G4VCZ0_SCHMA Loading...

Plus3 domain-containing protein

AlphaFold DB , UniProt , Accession G4VCZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 717 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.8	Very low	42.7	Very low	241 Å²	241	144.4 Å²	144.4	100%	1.187	86%	0.859	S	S	*	*				0	148.1	0	-82.4	176.2	164.4	0	0	109
2	A	41	Very low	42.5	Very low	107 Å²	107	140.4 Å²	140.4	88%	0.884	84%	0.844	S	S	*	*			trans	58.2	150.8	160.1	0	0	0	0	0	120.2
3	K	40.4	Very low	42.3	Very low	215 Å²	215	141.3 Å²	141.3	94%	0.935	84%	0.841	S	S	*	*			trans	-112.6	154.7	-172.1	-61	171.1	175.9	176.2	0	111.6
4	G	49.4	Very low	42.1	Very low	73 Å²	73	141 Å²	141	75%	0.753	83%	0.833	S	S	*	*			trans	-173.7	115.9	160	0	0	0	0	0	107.7
5	R	42.9	Very low	42.3	Very low	231 Å²	231	143.2 Å²	143.2	87%	0.872	84%	0.84	S	S	*	*			cis	101.3	134.1	27.4	-155	-173.1	-150.7	-122.9	4.4	111.4
6	L	43.7	Very low	42.3	Very low	147 Å²	147	144.2 Å²	144.2	77%	0.77	84%	0.841	S	S	*	*			trans	78.8	145.9	175	-47.2	172.2	0	0	0	115.4
7	S	42.3	Very low	42.1	Very low	115 Å²	115	146.7 Å²	146.7	80%	0.804	84%	0.843	S	S	*	*			cis	-175.4	144.1	-21.9	48.4	0	0	0	0	109.2
8	G	45.5	Very low	42.3	Very low	85 Å²	85	144.9 Å²	144.9	88%	0.876	83%	0.834	S	S	*	*			trans	172.2	121.5	171	0	0	0	0	0	113.5
9	S	41.4	Very low	42	Very low	118 Å²	118	147.9 Å²	147.9	83%	0.825	84%	0.837	S	S	*	*			trans	-108.5	152.3	-176.5	48.6	0	0	0	0	112
10	D	40.2	Very low	41.7	Very low	153 Å²	153	152 Å²	152	82%	0.818	84%	0.838	S	S	*	*				168.5	161	107.4	-159.3	13	0	0	0	112.7
11	S	41.6	Very low	41.5	Very low	103 Å²	103	153.1 Å²	153.1	72%	0.72	84%	0.842	S	S	*	*			trans	55	120	174.1	65.1	0	0	0	0	118.9
12	S	39.5	Very low	41.3	Very low	97 Å²	97	150.5 Å²	150.5	68%	0.678	83%	0.827	S	S	*	*				84.8	98.9	63.5	-161.8	0	0	0	0	113.4
13	D	40.4	Very low	41	Very low	152 Å²	152	151.3 Å²	151.3	81%	0.813	83%	0.826	S	S	*	*				-168.5	153.7	105.2	-92.8	-11.1	0	0	0	111.7
14	N	39.9	Very low	40.8	Very low	137 Å²	137	152.7 Å²	152.7	73%	0.733	83%	0.825	S	S	*	*			trans	-90.3	154.5	179.4	-55.4	-74.8	0	0	0	110.3
15	D	44.9	Very low	40.2	Very low	174 Å²	174	158 Å²	158	93%	0.93	83%	0.83	S	S	*	*			trans	-162	104.9	142.2	-97.2	-29.4	0	0	0	110.1
16	D	41.6	Very low	40	Very low	159 Å²	159	156.1 Å²	156.1	85%	0.85	83%	0.828	S	S	*	*			trans	-95.1	102.2	173.1	-87.8	-59.5	0	0	0	109.9
17	E	39.5	Very low	39.9	Very low	187 Å²	187	157.6 Å²	157.6	87%	0.874	83%	0.831	S	S	*	*			trans	-139.1	83	159.7	-141.9	176.8	165.9	0	0	115.6
18	V	44.5	Very low	39.5	Very low	114 Å²	114	163.7 Å²	163.7	69%	0.691	84%	0.837	S	S	*	*			trans	44.2	89.4	133.8	-166.8	0	0	0	0	118.9	W20	V18-W20 PolarHBondContact O-N 3.4Å
19	K	36.9	Very low	39.3	Very low	203 Å²	203	168.4 Å²	168.4	88%	0.883	83%	0.833	S	S	*	*			trans	-27.9	117.5	140.4	-80.4	166.1	167.4	165.3	0	114.3
20	W	36.1	Very low	39.1	Very low	229 Å²	229	169.8 Å²	169.8	87%	0.867	83%	0.829	S	S	*	*			trans	-141.1	13.2	163.9	-125.5	87	0	0	0	117.3	V18	V18-W20 PolarHBondContact O-N 3.4Å
21	L	38.4	Very low	39	Very low	175 Å²	175	167.4 Å²	167.4	92%	0.916	83%	0.825	S	S	*	*	S	Bend	trans	-128.4	29	-176.4	-71.6	176.5	0	0	0	115.9
22	Q	36.8	Very low	39	Very low	186 Å²	186	169 Å²	169	87%	0.869	83%	0.83	S	S	*	*			trans	-141.2	76.5	175.5	-66.2	-173.6	9.4	0	0	113.6
23	S	35.1	Very low	39.1	Very low	124 Å²	124	169.8 Å²	169.8	87%	0.867	83%	0.833	S	S	*	*			trans	-172.8	93	154	-88.7	0	0	0	0	112.8
24	R	35.1	Very low	39.2	Very low	245 Å²	245	168 Å²	168	93%	0.925	83%	0.832	S	S	*	*			trans	-164.9	73	154.5	-114.9	179.4	99.9	177.3	8.9	112.3
25	H	37.7	Very low	39.1	Very low	183 Å²	183	169 Å²	169	85%	0.847	84%	0.838	S	S	*	*			trans	-165.9	137.4	154.7	-114	68.6	0	0	0	111.6
26	K	39.7	Very low	39.1	Very low	192 Å²	192	169.1 Å²	169.1	84%	0.835	83%	0.833	S	S	*	*			trans	68.3	140.8	170.5	-79.7	173.7	178.5	175	0	115.4
27	Q	40.6	Very low	38.8	Very low	178 Å²	178	166.9 Å²	166.9	83%	0.832	83%	0.825	S	S	*	*			cis	-140	163.2	12.3	-61.7	-173.4	8.7	0	0	113.2
28	R	33.2	Very low	38.7	Very low	243 Å²	243	164 Å²	164	92%	0.917	82%	0.82	S	S	*	*			trans	-126.8	124.3	161.9	-77.5	178	67.9	-177.8	2.3	110.2
29	K	41.1	Very low	38.6	Very low	184 Å²	184	167.4 Å²	167.4	80%	0.8	83%	0.828	S	S	*	*			trans	-157.9	120.5	155.7	-79.8	-155.4	174.3	-173.7	0	107.2
30	I	37.9	Very low	38.5	Very low	147 Å²	147	165.2 Å²	165.2	75%	0.754	83%	0.826	S	S	*	*				66.1	119.7	102.1	-61.2	161.8	0	0	0	110.6
31	S	38.8	Very low	38.8	Very low	103 Å²	103	159.6 Å²	159.6	72%	0.72	82%	0.822	S	S	*	*				-169.5	129.7	55.4	30.3	0	0	0	0	116.5
32	V	40	Very low	38.7	Very low	136 Å²	136	161.4 Å²	161.4	82%	0.824	82%	0.822	S	S	*	*			trans	55.5	172.8	130	-121.3	0	0	0	0	122.4
33	P	42.6	Very low	38.7	Very low	114 Å²	114	158.2 Å²	158.2	74%	0.74	82%	0.821	S	S	*	*				-135.8	173.2	-107.9	47.4	-29.9	0	0	0	119.1
34	S	42.9	Very low	39	Very low	115 Å²	115	155.5 Å²	155.5	80%	0.804	81%	0.812	S	S	*	*			trans	174.3	110.8	147.8	51.7	0	0	0	0	108.3
35	D	37.5	Very low	39	Very low	159 Å²	159	147.7 Å²	147.7	85%	0.85	81%	0.808	S	S	*	*				78.3	97.8	70.4	-156.1	17.9	0	0	0	114.3
36	E	44.2	Very low	39.2	Very low	175 Å²	175	145 Å²	145	82%	0.818	80%	0.798	S	S	*	*				176.5	121.3	128.3	-96.4	-167.8	134.7	0	0	112.7
37	T	35.8	Very low	39.4	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.693	79%	0.794	S	S	*	*			trans	17.5	125.1	152.3	59.9	0	0	0	0	122.3
38	T	36.9	Very low	39.4	Very low	125 Å²	125	144.9 Å²	144.9	77%	0.767	80%	0.801	S	S	*	*				176.6	144.3	102.5	29.7	0	0	0	0	115.1
39	H	43.7	Very low	40.4	Very low	187 Å²	187	136.7 Å²	136.7	87%	0.866	79%	0.792	S	S	*	*			trans	62.5	124.8	159.8	-80.2	-75.9	0	0	0	123.3
40	D	33.6	Very low	40.4	Very low	156 Å²	156	134 Å²	134	83%	0.834	78%	0.782	S	S	*	*			trans	-56	131.8	172.2	-91.9	-67.9	0	0	0	114.9
41	S	43.8	Very low	40.7	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	79%	0.785	S	S	*	*			trans	-155.5	76.4	156.7	-80.9	0	0	0	0	111.8	S43	S41-S43 PolarHBondContact O-N 3.16Å
42	K	35.5	Very low	40.8	Very low	213 Å²	213	132.1 Å²	132.1	93%	0.926	78%	0.776	S	S	*	*			trans	2.3	78.9	151.6	-159.4	174.8	-169	173	0	117.2
43	S	37.4	Very low	41.4	Very low	119 Å²	119	130.1 Å²	130.1	83%	0.832	77%	0.768	S	S	*	*			trans	-98.1	105.3	165.5	48.8	0	0	0	0	110.5	S41	S41-S43 PolarHBondContact O-N 3.16Å
44	G	40.3	Very low	41.6	Very low	66 Å²	66	131.7 Å²	131.7	68%	0.68	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-66.9	136	168.4	0	0	0	0	0	109.8	I46	G44-I46 PolarHBondContact O-N 3.15Å; G44-I46 VanDerWaalsContact O-N 3.16Å
45	G	35.3	Very low	41.9	Very low	81 Å²	81	132 Å²	132	84%	0.835	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62.3	116.1	-176.8	0	0	0	0	0	112	E47	G45-E47 PolarHBondContact O-N 3.04Å
46	I	43.1	Very low	42.2	Very low	128 Å²	128	130.4 Å²	130.4	66%	0.656	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-67.7	117.7	170.5	-75.1	162.1	0	0	0	108.5	G44 E50	G44-I46 PolarHBondContact O-N 3.15Å; G44-I46 VanDerWaalsContact O-N 3.16Å; I46-E50 HydrophobicContact CG2-CB 3.99Å; I46-E50 HydrophobicContact CG2-CG 4.48Å
47	E	42.3	Very low	42.5	Very low	160 Å²	160	127.9 Å²	127.9	75%	0.748	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-67.4	146	175.5	-168.7	175.2	166.9	0	0	110	G45 G49 E50	G45-E47 PolarHBondContact O-N 3.04Å; E47-G49 VanDerWaalsContact C-N 3.26Å; E47-G49 PolarHBondContact O-N 3.07Å; E47-E50 PolarHBondContact O-N 3.43Å
48	E	42.1	Very low	43.3	Very low	207 Å²	207	131.4 Å²	131.4	97%	0.967	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	82.5	-178.7	-71.2	-165.2	-178	0	0	111.6
49	G	53	Low	44.1	Very low	71 Å²	71	132.8 Å²	132.8	73%	0.732	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.6	-19.1	-174	0	0	0	0	0	114.7	E47 V51	E47-G49 VanDerWaalsContact C-N 3.26Å; E47-G49 PolarHBondContact O-N 3.07Å; G49-V51 PolarHBondContact O-N 3.31Å
50	E	42.4	Very low	44.9	Very low	126 Å²	126	127.1 Å²	127.1	59%	0.589	73%	0.731	S	S	*	*			trans	-82.8	104.1	176.3	-47.3	-162.2	120.7	0	0	111.5	I46 E47	I46-E50 HydrophobicContact CG2-CB 3.99Å; I46-E50 HydrophobicContact CG2-CG 4.48Å; E47-E50 PolarHBondContact O-N 3.43Å
51	V	44.4	Very low	46.7	Very low	134 Å²	134	125.9 Å²	125.9	81%	0.812	73%	0.725	S	S	*	*			trans	-74.9	125.2	161.4	-79.4	0	0	0	0	109.4	G49 S53	G49-V51 PolarHBondContact O-N 3.31Å; V51-S53 PolarHBondContact O-N 3.03Å
52	S	39.8	Very low	48.2	Very low	78 Å²	78	122.7 Å²	122.7	55%	0.545	70%	0.699	S	S	.	*			trans	-47.6	130.3	169.6	178.3	0	0	0	0	109.7	D54 D55	S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 3.04Å; S52-D55 VanDerWaalsContact CB-OD2 3.3Å; S52-D55 WeakPolarHBondContact CB-OD2 3.29Å; S52-D55 PolarHBondContact OG-OD2 3.38Å
53	S	52.8	Low	50.1	Low	94 Å²	94	115.4 Å²	115.4	66%	0.657	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	14.9	-172.7	57.4	0	0	0	0	114.3	V51	V51-S53 PolarHBondContact O-N 3.03Å
54	D	47.1	Very low	52.3	Low	146 Å²	146	111.4 Å²	111.4	78%	0.781	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.2	4.3	-165.1	-123.7	25.2	0	0	0	113.9	S52	S52-D54 VanDerWaalsContact C-N 3.25Å; S52-D54 PolarHBondContact O-N 3.04Å
55	D	48.1	Very low	54.3	Low	123 Å²	123	111.4 Å²	111.4	66%	0.658	64%	0.638	S	S	*	*	S	Bend	trans	-115.9	9.2	-168.7	-76.5	-71.3	0	0	0	115.2	S52	S52-D55 VanDerWaalsContact CB-OD2 3.3Å; S52-D55 WeakPolarHBondContact CB-OD2 3.29Å; S52-D55 PolarHBondContact OG-OD2 3.38Å
56	L	44.2	Very low	56.4	Low	124 Å²	124	114.1 Å²	114.1	65%	0.649	63%	0.633	S	S	*	*			trans	-146.6	56.3	-171.8	-68.7	176.8	0	0	0	114.3	K107	L56-K107 PolarHBondContact O-NZ 3.19Å; L56-K107 VanDerWaalsContact O-NZ 3.1Å
57	D	52.1	Low	58.2	Low	123 Å²	123	113.3 Å²	113.3	66%	0.658	63%	0.63	S	S	*	*			trans	-120.3	11.9	178.9	-81.7	-17.9	0	0	0	114.9	K107	D57-K107 IonicContact OD1-NZ 3.68Å; D57-K107 PolarHBondContact OD1-NZ 3.06Å
58	E	51.2	Low	60.1	Low	186 Å²	186	106.8 Å²	106.8	87%	0.869	60%	0.6	S	S	*	*	S	Bend	trans	-94.4	-29.3	-173.6	-67.4	-167.1	137.4	0	0	117.2
59	D	53.3	Low	61.9	Low	154 Å²	154	98.2 Å²	98.2	82%	0.824	56%	0.561	S	S	*	*			trans	-131.4	72.1	-173.8	-56	-67.4	0	0	0	114.5
60	E	61.1	Low	63.4	Low	68 Å²	68	96.1 Å²	96.1	32%	0.318	54%	0.539	S	S	.	.			trans	-101.6	9	171.4	-73.3	-167.4	-175.8	0	0	114.3	K104 K107	E60-K104 VanDerWaalsContact OE2-CD 3.26Å; E60-K104 WeakPolarHBondContact OE2-CD 3.34Å; E60-K104 WeakPolarHBondContact OE2-CE 3.48Å; E60-K104 IonicContact OE2-NZ 2.81Å; E60-K104 PolarHBondContact OE2-NZ 3.35Å; E60-K107 WeakPolarHBondContact OE1-CD 3.34Å; E60-K107 IonicContact OE1-NZ 3.96Å; E60-K107 PolarHBondContact OE1-NZ 2.92Å
61	D	71	Confident	65.5	Low	131 Å²	131	92.7 Å²	92.7	70%	0.701	54%	0.538	S	S	*	.			trans	-109.3	131.1	175.1	-169.7	-16.6	0	0	0	109.5	G63	D61-G63 PolarHBondContact OD1-N 3.39Å
62	D	75	Confident	67.2	Low	45 Å²	45	92.4 Å²	92.4	24%	0.241	53%	0.528	C	S	.	.			trans	-88.4	-1.7	178.9	61	-19.6	0	0	0	113.9	L64 R97 I100	D62-L64 PolarHBondContact O-N 2.77Å; D62-R97 VanDerWaalsContact OD2-CB 3.3Å; D62-R97 WeakPolarHBondContact OD2-CB 3.14Å; D62-R97 WeakPolarHBondContact OD2-CD 3.16Å; D62-R97 VanDerWaalsContact OD2-CG 3.25Å; D62-R97 WeakPolarHBondContact OD2-CG 3.35Å; D62-I100 HydrophobicContact CB-CD1 3.97Å
63	G	76.3	Confident	69.2	Low	60 Å²	60	95 Å²	95	62%	0.619	54%	0.535	S	S	*	.			trans	69.2	19.5	173.3	0	0	0	0	0	114.2	D61	D61-G63 PolarHBondContact OD1-N 3.39Å
64	L	83.5	Confident	70.9	Confident	35 Å²	35	92 Å²	92	18%	0.183	51%	0.512	C	S	.	.			trans	-114.8	144.9	-178.5	-67	171	0	0	0	110.4	D62 R93	D62-L64 PolarHBondContact O-N 2.77Å; L64-R93 HydrophobicContact CD1-CB 4.05Å; L64-R93 HydrophobicContact CD1-CG 4.02Å
