact CZ-CD 3.42Å; F364-K497 VanDerWaalsContact CZ-CD 3.42Å; F364-K497 HydrophobicContact CZ-CG 3.35Å; D472-K497 IonicContact OD1-NZ 2.69Å; D472-K497 PolarHBondContact OD1-NZ 3Å; D472-K497 IonicContact OD2-NZ 3.45Å; D472-K497 PolarHBondContact OD2-NZ 3.4Å; L493-K497 WeakPolarHBondContact O-CG 3.43Å; L493-K497 PolarHBondContact O-N 2.81Å; A494-K497 HydrophobicContact CB-CD 4.5Å; K497-T501 PolarHBondContact O-OG1 3.34Å
498	S	50.5	Low	53.8	Low	64 Å²	64	67.3 Å²	67.3	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-77.7	-19.2	-175.8	60.1	0	0	0	0	114.2	V496	V496-S498 PolarHBondContact O-N 3.42Å
499	R	50.5	Low	51.4	Low	165 Å²	165	68.2 Å²	68.2	62%	0.623	37%	0.367	S	S	*	.	H	α-helix	trans	-87.8	-21.4	174.7	-68.4	-176.2	175.2	-155.6	-3.3	113.1	V496	V496-R499 PolarHBondContact O-N 3.1Å
500	W	53.2	Low	49	Very low	34 Å²	34	72.6 Å²	72.6	13%	0.129	40%	0.398	C	S	.	.	H	α-helix	trans	-93.6	-18.6	-173.5	-74.5	34.7	0	0	0	113.3	L381 V383 Q390 F394 L421 V496 G502	L381-W500 HydrophobicContact CB-CH2 4.1Å; L381-W500 HydrophobicContact CB-CZ3 3.81Å; L381-W500 HydrophobicContact CD1-CH2 3.56Å; L381-W500 HydrophobicContact CD1-CZ2 4.47Å; L381-W500 HydrophobicContact CD1-CZ3 3.98Å; L381-W500 HydrophobicContact CG-CH2 4.47Å; L381-W500 HydrophobicContact CG-CZ3 4.48Å; V383-W500 HydrophobicContact CB-CZ3 4.12Å; V383-W500 HydrophobicContact CG2-CD2 4.38Å; V383-W500 HydrophobicContact CG2-CE3 3.45Å; V383-W500 VanDerWaalsContact CG2-CE3 3.45Å; V383-W500 HydrophobicContact CG2-CH2 4.21Å; V383-W500 HydrophobicContact CG2-CZ3 3.35Å; Q390-W500 HydrophobicContact CB-CZ2 4.28Å; Q390-W500 HydrophobicContact CG-CG 4.33Å; F394-W500 HydrophobicContact CB-CZ2 4.23Å; L421-W500 HydrophobicContact CD1-CH2 3.85Å; L421-W500 HydrophobicContact CD1-CZ2 4.29Å; V496-W500 HydrophobicContact CG1-CD2 3.62Å; V496-W500 HydrophobicContact CG1-CE3 4.05Å; V496-W500 HydrophobicContact CG1-CG 3.85Å; V496-W500 HydrophobicContact CG1-CZ2 4.26Å; V496-W500 HydrophobicContact CG2-CZ2 4.05Å; V496-W500 VanDerWaalsContact O-CB 3.28Å; V496-W500 WeakPolarHBondContact O-CB 2.96Å; V496-W500 VanDerWaalsContact O-CG 3.28Å; V496-W500 PolarHBondContact O-N 3.33Å; W500-G502 PolarHBondContact O-N 2.56Å
501	T	48.4	Very low	47.9	Very low	77 Å²	77	71.7 Å²	71.7	47%	0.472	40%	0.401	S	S	.	.	S	Bend	trans	-78.8	0.9	174.1	48.1	0	0	0	0	114.8	K497	K497-T501 PolarHBondContact O-OG1 3.34Å
502	G	38.9	Very low	48.1	Very low	39 Å²	39	73.1 Å²	73.1	40%	0.402	41%	0.412	S	S	.	.			trans	80.3	144.6	-176.4	0	0	0	0	0	113.4	W500 Q504	W500-G502 PolarHBondContact O-N 2.56Å; G502-Q504 PolarHBondContact O-N 2.76Å
503	S	35.9	Very low	49.5	Very low	130 Å²	130	73.5 Å²	73.5	91%	0.909	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	20.2	-168.7	49.5	0	0	0	0	115.9
504	Q	36.4	Very low	51.1	Low	189 Å²	189	74.6 Å²	74.6	88%	0.883	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.4	-3.3	-177.2	-78.5	-170.1	-15.8	0	0	115.8	G502 V506	G502-Q504 PolarHBondContact O-N 2.76Å; Q504-V506 PolarHBondContact O-N 2.73Å
505	Q	36.8	Very low	53.1	Low	155 Å²	155	74.6 Å²	74.6	72%	0.724	42%	0.415	S	S	*	.	S	Bend	trans	-81.8	117	158.4	-71.3	-161.5	-8.2	0	0	108.8
506	V	37.3	Very low	55	Low	132 Å²	132	73.5 Å²	73.5	80%	0.8	41%	0.406	S	S	*	.			trans	-46.7	140.9	164	177	0	0	0	0	108.5	Q504 Q508	Q504-V506 PolarHBondContact O-N 2.73Å; V506-Q508 PolarHBondContact O-N 3.38Å
507	E	41.9	Very low	57	Low	108 Å²	108	73.5 Å²	73.5	51%	0.505	41%	0.406	S	S	.	.			trans	-65.7	63.9	-174	-63.2	-170.1	121.5	0	0	113.9	M523	E507-M523 HydrophobicContact CB-CE 4.29Å; E507-M523 HydrophobicContact CB-CG 4.31Å
508	Q	41	Very low	59	Low	149 Å²	149	72.2 Å²	72.2	70%	0.696	40%	0.401	S	S	*	.			trans	-58.7	136	162.9	-75.2	-146.1	9.8	0	0	108.8	V506 S510	V506-Q508 PolarHBondContact O-N 3.38Å; Q508-S510 PolarHBondContact O-N 3.47Å
509	P	45.4	Very low	61	Low	19 Å²	19	69.4 Å²	69.4	12%	0.123	38%	0.381	C	S	.	.			trans	-58.7	71.7	173.6	-32.1	40.2	0	0	0	115.2	G511 I513 M516 R558	P509-G511 PolarHBondContact O-N 3.23Å; P509-I513 HydrophobicContact CB-CG2 4.16Å; P509-M516 HydrophobicContact CB-CE 3.85Å; P509-M516 HydrophobicContact CB-SD 3.82Å; P509-M516 HydrophobicContact CG-CE 4.3Å; P509-R558 PolarHBondContact O-NH2 3.47Å
510	S	39.9	Very low	62.9	Low	92 Å²	92	61.8 Å²	61.8	64%	0.643	35%	0.353	S	S	*	.			trans	-77.8	72.9	176.9	-164.1	0	0	0	0	110.2	Q508	Q508-S510 PolarHBondContact O-N 3.47Å
511	G	55.7	Low	64.6	Low	34 Å²	34	60.9 Å²	60.9	35%	0.351	35%	0.35	S	S	.	.	S	Bend	trans	-172.8	-174.1	-174.3	0	0	0	0	0	112.4	P509 I513	P509-G511 PolarHBondContact O-N 3.23Å; G511-I513 VanDerWaalsContact C-N 3.35Å; G511-I513 PolarHBondContact O-N 3.27Å
512	S	74.1	Confident	66.5	Low	37 Å²	37	61.6 Å²	61.6	26%	0.259	35%	0.345	S	S	.	.			trans	-77.5	83	-177.8	-53.5	0	0	0	0	109.7	K474 L514 W515	K474-S512 WeakPolarHBondContact CD-OG 3.42Å; K474-S512 PolarHBondContact NZ-OG 3.27Å; S512-L514 PolarHBondContact O-N 3.25Å; S512-W515 VanDerWaalsContact CB-CE3 3.47Å; S512-W515 PolarHBondContact O-N 2.9Å
513	I	86.5	Confident	68.6	Low	17 Å²	17	61.9 Å²	61.9	9%	0.087	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.1	-166.7	61.8	152.8	0	0	0	115.4	P509 G511 W515 M516 R558 I561 I562	P509-I513 HydrophobicContact CB-CG2 4.16Å; G511-I513 VanDerWaalsContact C-N 3.35Å; G511-I513 PolarHBondContact O-N 3.27Å; I513-W515 PolarHBondContact O-N 3.39Å; I513-M516 HydrophobicContact CG2-SD 4.32Å; I513-M516 PolarHBondContact O-N 2.98Å; I513-M516 VanDerWaalsContact O-N 3.1Å; I513-R558 HydrophobicContact CD1-CB 4.42Å; I513-R558 HydrophobicContact CD1-CG 3.55Å; I513-R558 HydrophobicContact CG1-CG 4.29Å; I513-I561 HydrophobicContact CD1-CB 3.95Å; I513-I561 HydrophobicContact CD1-CG2 3.91Å; I513-I562 HydrophobicContact CB-CG1 4.42Å; I513-I562 HydrophobicContact CD1-CD1 4.49Å; I513-I562 HydrophobicContact CD1-CG1 3.87Å; I513-I562 HydrophobicContact CG2-CD1 4.1Å; I513-I562 HydrophobicContact CG2-CG1 4.07Å
514	L	92.4	Very high	70.7	Confident	30 Å²	30	61.7 Å²	61.7	16%	0.157	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-62.3	-28.9	-175.9	-54.1	178.3	0	0	0	112.6	S512 L550 P551 Y552 I561	S512-L514 PolarHBondContact O-N 3.25Å; L514-L550 HydrophobicContact CD1-CB 4.21Å; L514-L550 HydrophobicContact CD1-CD1 4.11Å; L514-L550 HydrophobicContact CD1-CD2 4.19Å; L514-L550 HydrophobicContact CD1-CG 4.41Å; L514-P551 HydrophobicContact CB-CG 3.97Å; L514-Y552 HydrophobicContact CD2-CD2 3.83Å; L514-Y552 HydrophobicContact CD2-CE2 4.44Å; L514-I561 HydrophobicContact CD2-CD1 4.22Å
515	W	94.6	Very high	72.7	Confident	13 Å²	13	56 Å²	56	5%	0.049	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-94	-4.6	179.4	-63.1	-95.9	0	0	0	113.4	Y434 K474 S512 I513 S537 I540 E544 L550	Y434-W515 HydrophobicContact CD2-CH2 4.28Å; Y434-W515 HydrophobicContact CD2-CZ2 4.48Å; Y434-W515 HydrophobicContact CE2-CH2 4.19Å; K474-W515 HydrophobicContact CB-CB 4.4Å; K474-W515 HydrophobicContact CB-CD2 3.57Å; K474-W515 HydrophobicContact CB-CE3 4.15Å; K474-W515 HydrophobicContact CB-CG 3.67Å; K474-W515 HydrophobicContact CB-CZ2 4.31Å; S512-W515 VanDerWaalsContact CB-CE3 3.47Å; S512-W515 PolarHBondContact O-N 2.9Å; I513-W515 PolarHBondContact O-N 3.39Å; W515-S537 WeakPolarHBondContact O-CA 3.11Å; W515-S537 VanDerWaalsContact O-CB 3.3Å; W515-S537 WeakPolarHBondContact O-CB 3.25Å; W515-S537 PolarHBondContact O-OG 3.48Å; W515-I540 HydrophobicContact CD2-CG2 4.44Å; W515-I540 HydrophobicContact CG-CB 4.3Å; W515-I540 HydrophobicContact CG-CG2 4.02Å; W515-E544 PolarHBondContact NE1-OE1 2.9Å; W515-L550 HydrophobicContact CH2-CD2 3.72Å; W515-L550 HydrophobicContact CZ2-CD2 3.76Å
516	M	92.1	Very high	74.3	Confident	26 Å²	26	57.2 Å²	57.2	13%	0.128	31%	0.308	C	S	.	.			trans	-80.4	131.5	-173.4	-66.1	-176.8	67.3	0	0	112	P509 I513 V520 I521 Y536	P509-M516 HydrophobicContact CB-CE 3.85Å; P509-M516 HydrophobicContact CB-SD 3.82Å; P509-M516 HydrophobicContact CG-CE 4.3Å; I513-M516 HydrophobicContact CG2-SD 4.32Å; I513-M516 PolarHBondContact O-N 2.98Å; I513-M516 VanDerWaalsContact O-N 3.1Å; M516-V520 HydrophobicContact CE-CB 4.4Å; M516-V520 HydrophobicContact CE-CG1 3.66Å; M516-I521 HydrophobicContact CB-CD1 4.01Å; M516-I521 HydrophobicContact CB-CG1 3.68Å; M516-I521 WeakPolarHBondContact O-CD1 3.37Å; M516-Y536 VanDerWaalsContact O-CE1 3.26Å; M516-Y536 WeakPolarHBondContact O-CE1 3.16Å
517	A	93.6	Very high	76.2	Confident	1 Å²	1	55 Å²	55	1%	0.008	29%	0.291	C	S	.	.			trans	-69.1	147.9	177.6	0	0	0	0	0	111.8	E519 V520 I521 Y536	A517-E519 VanDerWaalsContact C-N 3.26Å; A517-E519 VanDerWaalsContact CB-OE1 3.25Å; A517-E519 WeakPolarHBondContact CB-OE1 3.44Å; A517-E519 WeakPolarHBondContact CB-OE2 3.25Å; A517-E519 PolarHBondContact O-N 3.49Å; A517-E519 VanDerWaalsContact O-N 3.13Å; A517-V520 HydrophobicContact CB-CG2 4.17Å; A517-V520 WeakPolarHBondContact O-CA 3.33Å; A517-V520 PolarHBondContact O-N 2.87Å; A517-I521 PolarHBondContact O-N 2.92Å; A517-Y536 VanDerWaalsContact CA-CD1 3.45Å; A517-Y536 HydrophobicContact CB-CD1 3.85Å; A517-Y536 HydrophobicContact CB-CD2 4.38Å; A517-Y536 HydrophobicContact CB-CG 3.73Å
518	P	93.5	Very high	78.3	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.032	27%	0.269	C	S	.	.	H	α-helix	trans	-53.1	-37	-176.7	-29.4	35.7	0	0	0	114.8	I521 R522 Y536 V565	P518-I521 PolarHBondContact O-N 3.45Å; P518-R522 WeakPolarHBondContact O-CG 3.46Å; P518-R522 PolarHBondContact O-N 2.98Å; P518-R522 VanDerWaalsContact O-N 3.14Å; P518-R522 PolarHBondContact O-NH1 2.88Å; P518-R522 VanDerWaalsContact O-NH1 3.11Å; P518-Y536 HydrophobicContact CG-CE2 4.27Å; P518-V565 HydrophobicContact CG-CG1 4.06Å
519	E	92.5	Very high	80.5	Confident	6 Å²	6	45.6 Å²	45.6	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-68.4	-35.1	175.8	67.8	-79.7	-172.8	0	0	113.5	A517 I521 R522 M523 P528 K597 R600	A517-E519 VanDerWaalsContact C-N 3.26Å; A517-E519 VanDerWaalsContact CB-OE1 3.25Å; A517-E519 WeakPolarHBondContact CB-OE1 3.44Å; A517-E519 WeakPolarHBondContact CB-OE2 3.25Å; A517-E519 PolarHBondContact O-N 3.49Å; A517-E519 VanDerWaalsContact O-N 3.13Å; E519-I521 VanDerWaalsContact C-N 3.34Å; E519-R522 PolarHBondContact O-N 3.42Å; E519-M523 PolarHBondContact O-N 3.32Å; E519-M523 VanDerWaalsContact O-N 3.15Å; E519-P528 HydrophobicContact CG-CB 4.38Å; E519-K597 HydrophobicContact CG-CD 4.11Å; E519-R600 IonicContact OE1-CZ 3.7Å; E519-R600 IonicContact OE1-NH1 3.99Å; E519-R600 PolarHBondContact OE1-NH1 3.35Å; E519-R600 IonicContact OE1-NH2 2.66Å; E519-R600 PolarHBondContact OE1-NH2 2.94Å; E519-R600 IonicContact OE2-CZ 2.81Å; E519-R600 IonicContact OE2-NH1 2.65Å; E519-R600 IonicContact OE2-NH2 3.83Å; E519-R600 PolarHBondContact OE2-NH2 2.95Å
520	V	90.3	Very high	82.7	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.024	25%	0.247	C	C	.	.	H	α-helix	trans	-75.7	-27.2	175.8	-171.1	0	0	0	0	110.8	M516 A517 M523 P528 Y529	M516-V520 HydrophobicContact CE-CB 4.4Å; M516-V520 HydrophobicContact CE-CG1 3.66Å; A517-V520 HydrophobicContact CB-CG2 4.17Å; A517-V520 WeakPolarHBondContact O-CA 3.33Å; A517-V520 PolarHBondContact O-N 2.87Å; V520-M523 HydrophobicContact CG1-CE 4.27Å; V520-M523 VanDerWaalsContact O-CE 3.29Å; V520-M523 WeakPolarHBondContact O-CE 3.26Å; V520-P528 HydrophobicContact CB-CB 4.47Å; V520-P528 HydrophobicContact CB-CG 4.49Å; V520-P528 HydrophobicContact CG1-CG 4.42Å; V520-P528 HydrophobicContact CG2-CB 4.1Å; V520-P528 HydrophobicContact CG2-CG 4.43Å; V520-Y529 HydrophobicContact CG1-CD1 4.06Å; V520-Y529 HydrophobicContact CG1-CE1 3.46Å; V520-Y529 VanDerWaalsContact CG1-CE1 3.46Å; V520-Y529 HydrophobicContact CG1-CE2 4.06Å; V520-Y529 VanDerWaalsContact CG1-CZ 3.45Å; V520-Y529 HydrophobicContact CG2-CD1 4.37Å
521	I	89.6	Confident	85.3	Confident	15 Å²	15	43.7 Å²	43.7	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-71.3	-32.7	171.3	-69.2	177.4	0	0	0	111.7	M516 A517 P518 E519 I562 V565	M516-I521 HydrophobicContact CB-CD1 4.01Å; M516-I521 HydrophobicContact CB-CG1 3.68Å; M516-I521 WeakPolarHBondContact O-CD1 3.37Å; A517-I521 PolarHBondContact O-N 2.92Å; P518-I521 PolarHBondContact O-N 3.45Å; E519-I521 VanDerWaalsContact C-N 3.34Å; I521-I562 HydrophobicContact CG2-CG2 3.81Å; I521-I562 WeakPolarHBondContact CG2-O 3.29Å; I521-V565 HydrophobicContact CD1-CB 3.9Å; I521-V565 HydrophobicContact CD1-CG1 3.66Å
522	R	87.6	Confident	87.3	Confident	93 Å²	93	44.7 Å²	44.7	35%	0.351	22%	0.223	S	C	.	.	H	α-helix	trans	-84.9	-25	-178.4	-69.1	-163.3	-51.1	-63.7	-16.5	114.8	P518 E519 E524 G566	P518-R522 WeakPolarHBondContact O-CG 3.46Å; P518-R522 PolarHBondContact O-N 2.98Å; P518-R522 VanDerWaalsContact O-N 3.14Å; P518-R522 PolarHBondContact O-NH1 2.88Å; P518-R522 VanDerWaalsContact O-NH1 3.11Å; E519-R522 PolarHBondContact O-N 3.42Å; R522-E524 HydrophobicContact CB-CG 3.95Å; R522-E524 WeakPolarHBondContact CD-OE1 3.5Å; R522-E524 IonicContact CZ-OE2 3.83Å; R522-E524 IonicContact NE-OE1 2.94Å; R522-E524 PolarHBondContact NE-OE1 3.19Å; R522-E524 IonicContact NE-OE2 2.69Å; R522-E524 PolarHBondContact NE-OE2 2.91Å; R522-E524 IonicContact NH2-OE2 2.89Å; R522-E524 PolarHBondContact NH2-OE2 3.46Å; R522-E524 VanDerWaalsContact NH2-OE2 3.08Å; R522-E524 PolarHBondContact O-N 3.47Å; R522-E524 VanDerWaalsContact O-N 3.16Å; R522-G566 VanDerWaalsContact CD-O 3.22Å; R522-G566 WeakPolarHBondContact CD-O 3.42Å; R522-G566 PolarHBondContact NH1-O 2.9Å; R522-G566 VanDerWaalsContact NH1-O 3.11Å
523	M	83.4	Confident	88.3	Confident	44 Å²	44	43 Å²	43	22%	0.217	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	33.7	-176.5	-57.4	-61.9	-167.1	0	0	113.9	E507 E519 V520 P528	E507-M523 HydrophobicContact CB-CE 4.29Å; E507-M523 HydrophobicContact CB-CG 4.31Å; E519-M523 PolarHBondContact O-N 3.32Å; E519-M523 VanDerWaalsContact O-N 3.15Å; V520-M523 HydrophobicContact CG1-CE 4.27Å; V520-M523 VanDerWaalsContact O-CE 3.29Å; V520-M523 WeakPolarHBondContact O-CE 3.26Å; M523-P528 HydrophobicContact SD-CG 3.63Å
524	E	80.6	Confident	88.7	Confident	127 Å²	127	42.2 Å²	42.2	59%	0.593	21%	0.207	S	C	*	.			trans	-81.3	-25.5	179.8	-74.9	164.8	172.3	0	0	113.2	R522	R522-E524 HydrophobicContact CB-CG 3.95Å; R522-E524 WeakPolarHBondContact CD-OE1 3.5Å; R522-E524 IonicContact CZ-OE2 3.83Å; R522-E524 IonicContact NE-OE1 2.94Å; R522-E524 PolarHBondContact NE-OE1 3.19Å; R522-E524 IonicContact NE-OE2 2.69Å; R522-E524 PolarHBondContact NE-OE2 2.91Å; R522-E524 IonicContact NH2-OE2 2.89Å; R522-E524 PolarHBondContact NH2-OE2 3.46Å; R522-E524 VanDerWaalsContact NH2-OE2 3.08Å; R522-E524 PolarHBondContact O-N 3.47Å; R522-E524 VanDerWaalsContact O-N 3.16Å
525	D	77.8	Confident	89	Confident	68 Å²	68	40.8 Å²	40.8	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-89.9	141.1	176.3	-69.9	-41.4	0	0	0	110.1	N527 P528 K597	D525-N527 PolarHBondContact O-N 3.27Å; D525-P528 HydrophobicContact CB-CB 4.26Å; D525-P528 WeakPolarHBondContact O-CD 3.4Å; D525-K597 IonicContact OD1-NZ 2.69Å; D525-K597 IonicContact OD2-NZ 3.54Å; D525-K597 PolarHBondContact OD2-NZ 2.63Å
526	N	70.3	Confident	89.1	Confident	182 Å²	182	40.4 Å²	40.4	97%	0.973	20%	0.198	S	C	*	.	S	Bend	trans	-54.5	-18.9	174.4	-73.8	-3.1	0	0	0	114.8
527	N	78.1	Confident	89.4	Confident	85 Å²	85	39.6 Å²	39.6	46%	0.455	20%	0.195	S	C	.	.			trans	-154.4	99.5	164.8	168.8	71.9	0	0	0	107.9	D525 Y529	D525-N527 PolarHBondContact O-N 3.27Å; N527-Y529 VanDerWaalsContact C-N 3.31Å; N527-Y529 PolarHBondContact ND2-O 3.24Å
528	P	84.7	Confident	89.6	Confident	6 Å²	6	39.6 Å²	39.6	4%	0.039	20%	0.195	C	C	.	.			trans	-78.7	-19	-178.8	31.5	-32.9	0	0	0	112.2	E519 V520 M523 D525 S530	E519-P528 HydrophobicContact CG-CB 4.38Å; V520-P528 HydrophobicContact CB-CB 4.47Å; V520-P528 HydrophobicContact CB-CG 4.49Å; V520-P528 HydrophobicContact CG1-CG 4.42Å; V520-P528 HydrophobicContact CG2-CB 4.1Å; V520-P528 HydrophobicContact CG2-CG 4.43Å; M523-P528 HydrophobicContact SD-CG 3.63Å; D525-P528 HydrophobicContact CB-CB 4.26Å; D525-P528 WeakPolarHBondContact O-CD 3.4Å; P528-S530 PolarHBondContact O-N 2.99Å; P528-S530 PolarHBondContact O-OG 2.99Å
529	Y	87.9	Confident	89.8	Confident	53 Å²	53	39.3 Å²	39.3	21%	0.208	19%	0.193	C	C	.	.			trans	-67.2	121.2	177	-66.6	-78.4	0	0	0	111.6	R471 V520 N527	R471-Y529 HydrophobicContact CB-CD1 3.5Å; R471-Y529 HydrophobicContact CB-CE1 3.74Å; R471-Y529 HydrophobicContact CB-CG 4.29Å; R471-Y529 HydrophobicContact CG-CD1 3.62Å; R471-Y529 HydrophobicContact CG-CE1 4.31Å; R471-Y529 HydrophobicContact CG-CG 3.94Å; V520-Y529 HydrophobicContact CG1-CD1 4.06Å; V520-Y529 HydrophobicContact CG1-CE1 3.46Å; V520-Y529 VanDerWaalsContact CG1-CE1 3.46Å; V520-Y529 HydrophobicContact CG1-CE2 4.06Å; V520-Y529 VanDerWaalsContact CG1-CZ 3.45Å; V520-Y529 HydrophobicContact CG2-CD1 4.37Å; N527-Y529 VanDerWaalsContact C-N 3.31Å; N527-Y529 PolarHBondContact ND2-O 3.24Å
530	S	91.7	Very high	90.1	Very high	21 Å²	21	39 Å²	39	15%	0.147	19%	0.192	C	C	.	.			trans	-148.4	169.9	-172.4	56	0	0	0	0	110.6	P528 Q532 S533 D534	P528-S530 PolarHBondContact O-N 2.99Å; P528-S530 PolarHBondContact O-OG 2.99Å; S530-Q532 PolarHBondContact O-N 2.83Å; S530-S533 PolarHBondContact N-OG 3.18Å; S530-S533 PolarHBondContact O-N 3.13Å; S530-S533 VanDerWaalsContact O-N 3.11Å; S530-S533 PolarHBondContact O-OG 3.27Å; S530-S533 PolarHBondContact OG-N 3.13Å; S530-S533 VanDerWaalsContact OG-N 3.12Å; S530-D534 PolarHBondContact O-N 3.47Å
531	F	94.9	Very high	90.5	Very high	50 Å²	50	38.9 Å²	38.9	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-56.4	-35.8	169.2	-61.1	-35.7	0	0	0	111.3	H464 I469 D534 V535 L602	H464-F531 HydrophobicContact CB-CD1 4Å; H464-F531 HydrophobicContact CB-CE1 4.05Å; H464-F531 HydrophobicContact CB-CG 4.48Å; H464-F531 AromaticContact CD2-CD1 3.62Å; H464-F531 VanDerWaalsContact CE1-CA 3.42Å; H464-F531 WeakPolarHBondContact CE1-CA 3.37Å; H464-F531 AromaticContact CE1-CD1 3.62Å; H464-F531 AromaticContact CE1-CG 3.91Å; H464-F531 PolarHBondContact CE1-O 3.14Å; H464-F531 AromaticContact CG-CD1 3.43Å; H464-F531 VanDerWaalsContact CG-CD1 3.43Å; H464-F531 AromaticContact CG-CE1 3.9Å; H464-F531 AromaticContact CG-CG 3.99Å; H464-F531 WeakPolarHBondContact ND1-CB 3.44Å; H464-F531 AromaticContact ND1-CD1 3.42Å; H464-F531 WeakPolarHBondContact ND1-CD1 3.32Å; H464-F531 AromaticContact ND1-CG 3.56Å; H464-F531 AromaticContact NE2-CD1 3.72Å; I469-F531 HydrophobicContact CG1-CD1 3.83Å; I469-F531 HydrophobicContact CG1-CE1 3.83Å; F531-D534 PolarHBondContact O-N 3.02Å; F531-V535 WeakPolarHBondContact O-CG2 3.47Å; F531-V535 PolarHBondContact O-N 3.34Å; F531-L602 HydrophobicContact CB-CD2 3.89Å
532	Q	96.8	Very high	90.9	Very high	55 Å²	55	38.1 Å²	38.1	26%	0.257	19%	0.187	S	C	.	.	H	α-helix	trans	-70.6	-28.2	178.5	-65	80.5	-1.8	0	0	113	S530 Y536 K597 R600 L602	S530-Q532 PolarHBondContact O-N 2.83Å; Q532-Y536 PolarHBondContact O-N 3.15Å; Q532-Y536 VanDerWaalsContact O-N 3.15Å; Q532-K597 HydrophobicContact CB-CB 3.83Å; Q532-K597 VanDerWaalsContact CG-O 3.3Å; Q532-K597 WeakPolarHBondContact CG-O 3.48Å; Q532-R600 VanDerWaalsContact O-CD 3.29Å; Q532-R600 WeakPolarHBondContact O-CD 3.41Å; Q532-R600 PolarHBondContact O-NH1 3.5Å; Q532-L602 HydrophobicContact CG-CD2 4.45Å
533	S	94.6	Very high	91.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-71.7	-42.3	172.5	66.9	0	0	0	0	111.4	S530 V535 Y536 S537	S530-S533 PolarHBondContact N-OG 3.18Å; S530-S533 PolarHBondContact O-N 3.13Å; S530-S533 VanDerWaalsContact O-N 3.11Å; S530-S533 PolarHBondContact O-OG 3.27Å; S530-S533 PolarHBondContact OG-N 3.13Å; S530-S533 VanDerWaalsContact OG-N 3.12Å; S533-V535 VanDerWaalsContact C-N 3.27Å; S533-V535 PolarHBondContact O-N 3.29Å; S533-Y536 WeakPolarHBondContact O-CB 3.16Å; S533-Y536 PolarHBondContact O-N 2.69Å; S533-Y536 VanDerWaalsContact O-N 3.14Å; S533-S537 PolarHBondContact O-N 3.44Å; S533-S537 VanDerWaalsContact O-N 3.08Å; S533-S537 PolarHBondContact O-OG 3.29Å
534	D	96.2	Very high	92	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.1	-38.6	172.5	-78.3	-4.5	0	0	0	111.8	M460 H464 I469 H470 R471 S530 F531 S537 Y538 F603	M460-D534 HydrophobicContact CE-CB 3.81Å; M460-D534 WeakPolarHBondContact CE-OD2 3.44Å; H464-D534 IonicContact CD2-OD2 3.64Å; H464-D534 IonicContact CE1-OD2 2.68Å; H464-D534 IonicContact NE2-OD2 3.2Å; H464-D534 PolarHBondContact NE2-OD2 3.33Å; I469-D534 WeakPolarHBondContact CA-OD2 3.39Å; I469-D534 WeakPolarHBondContact CG2-OD1 3.22Å; I469-D534 WeakPolarHBondContact CG2-OD2 3.47Å; H470-D534 PolarHBondContact N-OD1 2.93Å; H470-D534 PolarHBondContact N-OD2 3.5Å; R471-D534 PolarHBondContact N-OD1 3.12Å; S530-D534 PolarHBondContact O-N 3.47Å; F531-D534 PolarHBondContact O-N 3.02Å; D534-S537 PolarHBondContact O-N 2.84Å; D534-Y538 WeakPolarHBondContact O-CB 3.23Å; D534-Y538 PolarHBondContact O-N 3.07Å; D534-F603 HydrophobicContact CB-CE2 4.49Å
535	V	98.4	Very high	92.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.5	-39.3	175.2	165.3	0	0	0	0	112.1	F531 S533 Y538 G539 C592 R600 P601 F603 I606	F531-V535 WeakPolarHBondContact O-CG2 3.47Å; F531-V535 PolarHBondContact O-N 3.34Å; S533-V535 VanDerWaalsContact C-N 3.27Å; S533-V535 PolarHBondContact O-N 3.29Å; V535-Y538 PolarHBondContact O-N 3.01Å; V535-G539 PolarHBondContact O-N 3.07Å; V535-C592 HydrophobicContact CG1-CB 4Å; V535-R600 HydrophobicContact CG1-CB 4.02Å; V535-P601 WeakPolarHBondContact CG1-O 3.47Å; V535-P601 WeakPolarHBondContact CG2-O 3.26Å; V535-F603 HydrophobicContact CB-CE2 4.48Å; V535-F603 HydrophobicContact CG2-CD2 3.8Å; V535-F603 HydrophobicContact CG2-CE2 3.46Å; V535-F603 VanDerWaalsContact CG2-CE2 3.46Å; V535-F603 HydrophobicContact CG2-CZ 4.06Å; V535-I606 HydrophobicContact CB-CD1 4.46Å; V535-I606 HydrophobicContact CG1-CD1 3.87Å; V535-I606 HydrophobicContact CG2-CD1 3.87Å