65	D	82.5	Confident	72.8	Confident	66 Å²	66	91.2 Å²	91.2	35%	0.353	50%	0.502	S	S	.	.			trans	-71.2	179.3	177.1	84.7	-17.6	0	0	0	112.7	N67 L68 I69 R97	D65-N67 PolarHBondContact O-N 3.06Å; D65-N67 VanDerWaalsContact O-N 3.12Å; D65-N67 VanDerWaalsContact OD1-CA 3.23Å; D65-N67 WeakPolarHBondContact OD1-CA 3.3Å; D65-N67 VanDerWaalsContact OD1-CB 3.31Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.46Å; D65-N67 PolarHBondContact OD2-ND2 3.26Å; D65-L68 PolarHBondContact O-N 3.49Å; D65-L68 PolarHBondContact OD1-N 2.93Å; D65-I69 PolarHBondContact N-O 2.91Å; D65-I69 PolarHBondContact OD1-N 3.45Å; D65-R97 PolarHBondContact O-NH1 3.22Å
66	D	80.3	Confident	74.7	Confident	137 Å²	137	92.3 Å²	92.3	73%	0.733	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.5	176.8	-79.4	-35.5	0	0	0	113.7	R97	D66-R97 PolarHBondContact O-NH2 3.45Å; D66-R97 VanDerWaalsContact O-NH2 3.13Å; D66-R97 IonicContact OD1-NH1 2.72Å
67	N	80.8	Confident	76.7	Confident	112 Å²	112	94.4 Å²	94.4	60%	0.599	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	5.4	177.3	-50.1	-66.3	0	0	0	113.6	D65 I69	D65-N67 PolarHBondContact O-N 3.06Å; D65-N67 VanDerWaalsContact O-N 3.12Å; D65-N67 VanDerWaalsContact OD1-CA 3.23Å; D65-N67 WeakPolarHBondContact OD1-CA 3.3Å; D65-N67 VanDerWaalsContact OD1-CB 3.31Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.46Å; D65-N67 PolarHBondContact OD2-ND2 3.26Å; N67-I69 VanDerWaalsContact C-N 3.26Å; N67-I69 HydrophobicContact CB-CD1 4.17Å; N67-I69 HydrophobicContact CB-CG1 4.19Å; N67-I69 PolarHBondContact O-N 2.84Å
68	L	81.5	Confident	78.3	Confident	23 Å²	23	88.6 Å²	88.6	12%	0.12	47%	0.465	C	S	.	.	S	Bend	trans	64.6	25.1	-176	-52.9	163.2	0	0	0	114.1	D65 L90 R93 A94 R97	D65-L68 PolarHBondContact O-N 3.49Å; D65-L68 PolarHBondContact OD1-N 2.93Å; L68-L90 HydrophobicContact CB-CD2 3.92Å; L68-R93 HydrophobicContact CB-CB 4.12Å; L68-R93 HydrophobicContact CD2-CB 4.31Å; L68-R93 VanDerWaalsContact O-CD 3.3Å; L68-R93 WeakPolarHBondContact O-CD 3.42Å; L68-R93 PolarHBondContact O-NH1 3.34Å; L68-A94 HydrophobicContact CD1-CB 3.64Å; L68-R97 HydrophobicContact CD2-CB 4.31Å
69	I	80	Confident	80	Confident	26 Å²	26	83.2 Å²	83.2	13%	0.133	45%	0.452	C	S	.	.			trans	-103.7	136.1	176.3	-56.2	176.8	0	0	0	108.5	D65 N67 K75 L78	D65-I69 PolarHBondContact N-O 2.91Å; D65-I69 PolarHBondContact OD1-N 3.45Å; N67-I69 VanDerWaalsContact C-N 3.26Å; N67-I69 HydrophobicContact CB-CD1 4.17Å; N67-I69 HydrophobicContact CB-CG1 4.19Å; N67-I69 PolarHBondContact O-N 2.84Å; I69-K75 HydrophobicContact CG2-CB 3.84Å; I69-K75 HydrophobicContact CG2-CG 4.25Å; I69-L78 HydrophobicContact CG1-CD1 4.05Å; I69-L78 HydrophobicContact CG2-CD1 4.32Å
70	G	83.1	Confident	81.6	Confident	27 Å²	27	84.7 Å²	84.7	28%	0.278	45%	0.451	S	S	.	.			trans	-85.2	-144.6	174.4	0	0	0	0	0	112.7	D74	G70-D74 PolarHBondContact N-OD2 2.84Å
71	G	86.5	Confident	82.7	Confident	55 Å²	55	83.2 Å²	83.2	57%	0.567	45%	0.445	S	S	*	.	S	Bend	trans	-64.4	178.8	174.7	0	0	0	0	0	114.5	D73 D74 K75	G71-D73 VanDerWaalsContact C-N 3.28Å; G71-D73 PolarHBondContact O-N 3.25Å; G71-D74 WeakPolarHBondContact O-CB 3.45Å; G71-D74 PolarHBondContact O-N 2.84Å; G71-K75 PolarHBondContact O-N 3.36Å; G71-K75 VanDerWaalsContact O-N 3.13Å
72	E	81.7	Confident	83.4	Confident	128 Å²	128	80.8 Å²	80.8	60%	0.598	44%	0.438	S	S	*	.	H	α-helix	trans	-60.6	-33.8	-172.2	-161.6	-178.6	155.8	0	0	113.8	K75 R76	E72-K75 PolarHBondContact O-N 3Å; E72-R76 WeakPolarHBondContact O-CG 3.48Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 3.48Å; E72-R76 IonicContact OE1-NE 3.45Å; E72-R76 PolarHBondContact OE1-NE 3.19Å; E72-R76 IonicContact OE1-NH2 3.86Å; E72-R76 PolarHBondContact OE1-NH2 2.94Å
73	D	82	Confident	83.9	Confident	132 Å²	132	85.9 Å²	85.9	71%	0.706	46%	0.461	S	S	*	.	H	α-helix	trans	-67	-37	175.8	-68.8	-44	0	0	0	112.8	G71 R76 R77	G71-D73 VanDerWaalsContact C-N 3.28Å; G71-D73 PolarHBondContact O-N 3.25Å; D73-R76 PolarHBondContact O-N 2.98Å; D73-R77 PolarHBondContact O-N 3.27Å
74	D	87.1	Confident	84.4	Confident	30 Å²	30	90 Å²	90	16%	0.16	46%	0.461	C	S	.	.	H	α-helix	trans	-68	-41.9	175.9	179.6	63.4	0	0	0	110.9	G70 G71 R76 R77 L78 R93	G70-D74 PolarHBondContact N-OD2 2.84Å; G71-D74 WeakPolarHBondContact O-CB 3.45Å; G71-D74 PolarHBondContact O-N 2.84Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.2Å; D74-R77 WeakPolarHBondContact O-CB 3.48Å; D74-R77 PolarHBondContact O-N 3.45Å; D74-R77 VanDerWaalsContact O-N 3.09Å; D74-L78 WeakPolarHBondContact O-CB 3.42Å; D74-L78 WeakPolarHBondContact O-CG 3.48Å; D74-L78 PolarHBondContact O-N 3.35Å; D74-R93 IonicContact OD1-CZ 3.42Å; D74-R93 IonicContact OD1-NH1 2.75Å; D74-R93 PolarHBondContact OD1-NH1 2.81Å; D74-R93 IonicContact OD1-NH2 3.62Å; D74-R93 PolarHBondContact OD1-NH2 3.36Å; D74-R93 IonicContact OD2-CZ 3.33Å; D74-R93 IonicContact OD2-NH1 3.66Å; D74-R93 PolarHBondContact OD2-NH1 3.16Å; D74-R93 IonicContact OD2-NH2 2.97Å
75	K	87	Confident	84.5	Confident	131 Å²	131	93.1 Å²	93.1	57%	0.57	48%	0.475	S	S	*	.	H	α-helix	trans	-57.7	-40.3	171.6	-170.3	173.9	-177.2	173	0	112.1	I69 G71 E72 A79	I69-K75 HydrophobicContact CG2-CB 3.84Å; I69-K75 HydrophobicContact CG2-CG 4.25Å; G71-K75 PolarHBondContact O-N 3.36Å; G71-K75 VanDerWaalsContact O-N 3.13Å; E72-K75 PolarHBondContact O-N 3Å; K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.4Å; K75-A79 PolarHBondContact O-N 3.5Å; K75-A79 VanDerWaalsContact O-N 3.12Å
76	R	87.7	Confident	84.8	Confident	145 Å²	145	93.8 Å²	93.8	55%	0.547	47%	0.473	S	S	.	.	H	α-helix	trans	-69.5	-34.2	174.9	-70	168.8	-172.2	-120.1	6.8	112.6	E72 D73 D74 K80	E72-R76 WeakPolarHBondContact O-CG 3.48Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE1-CZ 3.48Å; E72-R76 IonicContact OE1-NE 3.45Å; E72-R76 PolarHBondContact OE1-NE 3.19Å; E72-R76 IonicContact OE1-NH2 3.86Å; E72-R76 PolarHBondContact OE1-NH2 2.94Å; D73-R76 PolarHBondContact O-N 2.98Å; D74-R76 VanDerWaalsContact C-N 3.28Å; D74-R76 PolarHBondContact O-N 3.2Å; R76-K80 WeakPolarHBondContact O-CG 3.4Å; R76-K80 PolarHBondContact O-N 2.83Å
77	R	86.6	Confident	85.1	Confident	168 Å²	168	93.3 Å²	93.3	63%	0.634	47%	0.466	S	S	*	.	H	α-helix	trans	-68.3	-51.5	174.6	-176	179.9	175.9	178.2	-1.1	111.3	D73 D74 A79 K80 M81	D73-R77 PolarHBondContact O-N 3.27Å; D74-R77 WeakPolarHBondContact O-CB 3.48Å; D74-R77 PolarHBondContact O-N 3.45Å; D74-R77 VanDerWaalsContact O-N 3.09Å; R77-A79 PolarHBondContact O-N 3.28Å; R77-K80 PolarHBondContact O-N 3.16Å; R77-M81 PolarHBondContact O-N 3.06Å
78	L	86.2	Confident	85.4	Confident	2 Å²	2	92 Å²	92	1%	0.01	46%	0.456	C	S	.	.	H	α-helix	trans	-58.6	-26.4	175.1	-71.3	171.7	0	0	0	113	I69 D74 M81 R86 E89	I69-L78 HydrophobicContact CG1-CD1 4.05Å; I69-L78 HydrophobicContact CG2-CD1 4.32Å; D74-L78 WeakPolarHBondContact O-CB 3.42Å; D74-L78 WeakPolarHBondContact O-CG 3.48Å; D74-L78 PolarHBondContact O-N 3.35Å; L78-M81 HydrophobicContact CD2-CE 3.82Å; L78-R86 HydrophobicContact CB-CG 4.46Å; L78-R86 HydrophobicContact CD2-CG 4.34Å; L78-R86 WeakPolarHBondContact O-CD 3.27Å; L78-R86 PolarHBondContact O-NH1 3.21Å; L78-E89 HydrophobicContact CD2-CB 4.29Å; L78-E89 HydrophobicContact CD2-CG 3.91Å
79	A	86.4	Confident	85.7	Confident	73 Å²	73	93.8 Å²	93.8	60%	0.603	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-11	175.9	0	0	0	0	0	114.4	K75 R77	K75-A79 VanDerWaalsContact O-CB 3.31Å; K75-A79 WeakPolarHBondContact O-CB 3.4Å; K75-A79 PolarHBondContact O-N 3.5Å; K75-A79 VanDerWaalsContact O-N 3.12Å; R77-A79 PolarHBondContact O-N 3.28Å
80	K	87.5	Confident	86	Confident	184 Å²	184	94.4 Å²	94.4	80%	0.8	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-17.8	177.7	-75.1	176.1	178.4	-178.1	0	113.9	R76 R77	R76-K80 WeakPolarHBondContact O-CG 3.4Å; R76-K80 PolarHBondContact O-N 2.83Å; R77-K80 PolarHBondContact O-N 3.16Å
81	M	83.1	Confident	86.2	Confident	38 Å²	38	99.8 Å²	99.8	19%	0.187	48%	0.483	C	S	.	.	S	Bend	trans	-78.7	157.4	177.2	-66.5	-171.1	-45.1	0	0	110.9	R77 L78 E85 E89	R77-M81 PolarHBondContact O-N 3.06Å; L78-M81 HydrophobicContact CD2-CE 3.82Å; M81-E85 HydrophobicContact CB-CB 4.19Å; M81-E85 HydrophobicContact CB-CG 4.05Å; M81-E85 WeakPolarHBondContact CB-OE2 3.43Å; M81-E85 HydrophobicContact CE-CG 4.35Å; M81-E85 HydrophobicContact CG-CG 4.31Å; M81-E85 HydrophobicContact SD-CG 3.89Å; M81-E89 HydrophobicContact CE-CB 4.16Å; M81-E89 HydrophobicContact CE-CG 4.32Å
82	S	87.5	Confident	86.3	Confident	80 Å²	80	102.4 Å²	102.4	56%	0.559	48%	0.479	S	S	*	.			trans	-61.7	150.7	173.8	-175.3	0	0	0	0	110.4	K84 E85 R86	S82-K84 VanDerWaalsContact C-N 3.26Å; S82-K84 PolarHBondContact O-N 3.31Å; S82-E85 WeakPolarHBondContact O-CA 3.4Å; S82-E85 WeakPolarHBondContact O-CB 3.35Å; S82-E85 PolarHBondContact O-N 2.67Å; S82-R86 WeakPolarHBondContact O-CB 3.18Å; S82-R86 PolarHBondContact O-N 3.03Å
83	E	85.7	Confident	86.6	Confident	152 Å²	152	97.1 Å²	97.1	71%	0.71	45%	0.454	S	S	*	.	H	α-helix	trans	-52.2	-44.6	-178	-174.2	168.5	-149.9	0	0	112.2	E85 R86 E87	E83-E85 PolarHBondContact O-N 3.22Å; E83-R86 WeakPolarHBondContact O-CB 3.48Å; E83-R86 PolarHBondContact O-N 3.29Å; E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.9Å
84	K	86.5	Confident	86.9	Confident	145 Å²	145	92.5 Å²	92.5	63%	0.63	43%	0.434	S	S	*	.	H	α-helix	trans	-58	-45.2	173.5	-179.9	-179.2	171.5	-176.9	0	113.3	S82 E87 E88	S82-K84 VanDerWaalsContact C-N 3.26Å; S82-K84 PolarHBondContact O-N 3.31Å; K84-E87 PolarHBondContact O-N 2.84Å; K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 IonicContact NZ-OE1 3.78Å; K84-E88 WeakPolarHBondContact O-CG 2.77Å; K84-E88 PolarHBondContact O-N 3.08Å
85	E	85.5	Confident	86.9	Confident	101 Å²	101	97.1 Å²	97.1	47%	0.472	45%	0.454	S	S	.	.	H	α-helix	trans	-71.5	-35.2	-178	-176.6	-178.5	-159.1	0	0	111.4	M81 S82 E83 E89	M81-E85 HydrophobicContact CB-CB 4.19Å; M81-E85 HydrophobicContact CB-CG 4.05Å; M81-E85 WeakPolarHBondContact CB-OE2 3.43Å; M81-E85 HydrophobicContact CE-CG 4.35Å; M81-E85 HydrophobicContact CG-CG 4.31Å; M81-E85 HydrophobicContact SD-CG 3.89Å; S82-E85 WeakPolarHBondContact O-CA 3.4Å; S82-E85 WeakPolarHBondContact O-CB 3.35Å; S82-E85 PolarHBondContact O-N 2.67Å; E83-E85 PolarHBondContact O-N 3.22Å; E85-E89 WeakPolarHBondContact O-CB 3.2Å; E85-E89 PolarHBondContact O-N 3.02Å
86	R	88.9	Confident	86.7	Confident	81 Å²	81	98.3 Å²	98.3	31%	0.306	46%	0.455	S	S	.	.	H	α-helix	trans	-62.7	-44.7	171.2	179.7	-170.2	174.1	94.7	4.1	111.4	L78 S82 E83 L90	L78-R86 HydrophobicContact CB-CG 4.46Å; L78-R86 HydrophobicContact CD2-CG 4.34Å; L78-R86 WeakPolarHBondContact O-CD 3.27Å; L78-R86 PolarHBondContact O-NH1 3.21Å; S82-R86 WeakPolarHBondContact O-CB 3.18Å; S82-R86 PolarHBondContact O-N 3.03Å; E83-R86 WeakPolarHBondContact O-CB 3.48Å; E83-R86 PolarHBondContact O-N 3.29Å; R86-L90 HydrophobicContact CG-CD1 4.19Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.37Å; R86-L90 PolarHBondContact O-N 2.84Å
87	E	86.7	Confident	86.7	Confident	126 Å²	126	94 Å²	94	59%	0.589	44%	0.439	S	S	*	.	H	α-helix	trans	-67.1	-42.3	176.3	-73.7	-171	160.4	0	0	112.6	E83 K84 E89 L90 F91	E83-E87 WeakPolarHBondContact O-CG 3.43Å; E83-E87 PolarHBondContact O-N 2.9Å; K84-E87 PolarHBondContact O-N 2.84Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.29Å; E87-L90 PolarHBondContact O-N 3.15Å; E87-F91 WeakPolarHBondContact O-CB 3.26Å; E87-F91 PolarHBondContact O-N 3.1Å
88	E	87	Confident	86.6	Confident	86 Å²	86	90.2 Å²	90.2	40%	0.402	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-39.2	175.9	-77.9	-177.6	-157.6	0	0	112.6	K84 F91 K92	K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 IonicContact NZ-OE1 3.78Å; K84-E88 WeakPolarHBondContact O-CG 2.77Å; K84-E88 PolarHBondContact O-N 3.08Å; E88-F91 PolarHBondContact O-N 3.33Å; E88-K92 WeakPolarHBondContact O-CD 3.41Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.39Å; E88-K92 PolarHBondContact O-N 3.15Å
89	E	86.8	Confident	86.4	Confident	59 Å²	59	93 Å²	93	28%	0.276	45%	0.454	S	S	.	.	H	α-helix	trans	-69.3	-43	176.2	178.5	59	-164.2	0	0	111.9	L78 M81 E85 E87 F91 K92 R93	L78-E89 HydrophobicContact CD2-CB 4.29Å; L78-E89 HydrophobicContact CD2-CG 3.91Å; M81-E89 HydrophobicContact CE-CB 4.16Å; M81-E89 HydrophobicContact CE-CG 4.32Å; E85-E89 WeakPolarHBondContact O-CB 3.2Å; E85-E89 PolarHBondContact O-N 3.02Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.29Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 2.89Å; E89-K92 PolarHBondContact O-N 3.42Å; E89-R93 VanDerWaalsContact O-CG 3.29Å; E89-R93 WeakPolarHBondContact O-CG 3.36Å; E89-R93 PolarHBondContact O-N 3.36Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 IonicContact OE1-CZ 2.67Å; E89-R93 IonicContact OE1-NE 3.38Å; E89-R93 PolarHBondContact OE1-NE 3.49Å; E89-R93 IonicContact OE1-NH2 3.49Å; E89-R93 PolarHBondContact OE1-NH2 3.46Å
90	L	86.7	Confident	86.2	Confident	40 Å²	40	92.2 Å²	92.2	21%	0.209	44%	0.44	C	S	.	.	H	α-helix	trans	-61.6	-38.7	172.9	-73.1	167	0	0	0	111.8	L68 R86 E87 R93 A94	L68-L90 HydrophobicContact CB-CD2 3.92Å; R86-L90 HydrophobicContact CG-CD1 4.19Å; R86-L90 VanDerWaalsContact O-CG 3.31Å; R86-L90 WeakPolarHBondContact O-CG 3.37Å; R86-L90 PolarHBondContact O-N 2.84Å; E87-L90 PolarHBondContact O-N 3.15Å; L90-R93 PolarHBondContact O-N 2.93Å; L90-A94 PolarHBondContact O-N 3.41Å
91	F	87.8	Confident	86.1	Confident	140 Å²	140	90.1 Å²	90.1	61%	0.614	43%	0.427	S	S	*	.	H	α-helix	trans	-64.2	-46.1	176.1	-177.8	-94.3	0	0	0	112.3	E87 E88 E89 R93 A94 E95	E87-F91 WeakPolarHBondContact O-CB 3.26Å; E87-F91 PolarHBondContact O-N 3.1Å; E88-F91 PolarHBondContact O-N 3.33Å; E89-F91 VanDerWaalsContact C-N 3.31Å; E89-F91 PolarHBondContact O-N 2.89Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.31Å; F91-A94 WeakPolarHBondContact O-CB 3.31Å; F91-A94 PolarHBondContact O-N 2.82Å; F91-E95 PolarHBondContact O-N 2.88Å
92	K	87.7	Confident	86	Confident	109 Å²	109	91 Å²	91	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-59.4	-37.4	175.2	-72.4	163.1	-172.2	161.2	0	112	E88 E89 R96	E88-K92 WeakPolarHBondContact O-CD 3.41Å; E88-K92 VanDerWaalsContact O-CG 3.28Å; E88-K92 WeakPolarHBondContact O-CG 3.39Å; E88-K92 PolarHBondContact O-N 3.15Å; E89-K92 PolarHBondContact O-N 3.42Å; K92-R96 PolarHBondContact O-N 3.29Å; K92-R96 VanDerWaalsContact O-N 3.09Å
93	R	88.9	Confident	85.5	Confident	18 Å²	18	95.6 Å²	95.6	7%	0.068	45%	0.445	C	S	.	.	H	α-helix	trans	-68.9	-42.3	174.8	-68.4	170.3	-172.3	-158.1	0.8	112.2	L64 L68 D74 E89 L90 F91 E95 R96 R97	L64-R93 HydrophobicContact CD1-CB 4.05Å; L64-R93 HydrophobicContact CD1-CG 4.02Å; L68-R93 HydrophobicContact CB-CB 4.12Å; L68-R93 HydrophobicContact CD2-CB 4.31Å; L68-R93 VanDerWaalsContact O-CD 3.3Å; L68-R93 WeakPolarHBondContact O-CD 3.42Å; L68-R93 PolarHBondContact O-NH1 3.34Å; D74-R93 IonicContact OD1-CZ 3.42Å; D74-R93 IonicContact OD1-NH1 2.75Å; D74-R93 PolarHBondContact OD1-NH1 2.81Å; D74-R93 IonicContact OD1-NH2 3.62Å; D74-R93 PolarHBondContact OD1-NH2 3.36Å; D74-R93 IonicContact OD2-CZ 3.33Å; D74-R93 IonicContact OD2-NH1 3.66Å; D74-R93 PolarHBondContact OD2-NH1 3.16Å; D74-R93 IonicContact OD2-NH2 2.97Å; E89-R93 VanDerWaalsContact O-CG 3.29Å; E89-R93 WeakPolarHBondContact O-CG 3.36Å; E89-R93 PolarHBondContact O-N 3.36Å; E89-R93 VanDerWaalsContact O-N 3.08Å; E89-R93 IonicContact OE1-CZ 2.67Å; E89-R93 IonicContact OE1-NE 3.38Å; E89-R93 PolarHBondContact OE1-NE 3.49Å; E89-R93 IonicContact OE1-NH2 3.49Å; E89-R93 PolarHBondContact OE1-NH2 3.46Å; L90-R93 PolarHBondContact O-N 2.93Å; F91-R93 VanDerWaalsContact C-N 3.27Å; F91-R93 PolarHBondContact O-N 3.31Å; R93-E95 PolarHBondContact O-N 2.69Å; R93-R96 PolarHBondContact O-N 2.93Å; R93-R97 PolarHBondContact O-N 2.62Å
94	A	87.7	Confident	85.2	Confident	35 Å²	35	93.3 Å²	93.3	29%	0.289	43%	0.433	S	S	.	.	H	α-helix	trans	-58.4	-47.3	174.8	0	0	0	0	0	111.4	L68 L90 F91 R96 R97 D98	L68-A94 HydrophobicContact CD1-CB 3.64Å; L90-A94 PolarHBondContact O-N 3.41Å; F91-A94 WeakPolarHBondContact O-CB 3.31Å; F91-A94 PolarHBondContact O-N 2.82Å; A94-R96 VanDerWaalsContact C-N 3.35Å; A94-R96 PolarHBondContact O-N 2.86Å; A94-R97 PolarHBondContact O-N 3.29Å; A94-D98 PolarHBondContact O-N 3.31Å
95	E	86.5	Confident	85.1	Confident	127 Å²	127	88.9 Å²	88.9	59%	0.593	42%	0.423	S	S	*	.	H	α-helix	trans	-61.5	-41.2	177.5	-172.4	176.5	-155	0	0	111.8	F91 R93 D98 A99	F91-E95 PolarHBondContact O-N 2.88Å; R93-E95 PolarHBondContact O-N 2.69Å; E95-D98 PolarHBondContact O-N 3.38Å; E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.16Å
96	R	83.9	Confident	84.7	Confident	156 Å²	156	88.9 Å²	88.9	59%	0.589	43%	0.43	S	S	*	.	H	α-helix	trans	-62.1	-46.5	174.4	-172	-178.1	-67.2	154	0.4	111.8	K92 R93 A94 D98 A99 I100	K92-R96 PolarHBondContact O-N 3.29Å; K92-R96 VanDerWaalsContact O-N 3.09Å; R93-R96 PolarHBondContact O-N 2.93Å; A94-R96 VanDerWaalsContact C-N 3.35Å; A94-R96 PolarHBondContact O-N 2.86Å; R96-D98 PolarHBondContact O-N 2.94Å; R96-A99 PolarHBondContact O-N 3.38Å; R96-I100 HydrophobicContact CG-CD1 4.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.42Å; R96-I100 PolarHBondContact O-N 3.49Å
97	R	87.6	Confident	84.2	Confident	53 Å²	53	89.1 Å²	89.1	20%	0.2	43%	0.433	C	S	.	.	H	α-helix	trans	-63.9	-40.7	179.5	-164.7	157.4	79.5	152.7	-6.5	111.7	D62 D65 D66 L68 R93 A94 I100 R101	D62-R97 VanDerWaalsContact OD2-CB 3.3Å; D62-R97 WeakPolarHBondContact OD2-CB 3.14Å; D62-R97 WeakPolarHBondContact OD2-CD 3.16Å; D62-R97 VanDerWaalsContact OD2-CG 3.25Å; D62-R97 WeakPolarHBondContact OD2-CG 3.35Å; D65-R97 PolarHBondContact O-NH1 3.22Å; D66-R97 PolarHBondContact O-NH2 3.45Å; D66-R97 VanDerWaalsContact O-NH2 3.13Å; D66-R97 IonicContact OD1-NH1 2.72Å; L68-R97 HydrophobicContact CD2-CB 4.31Å; R93-R97 PolarHBondContact O-N 2.62Å; A94-R97 PolarHBondContact O-N 3.29Å; R97-I100 PolarHBondContact O-N 3.48Å; R97-R101 WeakPolarHBondContact O-CB 3.15Å; R97-R101 PolarHBondContact O-N 3.11Å
98	D	84.3	Confident	84	Confident	89 Å²	89	89.8 Å²	89.8	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-69.2	-35.3	174.6	-89.7	-16.5	0	0	0	113.1	A94 E95 R96 R101 A102	A94-D98 PolarHBondContact O-N 3.31Å; E95-D98 PolarHBondContact O-N 3.38Å; R96-D98 PolarHBondContact O-N 2.94Å; D98-R101 PolarHBondContact O-N 2.87Å; D98-R101 IonicContact OD1-CZ 3.34Å; D98-R101 IonicContact OD1-NH1 3.14Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; D98-A102 VanDerWaalsContact O-CB 3.24Å; D98-A102 WeakPolarHBondContact O-CB 3.29Å; D98-A102 PolarHBondContact O-N 2.82Å
99	A	82.8	Confident	83.8	Confident	60 Å²	60	93 Å²	93	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-64	-42	173	0	0	0	0	0	112.2	E95 R96 A102 R103	E95-A99 WeakPolarHBondContact O-CB 3.38Å; E95-A99 PolarHBondContact O-N 3.16Å; R96-A99 PolarHBondContact O-N 3.38Å; A99-A102 PolarHBondContact O-N 3.4Å; A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 3.28Å
100	I	82.2	Confident	83.5	Confident	58 Å²	58	95.8 Å²	95.8	30%	0.297	47%	0.465	S	S	.	.	H	α-helix	trans	-63.1	-48.9	174.3	-67.3	165.6	0	0	0	110.1	D62 R96 R97 A102 R103 K104	D62-I100 HydrophobicContact CB-CD1 3.97Å; R96-I100 HydrophobicContact CG-CD1 4.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.42Å; R96-I100 PolarHBondContact O-N 3.49Å; R97-I100 PolarHBondContact O-N 3.48Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.15Å; I100-R103 PolarHBondContact O-N 3.14Å; I100-K104 WeakPolarHBondContact O-CB 3.36Å; I100-K104 PolarHBondContact O-N 3.02Å
101	R	83.9	Confident	83.3	Confident	139 Å²	139	101.1 Å²	101.1	53%	0.525	49%	0.487	S	S	.	.	H	α-helix	trans	-58.7	-42	177.2	-172.3	-176.7	-68.9	149.2	-9.3	112.2	R97 D98 K104 A105	R97-R101 WeakPolarHBondContact O-CB 3.15Å; R97-R101 PolarHBondContact O-N 3.11Å; D98-R101 PolarHBondContact O-N 2.87Å; D98-R101 IonicContact OD1-CZ 3.34Å; D98-R101 IonicContact OD1-NH1 3.14Å; D98-R101 PolarHBondContact OD1-NH1 2.89Å; R101-K104 PolarHBondContact O-N 3.06Å; R101-A105 WeakPolarHBondContact O-CB 3.28Å; R101-A105 PolarHBondContact O-N 3.36Å
102	A	81.2	Confident	83	Confident	56 Å²	56	98.4 Å²	98.4	46%	0.463	48%	0.476	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175.4	0	0	0	0	0	112	D98 A99 I100 A105 V106	D98-A102 VanDerWaalsContact O-CB 3.24Å; D98-A102 WeakPolarHBondContact O-CB 3.29Å; D98-A102 PolarHBondContact O-N 2.82Å; A99-A102 PolarHBondContact O-N 3.4Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.15Å; A102-A105 PolarHBondContact O-N 3.32Å; A102-V106 WeakPolarHBondContact O-CG2 3.42Å; A102-V106 PolarHBondContact O-N 2.98Å
103	R	76.6	Confident	82.7	Confident	178 Å²	178	100.7 Å²	100.7	67%	0.672	48%	0.481	S	S	*	.	H	α-helix	trans	-60.7	-44.3	175	-172.9	-178.2	-179.6	-143.7	0.8	111.3	A99 I100 V106 K107	A99-R103 WeakPolarHBondContact O-CB 3.37Å; A99-R103 PolarHBondContact O-N 3.28Å; I100-R103 PolarHBondContact O-N 3.14Å; R103-V106 PolarHBondContact O-N 3.48Å; R103-K107 PolarHBondContact O-N 3.43Å
104	K	80.7	Confident	82.4	Confident	104 Å²	104	106.1 Å²	106.1	45%	0.452	50%	0.502	S	S	.	.	H	α-helix	trans	-62.4	-45.4	176.8	-169.9	169.7	-173.2	132.2	0	111.9	E60 I100 R101 V106 K107 Q108	E60-K104 VanDerWaalsContact OE2-CD 3.26Å; E60-K104 WeakPolarHBondContact OE2-CD 3.34Å; E60-K104 WeakPolarHBondContact OE2-CE 3.48Å; E60-K104 IonicContact OE2-NZ 2.81Å; E60-K104 PolarHBondContact OE2-NZ 3.35Å; I100-K104 WeakPolarHBondContact O-CB 3.36Å; I100-K104 PolarHBondContact O-N 3.02Å; R101-K104 PolarHBondContact O-N 3.06Å; K104-V106 VanDerWaalsContact C-N 3.3Å; K104-V106 PolarHBondContact O-N 2.95Å; K104-K107 PolarHBondContact O-N 3.09Å; K104-Q108 WeakPolarHBondContact O-CB 3.31Å; K104-Q108 PolarHBondContact O-N 2.98Å
105	A	83.1	Confident	82.2	Confident	52 Å²	52	110.7 Å²	110.7	43%	0.43	52%	0.517	S	S	.	.	H	α-helix	trans	-61.2	-36.5	174.7	0	0	0	0	0	112.7	R101 A102 K109	R101-A105 WeakPolarHBondContact O-CB 3.28Å; R101-A105 PolarHBondContact O-N 3.36Å; A102-A105 PolarHBondContact O-N 3.32Å; A105-K109 VanDerWaalsContact O-CB 3.24Å; A105-K109 WeakPolarHBondContact O-CB 3.45Å; A105-K109 PolarHBondContact O-N 3.35Å
106	V	77.8	Confident	82.1	Confident	100 Å²	100	111.3 Å²	111.3	61%	0.606	51%	0.514	S	S	*	.	H	α-helix	trans	-70.3	-44.6	173.6	173.1	0	0	0	0	111.8	A102 R103 K104 Q108 K109 L110	A102-V106 WeakPolarHBondContact O-CG2 3.42Å; A102-V106 PolarHBondContact O-N 2.98Å; R103-V106 PolarHBondContact O-N 3.48Å; K104-V106 VanDerWaalsContact C-N 3.3Å; K104-V106 PolarHBondContact O-N 2.95Å; V106-Q108 PolarHBondContact O-N 2.89Å; V106-K109 PolarHBondContact O-N 3.49Å; V106-L110 WeakPolarHBondContact O-CB 3.44Å; V106-L110 PolarHBondContact O-N 3.21Å
107	K	77.8	Confident	81.9	Confident	87 Å²	87	107.8 Å²	107.8	38%	0.378	50%	0.504	S	S	.	.	H	α-helix	trans	-56	-48.2	174.6	-174	178.7	173.4	-173.3	0	110.3	L56 D57 E60 R103 K104 L110 K111	L56-K107 PolarHBondContact O-NZ 3.19Å; L56-K107 VanDerWaalsContact O-NZ 3.1Å; D57-K107 IonicContact OD1-NZ 3.68Å; D57-K107 PolarHBondContact OD1-NZ 3.06Å; E60-K107 WeakPolarHBondContact OE1-CD 3.34Å; E60-K107 IonicContact OE1-NZ 3.96Å; E60-K107 PolarHBondContact OE1-NZ 2.92Å; R103-K107 PolarHBondContact O-N 3.43Å; K104-K107 PolarHBondContact O-N 3.09Å; K107-L110 PolarHBondContact O-N 2.79Å; K107-K111 WeakPolarHBondContact O-CB 3.3Å; K107-K111 PolarHBondContact O-N 2.88Å