536	Y	97.7	Very high	93.7	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-63.1	-47	174.8	-179.5	-81.4	0	0	0	110.6	M516 A517 P518 Q532 S533 Y538 G539 I540 Y552 I593	M516-Y536 VanDerWaalsContact O-CE1 3.26Å; M516-Y536 WeakPolarHBondContact O-CE1 3.16Å; A517-Y536 VanDerWaalsContact CA-CD1 3.45Å; A517-Y536 HydrophobicContact CB-CD1 3.85Å; A517-Y536 HydrophobicContact CB-CD2 4.38Å; A517-Y536 HydrophobicContact CB-CG 3.73Å; P518-Y536 HydrophobicContact CG-CE2 4.27Å; Q532-Y536 PolarHBondContact O-N 3.15Å; Q532-Y536 VanDerWaalsContact O-N 3.15Å; S533-Y536 WeakPolarHBondContact O-CB 3.16Å; S533-Y536 PolarHBondContact O-N 2.69Å; S533-Y536 VanDerWaalsContact O-N 3.14Å; Y536-Y538 VanDerWaalsContact C-N 3.33Å; Y536-Y538 PolarHBondContact O-N 3.24Å; Y536-G539 CarbonylContact O-C 3.34Å; Y536-G539 VanDerWaalsContact O-CA 3.29Å; Y536-G539 WeakPolarHBondContact O-CA 3.41Å; Y536-G539 PolarHBondContact O-N 3.3Å; Y536-I540 HydrophobicContact CD1-CG1 4.21Å; Y536-I540 HydrophobicContact CE1-CD1 4.08Å; Y536-I540 HydrophobicContact CE1-CG1 3.86Å; Y536-I540 PolarHBondContact O-N 2.89Å; Y536-Y552 PolarHBondContact OH-OH 2.97Å; Y536-I593 HydrophobicContact CD2-CB 4.33Å; Y536-I593 HydrophobicContact CE2-CB 4.08Å; Y536-I593 WeakPolarHBondContact CE2-O 3.37Å
537	S	97.1	Very high	94.9	Very high	10 Å²	10	14.5 Å²	14.5	7%	0.07	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-41.7	177.3	-54.7	0	0	0	0	112.2	M473 W515 S533 D534 G539 I540 V541	M473-S537 WeakPolarHBondContact O-CB 3.35Å; W515-S537 WeakPolarHBondContact O-CA 3.11Å; W515-S537 VanDerWaalsContact O-CB 3.3Å; W515-S537 WeakPolarHBondContact O-CB 3.25Å; W515-S537 PolarHBondContact O-OG 3.48Å; S533-S537 PolarHBondContact O-N 3.44Å; S533-S537 VanDerWaalsContact O-N 3.08Å; S533-S537 PolarHBondContact O-OG 3.29Å; D534-S537 PolarHBondContact O-N 2.84Å; S537-G539 VanDerWaalsContact C-N 3.32Å; S537-G539 PolarHBondContact O-N 2.76Å; S537-I540 WeakPolarHBondContact O-CB 3.39Å; S537-I540 PolarHBondContact O-N 3.1Å; S537-I540 VanDerWaalsContact O-N 3.14Å; S537-V541 PolarHBondContact O-N 2.97Å; S537-V541 VanDerWaalsContact O-N 3.08Å
538	Y	98.4	Very high	95.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.4	-33.9	170.1	173	-100.7	0	0	0	112.8	A453 T456 M473 D534 V535 Y536 I540 V541 L542 F603 I606 I610	A453-Y538 PolarHBondContact O-OH 2.68Å; T456-Y538 HydrophobicContact CG2-CD2 3.77Å; T456-Y538 HydrophobicContact CG2-CE2 3.64Å; M473-Y538 HydrophobicContact CE-CD2 4.11Å; D534-Y538 WeakPolarHBondContact O-CB 3.23Å; D534-Y538 PolarHBondContact O-N 3.07Å; V535-Y538 PolarHBondContact O-N 3.01Å; Y536-Y538 VanDerWaalsContact C-N 3.33Å; Y536-Y538 PolarHBondContact O-N 3.24Å; Y538-I540 VanDerWaalsContact C-N 3.26Å; Y538-I540 PolarHBondContact O-N 2.94Å; Y538-V541 CarbonylContact O-C 3.55Å; Y538-V541 PolarHBondContact O-N 3.37Å; Y538-V541 VanDerWaalsContact O-N 3.14Å; Y538-L542 HydrophobicContact CD1-CD1 4.15Å; Y538-L542 HydrophobicContact CD1-CG 4.24Å; Y538-L542 HydrophobicContact CE1-CD1 3.54Å; Y538-L542 HydrophobicContact CE1-CD2 4.17Å; Y538-L542 HydrophobicContact CE1-CG 3.71Å; Y538-L542 HydrophobicContact CE2-CD2 4.46Å; Y538-L542 HydrophobicContact CE2-CG 4.44Å; Y538-L542 PolarHBondContact O-N 3.35Å; Y538-F603 AromaticContact CD1-CE1 3.69Å; Y538-F603 HydrophobicContact CD1-CE1 3.69Å; Y538-F603 HydrophobicContact CD1-CZ 4.06Å; Y538-F603 HydrophobicContact CD2-CE1 4.09Å; Y538-F603 HydrophobicContact CD2-CZ 4.45Å; Y538-F603 HydrophobicContact CE1-CE1 4.09Å; Y538-F603 HydrophobicContact CE2-CE1 4.45Å; Y538-F603 AromaticContact CG-CE1 3.68Å; Y538-F603 HydrophobicContact CG-CE1 3.68Å; Y538-F603 AromaticContact CG-CZ 3.82Å; Y538-F603 HydrophobicContact CG-CZ 3.82Å; Y538-I606 HydrophobicContact CD1-CD1 4.36Å; Y538-I606 HydrophobicContact CD1-CG2 4.38Å; Y538-I606 HydrophobicContact CE1-CG2 3.55Å; Y538-I610 WeakPolarHBondContact OH-CD1 3.24Å
539	G	98.1	Very high	96	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-61.6	-31	170.4	0	0	0	0	0	113.5	V535 Y536 S537 F543	V535-G539 PolarHBondContact O-N 3.07Å; Y536-G539 CarbonylContact O-C 3.34Å; Y536-G539 VanDerWaalsContact O-CA 3.29Å; Y536-G539 WeakPolarHBondContact O-CA 3.41Å; Y536-G539 PolarHBondContact O-N 3.3Å; S537-G539 VanDerWaalsContact C-N 3.32Å; S537-G539 PolarHBondContact O-N 2.76Å; G539-F543 PolarHBondContact O-N 2.89Å
540	I	98	Very high	96.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-74.4	-38.1	170.7	-57.3	-61	0	0	0	111.2	W515 Y536 S537 Y538 L542 F543 E544 P551 P572 I593	W515-I540 HydrophobicContact CD2-CG2 4.44Å; W515-I540 HydrophobicContact CG-CB 4.3Å; W515-I540 HydrophobicContact CG-CG2 4.02Å; Y536-I540 HydrophobicContact CD1-CG1 4.21Å; Y536-I540 HydrophobicContact CE1-CD1 4.08Å; Y536-I540 HydrophobicContact CE1-CG1 3.86Å; Y536-I540 PolarHBondContact O-N 2.89Å; S537-I540 WeakPolarHBondContact O-CB 3.39Å; S537-I540 PolarHBondContact O-N 3.1Å; S537-I540 VanDerWaalsContact O-N 3.14Å; Y538-I540 VanDerWaalsContact C-N 3.26Å; Y538-I540 PolarHBondContact O-N 2.94Å; I540-L542 VanDerWaalsContact C-N 3.31Å; I540-L542 PolarHBondContact O-N 2.86Å; I540-F543 WeakPolarHBondContact O-CA 3.47Å; I540-F543 VanDerWaalsContact O-CB 3.25Å; I540-F543 WeakPolarHBondContact O-CB 3.5Å; I540-F543 PolarHBondContact O-N 3.14Å; I540-E544 WeakPolarHBondContact O-CG 3.47Å; I540-E544 PolarHBondContact O-N 3.48Å; I540-P551 HydrophobicContact CG2-CG 3.84Å; I540-P572 HydrophobicContact CD1-CG 3.47Å; I540-P572 VanDerWaalsContact CD1-CG 3.47Å; I540-I593 HydrophobicContact CD1-CG2 4.04Å
541	V	98.3	Very high	96.3	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-37.9	171.1	177.3	0	0	0	0	111.8	L433 I478 S537 Y538 F543 E544 L545	L433-V541 HydrophobicContact CD2-CG1 3.89Å; I478-V541 HydrophobicContact CD1-CB 4.44Å; I478-V541 HydrophobicContact CD1-CG1 3.69Å; I478-V541 HydrophobicContact CD1-CG2 4Å; S537-V541 PolarHBondContact O-N 2.97Å; S537-V541 VanDerWaalsContact O-N 3.08Å; Y538-V541 CarbonylContact O-C 3.55Å; Y538-V541 PolarHBondContact O-N 3.37Å; Y538-V541 VanDerWaalsContact O-N 3.14Å; V541-F543 VanDerWaalsContact C-N 3.3Å; V541-F543 PolarHBondContact O-N 3.21Å; V541-E544 WeakPolarHBondContact CA-OE1 3.49Å; V541-E544 PolarHBondContact O-N 3.12Å; V541-L545 HydrophobicContact CG1-CD1 4.11Å; V541-L545 WeakPolarHBondContact O-CB 3.44Å; V541-L545 WeakPolarHBondContact O-CG 3.49Å; V541-L545 PolarHBondContact O-N 2.88Å
542	L	98.3	Very high	96.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-65	-31.7	170.6	-74.6	-176.2	0	0	0	112.9	A453 Y538 I540 M546 M585 L588 V589	A453-L542 HydrophobicContact CB-CD2 3.61Å; Y538-L542 HydrophobicContact CD1-CD1 4.15Å; Y538-L542 HydrophobicContact CD1-CG 4.24Å; Y538-L542 HydrophobicContact CE1-CD1 3.54Å; Y538-L542 HydrophobicContact CE1-CD2 4.17Å; Y538-L542 HydrophobicContact CE1-CG 3.71Å; Y538-L542 HydrophobicContact CE2-CD2 4.46Å; Y538-L542 HydrophobicContact CE2-CG 4.44Å; Y538-L542 PolarHBondContact O-N 3.35Å; I540-L542 VanDerWaalsContact C-N 3.31Å; I540-L542 PolarHBondContact O-N 2.86Å; L542-M546 VanDerWaalsContact O-CB 3.31Å; L542-M546 WeakPolarHBondContact O-CB 3.3Å; L542-M546 WeakPolarHBondContact O-CG 3.32Å; L542-M546 PolarHBondContact O-N 3.33Å; L542-M585 HydrophobicContact CD1-SD 4.34Å; L542-M585 HydrophobicContact CD2-CE 4.32Å; L542-M585 HydrophobicContact CD2-SD 4.03Å; L542-L588 HydrophobicContact CD1-CD2 4.3Å; L542-L588 HydrophobicContact CD1-CG 4.13Å; L542-V589 HydrophobicContact CB-CG1 4.31Å; L542-V589 HydrophobicContact CB-CG2 3.86Å; L542-V589 HydrophobicContact CD1-CG2 4.38Å
543	F	97.6	Very high	95.7	Very high	3 Å²	3	12 Å²	12	1%	0.013	8%	0.075	C	C	.	.	H	α-helix	trans	-64.7	-54.6	172.6	-179.9	-88.2	0	0	0	110	G539 I540 V541 L545 M546 T547 E549 P551 P572 D573 L574 L577 V589	G539-F543 PolarHBondContact O-N 2.89Å; I540-F543 WeakPolarHBondContact O-CA 3.47Å; I540-F543 VanDerWaalsContact O-CB 3.25Å; I540-F543 WeakPolarHBondContact O-CB 3.5Å; I540-F543 PolarHBondContact O-N 3.14Å; V541-F543 VanDerWaalsContact C-N 3.3Å; V541-F543 PolarHBondContact O-N 3.21Å; F543-L545 VanDerWaalsContact C-N 3.32Å; F543-L545 PolarHBondContact O-N 3.45Å; F543-M546 CarbonylContact O-C 3.55Å; F543-M546 PolarHBondContact O-N 3.16Å; F543-T547 HydrophobicContact CD1-CG2 4.22Å; F543-T547 HydrophobicContact CD2-CG2 4.15Å; F543-T547 HydrophobicContact CE1-CG2 3.93Å; F543-T547 HydrophobicContact CE2-CG2 3.87Å; F543-T547 HydrophobicContact CG-CG2 4.33Å; F543-T547 HydrophobicContact CZ-CG2 3.75Å; F543-T547 PolarHBondContact O-N 3.23Å; F543-T547 PolarHBondContact O-OG1 2.88Å; F543-E549 WeakPolarHBondContact CE1-O 3.45Å; F543-P551 HydrophobicContact CD1-CB 4.19Å; F543-P551 HydrophobicContact CE1-CB 4.04Å; F543-P572 HydrophobicContact CD2-CB 3.55Å; F543-P572 HydrophobicContact CE2-CB 3.56Å; F543-P572 HydrophobicContact CG-CB 4.15Å; F543-P572 HydrophobicContact CZ-CB 4.18Å; F543-D573 VanDerWaalsContact CE2-O 3.32Å; F543-D573 WeakPolarHBondContact CE2-O 3.32Å; F543-L574 HydrophobicContact CD2-CD2 4.33Å; F543-L577 HydrophobicContact CD2-CD1 3.95Å; F543-L577 HydrophobicContact CE2-CD1 4.07Å; F543-V589 HydrophobicContact CB-CG1 4.26Å
544	E	97.3	Very high	95.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-52.1	-47.9	177.8	-63.9	171.7	-95.5	0	0	112	I437 H438 S475 W515 I540 V541 M546 T547 G548 L550	I437-E544 HydrophobicContact CD1-CB 4.1Å; H438-E544 IonicContact CD2-OE2 3.66Å; H438-E544 IonicContact CE1-OE2 2.64Å; H438-E544 IonicContact NE2-OE2 2.7Å; H438-E544 PolarHBondContact NE2-OE2 3.43Å; S475-E544 WeakPolarHBondContact CB-OE2 3.49Å; S475-E544 PolarHBondContact OG-OE1 3.37Å; S475-E544 PolarHBondContact OG-OE2 3.47Å; W515-E544 PolarHBondContact NE1-OE1 2.9Å; I540-E544 WeakPolarHBondContact O-CG 3.47Å; I540-E544 PolarHBondContact O-N 3.48Å; V541-E544 WeakPolarHBondContact CA-OE1 3.49Å; V541-E544 PolarHBondContact O-N 3.12Å; E544-M546 PolarHBondContact O-N 2.98Å; E544-T547 PolarHBondContact O-N 2.83Å; E544-G548 WeakPolarHBondContact O-CA 3.48Å; E544-G548 PolarHBondContact O-N 3.36Å; E544-L550 HydrophobicContact CG-CD2 4.32Å
545	L	97.3	Very high	95	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-62.7	-24	178.1	-77	167.5	0	0	0	114	L433 I437 L449 I452 A453 V541 F543	L433-L545 HydrophobicContact CD1-CD2 4.03Å; L433-L545 HydrophobicContact CD2-CD1 4.46Å; L433-L545 HydrophobicContact CD2-CD2 4.18Å; L433-L545 HydrophobicContact CD2-CG 4.34Å; I437-L545 HydrophobicContact CD1-CD2 4.1Å; I437-L545 HydrophobicContact CD1-CG 4.38Å; L449-L545 HydrophobicContact CD2-CD2 3.66Å; I452-L545 HydrophobicContact CB-CD2 4.49Å; I452-L545 HydrophobicContact CG2-CD1 4.3Å; I452-L545 HydrophobicContact CG2-CD2 4.01Å; A453-L545 HydrophobicContact CB-CD1 4.09Å; V541-L545 HydrophobicContact CG1-CD1 4.11Å; V541-L545 WeakPolarHBondContact O-CB 3.44Å; V541-L545 WeakPolarHBondContact O-CG 3.49Å; V541-L545 PolarHBondContact O-N 2.88Å; F543-L545 VanDerWaalsContact C-N 3.32Å; F543-L545 PolarHBondContact O-N 3.45Å
546	M	96.6	Very high	94.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-109.6	-0	-173.6	-62.7	-68.5	123.1	0	0	113.6	M446 L449 I450 L542 F543 E544 L577 Y578 C581 M585	M446-M546 HydrophobicContact CE-SD 4.28Å; M446-M546 HydrophobicContact SD-CE 4.11Å; M446-M546 HydrophobicContact SD-SD 3.89Å; L449-M546 HydrophobicContact CB-CE 3.76Å; I450-M546 HydrophobicContact CG1-CE 4.2Å; L542-M546 VanDerWaalsContact O-CB 3.31Å; L542-M546 WeakPolarHBondContact O-CB 3.3Å; L542-M546 WeakPolarHBondContact O-CG 3.32Å; L542-M546 PolarHBondContact O-N 3.33Å; F543-M546 CarbonylContact O-C 3.55Å; F543-M546 PolarHBondContact O-N 3.16Å; E544-M546 PolarHBondContact O-N 2.98Å; M546-L577 HydrophobicContact CB-CD2 3.81Å; M546-L577 HydrophobicContact CB-CG 3.78Å; M546-L577 HydrophobicContact CG-CD2 4.47Å; M546-L577 CarbonylContact O-C 3.55Å; M546-L577 VanDerWaalsContact O-CA 3.3Å; M546-L577 WeakPolarHBondContact O-CA 3.34Å; M546-Y578 VanDerWaalsContact O-CD2 3.25Å; M546-Y578 WeakPolarHBondContact O-CD2 3.47Å; M546-Y578 PolarHBondContact O-N 3.27Å; M546-C581 HydrophobicContact SD-CB 4.29Å; M546-C581 PolarHBondContact SD-SG 3.33Å; M546-M585 HydrophobicContact CE-CG 4.49Å; M546-M585 HydrophobicContact CG-CG 4.01Å; M546-M585 HydrophobicContact SD-CG 3.72Å