108	Q	82.3	Confident	81.7	Confident	139 Å²	139	111.3 Å²	111.3	65%	0.65	52%	0.521	S	S	*	.	H	α-helix	trans	-62.4	-47.5	177.6	-171.1	178.6	13.2	0	0	112.4	K104 V106 L110 K111 E112	K104-Q108 WeakPolarHBondContact O-CB 3.31Å; K104-Q108 PolarHBondContact O-N 2.98Å; V106-Q108 PolarHBondContact O-N 2.89Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 3.35Å; Q108-K111 PolarHBondContact O-N 2.88Å; Q108-E112 WeakPolarHBondContact O-CB 3.37Å; Q108-E112 PolarHBondContact O-N 3.26Å
109	K	83.5	Confident	81.7	Confident	153 Å²	153	109.9 Å²	109.9	67%	0.665	52%	0.522	S	S	*	.	H	α-helix	trans	-66.3	-31.2	179.9	-168.5	171.4	-173.4	172.3	0	113	A105 V106 R113	A105-K109 VanDerWaalsContact O-CB 3.24Å; A105-K109 WeakPolarHBondContact O-CB 3.45Å; A105-K109 PolarHBondContact O-N 3.35Å; V106-K109 PolarHBondContact O-N 3.49Å; K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.26Å; K109-R113 VanDerWaalsContact O-N 3.12Å
110	L	80.7	Confident	81.5	Confident	118 Å²	118	112.6 Å²	112.6	62%	0.618	52%	0.524	S	S	*	.	H	α-helix	trans	-72.1	-41.7	173.1	-170.1	65.5	0	0	0	111.5	V106 K107 Q108 R113 R114	V106-L110 WeakPolarHBondContact O-CB 3.44Å; V106-L110 PolarHBondContact O-N 3.21Å; K107-L110 PolarHBondContact O-N 2.79Å; Q108-L110 VanDerWaalsContact C-N 3.31Å; Q108-L110 PolarHBondContact O-N 3.35Å; L110-R113 PolarHBondContact O-N 2.92Å; L110-R114 PolarHBondContact O-N 3.39Å
111	K	82.1	Confident	81.3	Confident	153 Å²	153	115.9 Å²	115.9	67%	0.665	54%	0.538	S	S	*	.	H	α-helix	trans	-60.2	-50.6	174	-174.2	173.7	-179.5	173.2	0	111.5	K107 Q108 R113 R114 E115	K107-K111 WeakPolarHBondContact O-CB 3.3Å; K107-K111 PolarHBondContact O-N 2.88Å; Q108-K111 PolarHBondContact O-N 2.88Å; K111-R113 VanDerWaalsContact C-N 3.29Å; K111-R113 PolarHBondContact O-N 3.38Å; K111-R114 PolarHBondContact O-N 3.25Å; K111-R114 VanDerWaalsContact O-N 3.15Å; K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 PolarHBondContact O-N 3.26Å
112	E	81.3	Confident	81.2	Confident	83 Å²	83	113.9 Å²	113.9	39%	0.388	54%	0.541	S	S	.	.	H	α-helix	trans	-59.3	-37.6	177.4	-168.2	-161.9	179.5	0	0	112.1	Q108 R116	Q108-E112 WeakPolarHBondContact O-CB 3.37Å; Q108-E112 PolarHBondContact O-N 3.26Å; E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 3.33Å; E112-R116 IonicContact OE1-CZ 2.67Å; E112-R116 IonicContact OE1-NH1 3.57Å; E112-R116 PolarHBondContact OE1-NH1 3.3Å; E112-R116 IonicContact OE1-NH2 2.69Å; E112-R116 PolarHBondContact OE1-NH2 2.99Å; E112-R116 IonicContact OE2-NH1 2.81Å
113	R	81.8	Confident	81.1	Confident	156 Å²	156	113.8 Å²	113.8	59%	0.589	54%	0.54	S	S	*	.	H	α-helix	trans	-66	-48.5	173.5	-178.2	179.2	172.4	-170.1	-7.4	111.9	K109 L110 K111 E115 R116 E117	K109-R113 WeakPolarHBondContact O-CB 3.45Å; K109-R113 PolarHBondContact O-N 3.26Å; K109-R113 VanDerWaalsContact O-N 3.12Å; L110-R113 PolarHBondContact O-N 2.92Å; K111-R113 VanDerWaalsContact C-N 3.29Å; K111-R113 PolarHBondContact O-N 3.38Å; R113-E115 VanDerWaalsContact C-N 3.27Å; R113-E115 PolarHBondContact O-N 3Å; R113-R116 PolarHBondContact O-N 3.31Å; R113-E117 IonicContact CZ-OE1 3.06Å; R113-E117 VanDerWaalsContact CZ-OE1 3.25Å; R113-E117 IonicContact NE-OE1 2.68Å; R113-E117 PolarHBondContact NE-OE1 3.15Å; R113-E117 IonicContact NH2-OE1 2.72Å; R113-E117 PolarHBondContact NH2-OE1 3.07Å; R113-E117 WeakPolarHBondContact O-CG 3.29Å; R113-E117 PolarHBondContact O-N 3.31Å
114	R	82.9	Confident	80.9	Confident	133 Å²	133	108.4 Å²	108.4	50%	0.502	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-37.1	179.5	-165.1	178.8	-168.9	-171.7	5.5	111.4	L110 K111 E117 K118	L110-R114 PolarHBondContact O-N 3.39Å; K111-R114 PolarHBondContact O-N 3.25Å; K111-R114 VanDerWaalsContact O-N 3.15Å; R114-E117 PolarHBondContact O-N 2.8Å; R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.92Å
115	E	83	Confident	80.4	Confident	131 Å²	131	108.1 Å²	108.1	61%	0.612	53%	0.533	S	S	*	.	H	α-helix	trans	-68.6	-43.1	175.7	-170.5	167.9	-164.7	0	0	112.3	K111 R113 E117 K118 A119	K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 PolarHBondContact O-N 3.26Å; R113-E115 VanDerWaalsContact C-N 3.27Å; R113-E115 PolarHBondContact O-N 3Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E115-E117 PolarHBondContact O-N 2.89Å; E115-K118 PolarHBondContact O-N 2.95Å; E115-A119 WeakPolarHBondContact O-CB 3.18Å; E115-A119 PolarHBondContact O-N 3.33Å
116	R	83.6	Confident	79.6	Confident	139 Å²	139	108.6 Å²	108.6	53%	0.525	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-38.2	171.6	-78.3	-171.7	179.7	110	8.1	113.3	E112 R113 Q120	E112-R116 WeakPolarHBondContact O-CG 3.35Å; E112-R116 PolarHBondContact O-N 3.33Å; E112-R116 IonicContact OE1-CZ 2.67Å; E112-R116 IonicContact OE1-NH1 3.57Å; E112-R116 PolarHBondContact OE1-NH1 3.3Å; E112-R116 IonicContact OE1-NH2 2.69Å; E112-R116 PolarHBondContact OE1-NH2 2.99Å; E112-R116 IonicContact OE2-NH1 2.81Å; R113-R116 PolarHBondContact O-N 3.31Å; R116-Q120 WeakPolarHBondContact O-CB 3.46Å; R116-Q120 VanDerWaalsContact O-CG 3.28Å; R116-Q120 WeakPolarHBondContact O-CG 3.42Å; R116-Q120 PolarHBondContact O-N 2.86Å; R116-Q120 PolarHBondContact O-NE2 2.93Å
117	E	81.3	Confident	78.7	Confident	82 Å²	82	112 Å²	112	38%	0.383	54%	0.54	S	S	.	.	H	α-helix	trans	-68.8	-42.7	177.4	-74.6	171.3	177.8	0	0	111	R113 R114 E115 Q120 Q121	R113-E117 IonicContact CZ-OE1 3.06Å; R113-E117 VanDerWaalsContact CZ-OE1 3.25Å; R113-E117 IonicContact NE-OE1 2.68Å; R113-E117 PolarHBondContact NE-OE1 3.15Å; R113-E117 IonicContact NH2-OE1 2.72Å; R113-E117 PolarHBondContact NH2-OE1 3.07Å; R113-E117 WeakPolarHBondContact O-CG 3.29Å; R113-E117 PolarHBondContact O-N 3.31Å; R114-E117 PolarHBondContact O-N 2.8Å; E115-E117 VanDerWaalsContact C-N 3.34Å; E115-E117 PolarHBondContact O-N 2.89Å; E117-Q120 PolarHBondContact O-N 3.43Å; E117-Q121 PolarHBondContact O-N 3.06Å
118	K	83	Confident	77.7	Confident	127 Å²	127	115.6 Å²	115.6	55%	0.552	56%	0.558	S	S	*	*	H	α-helix	trans	-59.8	-47	170.9	-76.5	-178.1	176.1	-172	0	112.4	R114 E115 Q120 Q121 V122	R114-K118 WeakPolarHBondContact O-CG 3.41Å; R114-K118 PolarHBondContact O-N 2.92Å; E115-K118 PolarHBondContact O-N 2.95Å; K118-Q120 VanDerWaalsContact C-N 3.31Å; K118-Q120 PolarHBondContact O-N 3.4Å; K118-Q121 PolarHBondContact O-N 2.85Å; K118-V122 WeakPolarHBondContact O-CG2 3.26Å; K118-V122 PolarHBondContact O-N 3.21Å
119	A	83.2	Confident	76.4	Confident	59 Å²	59	116 Å²	116	49%	0.488	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-37.2	178.7	0	0	0	0	0	112.4	E115 A123	E115-A119 WeakPolarHBondContact O-CB 3.18Å; E115-A119 PolarHBondContact O-N 3.33Å; A119-A123 VanDerWaalsContact O-CB 3.28Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 2.94Å
120	Q	80	Confident	75	Confident	117 Å²	117	114.2 Å²	114.2	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-67.6	-40.4	174.1	-76.2	171	56.3	0	0	112.5	R116 E117 K118 A123 S124	R116-Q120 WeakPolarHBondContact O-CB 3.46Å; R116-Q120 VanDerWaalsContact O-CG 3.28Å; R116-Q120 WeakPolarHBondContact O-CG 3.42Å; R116-Q120 PolarHBondContact O-N 2.86Å; R116-Q120 PolarHBondContact O-NE2 2.93Å; E117-Q120 PolarHBondContact O-N 3.43Å; K118-Q120 VanDerWaalsContact C-N 3.31Å; K118-Q120 PolarHBondContact O-N 3.4Å; Q120-A123 PolarHBondContact O-N 2.87Å; Q120-S124 WeakPolarHBondContact O-CB 2.97Å; Q120-S124 PolarHBondContact O-N 2.97Å; Q120-S124 PolarHBondContact O-OG 2.85Å
121	Q	77.7	Confident	73	Confident	127 Å²	127	112 Å²	112	59%	0.593	57%	0.572	S	S	*	*	H	α-helix	trans	-60.6	-50.8	173.3	-74.9	-175.7	-2.7	0	0	111.4	E117 K118 A123 S124 L125	E117-Q121 PolarHBondContact O-N 3.06Å; K118-Q121 PolarHBondContact O-N 2.85Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.12Å; Q121-S124 PolarHBondContact O-N 3.4Å; Q121-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-OG 3.42Å; Q121-L125 PolarHBondContact O-N 3.13Å
122	V	81.8	Confident	70.8	Confident	98 Å²	98	112.1 Å²	112.1	59%	0.594	58%	0.58	S	S	*	*	H	α-helix	trans	-59.4	-41.8	178.5	176.1	0	0	0	0	111.8	K118 S124 L125 S126	K118-V122 WeakPolarHBondContact O-CG2 3.26Å; K118-V122 PolarHBondContact O-N 3.21Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.18Å; V122-L125 PolarHBondContact O-N 2.82Å; V122-S126 PolarHBondContact O-N 3.42Å; V122-S126 PolarHBondContact O-OG 3.29Å
123	A	78.1	Confident	68.9	Low	53 Å²	53	112.9 Å²	112.9	44%	0.438	59%	0.594	S	S	.	*	H	α-helix	trans	-68.9	-25.2	176.8	0	0	0	0	0	114.2	A119 Q120 Q121 S126	A119-A123 VanDerWaalsContact O-CB 3.28Å; A119-A123 WeakPolarHBondContact O-CB 3.29Å; A119-A123 PolarHBondContact O-N 2.94Å; Q120-A123 PolarHBondContact O-N 2.87Å; Q121-A123 VanDerWaalsContact C-N 3.33Å; Q121-A123 PolarHBondContact O-N 3.12Å; A123-S126 PolarHBondContact O-OG 3.31Å
124	S	73.6	Confident	67	Low	66 Å²	66	113 Å²	113	46%	0.462	61%	0.607	S	S	.	*	H	α-helix	trans	-78.4	-40	173.6	71.2	0	0	0	0	112.1	Q120 Q121 V122 K127 Q128	Q120-S124 WeakPolarHBondContact O-CB 2.97Å; Q120-S124 PolarHBondContact O-N 2.97Å; Q120-S124 PolarHBondContact O-OG 2.85Å; Q121-S124 PolarHBondContact O-N 3.4Å; Q121-S124 VanDerWaalsContact O-N 3.08Å; Q121-S124 PolarHBondContact O-OG 3.42Å; V122-S124 VanDerWaalsContact C-N 3.31Å; V122-S124 PolarHBondContact O-N 3.18Å; S124-K127 PolarHBondContact O-N 3.12Å; S124-Q128 PolarHBondContact O-N 3.42Å
125	L	70.3	Confident	65	Low	98 Å²	98	116.1 Å²	116.1	51%	0.513	62%	0.624	S	S	.	*	H	α-helix	trans	-66	-44.1	175.5	-76.8	159	0	0	0	112.1	Q121 V122 K127 Q128 L129	Q121-L125 PolarHBondContact O-N 3.13Å; V122-L125 PolarHBondContact O-N 2.82Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.67Å; L125-Q128 PolarHBondContact O-N 3.5Å; L125-Q128 VanDerWaalsContact O-N 3.14Å; L125-L129 PolarHBondContact O-N 2.88Å
126	S	64.8	Low	63.1	Low	62 Å²	62	115.4 Å²	115.4	43%	0.434	63%	0.633	S	S	.	*	H	α-helix	trans	-64.3	-35.1	177.6	64.3	0	0	0	0	112.6	V122 A123 Q128 L129 T130	V122-S126 PolarHBondContact O-N 3.42Å; V122-S126 PolarHBondContact O-OG 3.29Å; A123-S126 PolarHBondContact O-OG 3.31Å; S126-Q128 VanDerWaalsContact C-N 3.33Å; S126-Q128 PolarHBondContact O-N 2.89Å; S126-L129 PolarHBondContact O-N 3.03Å; S126-T130 PolarHBondContact O-N 2.85Å; S126-T130 PolarHBondContact O-OG1 3.39Å
127	K	60.7	Low	61.1	Low	171 Å²	171	118.3 Å²	118.3	74%	0.743	65%	0.65	S	S	*	*	H	α-helix	trans	-70.1	-22.8	173.7	-85.6	-176.9	172.5	-179.2	0	114.7	S124 L125	S124-K127 PolarHBondContact O-N 3.12Å; L125-K127 VanDerWaalsContact C-N 3.31Å; L125-K127 PolarHBondContact O-N 2.67Å
128	Q	55.5	Low	59.2	Low	162 Å²	162	126.4 Å²	126.4	76%	0.757	68%	0.677	S	S	*	*	H	α-helix	trans	-82.2	-17.2	173.2	-75.2	-173.8	-23.1	0	0	113	S124 L125 S126	S124-Q128 PolarHBondContact O-N 3.42Å; L125-Q128 PolarHBondContact O-N 3.5Å; L125-Q128 VanDerWaalsContact O-N 3.14Å; S126-Q128 VanDerWaalsContact C-N 3.33Å; S126-Q128 PolarHBondContact O-N 2.89Å
129	L	55.7	Low	57.4	Low	147 Å²	147	125.3 Å²	125.3	77%	0.77	69%	0.685	S	S	*	*	H	α-helix	trans	-99.6	-4.6	-176.5	-71.7	166.1	0	0	0	114.7	L125 S126	L125-L129 PolarHBondContact O-N 2.88Å; S126-L129 PolarHBondContact O-N 3.03Å
130	T	53.4	Low	55.2	Low	117 Å²	117	127.2 Å²	127.2	72%	0.718	70%	0.701	S	S	*	*	S	Bend	trans	-122.2	17.5	-174	59.1	0	0	0	0	114.9	S126	S126-T130 PolarHBondContact O-N 2.85Å; S126-T130 PolarHBondContact O-OG1 3.39Å
131	G	40.1	Very low	53.7	Low	72 Å²	72	132.4 Å²	132.4	74%	0.742	72%	0.717	S	S	*	*			trans	-116.1	64.8	-173.2	0	0	0	0	0	114.9
132	D	35.9	Very low	52.2	Low	155 Å²	155	134.2 Å²	134.2	83%	0.829	73%	0.725	S	S	*	*			trans	-116.3	141.2	170.5	-158.6	-2.7	0	0	0	112.2
133	S	41.4	Very low	50.6	Low	98 Å²	98	136.6 Å²	136.6	69%	0.685	74%	0.735	S	S	*	*			trans	54.5	103.1	178.2	70.6	0	0	0	0	117.8
134	N	42	Very low	49	Very low	160 Å²	160	139.4 Å²	139.4	86%	0.856	75%	0.746	S	S	*	*				-172.4	155.9	84.8	-128.9	-35.1	0	0	0	114.4
135	K	39.3	Very low	47.5	Very low	197 Å²	197	145.8 Å²	145.8	86%	0.857	77%	0.766	S	S	*	*			trans	-74.2	139.7	179.3	-71.6	163.6	174.1	164.7	0	112.1
136	S	44.3	Very low	46	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	78%	0.78	S	S	*	*				-168.9	141.5	107.6	-164.4	0	0	0	0	112.3
137	K	40.8	Very low	44.8	Very low	200 Å²	200	151 Å²	151	87%	0.87	80%	0.798	S	S	*	*			trans	-86.5	126.3	179.3	-59.5	172.3	178.8	178.6	0	110
138	R	42	Very low	44.2	Very low	252 Å²	252	147.2 Å²	147.2	95%	0.951	79%	0.793	S	S	*	*			trans	-141.1	145.3	152.5	-93.4	179	82.4	152	-0.5	111.2
139	S	45.4	Very low	43.6	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	79%	0.79	S	S	*	*			trans	-90	114.8	-156.8	-178.7	0	0	0	0	114.5	Y141	S139-Y141 VanDerWaalsContact C-N 3.26Å; S139-Y141 PolarHBondContact O-N 2.97Å
140	A	37.3	Very low	43.1	Very low	98 Å²	98	146.3 Å²	146.3	81%	0.81	80%	0.795	S	S	*	*	S	Bend		28.3	17.5	126.6	0	0	0	0	0	123.9
141	Y	47.1	Very low	42.7	Very low	226 Å²	226	144.7 Å²	144.7	89%	0.886	79%	0.793	S	S	*	*			trans	-147.6	31.9	-175.5	-127.9	-83.7	0	0	0	117	S139	S139-Y141 VanDerWaalsContact C-N 3.26Å; S139-Y141 PolarHBondContact O-N 2.97Å
142	H	46.2	Very low	42.9	Very low	165 Å²	165	149 Å²	149	76%	0.764	79%	0.794	S	S	*	*			trans	-118.1	-32.4	-173.2	-167	-87.9	0	0	0	117.1	V144	H142-V144 PolarHBondContact O-N 3.44Å
143	N	48.1	Very low	42.8	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	79%	0.792	S	S	*	*			trans	-105.9	62.7	-165.2	-66.7	0.6	0	0	0	113.2
144	V	45.5	Very low	42.8	Very low	112 Å²	112	149.6 Å²	149.6	68%	0.679	80%	0.799	S	S	*	*	S	Bend	trans	-115.9	127.6	159.2	-167.3	0	0	0	0	106.1	H142	H142-V144 PolarHBondContact O-N 3.44Å
145	F	42	Very low	42.3	Very low	199 Å²	199	150.5 Å²	150.5	87%	0.873	80%	0.803	S	S	*	*			trans	81.2	144.3	-175.7	-49.4	-73.5	0	0	0	117.6
146	S	39.7	Very low	42.3	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	80%	0.798	S	S	*	*			trans	80.1	101.2	-161	-145	0	0	0	0	112.9
147	D	39.3	Very low	41.9	Very low	152 Å²	152	146.3 Å²	146.3	81%	0.813	80%	0.799	S	S	*	*			cis	69.6	147.3	24.7	-146.7	13	0	0	0	115.6
148	S	46.6	Very low	41.6	Very low	92 Å²	92	140.1 Å²	140.1	64%	0.643	79%	0.792	S	S	*	*			trans	79.6	103.2	-164.3	-87.3	0	0	0	0	118.8
149	D	43.8	Very low	41.6	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	78%	0.784	S	S	*	*				58.3	118.5	119.8	-43.2	-42.9	0	0	0	120.6
150	D	45.8	Very low	41.5	Very low	162 Å²	162	132.1 Å²	132.1	87%	0.866	77%	0.769	S	S	*	*				169.6	168.1	89.2	-111.8	-42.4	0	0	0	114
151	A	44.1	Very low	42.3	Very low	83 Å²	83	132.6 Å²	132.6	69%	0.686	76%	0.764	S	S	*	*			trans	79.8	95.9	158.5	0	0	0	0	0	122
152	E	45.6	Very low	42.6	Very low	162 Å²	162	130.5 Å²	130.5	76%	0.757	76%	0.759	S	S	*	*				58.4	112.8	117.4	-63.8	-61.1	152.3	0	0	122.9
153	N	33.4	Very low	42.8	Very low	148 Å²	148	123.2 Å²	123.2	79%	0.791	73%	0.729	S	S	*	*			trans	17.8	117.2	139.6	-67.5	-58.9	0	0	0	121.1
154	S	39.8	Very low	43.2	Very low	118 Å²	118	122.3 Å²	122.3	83%	0.825	72%	0.723	S	S	*	*			trans	-158.7	131.4	130.6	44	0	0	0	0	112.6	S156	S154-S156 PolarHBondContact O-N 3.29Å
155	D	32.7	Very low	44.2	Very low	178 Å²	178	126.2 Å²	126.2	95%	0.952	73%	0.726	S	S	*	*			trans	-69	116.9	169.5	-105.8	-41.5	0	0	0	109.8
156	S	39.7	Very low	45.6	Very low	107 Å²	107	123.4 Å²	123.4	75%	0.748	72%	0.716	S	S	*	*			trans	-159.7	133.7	167.1	-170	0	0	0	0	113.8	S154	S154-S156 PolarHBondContact O-N 3.29Å
157	S	35.1	Very low	46.8	Very low	118 Å²	118	126.8 Å²	126.8	83%	0.825	71%	0.71	S	S	*	*			trans	-51.6	124.8	174.8	48.7	0	0	0	0	114.8
158	G	35	Very low	48.5	Very low	71 Å²	71	126.5 Å²	126.5	73%	0.732	70%	0.702	S	S	*	*			trans	171.1	36.3	172.6	0	0	0	0	0	119.1	G160	G158-G160 PolarHBondContact O-N 3.37Å
159	L	41	Very low	49.9	Very low	147 Å²	147	126 Å²	126	77%	0.77	69%	0.691	S	S	*	*			trans	-83	88.6	-172	-67.1	178.1	0	0	0	114.5
160	G	42.9	Very low	51.6	Low	41 Å²	41	122.4 Å²	122.4	42%	0.423	68%	0.68	S	S	.	*			trans	-65.6	-175.5	167.7	0	0	0	0	0	114.7	G158 K162 G163	G158-G160 PolarHBondContact O-N 3.37Å; G160-K162 PolarHBondContact O-N 2.9Å; G160-G163 PolarHBondContact O-N 2.82Å
161	P	54.5	Low	53	Low	108 Å²	108	119.6 Å²	119.6	70%	0.701	66%	0.664	S	S	*	*	H	α-helix	trans	-55.9	-23.8	-164.4	-29.3	35.9	0	0	0	117.2
162	K	53.8	Low	54.6	Low	182 Å²	182	121.1 Å²	121.1	79%	0.791	66%	0.657	S	S	*	*	H	α-helix	trans	-69.4	-32.7	175.3	-64.4	-178	179.5	179.6	0	112.5	G160 R165 Q166	G160-K162 PolarHBondContact O-N 2.9Å; K162-R165 PolarHBondContact O-N 3.19Å; K162-Q166 PolarHBondContact O-N 2.91Å
163	G	50.4	Low	56.2	Low	12 Å²	12	120.6 Å²	120.6	12%	0.124	65%	0.652	C	S	.	*	H	α-helix	trans	-67.6	-35.3	178.4	0	0	0	0	0	113.4	G160 R165 Q166 R167	G160-G163 PolarHBondContact O-N 2.82Å; G163-R165 VanDerWaalsContact C-N 3.34Å; G163-R165 PolarHBondContact O-N 2.9Å; G163-Q166 PolarHBondContact O-N 3.08Å; G163-R167 WeakPolarHBondContact O-CB 3.49Å; G163-R167 PolarHBondContact O-N 3.18Å
164	L	56.3	Low	58.3	Low	130 Å²	130	121 Å²	121	68%	0.681	65%	0.647	S	S	*	*	H	α-helix	trans	-62.9	-40	174.2	-103	83	0	0	0	112.2	R167 K168	L164-R167 PolarHBondContact O-N 3.3Å; L164-K168 WeakPolarHBondContact O-CB 3.45Å; L164-K168 PolarHBondContact O-N 3.14Å
165	R	67	Low	60.1	Low	194 Å²	194	123 Å²	123	73%	0.732	64%	0.641	S	S	*	*	H	α-helix	trans	-67.9	-42.6	179.3	-167.6	174.2	175.4	-170.2	-2.7	111.2	K162 G163 K168 I169	K162-R165 PolarHBondContact O-N 3.19Å; G163-R165 VanDerWaalsContact C-N 3.34Å; G163-R165 PolarHBondContact O-N 2.9Å; R165-K168 PolarHBondContact O-N 3.08Å; R165-I169 HydrophobicContact CG-CD1 4.21Å; R165-I169 WeakPolarHBondContact O-CD1 3.31Å; R165-I169 VanDerWaalsContact O-CG1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.35Å
166	Q	70.7	Confident	62.4	Low	141 Å²	141	118.1 Å²	118.1	66%	0.659	62%	0.617	S	S	*	*	H	α-helix	trans	-62.9	-42.2	172.2	-73.4	179.2	-14.7	0	0	112.2	K162 G163 K168 I169 A170	K162-Q166 PolarHBondContact O-N 2.91Å; G163-Q166 PolarHBondContact O-N 3.08Å; Q166-K168 PolarHBondContact O-N 2.96Å; Q166-I169 PolarHBondContact O-N 3.45Å; Q166-A170 WeakPolarHBondContact O-CB 3.41Å; Q166-A170 PolarHBondContact O-N 2.98Å
167	R	65.4	Low	64.2	Low	187 Å²	187	115.3 Å²	115.3	71%	0.706	60%	0.6	S	S	*	*	H	α-helix	trans	-64.8	-36.8	176.8	-163.5	176.8	-171.1	-177.2	4.3	112.5	G163 L164 A170 L171	G163-R167 WeakPolarHBondContact O-CB 3.49Å; G163-R167 PolarHBondContact O-N 3.18Å; L164-R167 PolarHBondContact O-N 3.3Å; R167-A170 PolarHBondContact O-N 3.09Å; R167-L171 HydrophobicContact CG-CD1 4.44Å; R167-L171 WeakPolarHBondContact O-CB 3.47Å; R167-L171 WeakPolarHBondContact O-CG 3.49Å; R167-L171 PolarHBondContact O-N 2.94Å
168	K	75.5	Confident	66.1	Low	146 Å²	146	115.2 Å²	115.2	64%	0.635	59%	0.59	S	S	*	*	H	α-helix	trans	-63.2	-49.5	172.2	-172.1	177.8	177.8	-176.5	0	111	L164 R165 Q166 A170 L171 E172	L164-K168 WeakPolarHBondContact O-CB 3.45Å; L164-K168 PolarHBondContact O-N 3.14Å; R165-K168 PolarHBondContact O-N 3.08Å; Q166-K168 PolarHBondContact O-N 2.96Å; K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 2.84Å; K168-L171 PolarHBondContact O-N 3.24Å; K168-E172 WeakPolarHBondContact O-CB 3.42Å; K168-E172 PolarHBondContact O-N 3.09Å
169	I	76.7	Confident	68.2	Low	82 Å²	82	118.6 Å²	118.6	42%	0.421	58%	0.581	S	S	.	*	H	α-helix	trans	-60.8	-39.6	177	-66.6	163.5	0	0	0	111.3	R165 Q166 E172 K173	R165-I169 HydrophobicContact CG-CD1 4.21Å; R165-I169 WeakPolarHBondContact O-CD1 3.31Å; R165-I169 VanDerWaalsContact O-CG1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.46Å; R165-I169 PolarHBondContact O-N 3.35Å; Q166-I169 PolarHBondContact O-N 3.45Å; I169-E172 PolarHBondContact O-N 3.31Å; I169-K173 HydrophobicContact CG2-CD 4.39Å; I169-K173 WeakPolarHBondContact O-CB 3.31Å; I169-K173 WeakPolarHBondContact O-CG 3.23Å; I169-K173 PolarHBondContact O-N 2.78Å
170	A	78.5	Confident	70.1	Confident	54 Å²	54	114.6 Å²	114.6	45%	0.446	56%	0.56	S	S	.	*	H	α-helix	trans	-68.3	-39.6	177.4	0	0	0	0	0	112.8	Q166 R167 K168 K174	Q166-A170 WeakPolarHBondContact O-CB 3.41Å; Q166-A170 PolarHBondContact O-N 2.98Å; R167-A170 PolarHBondContact O-N 3.09Å; K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 2.84Å; A170-K174 WeakPolarHBondContact O-CB 3.49Å; A170-K174 PolarHBondContact O-N 3.17Å
171	L	75.1	Confident	72	Confident	102 Å²	102	119.3 Å²	119.3	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-66.6	-37.4	173.2	-77.8	168.2	0	0	0	112	R167 K168 K174 K175	R167-L171 HydrophobicContact CG-CD1 4.44Å; R167-L171 WeakPolarHBondContact O-CB 3.47Å; R167-L171 WeakPolarHBondContact O-CG 3.49Å; R167-L171 PolarHBondContact O-N 2.94Å; K168-L171 PolarHBondContact O-N 3.24Å; L171-K174 PolarHBondContact O-N 3.1Å; L171-K175 WeakPolarHBondContact O-CG 3.39Å; L171-K175 PolarHBondContact O-N 2.95Å
172	E	77.1	Confident	73.1	Confident	115 Å²	115	120.5 Å²	120.5	54%	0.537	56%	0.564	S	S	.	*	H	α-helix	trans	-69.2	-45.9	177.2	-166.1	149	-142.5	0	0	111.3	K168 I169 K174 K175 V176	K168-E172 WeakPolarHBondContact O-CB 3.42Å; K168-E172 PolarHBondContact O-N 3.09Å; I169-E172 PolarHBondContact O-N 3.31Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 3.36Å; E172-K175 PolarHBondContact O-N 3.37Å; E172-K175 VanDerWaalsContact O-N 3.1Å; E172-V176 WeakPolarHBondContact O-CG2 3.32Å; E172-V176 PolarHBondContact O-N 3.48Å
173	K	79.7	Confident	74.6	Confident	151 Å²	151	116.5 Å²	116.5	66%	0.657	55%	0.548	S	S	*	.	H	α-helix	trans	-57.4	-41.5	169.3	-75.9	-174.2	175.8	-170.5	0	112.4	I169 V176 A177	I169-K173 HydrophobicContact CG2-CD 4.39Å; I169-K173 WeakPolarHBondContact O-CB 3.31Å; I169-K173 WeakPolarHBondContact O-CG 3.23Å; I169-K173 PolarHBondContact O-N 2.78Å; K173-V176 PolarHBondContact O-N 2.99Å; K173-A177 VanDerWaalsContact O-CB 3.3Å; K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.06Å
174	K	78.6	Confident	76.2	Confident	157 Å²	157	122.2 Å²	122.2	68%	0.683	57%	0.571	S	S	*	*	H	α-helix	trans	-64.1	-38.2	173.5	-89.5	-171.5	171.5	-176.4	0	112.8	A170 L171 E172 N178	A170-K174 WeakPolarHBondContact O-CB 3.49Å; A170-K174 PolarHBondContact O-N 3.17Å; L171-K174 PolarHBondContact O-N 3.1Å; E172-K174 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 3.36Å; K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 3.42Å
175	K	77.7	Confident	77.4	Confident	161 Å²	161	121.3 Å²	121.3	70%	0.7	57%	0.566	S	S	*	*	H	α-helix	trans	-66.8	-44.5	175.7	-79.2	-177.4	176.7	-173.9	0	112.2	L171 E172 N178 R179	L171-K175 WeakPolarHBondContact O-CG 3.39Å; L171-K175 PolarHBondContact O-N 2.95Å; E172-K175 PolarHBondContact O-N 3.37Å; E172-K175 VanDerWaalsContact O-N 3.1Å; K175-N178 PolarHBondContact O-N 3.44Å; K175-R179 PolarHBondContact O-N 3.48Å