547	T	94.8	Very high	93.9	Very high	12 Å²	12	28.1 Å²	28.1	7%	0.074	17%	0.172	C	C	.	.	H	α-helix	trans	-125.1	-31.3	175.5	59.1	0	0	0	0	113.4	F543 E544 E549 K576 L577 Y578	F543-T547 HydrophobicContact CD1-CG2 4.22Å; F543-T547 HydrophobicContact CD2-CG2 4.15Å; F543-T547 HydrophobicContact CE1-CG2 3.93Å; F543-T547 HydrophobicContact CE2-CG2 3.87Å; F543-T547 HydrophobicContact CG-CG2 4.33Å; F543-T547 HydrophobicContact CZ-CG2 3.75Å; F543-T547 PolarHBondContact O-N 3.23Å; F543-T547 PolarHBondContact O-OG1 2.88Å; E544-T547 PolarHBondContact O-N 2.83Å; T547-E549 PolarHBondContact OG1-N 3.14Å; T547-E549 PolarHBondContact OG1-O 2.75Å; T547-E549 VanDerWaalsContact OG1-O 3.1Å; T547-K576 HydrophobicContact CG2-CB 3.96Å; T547-L577 HydrophobicContact CG2-CD1 3.88Å; T547-L577 HydrophobicContact CG2-CG 4.14Å; T547-Y578 VanDerWaalsContact C-OH 3.29Å; T547-Y578 WeakPolarHBondContact O-CE1 3.47Å; T547-Y578 PolarHBondContact O-OH 3.17Å
548	G	94.4	Very high	93.4	Very high	27 Å²	27	33.1 Å²	33.1	28%	0.278	19%	0.189	S	C	.	.	S	Bend	trans	75.4	7.1	-164.3	0	0	0	0	0	113.8	E544 Y578	E544-G548 WeakPolarHBondContact O-CA 3.48Å; E544-G548 PolarHBondContact O-N 3.36Å; G548-Y578 WeakPolarHBondContact CA-OH 3.33Å; G548-Y578 PolarHBondContact N-OH 3.43Å
549	E	92.8	Very high	93	Very high	65 Å²	65	37.9 Å²	37.9	30%	0.304	21%	0.214	S	C	.	.	S	Bend	trans	-123	147.5	-176.8	-77.9	-168.1	-128.9	0	0	112.2	F543 T547 S553 K576	F543-E549 WeakPolarHBondContact CE1-O 3.45Å; T547-E549 PolarHBondContact OG1-N 3.14Å; T547-E549 PolarHBondContact OG1-O 2.75Å; T547-E549 VanDerWaalsContact OG1-O 3.1Å; E549-S553 PolarHBondContact OE2-OG 2.93Å; E549-K576 WeakPolarHBondContact OE1-CD 3.36Å; E549-K576 IonicContact OE1-NZ 2.62Å; E549-K576 PolarHBondContact OE1-NZ 2.89Å; E549-K576 IonicContact OE2-NZ 3.81Å; E549-K576 PolarHBondContact OE2-NZ 3.11Å
550	L	93.3	Very high	92.7	Very high	41 Å²	41	42.2 Å²	42.2	22%	0.215	23%	0.234	C	C	.	.			trans	-66.7	146.2	160.6	-68.9	175.4	0	0	0	111.1	Y434 L514 W515 E544	Y434-L550 HydrophobicContact CE2-CD1 4.1Å; Y434-L550 HydrophobicContact CE2-CD2 4.07Å; L514-L550 HydrophobicContact CD1-CB 4.21Å; L514-L550 HydrophobicContact CD1-CD1 4.11Å; L514-L550 HydrophobicContact CD1-CD2 4.19Å; L514-L550 HydrophobicContact CD1-CG 4.41Å; W515-L550 HydrophobicContact CH2-CD2 3.72Å; W515-L550 HydrophobicContact CZ2-CD2 3.76Å; E544-L550 HydrophobicContact CG-CD2 4.32Å
551	P	92.4	Very high	92.3	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	153.4	175.9	32.8	-38.8	0	0	0	111	L514 I540 F543 S553 P572	L514-P551 HydrophobicContact CB-CG 3.97Å; I540-P551 HydrophobicContact CG2-CG 3.84Å; F543-P551 HydrophobicContact CD1-CB 4.19Å; F543-P551 HydrophobicContact CE1-CB 4.04Å; P551-S553 VanDerWaalsContact C-N 3.28Å; P551-S553 PolarHBondContact O-N 3.49Å; P551-P572 HydrophobicContact CB-CB 4.29Å; P551-P572 HydrophobicContact CB-CG 4.27Å
552	Y	92.1	Very high	91.9	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.039	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	25	176	-31.6	-56.1	0	0	0	115	L514 Y536 H554 I555 I561 V565 L570 P572	L514-Y552 HydrophobicContact CD2-CD2 3.83Å; L514-Y552 HydrophobicContact CD2-CE2 4.44Å; Y536-Y552 PolarHBondContact OH-OH 2.97Å; Y552-H554 PolarHBondContact O-N 3.21Å; Y552-I555 PolarHBondContact O-N 3.01Å; Y552-I561 HydrophobicContact CD2-CD1 4.37Å; Y552-I561 HydrophobicContact CD2-CG2 3.62Å; Y552-I561 HydrophobicContact CE2-CG2 3.94Å; Y552-I561 HydrophobicContact CG-CG2 4.34Å; Y552-V565 HydrophobicContact CE1-CG2 4.4Å; Y552-V565 HydrophobicContact CE2-CG2 4.02Å; Y552-L570 HydrophobicContact CD1-CD1 3.89Å; Y552-L570 HydrophobicContact CD1-CD2 3.56Å; Y552-L570 HydrophobicContact CD1-CG 3.59Å; Y552-L570 HydrophobicContact CD2-CD2 4.5Å; Y552-L570 HydrophobicContact CE1-CD1 4.18Å; Y552-L570 HydrophobicContact CE1-CD2 3.89Å; Y552-L570 HydrophobicContact CE1-CG 3.58Å; Y552-L570 HydrophobicContact CG-CD2 3.9Å; Y552-L570 HydrophobicContact CG-CG 4.43Å; Y552-P572 HydrophobicContact CE1-CG 4.28Å; Y552-P572 WeakPolarHBondContact OH-CD 3.5Å
553	S	87	Confident	91.5	Very high	73 Å²	73	49.6 Å²	49.6	51%	0.51	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-10.2	179	49.7	0	0	0	0	116.4	E549 P551	E549-S553 PolarHBondContact OE2-OG 2.93Å; P551-S553 VanDerWaalsContact C-N 3.28Å; P551-S553 PolarHBondContact O-N 3.49Å
554	H	86.1	Confident	91.3	Very high	131 Å²	131	51.8 Å²	51.8	61%	0.606	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	0.7	174	61.6	-88.4	0	0	0	114.5	Y552	Y552-H554 PolarHBondContact O-N 3.21Å
555	I	88.7	Confident	91.1	Very high	21 Å²	21	51.9 Å²	51.9	11%	0.108	28%	0.28	C	S	.	.			trans	-120	107	-179.2	-51.8	-177	0	0	0	109.8	Y552 Q560 I561 L570	Y552-I555 PolarHBondContact O-N 3.01Å; I555-Q560 HydrophobicContact CG2-CB 4.21Å; I555-Q560 HydrophobicContact CG2-CG 4.08Å; I555-I561 HydrophobicContact CB-CD1 4.24Å; I555-I561 HydrophobicContact CB-CG1 4.02Å; I555-I561 HydrophobicContact CD1-CG1 4.5Å; I555-I561 HydrophobicContact CG2-CD1 4.31Å; I555-I561 HydrophobicContact CG2-CG1 3.77Å; I555-L570 HydrophobicContact CD1-CD1 4.26Å; I555-L570 HydrophobicContact CD1-CD2 3.66Å
556	A	84.9	Confident	90.8	Very high	111 Å²	111	52 Å²	52	92%	0.917	28%	0.281	S	S	*	.			trans	-75.8	-23.9	178	0	0	0	0	0	113.8	R558	A556-R558 PolarHBondContact O-N 3.34Å
557	N	88.9	Confident	90.4	Very high	82 Å²	82	59.7 Å²	59.7	44%	0.439	31%	0.31	S	S	.	.			trans	-85.9	113.5	-175.3	-175.3	-30.2	0	0	0	111.8	D559 Q560 I561	N557-D559 PolarHBondContact O-N 3.2Å; N557-D559 PolarHBondContact OD1-N 3.13Å; N557-Q560 HydrophobicContact CB-CB 3.82Å; N557-Q560 WeakPolarHBondContact O-CB 3.47Å; N557-Q560 PolarHBondContact O-N 3.31Å; N557-Q560 PolarHBondContact OD1-N 3.16Å; N557-Q560 VanDerWaalsContact OD1-N 3.12Å; N557-I561 PolarHBondContact O-N 2.91Å
558	R	87.1	Confident	90	Very high	115 Å²	115	60.1 Å²	60.1	43%	0.434	32%	0.317	S	S	.	.	H	α-helix	trans	-54.3	-47.9	176.8	-176.1	-169.9	175.8	-167.8	-4	112.9	P509 I513 A556 Q560 I561 I562	P509-R558 PolarHBondContact O-NH2 3.47Å; I513-R558 HydrophobicContact CD1-CB 4.42Å; I513-R558 HydrophobicContact CD1-CG 3.55Å; I513-R558 HydrophobicContact CG1-CG 4.29Å; A556-R558 PolarHBondContact O-N 3.34Å; R558-Q560 VanDerWaalsContact C-N 3.32Å; R558-Q560 PolarHBondContact O-N 3.08Å; R558-I561 WeakPolarHBondContact O-CB 3.23Å; R558-I561 PolarHBondContact O-N 3.27Å; R558-I561 VanDerWaalsContact O-N 3.14Å; R558-I562 HydrophobicContact CG-CD1 4.13Å; R558-I562 WeakPolarHBondContact O-CG1 3.21Å; R558-I562 PolarHBondContact O-N 3.25Å
559	D	88.6	Confident	89.7	Confident	100 Å²	100	66.6 Å²	66.6	54%	0.535	33%	0.333	S	S	.	.	H	α-helix	trans	-74.4	-28.6	-173	-58	-30.3	0	0	0	111.5	N557 I562 F563	N557-D559 PolarHBondContact O-N 3.2Å; N557-D559 PolarHBondContact OD1-N 3.13Å; D559-I562 PolarHBondContact O-N 3.49Å; D559-F563 VanDerWaalsContact O-CB 3.3Å; D559-F563 WeakPolarHBondContact O-CB 3.22Å; D559-F563 PolarHBondContact O-N 3.03Å
560	Q	91.8	Very high	89.5	Confident	90 Å²	90	64 Å²	64	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-43.6	167.7	-176.6	178.9	-1.4	0	0	111.4	I555 N557 R558 M564	I555-Q560 HydrophobicContact CG2-CB 4.21Å; I555-Q560 HydrophobicContact CG2-CG 4.08Å; N557-Q560 HydrophobicContact CB-CB 3.82Å; N557-Q560 WeakPolarHBondContact O-CB 3.47Å; N557-Q560 PolarHBondContact O-N 3.31Å; N557-Q560 PolarHBondContact OD1-N 3.16Å; N557-Q560 VanDerWaalsContact OD1-N 3.12Å; R558-Q560 VanDerWaalsContact C-N 3.32Å; R558-Q560 PolarHBondContact O-N 3.08Å; Q560-M564 HydrophobicContact CG-CG 4.33Å; Q560-M564 HydrophobicContact CG-SD 3.62Å; Q560-M564 VanDerWaalsContact O-CB 3.29Å; Q560-M564 WeakPolarHBondContact O-CB 3.45Å; Q560-M564 VanDerWaalsContact O-CG 3.23Å; Q560-M564 WeakPolarHBondContact O-CG 3.22Å; Q560-M564 PolarHBondContact O-N 3.2Å
561	I	90.3	Very high	89.4	Confident	11 Å²	11	63.3 Å²	63.3	6%	0.056	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-49.2	174.9	-62.5	170	0	0	0	110.2	I513 L514 Y552 I555 N557 R558 F563 M564 V565 L570	I513-I561 HydrophobicContact CD1-CB 3.95Å; I513-I561 HydrophobicContact CD1-CG2 3.91Å; L514-I561 HydrophobicContact CD2-CD1 4.22Å; Y552-I561 HydrophobicContact CD2-CD1 4.37Å; Y552-I561 HydrophobicContact CD2-CG2 3.62Å; Y552-I561 HydrophobicContact CE2-CG2 3.94Å; Y552-I561 HydrophobicContact CG-CG2 4.34Å; I555-I561 HydrophobicContact CB-CD1 4.24Å; I555-I561 HydrophobicContact CB-CG1 4.02Å; I555-I561 HydrophobicContact CD1-CG1 4.5Å; I555-I561 HydrophobicContact CG2-CD1 4.31Å; I555-I561 HydrophobicContact CG2-CG1 3.77Å; N557-I561 PolarHBondContact O-N 2.91Å; R558-I561 WeakPolarHBondContact O-CB 3.23Å; R558-I561 PolarHBondContact O-N 3.27Å; R558-I561 VanDerWaalsContact O-N 3.14Å; I561-F563 PolarHBondContact O-N 3.06Å; I561-M564 PolarHBondContact O-N 3.09Å; I561-V565 HydrophobicContact CG2-CG2 3.96Å; I561-V565 WeakPolarHBondContact O-CB 3.26Å; I561-V565 VanDerWaalsContact O-CG2 3.32Å; I561-V565 WeakPolarHBondContact O-CG2 3.38Å; I561-V565 PolarHBondContact O-N 2.58Å; I561-L570 HydrophobicContact CG2-CD2 4.44Å
562	I	90.4	Very high	89.3	Confident	31 Å²	31	63.4 Å²	63.4	16%	0.159	32%	0.32	C	S	.	.	H	α-helix	trans	-52.4	-54.6	176.4	-68	172.5	0	0	0	110.2	I513 I521 R558 D559 M564 G566	I513-I562 HydrophobicContact CB-CG1 4.42Å; I513-I562 HydrophobicContact CD1-CD1 4.49Å; I513-I562 HydrophobicContact CD1-CG1 3.87Å; I513-I562 HydrophobicContact CG2-CD1 4.1Å; I513-I562 HydrophobicContact CG2-CG1 4.07Å; I521-I562 HydrophobicContact CG2-CG2 3.81Å; I521-I562 WeakPolarHBondContact CG2-O 3.29Å; R558-I562 HydrophobicContact CG-CD1 4.13Å; R558-I562 WeakPolarHBondContact O-CG1 3.21Å; R558-I562 PolarHBondContact O-N 3.25Å; D559-I562 PolarHBondContact O-N 3.49Å; I562-M564 PolarHBondContact O-N 3.46Å; I562-G566 PolarHBondContact O-N 2.93Å
563	F	90.3	Very high	89.2	Confident	113 Å²	113	64.6 Å²	64.6	50%	0.496	33%	0.328	S	S	.	.	H	α-helix	trans	-62.1	-46.7	-178.6	-179	-97.2	0	0	0	112.4	D559 I561 R567	D559-F563 VanDerWaalsContact O-CB 3.3Å; D559-F563 WeakPolarHBondContact O-CB 3.22Å; D559-F563 PolarHBondContact O-N 3.03Å; I561-F563 PolarHBondContact O-N 3.06Å; F563-R567 HydrophobicContact CD2-CG 4.36Å; F563-R567 HydrophobicContact CE1-CG 4.3Å; F563-R567 HydrophobicContact CE2-CG 4.14Å; F563-R567 HydrophobicContact CZ-CG 4.1Å; F563-R567 VanDerWaalsContact O-CB 3.22Å; F563-R567 WeakPolarHBondContact O-CB 3.36Å; F563-R567 WeakPolarHBondContact O-CG 3.3Å; F563-R567 PolarHBondContact O-N 2.68Å
564	M	93.1	Very high	89.3	Confident	49 Å²	49	61.6 Å²	61.6	24%	0.241	31%	0.306	C	S	.	.	H	α-helix	trans	-73.4	-37.4	-175.7	-66.7	178.1	63.4	0	0	113	Q560 I561 I562 G568 R569 L570	Q560-M564 HydrophobicContact CG-CG 4.33Å; Q560-M564 HydrophobicContact CG-SD 3.62Å; Q560-M564 VanDerWaalsContact O-CB 3.29Å; Q560-M564 WeakPolarHBondContact O-CB 3.45Å; Q560-M564 VanDerWaalsContact O-CG 3.23Å; Q560-M564 WeakPolarHBondContact O-CG 3.22Å; Q560-M564 PolarHBondContact O-N 3.2Å; I561-M564 PolarHBondContact O-N 3.09Å; I562-M564 PolarHBondContact O-N 3.46Å; M564-G568 PolarHBondContact O-N 2.66Å; M564-R569 HydrophobicContact CB-CB 4.45Å; M564-R569 WeakPolarHBondContact O-CA 3.14Å; M564-R569 PolarHBondContact O-N 3.06Å; M564-L570 HydrophobicContact CB-CB 3.66Å; M564-L570 HydrophobicContact CB-CD2 4.23Å; M564-L570 HydrophobicContact CE-CB 4.36Å; M564-L570 PolarHBondContact O-N 3.43Å; M564-L570 VanDerWaalsContact O-N 3.07Å
565	V	92.5	Very high	89.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.012	30%	0.298	C	S	.	.	H	α-helix	trans	-71.2	-45.7	174.6	-180	0	0	0	0	110.4	P518 I521 Y552 I561 R567 G568 L570	P518-V565 HydrophobicContact CG-CG1 4.06Å; I521-V565 HydrophobicContact CD1-CB 3.9Å; I521-V565 HydrophobicContact CD1-CG1 3.66Å; Y552-V565 HydrophobicContact CE1-CG2 4.4Å; Y552-V565 HydrophobicContact CE2-CG2 4.02Å; I561-V565 HydrophobicContact CG2-CG2 3.96Å; I561-V565 WeakPolarHBondContact O-CB 3.26Å; I561-V565 VanDerWaalsContact O-CG2 3.32Å; I561-V565 WeakPolarHBondContact O-CG2 3.38Å; I561-V565 PolarHBondContact O-N 2.58Å; V565-R567 PolarHBondContact O-N 2.65Å; V565-G568 WeakPolarHBondContact O-CA 3.46Å; V565-G568 PolarHBondContact O-N 3.38Å; V565-L570 HydrophobicContact CG2-CB 4.03Å; V565-L570 HydrophobicContact CG2-CD2 3.98Å; V565-L570 HydrophobicContact CG2-CG 4.16Å
566	G	90.1	Very high	89.4	Confident	4 Å²	4	61 Å²	61	4%	0.041	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-45.7	177.4	0	0	0	0	0	112.5	R522 I562 G568	R522-G566 VanDerWaalsContact CD-O 3.22Å; R522-G566 WeakPolarHBondContact CD-O 3.42Å; R522-G566 PolarHBondContact NH1-O 2.9Å; R522-G566 VanDerWaalsContact NH1-O 3.11Å; I562-G566 PolarHBondContact O-N 2.93Å; G566-G568 PolarHBondContact O-N 3.44Å
567	R	89.4	Confident	89.7	Confident	162 Å²	162	55.9 Å²	55.9	61%	0.611	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-0.3	173.2	-67.5	-66.4	-172.4	-171.3	-1.1	114.5	F563 V565 R569	F563-R567 HydrophobicContact CD2-CG 4.36Å; F563-R567 HydrophobicContact CE1-CG 4.3Å; F563-R567 HydrophobicContact CE2-CG 4.14Å; F563-R567 HydrophobicContact CZ-CG 4.1Å; F563-R567 VanDerWaalsContact O-CB 3.22Å; F563-R567 WeakPolarHBondContact O-CB 3.36Å; F563-R567 WeakPolarHBondContact O-CG 3.3Å; F563-R567 PolarHBondContact O-N 2.68Å; V565-R567 PolarHBondContact O-N 2.65Å; R567-R569 HydrophobicContact CB-CG 4.26Å; R567-R569 PolarHBondContact O-N 3.03Å
568	G	86.5	Confident	89.7	Confident	21 Å²	21	56.2 Å²	56.2	22%	0.216	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	27	-179	0	0	0	0	0	114.1	M564 V565 G566 K595	M564-G568 PolarHBondContact O-N 2.66Å; V565-G568 WeakPolarHBondContact O-CA 3.46Å; V565-G568 PolarHBondContact O-N 3.38Å; G566-G568 PolarHBondContact O-N 3.44Å; G568-K595 WeakPolarHBondContact O-CE 3.48Å; G568-K595 PolarHBondContact O-NZ 3.43Å
569	R	87.9	Confident	89.7	Confident	164 Å²	164	61.2 Å²	61.2	62%	0.619	29%	0.286	S	S	*	.			trans	-94.4	-13.9	175.2	-66.5	-175.8	176.9	-173.6	-2	113.5	M564 R567	M564-R569 HydrophobicContact CB-CB 4.45Å; M564-R569 WeakPolarHBondContact O-CA 3.14Å; M564-R569 PolarHBondContact O-N 3.06Å; R567-R569 HydrophobicContact CB-CG 4.26Å; R567-R569 PolarHBondContact O-N 3.03Å
570	L	89.3	Confident	89.5	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	29%	0.289	C	S	.	.			trans	-122.8	146.2	176.5	-174.8	60.8	0	0	0	110.4	Y552 I555 I561 M564 V565	Y552-L570 HydrophobicContact CD1-CD1 3.89Å; Y552-L570 HydrophobicContact CD1-CD2 3.56Å; Y552-L570 HydrophobicContact CD1-CG 3.59Å; Y552-L570 HydrophobicContact CD2-CD2 4.5Å; Y552-L570 HydrophobicContact CE1-CD1 4.18Å; Y552-L570 HydrophobicContact CE1-CD2 3.89Å; Y552-L570 HydrophobicContact CE1-CG 3.58Å; Y552-L570 HydrophobicContact CG-CD2 3.9Å; Y552-L570 HydrophobicContact CG-CG 4.43Å; I555-L570 HydrophobicContact CD1-CD1 4.26Å; I555-L570 HydrophobicContact CD1-CD2 3.66Å; I561-L570 HydrophobicContact CG2-CD2 4.44Å; M564-L570 HydrophobicContact CB-CB 3.66Å; M564-L570 HydrophobicContact CB-CD2 4.23Å; M564-L570 HydrophobicContact CE-CB 4.36Å; M564-L570 PolarHBondContact O-N 3.43Å; M564-L570 VanDerWaalsContact O-N 3.07Å; V565-L570 HydrophobicContact CG2-CB 4.03Å; V565-L570 HydrophobicContact CG2-CD2 3.98Å; V565-L570 HydrophobicContact CG2-CG 4.16Å
571	C	89.7	Confident	89.3	Confident	28 Å²	28	57.7 Å²	57.7	19%	0.189	27%	0.271	C	S	.	.			trans	-153	157.3	171.6	56.1	0	0	0	0	109.5
572	P	91.4	Very high	89.2	Confident	5 Å²	5	58.3 Å²	58.3	3%	0.032	28%	0.275	C	S	.	.			trans	-56.2	145.1	-179.7	-26.3	34.3	0	0	0	113.3	I540 F543 P551 Y552 L574 I593	I540-P572 HydrophobicContact CD1-CG 3.47Å; I540-P572 VanDerWaalsContact CD1-CG 3.47Å; F543-P572 HydrophobicContact CD2-CB 3.55Å; F543-P572 HydrophobicContact CE2-CB 3.56Å; F543-P572 HydrophobicContact CG-CB 4.15Å; F543-P572 HydrophobicContact CZ-CB 4.18Å; P551-P572 HydrophobicContact CB-CB 4.29Å; P551-P572 HydrophobicContact CB-CG 4.27Å; Y552-P572 HydrophobicContact CE1-CG 4.28Å; Y552-P572 WeakPolarHBondContact OH-CD 3.5Å; P572-L574 PolarHBondContact O-N 3.23Å; P572-L574 VanDerWaalsContact O-N 3.09Å; P572-I593 HydrophobicContact CB-CD1 4.15Å; P572-I593 HydrophobicContact CG-CD1 3.99Å
573	D	88.7	Confident	88.8	Confident	35 Å²	35	62.2 Å²	62.2	19%	0.187	29%	0.291	C	S	.	.			trans	-77.5	91.1	-177.1	-175.5	-25.3	0	0	0	111	Q204 F543 S575 K576	Q204-D573 PolarHBondContact NE2-OD1 3.02Å; Q204-D573 PolarHBondContact NE2-OD2 3.29Å; Q204-D573 PolarHBondContact OE1-OD1 2.88Å; F543-D573 VanDerWaalsContact CE2-O 3.32Å; F543-D573 WeakPolarHBondContact CE2-O 3.32Å; D573-S575 PolarHBondContact O-N 2.85Å; D573-S575 WeakPolarHBondContact OD1-CB 3.32Å; D573-S575 PolarHBondContact OD1-N 2.86Å; D573-S575 PolarHBondContact OD1-OG 3.26Å; D573-K576 HydrophobicContact CB-CD 4.31Å; D573-K576 HydrophobicContact CB-CG 4.2Å; D573-K576 WeakPolarHBondContact O-CB 3.21Å; D573-K576 PolarHBondContact O-N 3.04Å; D573-K576 PolarHBondContact OD1-N 2.89Å
574	L	89.1	Confident	88.5	Confident	10 Å²	10	58.6 Å²	58.6	5%	0.052	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-71.6	-8.8	-175.8	-64	176.4	0	0	0	114.2	F543 P572 K576 L577 V589 A590 I593	F543-L574 HydrophobicContact CD2-CD2 4.33Å; P572-L574 PolarHBondContact O-N 3.23Å; P572-L574 VanDerWaalsContact O-N 3.09Å; L574-K576 VanDerWaalsContact C-N 3.28Å; L574-L577 HydrophobicContact CB-CD1 4.32Å; L574-L577 HydrophobicContact CD2-CD1 3.67Å; L574-V589 HydrophobicContact CD2-CB 4.42Å; L574-V589 HydrophobicContact CD2-CG1 3.95Å; L574-A590 HydrophobicContact CD1-CB 3.6Å; L574-I593 HydrophobicContact CD1-CD1 4.2Å; L574-I593 HydrophobicContact CD2-CD1 3.81Å; L574-I593 HydrophobicContact CG-CD1 4.2Å
575	S	87.1	Confident	88.4	Confident	63 Å²	63	56.3 Å²	56.3	44%	0.441	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-70.7	-26.8	172.1	79	0	0	0	0	112.2	Q204 D573 L577	Q204-S575 PolarHBondContact OE1-OG 2.89Å; D573-S575 PolarHBondContact O-N 2.85Å; D573-S575 WeakPolarHBondContact OD1-CB 3.32Å; D573-S575 PolarHBondContact OD1-N 2.86Å; D573-S575 PolarHBondContact OD1-OG 3.26Å; S575-L577 VanDerWaalsContact C-N 3.27Å; S575-L577 PolarHBondContact O-N 3.28Å
576	K	89.8	Confident	88.3	Confident	76 Å²	76	57.4 Å²	57.4	33%	0.33	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-68.3	-17	177.2	-70	-168.5	168.8	-147	0	114.8	T547 E549 D573 L574 Y578	T547-K576 HydrophobicContact CG2-CB 3.96Å; E549-K576 WeakPolarHBondContact OE1-CD 3.36Å; E549-K576 IonicContact OE1-NZ 2.62Å; E549-K576 PolarHBondContact OE1-NZ 2.89Å; E549-K576 IonicContact OE2-NZ 3.81Å; E549-K576 PolarHBondContact OE2-NZ 3.11Å; D573-K576 HydrophobicContact CB-CD 4.31Å; D573-K576 HydrophobicContact CB-CG 4.2Å; D573-K576 WeakPolarHBondContact O-CB 3.21Å; D573-K576 PolarHBondContact O-N 3.04Å; D573-K576 PolarHBondContact OD1-N 2.89Å; L574-K576 VanDerWaalsContact C-N 3.28Å; K576-Y578 PolarHBondContact O-N 2.71Å
577	L	91.3	Very high	88.2	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.021	28%	0.279	C	S	.	.	S	Bend	trans	-61.1	133	-178.2	-87	76.4	0	0	0	110.9	F543 M546 T547 L574 S575 K586 V589	F543-L577 HydrophobicContact CD2-CD1 3.95Å; F543-L577 HydrophobicContact CE2-CD1 4.07Å; M546-L577 HydrophobicContact CB-CD2 3.81Å; M546-L577 HydrophobicContact CB-CG 3.78Å; M546-L577 HydrophobicContact CG-CD2 4.47Å; M546-L577 CarbonylContact O-C 3.55Å; M546-L577 VanDerWaalsContact O-CA 3.3Å; M546-L577 WeakPolarHBondContact O-CA 3.34Å; T547-L577 HydrophobicContact CG2-CD1 3.88Å; T547-L577 HydrophobicContact CG2-CG 4.14Å; L574-L577 HydrophobicContact CB-CD1 4.32Å; L574-L577 HydrophobicContact CD2-CD1 3.67Å; S575-L577 VanDerWaalsContact C-N 3.27Å; S575-L577 PolarHBondContact O-N 3.28Å; L577-K586 HydrophobicContact CB-CD 4.25Å; L577-K586 HydrophobicContact CB-CG 4.49Å; L577-K586 HydrophobicContact CD2-CB 4.4Å; L577-K586 HydrophobicContact CD2-CG 3.98Å; L577-K586 PolarHBondContact O-NZ 2.98Å; L577-V589 HydrophobicContact CD2-CB 4.33Å; L577-V589 HydrophobicContact CD2-CG2 3.91Å
578	Y	90	Very high	88.3	Confident	88 Å²	88	51.6 Å²	51.6	35%	0.345	25%	0.253	S	S	.	.			trans	-45.6	145.3	-171.7	-59.3	-47.9	0	0	0	113.7	M446 L449 M546 T547 G548 K576 N580 C581 K586	M446-Y578 HydrophobicContact CE-CD2 3.99Å; L449-Y578 HydrophobicContact CD1-CE2 4.29Å; M546-Y578 VanDerWaalsContact O-CD2 3.25Å; M546-Y578 WeakPolarHBondContact O-CD2 3.47Å; M546-Y578 PolarHBondContact O-N 3.27Å; T547-Y578 VanDerWaalsContact C-OH 3.29Å; T547-Y578 WeakPolarHBondContact O-CE1 3.47Å; T547-Y578 PolarHBondContact O-OH 3.17Å; G548-Y578 WeakPolarHBondContact CA-OH 3.33Å; G548-Y578 PolarHBondContact N-OH 3.43Å; K576-Y578 PolarHBondContact O-N 2.71Å; Y578-N580 VanDerWaalsContact CB-OD1 3.22Å; Y578-N580 WeakPolarHBondContact CB-OD1 3.26Å; Y578-N580 PolarHBondContact O-N 2.88Å; Y578-C581 WeakPolarHBondContact O-CB 3.47Å; Y578-C581 PolarHBondContact O-N 2.77Å; Y578-K586 WeakPolarHBondContact O-CE 3.3Å; Y578-K586 PolarHBondContact O-NZ 2.98Å; Y578-K586 VanDerWaalsContact O-NZ 3.14Å
579	K	86.8	Confident	88.8	Confident	220 Å²	220	50.6 Å²	50.6	96%	0.957	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-28.2	-177.3	-66	178.5	-178.2	174.2	0	113
580	N	84.7	Confident	89	Confident	110 Å²	110	43 Å²	43	59%	0.588	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-3.8	174.7	63.7	-6.4	0	0	0	114	M446 Y578 P582	M446-N580 WeakPolarHBondContact CE-OD1 3.4Å; Y578-N580 VanDerWaalsContact CB-OD1 3.22Å; Y578-N580 WeakPolarHBondContact CB-OD1 3.26Å; Y578-N580 PolarHBondContact O-N 2.88Å; N580-P582 WeakPolarHBondContact O-CD 3.4Å