176	V	79.6	Confident	78.2	Confident	74 Å²	74	115.7 Å²	115.7	45%	0.448	55%	0.55	S	S	.	*	H	α-helix	trans	-61.8	-50.7	175.7	174.3	0	0	0	0	110.1	E172 K173 N178 R179 D180	E172-V176 WeakPolarHBondContact O-CG2 3.32Å; E172-V176 PolarHBondContact O-N 3.48Å; K173-V176 PolarHBondContact O-N 2.99Å; V176-N178 VanDerWaalsContact C-N 3.3Å; V176-N178 PolarHBondContact O-N 2.82Å; V176-R179 WeakPolarHBondContact O-CA 3.16Å; V176-R179 WeakPolarHBondContact O-CB 3.27Å; V176-R179 PolarHBondContact O-N 2.84Å; V176-D180 VanDerWaalsContact CG1-OD2 3.28Å; V176-D180 WeakPolarHBondContact CG1-OD2 3.47Å; V176-D180 VanDerWaalsContact O-CG 3.24Å; V176-D180 PolarHBondContact O-N 3.34Å
177	A	78.5	Confident	78.9	Confident	48 Å²	48	114.9 Å²	114.9	40%	0.397	55%	0.546	S	S	.	.	H	α-helix	trans	-58.6	-36.6	177.4	0	0	0	0	0	113.7	K173 K181	K173-A177 VanDerWaalsContact O-CB 3.3Å; K173-A177 WeakPolarHBondContact O-CB 3.4Å; K173-A177 PolarHBondContact O-N 3.06Å; A177-K181 WeakPolarHBondContact O-CB 3.45Å; A177-K181 VanDerWaalsContact O-CG 3.32Å; A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.37Å
178	N	75.1	Confident	80	Confident	116 Å²	116	113.7 Å²	113.7	62%	0.62	54%	0.542	S	S	*	.	H	α-helix	trans	-70.9	-35.5	173.1	-100.1	-4.6	0	0	0	112.9	K174 K175 V176 F182	K174-N178 WeakPolarHBondContact O-CB 3.33Å; K174-N178 PolarHBondContact O-N 3.42Å; K175-N178 PolarHBondContact O-N 3.44Å; V176-N178 VanDerWaalsContact C-N 3.3Å; V176-N178 PolarHBondContact O-N 2.82Å; N178-F182 VanDerWaalsContact O-CB 3.27Å; N178-F182 WeakPolarHBondContact O-CB 3.39Å; N178-F182 PolarHBondContact O-N 3.03Å
179	R	78.5	Confident	80.4	Confident	143 Å²	143	116.1 Å²	116.1	54%	0.54	55%	0.547	S	S	.	.	H	α-helix	trans	-64.5	-43.1	174.8	-167	-159.6	72.6	141	6.7	110.8	K175 V176 F182 Q183	K175-R179 PolarHBondContact O-N 3.48Å; V176-R179 WeakPolarHBondContact O-CA 3.16Å; V176-R179 WeakPolarHBondContact O-CB 3.27Å; V176-R179 PolarHBondContact O-N 2.84Å; R179-F182 WeakPolarHBondContact O-CB 3.43Å; R179-F182 PolarHBondContact O-N 2.91Å; R179-Q183 WeakPolarHBondContact O-CG 3.32Å; R179-Q183 PolarHBondContact O-N 3.34Å
180	D	81.1	Confident	80.8	Confident	62 Å²	62	119.2 Å²	119.2	33%	0.332	56%	0.557	S	S	.	*	H	α-helix	trans	-73.9	-40.6	-176.3	-57.1	-20.9	0	0	0	110.5	V176 F182 Q183 E184	V176-D180 VanDerWaalsContact CG1-OD2 3.28Å; V176-D180 WeakPolarHBondContact CG1-OD2 3.47Å; V176-D180 VanDerWaalsContact O-CG 3.24Å; V176-D180 PolarHBondContact O-N 3.34Å; D180-F182 VanDerWaalsContact C-N 3.27Å; D180-F182 PolarHBondContact O-N 3.08Å; D180-Q183 PolarHBondContact O-N 3.13Å; D180-E184 WeakPolarHBondContact O-CB 3.37Å; D180-E184 PolarHBondContact O-N 2.97Å
181	K	81.6	Confident	81	Confident	141 Å²	141	122 Å²	122	61%	0.613	56%	0.561	S	S	*	*	H	α-helix	trans	-57.6	-37.1	167.3	-77.7	-177.1	177	-170.2	0	113.1	A177 L185	A177-K181 WeakPolarHBondContact O-CB 3.45Å; A177-K181 VanDerWaalsContact O-CG 3.32Å; A177-K181 WeakPolarHBondContact O-CG 3.48Å; A177-K181 PolarHBondContact O-N 3.37Å; K181-L185 WeakPolarHBondContact O-CB 3.24Å; K181-L185 PolarHBondContact O-N 2.75Å
182	F	79.7	Confident	81.3	Confident	133 Å²	133	122.3 Å²	122.3	58%	0.583	56%	0.56	S	S	*	*	H	α-helix	trans	-70.7	-37.8	176.7	-178	-106.6	0	0	0	112.2	N178 R179 D180 L185 I186	N178-F182 VanDerWaalsContact O-CB 3.27Å; N178-F182 WeakPolarHBondContact O-CB 3.39Å; N178-F182 PolarHBondContact O-N 3.03Å; R179-F182 WeakPolarHBondContact O-CB 3.43Å; R179-F182 PolarHBondContact O-N 2.91Å; D180-F182 VanDerWaalsContact C-N 3.27Å; D180-F182 PolarHBondContact O-N 3.08Å; F182-L185 PolarHBondContact O-N 3.38Å; F182-I186 HydrophobicContact CD1-CD1 3.88Å; F182-I186 HydrophobicContact CE1-CD1 3.49Å; F182-I186 VanDerWaalsContact CE1-CD1 3.49Å; F182-I186 HydrophobicContact CZ-CD1 3.88Å; F182-I186 WeakPolarHBondContact O-CG1 3.36Å; F182-I186 PolarHBondContact O-N 2.94Å; F182-I186 VanDerWaalsContact O-N 3.08Å
183	Q	83.5	Confident	81.4	Confident	97 Å²	97	119.3 Å²	119.3	45%	0.453	56%	0.555	S	S	.	*	H	α-helix	trans	-65.2	-46.2	172.4	-73	-179.5	-2.2	0	0	111.4	R179 D180 L185 I186 E187	R179-Q183 WeakPolarHBondContact O-CG 3.32Å; R179-Q183 PolarHBondContact O-N 3.34Å; D180-Q183 PolarHBondContact O-N 3.13Å; Q183-L185 VanDerWaalsContact C-N 3.29Å; Q183-L185 PolarHBondContact O-N 2.72Å; Q183-I186 WeakPolarHBondContact O-CB 3.37Å; Q183-I186 PolarHBondContact O-N 2.81Å; Q183-I186 VanDerWaalsContact O-N 3.14Å; Q183-E187 WeakPolarHBondContact O-CB 3.43Å; Q183-E187 PolarHBondContact O-N 2.82Å
184	E	84.4	Confident	81.4	Confident	133 Å²	133	114.6 Å²	114.6	62%	0.621	54%	0.544	S	S	*	.	H	α-helix	trans	-57.9	-40.5	175	-170.6	-175.2	179	0	0	111.7	D180 E187 R188	D180-E184 WeakPolarHBondContact O-CB 3.37Å; D180-E184 PolarHBondContact O-N 2.97Å; E184-E187 PolarHBondContact O-N 3.39Å; E184-R188 VanDerWaalsContact O-CB 3.29Å; E184-R188 WeakPolarHBondContact O-CB 3.33Å; E184-R188 PolarHBondContact O-N 3.01Å
185	L	82.4	Confident	81.5	Confident	110 Å²	110	114.2 Å²	114.2	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-65.4	-40.8	175.9	-164	75.2	0	0	0	112.5	K181 F182 Q183 E187 R189	K181-L185 WeakPolarHBondContact O-CB 3.24Å; K181-L185 PolarHBondContact O-N 2.75Å; F182-L185 PolarHBondContact O-N 3.38Å; Q183-L185 VanDerWaalsContact C-N 3.29Å; Q183-L185 PolarHBondContact O-N 2.72Å; L185-E187 VanDerWaalsContact C-N 3.33Å; L185-R189 WeakPolarHBondContact O-CB 3.43Å; L185-R189 PolarHBondContact O-N 3Å
186	I	82.8	Confident	81.3	Confident	77 Å²	77	114 Å²	114	40%	0.395	54%	0.542	S	S	.	.	H	α-helix	trans	-62.7	-42.9	173.9	-72.3	167.9	0	0	0	110.4	F182 Q183 R189 K190	F182-I186 HydrophobicContact CD1-CD1 3.88Å; F182-I186 HydrophobicContact CE1-CD1 3.49Å; F182-I186 VanDerWaalsContact CE1-CD1 3.49Å; F182-I186 HydrophobicContact CZ-CD1 3.88Å; F182-I186 WeakPolarHBondContact O-CG1 3.36Å; F182-I186 PolarHBondContact O-N 2.94Å; F182-I186 VanDerWaalsContact O-N 3.08Å; Q183-I186 WeakPolarHBondContact O-CB 3.37Å; Q183-I186 PolarHBondContact O-N 2.81Å; Q183-I186 VanDerWaalsContact O-N 3.14Å; I186-R189 PolarHBondContact O-N 3.09Å; I186-K190 PolarHBondContact O-N 2.88Å
187	E	85.7	Confident	80.9	Confident	124 Å²	124	120 Å²	120	58%	0.579	56%	0.556	S	S	*	*	H	α-helix	trans	-70.9	-41.9	-177.3	-151.4	157.6	-121.6	0	0	111.6	Q183 E184 L185 R189 K190 Q191	Q183-E187 WeakPolarHBondContact O-CB 3.43Å; Q183-E187 PolarHBondContact O-N 2.82Å; E184-E187 PolarHBondContact O-N 3.39Å; L185-E187 VanDerWaalsContact C-N 3.33Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.34Å; E187-K190 WeakPolarHBondContact O-CB 3.34Å; E187-K190 PolarHBondContact O-N 2.94Å; E187-Q191 WeakPolarHBondContact O-CG 3.43Å; E187-Q191 PolarHBondContact O-N 3.05Å
188	R	87.7	Confident	80.2	Confident	162 Å²	162	126.9 Å²	126.9	61%	0.611	57%	0.572	S	S	*	*	H	α-helix	trans	-58.8	-39.7	170.1	-169.3	174.6	-176.4	-174.9	0.2	111.7	E184 Q191 Q192	E184-R188 VanDerWaalsContact O-CB 3.29Å; E184-R188 WeakPolarHBondContact O-CB 3.33Å; E184-R188 PolarHBondContact O-N 3.01Å; R188-Q191 PolarHBondContact O-N 3.21Å; R188-Q192 WeakPolarHBondContact O-CG 3.29Å; R188-Q192 PolarHBondContact O-N 3.03Å
189	R	84.7	Confident	79.5	Confident	196 Å²	196	125.8 Å²	125.8	74%	0.74	57%	0.57	S	S	*	*	H	α-helix	trans	-69.1	-38.4	176	-160.3	171.5	-172.8	138.8	-0.2	112.1	L185 I186 E187 A193	L185-R189 WeakPolarHBondContact O-CB 3.43Å; L185-R189 PolarHBondContact O-N 3Å; I186-R189 PolarHBondContact O-N 3.09Å; E187-R189 VanDerWaalsContact C-N 3.3Å; E187-R189 PolarHBondContact O-N 3.34Å; R189-A193 WeakPolarHBondContact O-CB 3.28Å; R189-A193 PolarHBondContact O-N 2.9Å
190	K	84.4	Confident	78.3	Confident	147 Å²	147	126.6 Å²	126.6	64%	0.639	58%	0.579	S	S	*	*	H	α-helix	trans	-61.4	-45.8	169.7	-80.3	-177.7	176.7	177.7	0	111.8	I186 E187 A193 A194	I186-K190 PolarHBondContact O-N 2.88Å; E187-K190 WeakPolarHBondContact O-CB 3.34Å; E187-K190 PolarHBondContact O-N 2.94Å; K190-A193 PolarHBondContact O-N 3.33Å; K190-A194 WeakPolarHBondContact O-CB 3.48Å; K190-A194 PolarHBondContact O-N 3.47Å
191	Q	84.1	Confident	76.9	Confident	114 Å²	114	128.4 Å²	128.4	53%	0.533	59%	0.593	S	S	.	*	H	α-helix	trans	-64.3	-40.8	178.1	-71.1	-177	17.3	0	0	112.2	E187 R188 A194 K195	E187-Q191 WeakPolarHBondContact O-CG 3.43Å; E187-Q191 PolarHBondContact O-N 3.05Å; R188-Q191 PolarHBondContact O-N 3.21Å; Q191-A194 PolarHBondContact O-N 3.09Å; Q191-K195 WeakPolarHBondContact O-CG 3.43Å; Q191-K195 PolarHBondContact O-N 2.85Å
192	Q	81.3	Confident	75.5	Confident	107 Å²	107	125.9 Å²	125.9	50%	0.5	59%	0.593	S	S	.	*	H	α-helix	trans	-63.6	-42	173.6	-76.4	-178.4	-6.6	0	0	112.1	R188 K195 K196	R188-Q192 WeakPolarHBondContact O-CG 3.29Å; R188-Q192 PolarHBondContact O-N 3.03Å; Q192-K195 PolarHBondContact O-N 2.92Å; Q192-K196 WeakPolarHBondContact O-CG 3.3Å; Q192-K196 PolarHBondContact O-N 3.17Å
193	A	79.3	Confident	73.9	Confident	53 Å²	53	126.4 Å²	126.4	44%	0.438	60%	0.601	S	S	.	*	H	α-helix	trans	-62.8	-40.8	174.1	0	0	0	0	0	112	R189 K190 K196 R197	R189-A193 WeakPolarHBondContact O-CB 3.28Å; R189-A193 PolarHBondContact O-N 2.9Å; K190-A193 PolarHBondContact O-N 3.33Å; A193-K196 PolarHBondContact O-N 3.33Å; A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 3.01Å
194	A	80.1	Confident	72	Confident	52 Å²	52	130.3 Å²	130.3	43%	0.43	62%	0.62	S	S	.	*	H	α-helix	trans	-64.6	-41.8	174.9	0	0	0	0	0	112.3	K190 Q191 R197 R198	K190-A194 WeakPolarHBondContact O-CB 3.48Å; K190-A194 PolarHBondContact O-N 3.47Å; Q191-A194 PolarHBondContact O-N 3.09Å; A194-R197 PolarHBondContact O-N 3Å; A194-R198 WeakPolarHBondContact O-CG 3.46Å; A194-R198 PolarHBondContact O-N 2.97Å
195	K	78.7	Confident	70.1	Confident	148 Å²	148	131.1 Å²	131.1	64%	0.643	63%	0.627	S	S	*	*	H	α-helix	trans	-62.2	-47.5	174.5	-75.6	-177.9	177.8	-175.8	0	111.8	Q191 Q192 R197 R198 T199	Q191-K195 WeakPolarHBondContact O-CG 3.43Å; Q191-K195 PolarHBondContact O-N 2.85Å; Q192-K195 PolarHBondContact O-N 2.92Å; K195-R197 VanDerWaalsContact C-N 3.28Å; K195-R197 PolarHBondContact O-N 2.89Å; K195-R198 PolarHBondContact O-N 2.96Å; K195-R198 VanDerWaalsContact O-N 3.09Å; K195-T199 PolarHBondContact O-N 2.92Å; K195-T199 PolarHBondContact O-OG1 3Å
196	K	75.3	Confident	68	Low	158 Å²	158	132 Å²	132	69%	0.687	63%	0.632	S	S	*	*	H	α-helix	trans	-60.3	-35.4	175.4	-73.2	-171.8	176.7	-168.4	0	112.9	Q192 A193 T199 H200	Q192-K196 WeakPolarHBondContact O-CG 3.3Å; Q192-K196 PolarHBondContact O-N 3.17Å; A193-K196 PolarHBondContact O-N 3.33Å; K196-T199 PolarHBondContact O-OG1 3.26Å; K196-T199 VanDerWaalsContact O-OG1 3.14Å; K196-H200 PolarHBondContact O-N 2.96Å
197	R	70.6	Confident	66.2	Low	199 Å²	199	135.4 Å²	135.4	75%	0.751	66%	0.656	S	S	*	*	H	α-helix	trans	-69.3	-36.7	173.5	-73.7	-176.9	72.2	-173.1	2.2	112.6	A193 A194 K195 T201	A193-R197 WeakPolarHBondContact O-CG 3.49Å; A193-R197 PolarHBondContact O-N 3.01Å; A194-R197 PolarHBondContact O-N 3Å; K195-R197 VanDerWaalsContact C-N 3.28Å; K195-R197 PolarHBondContact O-N 2.89Å; R197-T201 WeakPolarHBondContact O-CG2 3.45Å; R197-T201 PolarHBondContact O-N 3.37Å; R197-T201 PolarHBondContact O-OG1 3.45Å; R197-T201 VanDerWaalsContact O-OG1 3.11Å
198	R	63.5	Low	63.9	Low	192 Å²	192	134 Å²	134	73%	0.725	66%	0.66	S	S	*	*	H	α-helix	trans	-70.6	-39.1	178	-72.7	-178.2	73.1	171.4	2.9	112.8	A194 K195 T201 S202	A194-R198 WeakPolarHBondContact O-CG 3.46Å; A194-R198 PolarHBondContact O-N 2.97Å; K195-R198 PolarHBondContact O-N 2.96Å; K195-R198 VanDerWaalsContact O-N 3.09Å; R198-T201 PolarHBondContact O-N 2.86Å; R198-T201 PolarHBondContact O-OG1 2.88Å; R198-T201 VanDerWaalsContact O-OG1 3.06Å; R198-S202 PolarHBondContact O-OG 3.34Å