581	C	87.4	Confident	89.1	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.041	23%	0.226	C	C	.	.	S	Bend	trans	-64.8	123.6	176.6	174.6	0	0	0	0	110	M446 M546 Y578 K583 K586	M446-C581 HydrophobicContact CE-CB 4.05Å; M546-C581 HydrophobicContact SD-CB 4.29Å; M546-C581 PolarHBondContact SD-SG 3.33Å; Y578-C581 WeakPolarHBondContact O-CB 3.47Å; Y578-C581 PolarHBondContact O-N 2.77Å; C581-K583 PolarHBondContact O-N 2.81Å; C581-K586 HydrophobicContact CB-CG 4.35Å; C581-K586 WeakPolarHBondContact O-CE 3.37Å
582	P	86.9	Confident	89.5	Confident	24 Å²	24	43.5 Å²	43.5	16%	0.156	22%	0.217	C	C	.	.			trans	-60.8	138.1	-175.6	-25.4	34.6	0	0	0	113	I450 N580 A584 M585 K586 L613 L617	I450-P582 HydrophobicContact CD1-CG 4.06Å; N580-P582 WeakPolarHBondContact O-CD 3.4Å; P582-A584 PolarHBondContact O-N 2.87Å; P582-M585 WeakPolarHBondContact O-CA 3.19Å; P582-M585 WeakPolarHBondContact O-CB 3.34Å; P582-M585 PolarHBondContact O-N 3.14Å; P582-K586 PolarHBondContact O-N 3.01Å; P582-L613 HydrophobicContact CB-CD1 3.62Å; P582-L613 HydrophobicContact CB-CD2 4.07Å; P582-L613 HydrophobicContact CB-CG 4.48Å; P582-L613 HydrophobicContact CG-CD1 3.98Å; P582-L613 HydrophobicContact CG-CD2 4.23Å; P582-L617 HydrophobicContact CG-CD2 3.83Å
583	K	82.9	Confident	89.7	Confident	113 Å²	113	43.9 Å²	43.9	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-53.1	-29.1	179.2	-65.2	-177.3	179.3	179.6	0	114.1	C581 R587	C581-K583 PolarHBondContact O-N 2.81Å; K583-R587 PolarHBondContact O-N 2.87Å; K583-R587 VanDerWaalsContact O-N 3.13Å
584	A	84.5	Confident	89.9	Confident	38 Å²	38	43.5 Å²	43.5	31%	0.314	22%	0.215	S	C	.	.	H	α-helix	trans	-71.1	-36.6	174.9	0	0	0	0	0	112.7	P582 L588 L613	P582-A584 PolarHBondContact O-N 2.87Å; A584-L588 PolarHBondContact O-N 3.02Å; A584-L588 VanDerWaalsContact O-N 3.08Å; A584-L613 HydrophobicContact CB-CD1 4.37Å
585	M	90.7	Very high	89.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-69.5	-44.8	172.5	-175.3	57.6	88	0	0	110.5	I450 A453 L542 M546 P582 R587 L588 V589 I610 L613	I450-M585 HydrophobicContact CG1-CE 3.96Å; A453-M585 HydrophobicContact CB-CE 4.23Å; L542-M585 HydrophobicContact CD1-SD 4.34Å; L542-M585 HydrophobicContact CD2-CE 4.32Å; L542-M585 HydrophobicContact CD2-SD 4.03Å; M546-M585 HydrophobicContact CE-CG 4.49Å; M546-M585 HydrophobicContact CG-CG 4.01Å; M546-M585 HydrophobicContact SD-CG 3.72Å; P582-M585 WeakPolarHBondContact O-CA 3.19Å; P582-M585 WeakPolarHBondContact O-CB 3.34Å; P582-M585 PolarHBondContact O-N 3.14Å; M585-R587 VanDerWaalsContact C-N 3.29Å; M585-R587 PolarHBondContact O-N 3.04Å; M585-L588 WeakPolarHBondContact O-CA 3.34Å; M585-L588 WeakPolarHBondContact O-CB 3.4Å; M585-L588 PolarHBondContact O-N 3.32Å; M585-L588 HydrophobicContact SD-CB 4.37Å; M585-L588 HydrophobicContact SD-CD2 4.1Å; M585-V589 HydrophobicContact CG-CG2 4.4Å; M585-V589 VanDerWaalsContact O-CG2 3.28Å; M585-V589 WeakPolarHBondContact O-CG2 3.3Å; M585-V589 PolarHBondContact O-N 3.19Å; M585-V589 HydrophobicContact SD-CG2 4.47Å; M585-I610 HydrophobicContact CE-CG1 4.34Å; M585-L613 HydrophobicContact CB-CD2 3.79Å; M585-L613 HydrophobicContact CE-CD2 4.4Å
586	K	89.8	Confident	90.1	Very high	24 Å²	24	45.6 Å²	45.6	10%	0.104	22%	0.22	C	C	.	.	H	α-helix	trans	-53.6	-44.2	175.3	-61.9	-156.8	174.9	-158.7	0	112.5	L577 Y578 C581 P582 A590	L577-K586 HydrophobicContact CB-CD 4.25Å; L577-K586 HydrophobicContact CB-CG 4.49Å; L577-K586 HydrophobicContact CD2-CB 4.4Å; L577-K586 HydrophobicContact CD2-CG 3.98Å; L577-K586 PolarHBondContact O-NZ 2.98Å; Y578-K586 WeakPolarHBondContact O-CE 3.3Å; Y578-K586 PolarHBondContact O-NZ 2.98Å; Y578-K586 VanDerWaalsContact O-NZ 3.14Å; C581-K586 HydrophobicContact CB-CG 4.35Å; C581-K586 WeakPolarHBondContact O-CE 3.37Å; P582-K586 PolarHBondContact O-N 3.01Å; K586-A590 WeakPolarHBondContact O-CB 3.21Å; K586-A590 PolarHBondContact O-N 2.98Å; K586-A590 VanDerWaalsContact O-N 3.15Å
587	R	87.9	Confident	90.3	Very high	31 Å²	31	44.3 Å²	44.3	12%	0.117	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-45.9	170.8	-75.2	-159.8	-61.5	122.5	-7.6	113	D165 C180 G181 Y182 K583 M585 V589 A590 D591	D165-R587 IonicContact OD2-CZ 3.69Å; D165-R587 IonicContact OD2-NH1 2.66Å; D165-R587 PolarHBondContact OD2-NH1 3.19Å; D165-R587 IonicContact OD2-NH2 2.68Å; C180-R587 PolarHBondContact O-NE 2.9Å; C180-R587 VanDerWaalsContact O-NE 3.14Å; C180-R587 PolarHBondContact O-NH2 3.18Å; G181-R587 PolarHBondContact O-NH2 3.22Å; Y182-R587 VanDerWaalsContact N-NH2 3.18Å; K583-R587 PolarHBondContact O-N 2.87Å; K583-R587 VanDerWaalsContact O-N 3.13Å; M585-R587 VanDerWaalsContact C-N 3.29Å; M585-R587 PolarHBondContact O-N 3.04Å; R587-V589 VanDerWaalsContact C-N 3.34Å; R587-V589 PolarHBondContact O-N 3.19Å; R587-A590 CarbonylContact O-C 3.52Å; R587-A590 WeakPolarHBondContact O-CA 3.39Å; R587-A590 WeakPolarHBondContact O-CB 3.49Å; R587-A590 PolarHBondContact O-N 2.99Å; R587-A590 VanDerWaalsContact O-N 3.09Å; R587-D591 WeakPolarHBondContact O-CB 3.5Å; R587-D591 PolarHBondContact O-N 3.19Å
588	L	92.4	Very high	90.3	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	24%	0.244	C	C	.	.	H	α-helix	trans	-59.6	-42.5	-179.6	-174	61.6	0	0	0	112.2	L542 A584 M585 A590 D591 C592 I606 I610	L542-L588 HydrophobicContact CD1-CD2 4.3Å; L542-L588 HydrophobicContact CD1-CG 4.13Å; A584-L588 PolarHBondContact O-N 3.02Å; A584-L588 VanDerWaalsContact O-N 3.08Å; M585-L588 WeakPolarHBondContact O-CA 3.34Å; M585-L588 WeakPolarHBondContact O-CB 3.4Å; M585-L588 PolarHBondContact O-N 3.32Å; M585-L588 HydrophobicContact SD-CB 4.37Å; M585-L588 HydrophobicContact SD-CD2 4.1Å; L588-A590 PolarHBondContact O-N 3.06Å; L588-D591 PolarHBondContact O-N 3.34Å; L588-C592 PolarHBondContact O-N 3.37Å; L588-C592 PolarHBondContact O-SG 2.83Å; L588-I606 HydrophobicContact CD1-CB 4.48Å; L588-I606 HydrophobicContact CD1-CG1 4.25Å; L588-I606 HydrophobicContact CD1-CG2 4.36Å; L588-I606 HydrophobicContact CD2-CG2 4.22Å; L588-I610 HydrophobicContact CD2-CD1 3.9Å; L588-I610 HydrophobicContact CD2-CG1 3.41Å; L588-I610 VanDerWaalsContact CD2-CG1 3.41Å
589	V	95.8	Very high	90.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-58.2	-49.7	172.3	-169.2	0	0	0	0	110.2	L542 F543 L574 L577 M585 R587 D591 C592 I593	L542-V589 HydrophobicContact CB-CG1 4.31Å; L542-V589 HydrophobicContact CB-CG2 3.86Å; L542-V589 HydrophobicContact CD1-CG2 4.38Å; F543-V589 HydrophobicContact CB-CG1 4.26Å; L574-V589 HydrophobicContact CD2-CB 4.42Å; L574-V589 HydrophobicContact CD2-CG1 3.95Å; L577-V589 HydrophobicContact CD2-CB 4.33Å; L577-V589 HydrophobicContact CD2-CG2 3.91Å; M585-V589 HydrophobicContact CG-CG2 4.4Å; M585-V589 VanDerWaalsContact O-CG2 3.28Å; M585-V589 WeakPolarHBondContact O-CG2 3.3Å; M585-V589 PolarHBondContact O-N 3.19Å; M585-V589 HydrophobicContact SD-CG2 4.47Å; R587-V589 VanDerWaalsContact C-N 3.34Å; R587-V589 PolarHBondContact O-N 3.19Å; V589-D591 VanDerWaalsContact C-N 3.3Å; V589-D591 PolarHBondContact O-N 2.92Å; V589-C592 PolarHBondContact O-N 2.87Å; V589-I593 HydrophobicContact CG1-CD1 4.41Å; V589-I593 WeakPolarHBondContact O-CG1 3.45Å; V589-I593 PolarHBondContact O-N 3.12Å; V589-I593 VanDerWaalsContact O-N 3.1Å
590	A	92.2	Very high	90.8	Very high	5 Å²	5	41.1 Å²	41.1	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-27.4	-179.8	0	0	0	0	0	114.8	R203 L574 K586 R587 L588 K594	R203-A590 PolarHBondContact NH1-O 3.42Å; L574-A590 HydrophobicContact CD1-CB 3.6Å; K586-A590 WeakPolarHBondContact O-CB 3.21Å; K586-A590 PolarHBondContact O-N 2.98Å; K586-A590 VanDerWaalsContact O-N 3.15Å; R587-A590 CarbonylContact O-C 3.52Å; R587-A590 WeakPolarHBondContact O-CA 3.39Å; R587-A590 WeakPolarHBondContact O-CB 3.49Å; R587-A590 PolarHBondContact O-N 2.99Å; R587-A590 VanDerWaalsContact O-N 3.09Å; L588-A590 PolarHBondContact O-N 3.06Å; A590-K594 WeakPolarHBondContact O-CG 3.49Å
591	D	91.9	Very high	91.3	Very high	48 Å²	48	36.3 Å²	36.3	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-84	-33.1	177.5	-78	-42.5	0	0	0	112.2	R587 L588 V589 K594 P601	R587-D591 WeakPolarHBondContact O-CB 3.5Å; R587-D591 PolarHBondContact O-N 3.19Å; L588-D591 PolarHBondContact O-N 3.34Å; V589-D591 VanDerWaalsContact C-N 3.3Å; V589-D591 PolarHBondContact O-N 2.92Å; D591-K594 WeakPolarHBondContact O-CG 3.21Å; D591-K594 WeakPolarHBondContact OD1-CE 3.46Å; D591-K594 IonicContact OD1-NZ 3.49Å; D591-K594 PolarHBondContact OD1-NZ 3.21Å; D591-P601 WeakPolarHBondContact O-CD 3.28Å
592	C	97.3	Very high	91.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-70.6	-42	172.8	-68.7	0	0	0	0	112.6	V535 L588 V589 K594 R600	V535-C592 HydrophobicContact CG1-CB 4Å; L588-C592 PolarHBondContact O-N 3.37Å; L588-C592 PolarHBondContact O-SG 2.83Å; V589-C592 PolarHBondContact O-N 2.87Å; C592-K594 PolarHBondContact O-N 3.19Å; C592-K594 VanDerWaalsContact O-N 3.15Å; C592-R600 VanDerWaalsContact O-CD 3.26Å; C592-R600 WeakPolarHBondContact O-CD 3.29Å; C592-R600 WeakPolarHBondContact O-CG 3.36Å
593	I	95.9	Very high	92.3	Very high	12 Å²	12	37.6 Å²	37.6	6%	0.062	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	21.3	-175.6	71.5	-170.5	0	0	0	114.7	Y536 I540 P572 L574 V589	Y536-I593 HydrophobicContact CD2-CB 4.33Å; Y536-I593 HydrophobicContact CE2-CB 4.08Å; Y536-I593 WeakPolarHBondContact CE2-O 3.37Å; I540-I593 HydrophobicContact CD1-CG2 4.04Å; P572-I593 HydrophobicContact CB-CD1 4.15Å; P572-I593 HydrophobicContact CG-CD1 3.99Å; L574-I593 HydrophobicContact CD1-CD1 4.2Å; L574-I593 HydrophobicContact CD2-CD1 3.81Å; L574-I593 HydrophobicContact CG-CD1 4.2Å; V589-I593 HydrophobicContact CG1-CD1 4.41Å; V589-I593 WeakPolarHBondContact O-CG1 3.45Å; V589-I593 PolarHBondContact O-N 3.12Å; V589-I593 VanDerWaalsContact O-N 3.1Å
594	K	92.8	Very high	92.8	Very high	28 Å²	28	35 Å²	35	12%	0.122	18%	0.18	C	C	.	.			trans	-67.4	149.7	-177.7	-72.1	-175.4	-176.3	-175.3	0	113.2	A590 D591 C592 S596 E599 R600	A590-K594 WeakPolarHBondContact O-CG 3.49Å; D591-K594 WeakPolarHBondContact O-CG 3.21Å; D591-K594 WeakPolarHBondContact OD1-CE 3.46Å; D591-K594 IonicContact OD1-NZ 3.49Å; D591-K594 PolarHBondContact OD1-NZ 3.21Å; C592-K594 PolarHBondContact O-N 3.19Å; C592-K594 VanDerWaalsContact O-N 3.15Å; K594-S596 CarbonylContact C-O 3.55Å; K594-E599 HydrophobicContact CB-CB 4.36Å; K594-E599 HydrophobicContact CD-CB 3.39Å; K594-E599 HydrophobicContact CD-CG 4.32Å; K594-E599 WeakPolarHBondContact CD-OE2 3.39Å; K594-E599 WeakPolarHBondContact CE-OE2 3.18Å; K594-E599 PolarHBondContact NZ-O 2.56Å; K594-E599 IonicContact NZ-OE2 2.76Å; K594-E599 PolarHBondContact NZ-OE2 3.29Å; K594-R600 HydrophobicContact CB-CG 4.06Å; K594-R600 VanDerWaalsContact O-CZ 3.31Å; K594-R600 PolarHBondContact O-NE 2.85Å; K594-R600 PolarHBondContact O-NH2 3.18Å
595	K	90.2	Very high	93.2	Very high	77 Å²	77	34.5 Å²	34.5	34%	0.335	17%	0.171	S	C	.	.	S	Bend	trans	-71.1	-48.4	-176.4	-62	179.3	-175.1	177.1	0	112.5	L207 G568 R600	L207-K595 VanDerWaalsContact CD1-NZ 3.29Å; G568-K595 WeakPolarHBondContact O-CE 3.48Å; G568-K595 PolarHBondContact O-NZ 3.43Å; K595-R600 PolarHBondContact O-NH2 2.9Å
596	S	91.1	Very high	93.5	Very high	39 Å²	39	34.4 Å²	34.4	27%	0.273	17%	0.171	S	C	.	.	S	Bend	trans	-67.6	135.5	163.4	156.2	0	0	0	0	108.9	K594 E598 E599	K594-S596 CarbonylContact C-O 3.55Å; S596-E598 PolarHBondContact OG-N 3.48Å; S596-E598 PolarHBondContact OG-OE2 2.92Å; S596-E599 PolarHBondContact OG-N 3.41Å
597	K	93.2	Very high	93.8	Very high	50 Å²	50	34.3 Å²	34.3	22%	0.217	17%	0.171	C	C	.	.	S	Bend	trans	-74.3	-34.8	175	60.4	-172.2	174.3	-176.4	0	110.9	E519 D525 Q532 E599 R600	E519-K597 HydrophobicContact CG-CD 4.11Å; D525-K597 IonicContact OD1-NZ 2.69Å; D525-K597 IonicContact OD2-NZ 3.54Å; D525-K597 PolarHBondContact OD2-NZ 2.63Å; Q532-K597 HydrophobicContact CB-CB 3.83Å; Q532-K597 VanDerWaalsContact CG-O 3.3Å; Q532-K597 WeakPolarHBondContact CG-O 3.48Å; K597-E599 VanDerWaalsContact C-N 3.27Å; K597-E599 PolarHBondContact O-N 3.35Å; K597-R600 WeakPolarHBondContact O-CB 3.38Å; K597-R600 PolarHBondContact O-N 3.01Å; K597-R600 VanDerWaalsContact O-N 3.14Å
598	E	92.3	Very high	93.9	Very high	135 Å²	135	32.9 Å²	32.9	63%	0.631	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.3	179.9	-55.1	71.8	-156.8	0	0	113.3	S596	S596-E598 PolarHBondContact OG-N 3.48Å; S596-E598 PolarHBondContact OG-OE2 2.92Å
599	E	90.4	Very high	93.8	Very high	99 Å²	99	33.6 Å²	33.6	46%	0.463	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-9.9	176.2	-78.9	-161.7	-115	0	0	114.8	K594 S596 K597	K594-E599 HydrophobicContact CB-CB 4.36Å; K594-E599 HydrophobicContact CD-CB 3.39Å; K594-E599 HydrophobicContact CD-CG 4.32Å; K594-E599 WeakPolarHBondContact CD-OE2 3.39Å; K594-E599 WeakPolarHBondContact CE-OE2 3.18Å; K594-E599 PolarHBondContact NZ-O 2.56Å; K594-E599 IonicContact NZ-OE2 2.76Å; K594-E599 PolarHBondContact NZ-OE2 3.29Å; S596-E599 PolarHBondContact OG-N 3.41Å; K597-E599 VanDerWaalsContact C-N 3.27Å; K597-E599 PolarHBondContact O-N 3.35Å
600	R	95.7	Very high	93.6	Very high	11 Å²	11	33.6 Å²	33.6	4%	0.042	17%	0.172	C	C	.	.	S	Bend	trans	-80.6	141	-176.9	-58.4	176.5	-164.1	143.3	12.3	110.6	E519 Q532 V535 C592 K594 K595 K597	E519-R600 IonicContact OE1-CZ 3.7Å; E519-R600 IonicContact OE1-NH1 3.99Å; E519-R600 PolarHBondContact OE1-NH1 3.35Å; E519-R600 IonicContact OE1-NH2 2.66Å; E519-R600 PolarHBondContact OE1-NH2 2.94Å; E519-R600 IonicContact OE2-CZ 2.81Å; E519-R600 IonicContact OE2-NH1 2.65Å; E519-R600 IonicContact OE2-NH2 3.83Å; E519-R600 PolarHBondContact OE2-NH2 2.95Å; Q532-R600 VanDerWaalsContact O-CD 3.29Å; Q532-R600 WeakPolarHBondContact O-CD 3.41Å; Q532-R600 PolarHBondContact O-NH1 3.5Å; V535-R600 HydrophobicContact CG1-CB 4.02Å; C592-R600 VanDerWaalsContact O-CD 3.26Å; C592-R600 WeakPolarHBondContact O-CD 3.29Å; C592-R600 WeakPolarHBondContact O-CG 3.36Å; K594-R600 HydrophobicContact CB-CG 4.06Å; K594-R600 VanDerWaalsContact O-CZ 3.31Å; K594-R600 PolarHBondContact O-NE 2.85Å; K594-R600 PolarHBondContact O-NH2 3.18Å; K595-R600 PolarHBondContact O-NH2 2.9Å; K597-R600 WeakPolarHBondContact O-CB 3.38Å; K597-R600 PolarHBondContact O-N 3.01Å; K597-R600 VanDerWaalsContact O-N 3.14Å
601	P	95.6	Very high	93.5	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.052	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-68.7	160.3	173.6	30.9	-35.2	0	0	0	111.4	V535 D591 Q605 I606	V535-P601 WeakPolarHBondContact CG1-O 3.47Å; V535-P601 WeakPolarHBondContact CG2-O 3.26Å; D591-P601 WeakPolarHBondContact O-CD 3.28Å; P601-Q605 HydrophobicContact CB-CB 4.11Å; P601-I606 HydrophobicContact CB-CG1 4.05Å; P601-I606 HydrophobicContact CG-CD1 4.2Å; P601-I606 HydrophobicContact CG-CG1 3.76Å
602	L	97.4	Very high	93.2	Very high	58 Å²	58	36.5 Å²	36.5	30%	0.304	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-94.9	161.6	168.3	-66.7	178.2	0	0	0	111.2	F531 Q532 P604 Q605 I606	F531-L602 HydrophobicContact CB-CD2 3.89Å; Q532-L602 HydrophobicContact CG-CD2 4.45Å; L602-P604 VanDerWaalsContact C-N 3.32Å; L602-P604 VanDerWaalsContact O-N 3.12Å; L602-Q605 WeakPolarHBondContact O-CB 3.41Å; L602-Q605 PolarHBondContact O-N 2.95Å; L602-I606 WeakPolarHBondContact O-CG1 3.26Å; L602-I606 PolarHBondContact O-N 3.47Å; L602-I606 VanDerWaalsContact O-N 3.08Å
603	F	97.9	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-52.8	-32.4	-176	-79	-78.6	0	0	0	116.4	A457 M460 D461 H464 D534 V535 Y538 Q605 I606 L607	A457-F603 HydrophobicContact CB-CD1 4.12Å; A457-F603 HydrophobicContact CB-CE1 4.49Å; M460-F603 HydrophobicContact CB-CD1 3.62Å; M460-F603 HydrophobicContact CB-CD2 3.86Å; M460-F603 HydrophobicContact CB-CE1 3.42Å; M460-F603 VanDerWaalsContact CB-CE1 3.42Å; M460-F603 HydrophobicContact CB-CE2 3.66Å; M460-F603 HydrophobicContact CB-CG 3.84Å; M460-F603 HydrophobicContact CB-CZ 3.44Å; M460-F603 VanDerWaalsContact CB-CZ 3.44Å; M460-F603 HydrophobicContact CE-CE2 4.04Å; M460-F603 HydrophobicContact CE-CZ 4.24Å; M460-F603 HydrophobicContact CG-CE1 3.9Å; M460-F603 HydrophobicContact CG-CE2 4.25Å; M460-F603 HydrophobicContact CG-CZ 3.72Å; D461-F603 HydrophobicContact CB-CB 3.84Å; D461-F603 WeakPolarHBondContact OD1-CB 3.46Å; H464-F603 AromaticContact CE1-CD2 3.52Å; H464-F603 AromaticContact CE1-CE2 3.51Å; H464-F603 AromaticContact ND1-CD2 3.43Å; H464-F603 WeakPolarHBondContact ND1-CD2 3.37Å; H464-F603 AromaticContact ND1-CE2 3.94Å; D534-F603 HydrophobicContact CB-CE2 4.49Å; V535-F603 HydrophobicContact CB-CE2 4.48Å; V535-F603 HydrophobicContact CG2-CD2 3.8Å; V535-F603 HydrophobicContact CG2-CE2 3.46Å; V535-F603 VanDerWaalsContact CG2-CE2 3.46Å; V535-F603 HydrophobicContact CG2-CZ 4.06Å; Y538-F603 AromaticContact CD1-CE1 3.69Å; Y538-F603 HydrophobicContact CD1-CE1 3.69Å; Y538-F603 HydrophobicContact CD1-CZ 4.06Å; Y538-F603 HydrophobicContact CD2-CE1 4.09Å; Y538-F603 HydrophobicContact CD2-CZ 4.45Å; Y538-F603 HydrophobicContact CE1-CE1 4.09Å; Y538-F603 HydrophobicContact CE2-CE1 4.45Å; Y538-F603 AromaticContact CG-CE1 3.68Å; Y538-F603 HydrophobicContact CG-CE1 3.68Å; Y538-F603 AromaticContact CG-CZ 3.82Å; Y538-F603 HydrophobicContact CG-CZ 3.82Å; F603-Q605 VanDerWaalsContact C-N 3.29Å; F603-Q605 PolarHBondContact O-N 3.2Å; F603-I606 HydrophobicContact CD1-CB 4.48Å; F603-I606 HydrophobicContact CD1-CD1 3.99Å; F603-I606 HydrophobicContact CD1-CG2 4.45Å; F603-I606 HydrophobicContact CE1-CD1 4.12Å; F603-I606 HydrophobicContact CG-CD1 4.29Å; F603-I606 PolarHBondContact O-N 2.84Å; F603-L607 VanDerWaalsContact O-CB 3.3Å; F603-L607 WeakPolarHBondContact O-CB 3.32Å; F603-L607 PolarHBondContact O-N 3.29Å
604	P	94.8	Very high	92.1	Very high	57 Å²	57	39 Å²	39	37%	0.37	20%	0.197	S	C	.	.	H	α-helix	trans	-63.3	-33.1	173.4	-23.5	33.6	0	0	0	113.5	F163 D461 L602 S608	F163-P604 WeakPolarHBondContact CE2-O 3.47Å; D461-P604 WeakPolarHBondContact OD1-CD 3.42Å; D461-P604 WeakPolarHBondContact OD1-CG 3.36Å; D461-P604 VanDerWaalsContact OD1-N 3.14Å; L602-P604 VanDerWaalsContact C-N 3.32Å; L602-P604 VanDerWaalsContact O-N 3.12Å; P604-S608 VanDerWaalsContact O-CB 3.24Å; P604-S608 WeakPolarHBondContact O-CB 3.29Å; P604-S608 PolarHBondContact O-N 2.85Å
605	Q	92.9	Very high	91.4	Very high	28 Å²	28	42.6 Å²	42.6	13%	0.131	21%	0.214	C	C	.	.	H	α-helix	trans	-80.7	-34.7	178.5	-66.4	146.1	1.6	0	0	111.5	F163 Q168 P601 L602 F603 S609	F163-Q605 HydrophobicContact CB-CG 4.14Å; F163-Q605 HydrophobicContact CD1-CG 4Å; F163-Q605 HydrophobicContact CD2-CB 4.28Å; F163-Q605 HydrophobicContact CD2-CG 3.88Å; F163-Q605 HydrophobicContact CE1-CG 4.4Å; F163-Q605 HydrophobicContact CE2-CG 4.28Å; F163-Q605 HydrophobicContact CG-CB 4.5Å; F163-Q605 HydrophobicContact CG-CG 3.73Å; Q168-Q605 PolarHBondContact O-NE2 2.9Å; Q168-Q605 VanDerWaalsContact O-NE2 3.14Å; P601-Q605 HydrophobicContact CB-CB 4.11Å; L602-Q605 WeakPolarHBondContact O-CB 3.41Å; L602-Q605 PolarHBondContact O-N 2.95Å; F603-Q605 VanDerWaalsContact C-N 3.29Å; F603-Q605 PolarHBondContact O-N 3.2Å; Q605-S609 VanDerWaalsContact O-CB 3.28Å; Q605-S609 WeakPolarHBondContact O-CB 3.17Å; Q605-S609 PolarHBondContact O-N 3.48Å; Q605-S609 VanDerWaalsContact O-N 3.07Å; Q605-S609 PolarHBondContact O-OG 3.08Å
606	I	96.6	Very high	90.5	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-55.6	173.2	-64.1	173	0	0	0	109.2	A457 V535 Y538 L588 P601 L602 F603 S608 S609 I610	A457-I606 HydrophobicContact CB-CG2 4.19Å; V535-I606 HydrophobicContact CB-CD1 4.46Å; V535-I606 HydrophobicContact CG1-CD1 3.87Å; V535-I606 HydrophobicContact CG2-CD1 3.87Å; Y538-I606 HydrophobicContact CD1-CD1 4.36Å; Y538-I606 HydrophobicContact CD1-CG2 4.38Å; Y538-I606 HydrophobicContact CE1-CG2 3.55Å; L588-I606 HydrophobicContact CD1-CB 4.48Å; L588-I606 HydrophobicContact CD1-CG1 4.25Å; L588-I606 HydrophobicContact CD1-CG2 4.36Å; L588-I606 HydrophobicContact CD2-CG2 4.22Å; P601-I606 HydrophobicContact CB-CG1 4.05Å; P601-I606 HydrophobicContact CG-CD1 4.2Å; P601-I606 HydrophobicContact CG-CG1 3.76Å; L602-I606 WeakPolarHBondContact O-CG1 3.26Å; L602-I606 PolarHBondContact O-N 3.47Å; L602-I606 VanDerWaalsContact O-N 3.08Å; F603-I606 HydrophobicContact CD1-CB 4.48Å; F603-I606 HydrophobicContact CD1-CD1 3.99Å; F603-I606 HydrophobicContact CD1-CG2 4.45Å; F603-I606 HydrophobicContact CE1-CD1 4.12Å; F603-I606 HydrophobicContact CG-CD1 4.29Å; F603-I606 PolarHBondContact O-N 2.84Å; I606-S608 PolarHBondContact O-N 2.88Å; I606-S609 CarbonylContact O-C 3.54Å; I606-S609 WeakPolarHBondContact O-CA 3.38Å; I606-S609 WeakPolarHBondContact O-CB 3.28Å; I606-S609 PolarHBondContact O-N 2.64Å; I606-I610 HydrophobicContact CG2-CD1 3.89Å; I606-I610 WeakPolarHBondContact O-CG1 2.98Å; I606-I610 PolarHBondContact O-N 2.87Å
607	L	94.8	Very high	89.6	Confident	21 Å²	21	42 Å²	42	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-51.2	-179.1	-180	58.4	0	0	0	111.6	R454 A457 Q458 F603 S609 I610 E611	R454-L607 HydrophobicContact CG-CD1 3.93Å; A457-L607 HydrophobicContact CB-CB 4.49Å; A457-L607 HydrophobicContact CB-CD1 4.42Å; Q458-L607 HydrophobicContact CG-CD1 3.56Å; Q458-L607 HydrophobicContact CG-CD2 3.75Å; Q458-L607 HydrophobicContact CG-CG 4.32Å; F603-L607 VanDerWaalsContact O-CB 3.3Å; F603-L607 WeakPolarHBondContact O-CB 3.32Å; F603-L607 PolarHBondContact O-N 3.29Å; L607-S609 PolarHBondContact O-N 2.93Å; L607-I610 PolarHBondContact O-N 2.93Å; L607-E611 HydrophobicContact CD1-CG 4.04Å; L607-E611 WeakPolarHBondContact CD1-OE1 3.25Å; L607-E611 HydrophobicContact CG-CG 4.4Å; L607-E611 WeakPolarHBondContact O-CG 3.24Å; L607-E611 PolarHBondContact O-N 2.87Å
608	S	90.3	Very high	88	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.233	C	C	.	.	H	α-helix	trans	-53.4	-39.1	173	165.8	0	0	0	0	112.4	L161 P604 I606 L612	L161-S608 PolarHBondContact O-OG 2.96Å; P604-S608 VanDerWaalsContact O-CB 3.24Å; P604-S608 WeakPolarHBondContact O-CB 3.29Å; P604-S608 PolarHBondContact O-N 2.85Å; I606-S608 PolarHBondContact O-N 2.88Å; S608-L612 VanDerWaalsContact O-CB 3.25Å; S608-L612 WeakPolarHBondContact O-CB 3.31Å; S608-L612 WeakPolarHBondContact O-CD1 3.35Å; S608-L612 WeakPolarHBondContact O-CG 3.02Å; S608-L612 PolarHBondContact O-N 2.7Å