199	T	60.3	Low	61.5	Low	93 Å²	93	131 Å²	131	57%	0.571	67%	0.67	S	S	*	*	H	α-helix	trans	-66.5	-42.2	176.3	53.9	0	0	0	0	111.7	K195 K196 T201 S202	K195-T199 PolarHBondContact O-N 2.92Å; K195-T199 PolarHBondContact O-OG1 3Å; K196-T199 PolarHBondContact O-OG1 3.26Å; K196-T199 VanDerWaalsContact O-OG1 3.14Å; T199-T201 PolarHBondContact O-N 3.01Å; T199-S202 PolarHBondContact O-N 3.4Å
200	H	53.8	Low	59.7	Low	161 Å²	161	130.9 Å²	130.9	75%	0.745	68%	0.678	S	S	*	*	H	α-helix	trans	-69.8	-14.7	179.4	-158.1	-45.1	0	0	0	113.8	K196	K196-H200 PolarHBondContact O-N 2.96Å
201	T	50.8	Low	57.5	Low	100 Å²	100	132 Å²	132	61%	0.613	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	2.9	177.2	54.9	0	0	0	0	114.1	R197 R198 T199	R197-T201 WeakPolarHBondContact O-CG2 3.45Å; R197-T201 PolarHBondContact O-N 3.37Å; R197-T201 PolarHBondContact O-OG1 3.45Å; R197-T201 VanDerWaalsContact O-OG1 3.11Å; R198-T201 PolarHBondContact O-N 2.86Å; R198-T201 PolarHBondContact O-OG1 2.88Å; R198-T201 VanDerWaalsContact O-OG1 3.06Å; T199-T201 PolarHBondContact O-N 3.01Å
202	S	51.9	Low	55.6	Low	87 Å²	87	132.4 Å²	132.4	61%	0.608	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	-14.7	-177.9	-68.9	0	0	0	0	114.1	R198 T199	R198-S202 PolarHBondContact O-OG 3.34Å; T199-S202 PolarHBondContact O-N 3.4Å
203	D	47.9	Very low	53.8	Low	144 Å²	144	132 Å²	132	77%	0.77	72%	0.715	S	S	*	*	S	Bend	trans	-101.5	2.8	-174.4	-61.8	-34	0	0	0	114.2
204	E	42.1	Very low	52	Low	180 Å²	180	138 Å²	138	84%	0.841	73%	0.734	S	S	*	*			trans	-127.3	73.2	171.8	-71.1	-163.1	163.6	0	0	111.7
205	I	44.3	Very low	50	Low	150 Å²	150	140.9 Å²	140.9	77%	0.769	75%	0.751	S	S	*	*			trans	-120.7	81.3	153.9	-60.4	-176.9	0	0	0	108
206	D	39.9	Very low	48.4	Very low	128 Å²	128	138.6 Å²	138.6	68%	0.684	75%	0.754	S	S	*	*			trans	19.5	102.9	143.5	-156.8	-15.2	0	0	0	118	S208	D206-S208 VanDerWaalsContact CG-OG 3.27Å; D206-S208 WeakPolarHBondContact OD1-CB 3.35Å; D206-S208 PolarHBondContact OD1-N 3.01Å; D206-S208 PolarHBondContact OD1-OG 3.05Å; D206-S208 PolarHBondContact OD2-OG 2.88Å
207	V	43.6	Very low	46.8	Very low	149 Å²	149	135.8 Å²	135.8	90%	0.903	75%	0.754	S	S	*	*			trans	-99.2	89.3	159.6	-84	0	0	0	0	109.6
208	S	37.5	Very low	45.5	Very low	95 Å²	95	132.9 Å²	132.9	66%	0.664	75%	0.753	S	S	*	*			trans	-119.2	83.2	177	42.9	0	0	0	0	112.5	D206	D206-S208 VanDerWaalsContact CG-OG 3.27Å; D206-S208 WeakPolarHBondContact OD1-CB 3.35Å; D206-S208 PolarHBondContact OD1-N 3.01Å; D206-S208 PolarHBondContact OD1-OG 3.05Å; D206-S208 PolarHBondContact OD2-OG 2.88Å
209	A	37.5	Very low	44.8	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	75%	0.752	S	S	*	*			trans	-153.3	59.3	170.6	0	0	0	0	0	112.7
210	Q	45.9	Very low	44.3	Very low	194 Å²	194	131.4 Å²	131.4	91%	0.907	76%	0.764	S	S	*	*			trans	-135.7	127	162.8	-74.3	-160.3	-25.5	0	0	112.4
211	N	39.8	Very low	43.8	Very low	169 Å²	169	129.7 Å²	129.7	90%	0.904	76%	0.76	S	S	*	*			trans	-69.1	135.7	167.6	-66.4	-29.8	0	0	0	110.4
212	S	43	Very low	43.5	Very low	124 Å²	124	131.9 Å²	131.9	87%	0.867	77%	0.768	S	S	*	*			trans	-161.1	137.4	132.1	50.6	0	0	0	0	110.2
213	S	43.5	Very low	43.4	Very low	97 Å²	97	131.7 Å²	131.7	68%	0.678	77%	0.767	S	S	*	*			trans	-103.4	169.5	-174.1	48.8	0	0	0	0	111.7
214	E	41.2	Very low	43	Very low	179 Å²	179	130.5 Å²	130.5	84%	0.836	77%	0.767	S	S	*	*			trans	75.8	108.2	162.8	-46.7	-171.9	137.3	0	0	114.6
215	S	40.1	Very low	43.2	Very low	113 Å²	113	131.3 Å²	131.3	79%	0.79	77%	0.768	S	S	*	*				110.2	137.2	90.7	-177.1	0	0	0	0	109
216	S	44.8	Very low	43	Very low	100 Å²	100	129.7 Å²	129.7	70%	0.699	77%	0.767	S	S	*	*			cis	-171.3	156.5	-3.6	49.1	0	0	0	0	109.1
217	S	41.9	Very low	43	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	78%	0.777	S	S	*	*			trans	65.8	141	153.2	179.1	0	0	0	0	117.5
218	D	42.3	Very low	43	Very low	138 Å²	138	132 Å²	132	74%	0.738	76%	0.76	S	S	*	*			cis	-159.8	163.8	-11.8	-108	-48.6	0	0	0	109.6
219	S	48.3	Very low	43.2	Very low	98 Å²	98	137 Å²	137	69%	0.685	77%	0.77	S	S	*	*			trans	60.9	138.8	157.5	-74.7	0	0	0	0	120.7
220	D	49.4	Very low	43.5	Very low	155 Å²	155	137.2 Å²	137.2	83%	0.829	76%	0.757	S	S	*	*			cis	-143.3	153.2	-1.8	-89.5	-31.6	0	0	0	113.4
221	D	43.8	Very low	43.3	Very low	125 Å²	125	136.6 Å²	136.6	67%	0.668	75%	0.754	S	S	*	*			trans	-59.6	132.8	178.2	175.4	47.3	0	0	0	115.8
222	N	45.4	Very low	43.6	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	75%	0.754	S	S	*	*				-172	117.2	113.4	-107.5	-88.1	0	0	0	113.9
223	S	48.6	Very low	43.4	Very low	84 Å²	84	141.3 Å²	141.3	59%	0.587	75%	0.753	S	S	*	*			trans	-150.1	152.3	163.1	79.3	0	0	0	0	108.8
224	P	41	Very low	43.3	Very low	118 Å²	118	145.8 Å²	145.8	77%	0.766	76%	0.763	S	S	*	*				-154.2	125.5	85	35.4	-14.5	0	0	0	117.1
225	K	44.5	Very low	43.3	Very low	197 Å²	197	146.6 Å²	146.6	86%	0.857	77%	0.767	S	S	*	*				49.9	157.6	119.8	-73.6	-174.7	179	175.7	0	123.2
226	P	40.2	Very low	43.4	Very low	117 Å²	117	146.8 Å²	146.8	76%	0.76	77%	0.768	S	S	*	*			trans	-122.5	163.9	-146.9	42.5	-30.4	0	0	0	116.9
227	R	41.3	Very low	43.1	Very low	233 Å²	233	151.1 Å²	151.1	88%	0.879	78%	0.78	S	S	*	*			trans	-173.8	162.3	161.6	-109.8	160.9	179.1	156.1	-0.3	107.5
228	V	42.3	Very low	43.2	Very low	93 Å²	93	151.1 Å²	151.1	56%	0.564	78%	0.78	S	S	*	*			cis	-128.3	167.2	-4.9	-169.7	0	0	0	0	109.1	I230	V228-I230 HydrophobicContact CG1-CG1 4.44Å
229	K	42	Very low	43.4	Very low	198 Å²	198	153.1 Å²	153.1	86%	0.861	79%	0.785	S	S	*	*			trans	-109.8	127.6	158.2	-71.8	177.7	178.7	175.6	0	109.2
230	I	43.5	Very low	43.1	Very low	104 Å²	104	160.2 Å²	160.2	53%	0.533	80%	0.797	S	S	.	*			trans	-108.6	118.4	168.6	-65.8	-179.7	0	0	0	109.6	V228 L716	V228-I230 HydrophobicContact CG1-CG1 4.44Å; I230-L716 HydrophobicContact CB-CD2 4.16Å; I230-L716 HydrophobicContact CD1-CB 3.97Å; I230-L716 HydrophobicContact CD1-CD2 3.92Å; I230-L716 HydrophobicContact CD1-CG 3.77Å; I230-L716 HydrophobicContact CG2-CD2 3.93Å
231	Q	43.3	Very low	42.9	Very low	180 Å²	180	158.4 Å²	158.4	84%	0.841	79%	0.791	S	S	*	*			trans	-86.8	162.9	175.2	-74.7	178.7	-33.7	0	0	111.7
232	E	45.5	Very low	42.8	Very low	197 Å²	197	161.7 Å²	161.7	92%	0.921	80%	0.8	S	S	*	*			trans	-68.4	147.7	-170.8	-60.7	164.6	143.8	0	0	113.4
233	K	39	Very low	42.4	Very low	195 Å²	195	159.3 Å²	159.3	85%	0.848	80%	0.795	S	S	*	*			trans	-109	64.8	-168.4	-165.7	-172.8	-177.7	179.3	0	112.6
234	H	40.2	Very low	42.1	Very low	191 Å²	191	160.2 Å²	160.2	88%	0.884	80%	0.801	S	S	*	*			trans	-141.6	85.7	167.4	-73.8	-75.8	0	0	0	111.7
235	Q	42.4	Very low	42.1	Very low	196 Å²	196	163.6 Å²	163.6	92%	0.916	81%	0.806	S	S	*	*			trans	-117.8	123.4	157.6	-79.2	-170.2	-1.9	0	0	110.2	M237	Q235-M237 PolarHBondContact O-N 2.89Å
236	S	40.9	Very low	42	Very low	117 Å²	117	159.2 Å²	159.2	82%	0.818	81%	0.807	S	S	*	*			trans	-64.2	121.7	172.9	49.5	0	0	0	0	111.3	S238	S236-S238 PolarHBondContact O-N 3.41Å
237	M	39.3	Very low	42	Very low	191 Å²	191	159.1 Å²	159.1	94%	0.941	81%	0.809	S	S	*	*			trans	-82.9	105.3	162.6	-83.4	-77.7	-70.7	0	0	109.3	Q235	Q235-M237 PolarHBondContact O-N 2.89Å
238	S	43.2	Very low	42	Very low	101 Å²	101	154.9 Å²	154.9	71%	0.706	80%	0.804	S	S	*	*			trans	-138.6	154.7	163.5	-176.4	0	0	0	0	107.9	S236	S236-S238 PolarHBondContact O-N 3.41Å
239	Q	47.4	Very low	42.1	Very low	179 Å²	179	155.1 Å²	155.1	84%	0.836	81%	0.81	S	S	*	*			trans	67.3	83.3	-173	-53	-179	-76.9	0	0	116.4
240	R	41.1	Very low	42.3	Very low	248 Å²	248	150.8 Å²	150.8	94%	0.936	80%	0.804	S	S	*	*				-137	116.5	126.9	-72.7	-161.5	174.5	-177.3	-2.8	109.2
241	V	47	Very low	42.1	Very low	117 Å²	117	151.8 Å²	151.8	71%	0.709	81%	0.811	S	S	*	*			trans	-131.4	155.8	172.4	-178.3	0	0	0	0	105.7
242	F	40.4	Very low	42.1	Very low	193 Å²	193	149.3 Å²	149.3	85%	0.846	81%	0.813	S	S	*	*			trans	71.5	141.8	-172.2	-52.3	-82	0	0	0	114.2
243	S	38.3	Very low	42.1	Very low	97 Å²	97	144.7 Å²	144.7	68%	0.678	80%	0.802	S	S	*	*			cis	-168.7	179	-16	-107.7	0	0	0	0	109.1
244	S	42.1	Very low	42.5	Very low	102 Å²	102	147.1 Å²	147.1	71%	0.713	81%	0.806	S	S	*	*			trans	70.3	123.2	178.6	62.4	0	0	0	0	114.6
245	E	40.2	Very low	42.7	Very low	190 Å²	190	144 Å²	144	89%	0.888	80%	0.803	S	S	*	*			cis	70.2	83.2	48.1	-58	178.7	138.2	0	0	113.1
246	A	42.5	Very low	42.6	Very low	104 Å²	104	140.8 Å²	140.8	86%	0.86	79%	0.792	S	S	*	*			trans	-158.1	131.8	150.5	0	0	0	0	0	110.1
247	S	40.5	Very low	43	Very low	116 Å²	116	141 Å²	141	81%	0.811	79%	0.793	S	S	*	*			trans	-82.6	169.1	179.4	-46.9	0	0	0	0	112.7
248	D	41.2	Very low	43.4	Very low	144 Å²	144	142.2 Å²	142.2	77%	0.77	79%	0.788	S	S	*	*			trans	86	134.8	140.9	-159.8	26.3	0	0	0	120.4
249	S	43.7	Very low	43.6	Very low	98 Å²	98	143.7 Å²	143.7	69%	0.685	80%	0.795	S	S	*	*			trans	60.7	154	160	77.4	0	0	0	0	118.6
250	S	46.6	Very low	43.5	Very low	106 Å²	106	140.8 Å²	140.8	74%	0.741	79%	0.789	S	S	*	*			cis	-170.6	156.5	-30	50.5	0	0	0	0	107.1
251	D	38.9	Very low	43.7	Very low	126 Å²	126	134 Å²	134	67%	0.674	79%	0.786	S	S	*	*			trans	50.8	115.1	156.5	-169.6	25.6	0	0	0	120	S253	D251-S253 PolarHBondContact OD1-N 3.17Å
252	S	44.1	Very low	43.6	Very low	127 Å²	127	139 Å²	139	89%	0.888	79%	0.792	S	S	*	*			trans	-157.1	84.7	139.6	-85.4	0	0	0	0	109.8
253	S	44.8	Very low	43.9	Very low	100 Å²	100	141.7 Å²	141.7	70%	0.699	80%	0.797	S	S	*	*			trans	-66	136.8	176.5	46.2	0	0	0	0	114	D251	D251-S253 PolarHBondContact OD1-N 3.17Å
254	R	47.9	Very low	44	Very low	247 Å²	247	141.7 Å²	141.7	93%	0.932	80%	0.797	S	S	*	*			trans	-146.1	150.1	158.2	-79.1	-155.1	172	-164.8	-3.2	111.5
255	P	44.6	Very low	44	Very low	125 Å²	125	142.9 Å²	142.9	81%	0.812	81%	0.805	S	S	*	*			trans	-122	179.3	-132.3	40.2	-28.4	0	0	0	117.2
256	D	40.5	Very low	44.3	Very low	129 Å²	129	143 Å²	143	69%	0.69	80%	0.803	S	S	*	*			trans	-41.6	152.8	-179.8	-168.9	18.1	0	0	0	117.8	R258	D256-R258 PolarHBondContact OD1-N 3.48Å
257	S	48.3	Very low	44.2	Very low	121 Å²	121	143.2 Å²	143.2	85%	0.846	80%	0.798	S	S	*	*			trans	-161	83.4	162.2	-77.5	0	0	0	0	110.6
258	R	47.3	Very low	44.2	Very low	217 Å²	217	142.6 Å²	142.6	82%	0.819	79%	0.793	S	S	*	*			trans	-91.8	157.4	156.4	-68.2	-175.6	171.8	-160.2	-1.3	109.9	D256	D256-R258 PolarHBondContact OD1-N 3.48Å
259	P	47.2	Very low	44.3	Very low	132 Å²	132	143.3 Å²	143.3	86%	0.857	80%	0.796	S	S	*	*				-142.5	164.7	102.9	36.3	-21.6	0	0	0	116.7
260	V	46.8	Very low	44.3	Very low	117 Å²	117	144.4 Å²	144.4	71%	0.709	80%	0.804	S	S	*	*			trans	-61.5	145.6	-178.6	-178	0	0	0	0	114.5	R262	V260-R262 HydrophobicContact CG1-CG 3.78Å
261	A	45.6	Very low	44.1	Very low	106 Å²	106	143.1 Å²	143.1	88%	0.876	81%	0.807	S	S	*	*			trans	-135.2	125.8	147.6	0	0	0	0	0	110.5
262	R	43.6	Very low	44.3	Very low	221 Å²	221	142.2 Å²	142.2	83%	0.834	81%	0.811	S	S	*	*			trans	-116.8	141.3	177.4	-66.1	166.9	73.1	174.4	3.9	109.2	V260	V260-R262 HydrophobicContact CG1-CG 3.78Å
263	R	46.2	Very low	44.4	Very low	251 Å²	251	142.7 Å²	142.7	95%	0.947	80%	0.799	S	S	*	*			trans	169.1	148.5	149.6	-98.7	160.7	153.5	-143.1	-10.6	109.3
264	S	42.3	Very low	44.5	Very low	97 Å²	97	148.5 Å²	148.5	68%	0.678	81%	0.806	S	S	*	*			cis	-152.7	127.9	-1.2	47.4	0	0	0	0	110.9
265	S	41.9	Very low	44.5	Very low	126 Å²	126	142.3 Å²	142.3	88%	0.881	80%	0.801	S	S	*	*			trans	-89.8	140.2	151.8	44.5	0	0	0	0	108.6
266	F	45.4	Very low	44.4	Very low	193 Å²	193	140 Å²	140	85%	0.846	80%	0.799	S	S	*	*			trans	-123.6	135.4	173.5	57.1	-91.4	0	0	0	109.7
267	S	40.6	Very low	44.5	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	81%	0.806	S	S	*	*			trans	-147.4	158.5	171.3	58.5	0	0	0	0	109.1