609	S	90.5	Very high	86.2	Confident	28 Å²	28	45.8 Å²	45.8	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-73.3	-31.1	179	-60.9	0	0	0	0	113.2	K183 Q605 I606 L607 L613	K183-S609 PolarHBondContact NZ-OG 3.09Å; Q605-S609 VanDerWaalsContact O-CB 3.28Å; Q605-S609 WeakPolarHBondContact O-CB 3.17Å; Q605-S609 PolarHBondContact O-N 3.48Å; Q605-S609 VanDerWaalsContact O-N 3.07Å; Q605-S609 PolarHBondContact O-OG 3.08Å; I606-S609 CarbonylContact O-C 3.54Å; I606-S609 WeakPolarHBondContact O-CA 3.38Å; I606-S609 WeakPolarHBondContact O-CB 3.28Å; I606-S609 PolarHBondContact O-N 2.64Å; L607-S609 PolarHBondContact O-N 2.93Å; S609-L613 PolarHBondContact O-N 2.88Å
610	I	92.9	Very high	84.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-75.3	-43.7	174.3	-62	170.3	0	0	0	110.9	I450 R454 A457 Y538 M585 L588 I606 L607 L612 L613 Q614	I450-I610 HydrophobicContact CG2-CG2 4.11Å; R454-I610 HydrophobicContact CB-CG2 3.72Å; R454-I610 HydrophobicContact CG-CG2 4.16Å; A457-I610 HydrophobicContact CB-CD1 4.19Å; Y538-I610 WeakPolarHBondContact OH-CD1 3.24Å; M585-I610 HydrophobicContact CE-CG1 4.34Å; L588-I610 HydrophobicContact CD2-CD1 3.9Å; L588-I610 HydrophobicContact CD2-CG1 3.41Å; L588-I610 VanDerWaalsContact CD2-CG1 3.41Å; I606-I610 HydrophobicContact CG2-CD1 3.89Å; I606-I610 WeakPolarHBondContact O-CG1 2.98Å; I606-I610 PolarHBondContact O-N 2.87Å; L607-I610 PolarHBondContact O-N 2.93Å; I610-L612 PolarHBondContact O-N 2.02Å; I610-L613 CarbonylContact O-C 3.41Å; I610-L613 WeakPolarHBondContact O-CA 2.83Å; I610-L613 WeakPolarHBondContact O-CB 3.11Å; I610-L613 PolarHBondContact O-N 3.1Å; I610-Q614 PolarHBondContact O-N 3.16Å
611	E	89.6	Confident	81.6	Confident	63 Å²	63	54.6 Å²	54.6	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-42	177.3	-69.2	175.4	166.6	0	0	111.7	R454 L607 L613 Q614 H615	R454-E611 HydrophobicContact CG-CG 4.48Å; L607-E611 HydrophobicContact CD1-CG 4.04Å; L607-E611 WeakPolarHBondContact CD1-OE1 3.25Å; L607-E611 HydrophobicContact CG-CG 4.4Å; L607-E611 WeakPolarHBondContact O-CG 3.24Å; L607-E611 PolarHBondContact O-N 2.87Å; E611-L613 PolarHBondContact O-N 2.81Å; E611-Q614 PolarHBondContact O-N 3.09Å; E611-H615 PolarHBondContact O-CD2 2.63Å; E611-H615 PolarHBondContact O-N 2.62Å
612	L	86.1	Confident	79.1	Confident	50 Å²	50	64.1 Å²	64.1	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-62.8	-26.5	172.1	-74.1	171.4	0	0	0	113	K160 A162 S608 I610 A616	K160-L612 HydrophobicContact CB-CD2 4.33Å; A162-L612 HydrophobicContact CB-CD1 3.93Å; S608-L612 VanDerWaalsContact O-CB 3.25Å; S608-L612 WeakPolarHBondContact O-CB 3.31Å; S608-L612 WeakPolarHBondContact O-CD1 3.35Å; S608-L612 WeakPolarHBondContact O-CG 3.02Å; S608-L612 PolarHBondContact O-N 2.7Å; I610-L612 PolarHBondContact O-N 2.02Å; L612-A616 WeakPolarHBondContact O-CB 3.2Å
613	L	85.3	Confident	76.6	Confident	15 Å²	15	67.1 Å²	67.1	8%	0.079	35%	0.352	C	S	.	.	H	α-helix	trans	-78.7	-46.6	171.9	172.1	59.3	0	0	0	111.4	I450 P582 A584 M585 S609 I610 E611 H615 A616 L617	I450-L613 HydrophobicContact CD1-CD2 4.06Å; P582-L613 HydrophobicContact CB-CD1 3.62Å; P582-L613 HydrophobicContact CB-CD2 4.07Å; P582-L613 HydrophobicContact CB-CG 4.48Å; P582-L613 HydrophobicContact CG-CD1 3.98Å; P582-L613 HydrophobicContact CG-CD2 4.23Å; A584-L613 HydrophobicContact CB-CD1 4.37Å; M585-L613 HydrophobicContact CB-CD2 3.79Å; M585-L613 HydrophobicContact CE-CD2 4.4Å; S609-L613 PolarHBondContact O-N 2.88Å; I610-L613 CarbonylContact O-C 3.41Å; I610-L613 WeakPolarHBondContact O-CA 2.83Å; I610-L613 WeakPolarHBondContact O-CB 3.11Å; I610-L613 PolarHBondContact O-N 3.1Å; E611-L613 PolarHBondContact O-N 2.81Å; L613-H615 PolarHBondContact O-N 3.24Å; L613-A616 CarbonylContact O-C 3.22Å; L613-A616 WeakPolarHBondContact O-CA 3.36Å; L613-A616 PolarHBondContact O-N 2.97Å; L613-L617 HydrophobicContact CD1-CD2 4.35Å; L613-L617 HydrophobicContact CD1-CG 4.19Å; L613-L617 PolarHBondContact O-N 3.39Å
614	Q	83.6	Confident	74.2	Confident	51 Å²	51	72 Å²	72	24%	0.238	39%	0.393	C	S	.	.	H	α-helix	trans	-60.4	-32.3	-179.9	-163.5	-179.1	36.7	0	0	112.1	D451 R454 I610 E611	D451-Q614 PolarHBondContact OD1-NE2 3.23Å; R454-Q614 VanDerWaalsContact CD-OE1 3.24Å; I610-Q614 PolarHBondContact O-N 3.16Å; E611-Q614 PolarHBondContact O-N 3.09Å
615	H	77.6	Confident	72.4	Confident	103 Å²	103	74.6 Å²	74.6	48%	0.477	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.7	171	-66.6	-36.8	0	0	0	115.2	K160 E611 L613	K160-H615 PolarHBondContact NZ-CD2 3.32Å; K160-H615 PolarHBondContact NZ-CE1 3.08Å; K160-H615 PolarHBondContact NZ-NE2 2.85Å; E611-H615 PolarHBondContact O-CD2 2.63Å; E611-H615 PolarHBondContact O-N 2.62Å; L613-H615 PolarHBondContact O-N 3.24Å
616	A	72.7	Confident	69.8	Low	64 Å²	64	81.8 Å²	81.8	53%	0.529	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-12.1	179.2	0	0	0	0	0	113.3	L612 L613	L612-A616 WeakPolarHBondContact O-CB 3.2Å; L613-A616 CarbonylContact O-C 3.22Å; L613-A616 WeakPolarHBondContact O-CA 3.36Å; L613-A616 PolarHBondContact O-N 2.97Å
617	L	71.1	Confident	67.3	Low	38 Å²	38	86.1 Å²	86.1	20%	0.199	47%	0.474	C	S	.	.	S	Bend	trans	-68.7	140.7	167.4	-72.5	171.5	0	0	0	110.1	I450 P582 L613 K619	I450-L617 HydrophobicContact CD1-CD1 3.76Å; P582-L617 HydrophobicContact CG-CD2 3.83Å; L613-L617 HydrophobicContact CD1-CD2 4.35Å; L613-L617 HydrophobicContact CD1-CG 4.19Å; L613-L617 PolarHBondContact O-N 3.39Å; L617-K619 PolarHBondContact O-N 3.45Å; L617-K619 VanDerWaalsContact O-N 3.14Å
618	P	61.2	Low	64.8	Low	78 Å²	78	89.4 Å²	89.4	51%	0.506	50%	0.499	S	S	.	.			trans	-59.4	118.3	167.8	-20.2	32.5	0	0	0	109.6	I620	P618-I620 WeakPolarHBondContact CB-O 3.46Å; P618-I620 PolarHBondContact O-N 3.15Å
619	K	54.4	Low	62.6	Low	187 Å²	187	95.8 Å²	95.8	81%	0.813	53%	0.532	S	S	*	.	S	Bend	trans	-66.1	-12	172.2	-69.8	-169	173.6	-167.9	0	113.1	L617	L617-K619 PolarHBondContact O-N 3.45Å; L617-K619 VanDerWaalsContact O-N 3.14Å
620	I	47.8	Very low	60.4	Low	127 Å²	127	102.7 Å²	102.7	65%	0.651	56%	0.561	S	S	*	*	S	Bend	trans	-144	142.9	180	-50.1	176.2	0	0	0	106.3	P618 R622	P618-I620 WeakPolarHBondContact CB-O 3.46Å; P618-I620 PolarHBondContact O-N 3.15Å; I620-R622 PolarHBondContact O-N 3.12Å
621	N	41.6	Very low	57.9	Low	169 Å²	169	115 Å²	115	90%	0.904	61%	0.607	S	S	*	*			trans	-61.5	98.5	174.9	-77.3	-26.1	0	0	0	111.3
622	R	41.7	Very low	55.5	Low	207 Å²	207	115.8 Å²	115.8	78%	0.781	63%	0.625	S	S	*	*			trans	-132.9	135.2	163.4	-74.2	-173.1	171.6	166.1	-1.7	108.8	I620	I620-R622 PolarHBondContact O-N 3.12Å
623	S	46.2	Very low	53.4	Low	121 Å²	121	117.7 Å²	117.7	85%	0.846	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-54.1	144.2	179.2	-49.1	0	0	0	0	111	S625	S623-S625 PolarHBondContact O-N 3.03Å; S623-S625 VanDerWaalsContact O-N 3.16Å
624	A	47.5	Very low	50.8	Low	103 Å²	103	126.2 Å²	126.2	85%	0.851	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-63.8	117.7	174.1	0	0	0	0	0	109.6
625	S	55.8	Low	48.6	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-64.9	157.7	169.8	54.4	0	0	0	0	110.9	S623	S623-S625 PolarHBondContact O-N 3.03Å; S623-S625 VanDerWaalsContact O-N 3.16Å
626	E	38.2	Very low	46.5	Very low	178 Å²	178	134.3 Å²	134.3	83%	0.832	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-54.3	144	-178.1	-76.1	-169.6	105.9	0	0	113.4	S628	E626-S628 PolarHBondContact O-N 3.22Å
627	P	45.3	Very low	44.6	Very low	92 Å²	92	137.9 Å²	137.9	60%	0.597	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-68.2	130.1	173.1	29.7	-33.3	0	0	0	109.8	L629	P627-L629 PolarHBondContact O-N 3.41Å
628	S	42.6	Very low	42.8	Very low	90 Å²	90	144.2 Å²	144.2	63%	0.629	78%	0.778	S	S	*	*			trans	-59.5	99.2	177.3	62	0	0	0	0	111.7	E626	E626-S628 PolarHBondContact O-N 3.22Å
629	L	44.1	Very low	41.2	Very low	135 Å²	135	147.8 Å²	147.8	71%	0.707	79%	0.793	S	S	*	*			trans	-71.2	146.6	173.3	-71.9	172	0	0	0	110.6	P627	P627-L629 PolarHBondContact O-N 3.41Å
630	H	42.6	Very low	40.2	Very low	174 Å²	174	143.6 Å²	143.6	81%	0.806	79%	0.793	S	S	*	*			trans	44.1	86.1	171.6	-66.2	-82.2	0	0	0	117.9
631	R	40.4	Very low	39.3	Very low	257 Å²	257	143.5 Å²	143.5	97%	0.97	80%	0.802	S	S	*	*			trans	-130.8	53.2	147.2	-164.4	175.3	-91.4	175.3	-6.9	111.4
632	A	39.5	Very low	38.8	Very low	81 Å²	81	141.2 Å²	141.2	67%	0.669	80%	0.795	S	S	*	*	S	Bend	trans	-129.4	126	165.2	0	0	0	0	0	107.3
633	A	43.3	Very low	38.2	Very low	90 Å²	90	139 Å²	139	74%	0.744	80%	0.798	S	S	*	*	S	Bend	trans	58.8	66.8	-178.3	0	0	0	0	0	116.6
634	Q	30.9	Very low	37.6	Very low	194 Å²	194	139.4 Å²	139.4	91%	0.907	80%	0.795	S	S	*	*			trans	-145.9	117	133.6	-83	-161.1	-27.3	0	0	108.6
635	T	36.1	Very low	36.7	Very low	141 Å²	141	141.3 Å²	141.3	87%	0.865	80%	0.796	S	S	*	*			trans	-148	71.7	171.9	48.6	0	0	0	0	108.1
636	E	34.6	Very low	35.6	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	80%	0.801	S	S	*	*			trans	-128.9	132.4	167.5	-69.7	-173.3	161.8	0	0	109
637	D	31.7	Very low	35.2	Very low	139 Å²	139	146.8 Å²	146.8	74%	0.743	80%	0.804	S	S	*	*			trans	48.7	101.6	157.8	-57.7	-7.8	0	0	0	120.5	N639	D637-N639 PolarHBondContact O-N 2.75Å
638	I	33.3	Very low	34.7	Very low	171 Å²	171	147.1 Å²	147.1	88%	0.877	81%	0.806	S	S	*	*			trans	-64	107.2	148.5	-60.6	166.8	0	0	0	107.5
639	N	27.8	Very low	34.3	Very low	152 Å²	152	149.3 Å²	149.3	81%	0.813	82%	0.815	S	S	*	*			trans	-116.3	120.8	159.3	-104.6	-43.3	0	0	0	109	D637	D637-N639 PolarHBondContact O-N 2.75Å
640	A	33.3	Very low	33.7	Very low	99 Å²	99	153 Å²	153	82%	0.818	82%	0.821	S	S	*	*			trans	-87.2	114.8	-177.8	0	0	0	0	0	110.4
641	C	28.5	Very low	33.7	Very low	125 Å²	125	154.4 Å²	154.4	85%	0.845	84%	0.842	S	S	*	*			trans	-145.3	138.6	151.8	-154.8	0	0	0	0	110.8
642	T	31	Very low	33.3	Very low	122 Å²	122	149.3 Å²	149.3	75%	0.748	84%	0.836	S	S	*	*			trans	-66.7	147.7	175.7	46.2	0	0	0	0	111.9
643	L	29.5	Very low	33	Very low	161 Å²	161	152.9 Å²	152.9	84%	0.843	85%	0.845	S	S	*	*				-164.8	149.9	111.9	-104.4	164.2	0	0	0	112.6
644	T	33.5	Very low	32.4	Very low	128 Å²	128	156.4 Å²	156.4	79%	0.785	85%	0.85	S	S	*	*			trans	-95.4	135.8	178.4	51.3	0	0	0	0	111.1
645	T	29.7	Very low	32.5	Very low	143 Å²	143	154.2 Å²	154.2	88%	0.877	85%	0.847	S	S	*	*			trans	-136.1	135.2	160.7	-36.3	0	0	0	0	110.3
646	R	32.3	Very low	32.3	Very low	237 Å²	237	155 Å²	155	89%	0.894	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-81.5	144.3	176.6	-63	171.9	176	167.3	-3.3	109.9
647	L	29.8	Very low	32.2	Very low	169 Å²	169	153.1 Å²	153.1	89%	0.885	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-87.2	132.1	158.6	-79.1	167.4	0	0	0	108.8
648	P	35.1	Very low	32.2	Very low	99 Å²	99	154.1 Å²	154.1	64%	0.643	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-77.7	144.8	173.7	32.1	-33.2	0	0	0	110.9	Y650	P648-Y650 HydrophobicContact CB-CD2 4.45Å
649	V	33.6	Very low	32.1	Very low	135 Å²	135	152.8 Å²	152.8	82%	0.818	85%	0.851	S	S	*	*	P	Polyproline II helix	trans	-84.5	134.8	161.2	175.5	0	0	0	0	107.9
650	Y	31.7	Very low	32.5	Very low	212 Å²	212	152.9 Å²	152.9	83%	0.831	85%	0.854	S	S	*	*			trans	-130.6	148.8	158.1	-92.7	-80.6	0	0	0	109.9	P648	P648-Y650 HydrophobicContact CB-CD2 4.45Å
651	T	41.9	Very low	32.4	Very low	205 Å²	205	157.8 Å²	157.8	100%	1.258	86%	0.857	S	S	*	*			trans	-78	0	-176.8	51.8	0	0	0	0	112.6

Retrieved 651 of 651 residues in 120.3 ms (Link to these results)

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