268	S	41.1	Very low	44.4	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	80%	0.802	S	S	*	*			trans	85	126.1	162.5	84.3	0	0	0	0	119.3
269	L	43.7	Very low	44.4	Very low	159 Å²	159	133.6 Å²	133.6	83%	0.832	80%	0.798	S	S	*	*			trans	82.8	98.7	140	-62.2	158.3	0	0	0	121.6
270	S	42.8	Very low	44.4	Very low	122 Å²	122	134.9 Å²	134.9	85%	0.853	79%	0.793	S	S	*	*				163.8	127.4	121.5	-71.1	0	0	0	0	107.6
271	G	42.4	Very low	44.6	Very low	78 Å²	78	136 Å²	136	80%	0.804	79%	0.794	S	S	*	*				80.1	130.1	73.8	0	0	0	0	0	110.1
272	S	42.4	Very low	44.8	Very low	108 Å²	108	138.3 Å²	138.3	76%	0.755	79%	0.792	S	S	*	*			cis	-168.9	157.1	1	-160.1	0	0	0	0	110
273	Q	46.9	Very low	45.3	Very low	137 Å²	137	132.3 Å²	132.3	64%	0.64	79%	0.79	S	S	*	*			trans	71.8	122.4	155.5	-50.6	-140.3	-12.4	0	0	122.7
274	R	47.7	Very low	45.6	Very low	221 Å²	221	132.9 Å²	132.9	83%	0.834	79%	0.792	S	S	*	*			trans	65.5	145.8	131.4	-62.6	170.7	173.7	-173.2	-9	118
275	S	46.3	Very low	46.1	Very low	118 Å²	118	131.1 Å²	131.1	83%	0.825	79%	0.79	S	S	*	*			cis	-159.7	150.2	1.2	33.6	0	0	0	0	105.7
276	G	43.8	Very low	46.9	Very low	76 Å²	76	136.5 Å²	136.5	78%	0.784	79%	0.791	S	S	*	*			cis	110	94.9	43.3	0	0	0	0	0	109.6
277	S	42	Very low	47.6	Very low	117 Å²	117	132.8 Å²	132.8	82%	0.818	79%	0.788	S	S	*	*			trans	171.7	112.3	164.1	-172.6	0	0	0	0	106.6
278	S	46.8	Very low	48.7	Very low	110 Å²	110	139.2 Å²	139.2	77%	0.769	80%	0.796	S	S	*	*				96.5	142.7	53.9	-167.8	0	0	0	0	111.8
279	S	46.2	Very low	49.7	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	80%	0.796	S	S	*	*			trans	73.7	136.3	-171.8	-172.2	0	0	0	0	115.7
280	E	47.8	Very low	50.9	Low	159 Å²	159	137.4 Å²	137.4	74%	0.743	79%	0.794	S	S	*	*			cis	175.7	146.9	-37.8	-105.4	172.4	156.9	0	0	105.6
281	D	51.2	Low	52.1	Low	139 Å²	139	140.6 Å²	140.6	74%	0.743	80%	0.795	S	S	*	*			trans	64	135.2	158	-58	-31.6	0	0	0	125.1
282	D	50.3	Low	53.7	Low	156 Å²	156	143.4 Å²	143.4	83%	0.834	79%	0.787	S	S	*	*			trans	52	97.4	148.8	-73.4	-39.3	0	0	0	122.1
283	A	53.5	Low	55.6	Low	95 Å²	95	144 Å²	144	79%	0.785	78%	0.778	S	S	*	*				-162.5	126.5	117.1	0	0	0	0	0	112.8	G285	A283-G285 PolarHBondContact O-N 2.96Å
284	R	52.7	Low	57.6	Low	262 Å²	262	141 Å²	141	99%	0.989	77%	0.766	S	S	*	*			trans	-74	67.4	163.7	-70.4	177.5	175.3	166.9	-0.9	110.5	R286	R284-R286 PolarHBondContact O-N 3.34Å; R284-R286 VanDerWaalsContact O-N 3.15Å
285	G	53.3	Low	59.5	Low	61 Å²	61	130.6 Å²	130.6	63%	0.629	73%	0.727	S	S	*	*			trans	-72.9	99.1	-179.1	0	0	0	0	0	112.4	A283 S287	A283-G285 PolarHBondContact O-N 2.96Å; G285-S287 PolarHBondContact O-N 2.67Å
286	R	58.5	Low	61.3	Low	239 Å²	239	129.4 Å²	129.4	90%	0.902	72%	0.719	S	S	*	*			trans	-53.8	107.6	167	-177.2	-177.3	-171.8	178.1	3.2	109	R284 R288	R284-R286 PolarHBondContact O-N 3.34Å; R284-R286 VanDerWaalsContact O-N 3.15Å; R286-R288 PolarHBondContact O-N 3.09Å
287	S	59.2	Low	63.5	Low	114 Å²	114	127.6 Å²	127.6	80%	0.797	69%	0.694	S	S	*	*			trans	-50.4	115.9	-177.4	-42.5	0	0	0	0	110.2	G285 S289	G285-S287 PolarHBondContact O-N 2.67Å; S287-S289 PolarHBondContact O-N 3.17Å; S287-S289 VanDerWaalsContact O-N 3.09Å
288	R	63.6	Low	66	Low	244 Å²	244	122.8 Å²	122.8	92%	0.921	66%	0.66	S	S	*	*			trans	-61.2	115.3	169.5	-80.2	-178.2	171.4	178.2	-3.3	106.9	R286	R286-R288 PolarHBondContact O-N 3.09Å
289	S	63.7	Low	68.2	Low	101 Å²	101	124 Å²	124	71%	0.706	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-55.4	137.6	169.3	48.5	0	0	0	0	108.8	S287 E291	S287-S289 PolarHBondContact O-N 3.17Å; S287-S289 VanDerWaalsContact O-N 3.09Å; S289-E291 PolarHBondContact O-N 3.26Å
290	P	68.8	Low	70.4	Confident	122 Å²	122	120.9 Å²	120.9	79%	0.792	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-50.2	132.4	176.6	-27.9	35.5	0	0	0	111.2	E292	P290-E292 PolarHBondContact O-N 2.92Å
291	E	67.3	Low	72.5	Confident	189 Å²	189	113.3 Å²	113.3	88%	0.883	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.7	178.1	-169.2	166.7	-178.5	0	0	109	S289 E293	S289-E291 PolarHBondContact O-N 3.26Å; E291-E293 PolarHBondContact O-N 3.45Å
292	E	75.9	Confident	74.6	Confident	138 Å²	138	108 Å²	108	65%	0.645	57%	0.566	S	S	*	*			trans	-72.1	102.4	-173	-66	-177.6	167.9	0	0	110.7	P290 L294 T410	P290-E292 PolarHBondContact O-N 2.92Å; E292-L294 PolarHBondContact O-N 3.27Å; E292-T410 HydrophobicContact CB-CG2 4.04Å
293	E	83	Confident	76.6	Confident	121 Å²	121	106.8 Å²	106.8	57%	0.565	55%	0.549	S	S	*	.			trans	-56.5	124.2	175.4	-61.8	180	156.8	0	0	110.7	E291 T410 L411 R415	E291-E293 PolarHBondContact O-N 3.45Å; E293-T410 CarbonylContact O-C 3.59Å; E293-T410 WeakPolarHBondContact O-CA 3.39Å; E293-L411 HydrophobicContact CB-CB 4.27Å; E293-L411 HydrophobicContact CB-CD1 3.7Å; E293-L411 HydrophobicContact CB-CG 4Å; E293-L411 PolarHBondContact O-N 2.82Å; E293-R415 IonicContact OE2-NH2 2.72Å
294	L	87.6	Confident	78.6	Confident	73 Å²	73	102.3 Å²	102.3	38%	0.382	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-96.7	153.2	-179.2	-61.3	-176.5	0	0	0	111.7	E292 S296 P408 T410	E292-L294 PolarHBondContact O-N 3.27Å; L294-S296 PolarHBondContact O-N 2.93Å; L294-P408 HydrophobicContact CB-CG 4.12Å; L294-P408 HydrophobicContact CD1-CG 4.13Å; L294-T410 HydrophobicContact CD2-CG2 4.01Å
295	V	87.2	Confident	80.7	Confident	3 Å²	3	91.1 Å²	91.1	2%	0.018	47%	0.47	C	S	.	.			trans	-61.9	110.1	174.9	170.2	0	0	0	0	111.3	H300 L301 F394 M398 P409 L411 V414	V295-H300 HydrophobicContact CG1-CB 4.26Å; V295-H300 HydrophobicContact CG2-CB 4.25Å; V295-L301 HydrophobicContact CG1-CB 4.27Å; V295-F394 HydrophobicContact CG1-CE2 3.92Å; V295-F394 HydrophobicContact CG1-CZ 4.11Å; V295-M398 WeakPolarHBondContact O-CE 3.24Å; V295-P409 HydrophobicContact CG2-CG 4.12Å; V295-P409 WeakPolarHBondContact CG2-O 3.48Å; V295-P409 PolarHBondContact N-O 3.5Å; V295-L411 HydrophobicContact CB-CD2 4.44Å; V295-L411 HydrophobicContact CG2-CD2 3.74Å; V295-V414 HydrophobicContact CG2-CG2 3.53Å
296	S	84.6	Confident	82.7	Confident	92 Å²	92	88.2 Å²	88.2	64%	0.643	44%	0.44	S	S	*	.			trans	-108.2	-18.9	176.5	57.4	0	0	0	0	114.4	L294 F394	L294-S296 PolarHBondContact O-N 2.93Å; S296-F394 WeakPolarHBondContact O-CE1 3.39Å
297	S	90.6	Very high	84.5	Confident	38 Å²	38	77.6 Å²	77.6	27%	0.266	40%	0.402	S	S	.	.	S	Bend	trans	-119.8	146.1	-175.8	172.7	0	0	0	0	112.8	E299 H300 L301	S297-E299 PolarHBondContact O-N 2.92Å; S297-E299 PolarHBondContact OG-N 3.49Å; S297-H300 PolarHBondContact O-N 3.24Å; S297-L301 PolarHBondContact O-N 3.48Å
298	V	93.6	Very high	86.3	Confident	16 Å²	16	75.7 Å²	75.7	10%	0.097	38%	0.377	C	S	.	.	H	α-helix	trans	-53.9	-37.4	172.6	-172.9	0	0	0	0	111.7	H300 L301 S302 F389 F394	V298-H300 VanDerWaalsContact C-N 3.31Å; V298-H300 PolarHBondContact O-N 2.9Å; V298-L301 PolarHBondContact O-N 3.1Å; V298-S302 WeakPolarHBondContact O-CB 3.48Å; V298-S302 PolarHBondContact O-N 3.39Å; V298-S302 PolarHBondContact O-OG 3.32Å; V298-F389 HydrophobicContact CG1-CB 3.83Å; V298-F394 HydrophobicContact CB-CG 4.49Å; V298-F394 HydrophobicContact CG2-CB 3.67Å; V298-F394 HydrophobicContact CG2-CD1 3.83Å; V298-F394 HydrophobicContact CG2-CD2 4.29Å; V298-F394 HydrophobicContact CG2-CG 3.68Å
299	E	93.3	Very high	87.7	Confident	135 Å²	135	70 Å²	70	63%	0.631	36%	0.359	S	S	*	.	H	α-helix	trans	-62.9	-36.5	-178.4	-64	-172.2	173.9	0	0	112.6	S297 S302	S297-E299 PolarHBondContact O-N 2.92Å; S297-E299 PolarHBondContact OG-N 3.49Å; E299-S302 PolarHBondContact O-N 2.92Å
300	H	92.4	Very high	89.2	Confident	41 Å²	41	68 Å²	68	19%	0.19	34%	0.338	C	S	.	.	H	α-helix	trans	-68.4	-47.3	177.2	-60.3	-39.6	0	0	0	110.6	V295 S297 V298 S302 R303 L411 V414	V295-H300 HydrophobicContact CG1-CB 4.26Å; V295-H300 HydrophobicContact CG2-CB 4.25Å; S297-H300 PolarHBondContact O-N 3.24Å; V298-H300 VanDerWaalsContact C-N 3.31Å; V298-H300 PolarHBondContact O-N 2.9Å; H300-S302 PolarHBondContact O-N 2.93Å; H300-R303 WeakPolarHBondContact O-CB 3.46Å; H300-R303 PolarHBondContact O-N 2.85Å; H300-L411 HydrophobicContact CB-CD2 3.85Å; H300-V414 WeakPolarHBondContact O-CG1 3.45Å
301	L	93	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-32.3	176.9	-161.4	69.6	0	0	0	112.1	V295 S297 V298 R303 I304 R305 F328 C344 F389 F394 W397	V295-L301 HydrophobicContact CG1-CB 4.27Å; S297-L301 PolarHBondContact O-N 3.48Å; V298-L301 PolarHBondContact O-N 3.1Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 3.41Å; L301-I304 HydrophobicContact CD1-CD1 4.5Å; L301-I304 WeakPolarHBondContact O-CG1 3.43Å; L301-I304 PolarHBondContact O-N 2.91Å; L301-R305 PolarHBondContact O-N 3.26Å; L301-F328 HydrophobicContact CD1-CB 4.36Å; L301-F328 HydrophobicContact CD1-CD1 3.87Å; L301-F328 HydrophobicContact CD1-CD2 3.64Å; L301-F328 HydrophobicContact CD1-CE1 4.04Å; L301-F328 HydrophobicContact CD1-CE2 3.82Å; L301-F328 HydrophobicContact CD1-CG 3.66Å; L301-F328 HydrophobicContact CD1-CZ 4.02Å; L301-F328 HydrophobicContact CD2-CD1 4.21Å; L301-F328 HydrophobicContact CD2-CG 4.46Å; L301-F328 HydrophobicContact CG-CB 4.33Å; L301-F328 HydrophobicContact CG-CD1 4.33Å; L301-F328 HydrophobicContact CG-CD2 4.48Å; L301-F328 HydrophobicContact CG-CG 4.11Å; L301-C344 HydrophobicContact CD2-CB 4.34Å; L301-F389 HydrophobicContact CD2-CD2 4.34Å; L301-F389 HydrophobicContact CD2-CE2 4.16Å; L301-F389 HydrophobicContact CG-CD2 4.47Å; L301-F389 HydrophobicContact CG-CE2 4.1Å; L301-F394 HydrophobicContact CB-CD2 4.4Å; L301-F394 HydrophobicContact CB-CE2 4.2Å; L301-F394 HydrophobicContact CD2-CD2 3.81Å; L301-F394 HydrophobicContact CD2-CE2 4.11Å; L301-W397 HydrophobicContact CD1-CH2 3.94Å; L301-W397 HydrophobicContact CD1-CZ2 4.27Å; L301-W397 HydrophobicContact CD2-CD2 4.49Å; L301-W397 HydrophobicContact CD2-CE3 4.23Å; L301-W397 HydrophobicContact CD2-CH2 4.21Å; L301-W397 HydrophobicContact CD2-CZ2 4.46Å; L301-W397 HydrophobicContact CD2-CZ3 4.09Å
302	S	93.9	Very high	91.7	Very high	29 Å²	29	54.7 Å²	54.7	20%	0.203	27%	0.265	C	S	.	.	H	α-helix	trans	-67.7	-21.9	-179.4	-60.9	0	0	0	0	113.6	V298 E299 H300 R305	V298-S302 WeakPolarHBondContact O-CB 3.48Å; V298-S302 PolarHBondContact O-N 3.39Å; V298-S302 PolarHBondContact O-OG 3.32Å; E299-S302 PolarHBondContact O-N 2.92Å; H300-S302 PolarHBondContact O-N 2.93Å; S302-R305 WeakPolarHBondContact O-CB 3.27Å; S302-R305 PolarHBondContact O-N 3.41Å
303	R	93.6	Very high	92.4	Very high	130 Å²	130	56 Å²	56	49%	0.491	27%	0.269	S	S	.	.	H	α-helix	trans	-65.7	-38.6	175.7	-64.3	172.7	-168.9	-166.4	0.2	112.4	H300 L301 R305 V414 A418	H300-R303 WeakPolarHBondContact O-CB 3.46Å; H300-R303 PolarHBondContact O-N 2.85Å; L301-R303 VanDerWaalsContact C-N 3.26Å; L301-R303 PolarHBondContact O-N 3.41Å; R303-R305 VanDerWaalsContact C-N 3.31Å; R303-V414 HydrophobicContact CB-CG1 4.24Å; R303-A418 HydrophobicContact CB-CB 4.32Å
304	I	95.4	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	18.5	176	60.4	171.9	0	0	0	112.4	L301 F328 V414 K417 A418	L301-I304 HydrophobicContact CD1-CD1 4.5Å; L301-I304 WeakPolarHBondContact O-CG1 3.43Å; L301-I304 PolarHBondContact O-N 2.91Å; I304-F328 HydrophobicContact CD1-CD2 3.5Å; I304-F328 VanDerWaalsContact CD1-CD2 3.5Å; I304-F328 HydrophobicContact CD1-CE2 3.83Å; I304-F328 HydrophobicContact CG1-CD2 4.01Å; I304-F328 PolarHBondContact O-N 2.9Å; I304-F328 VanDerWaalsContact O-N 3.07Å; I304-V414 HydrophobicContact CD1-CG2 3.99Å; I304-V414 HydrophobicContact CG2-CG1 4.14Å; I304-V414 WeakPolarHBondContact CG2-O 3.3Å; I304-K417 HydrophobicContact CG2-CB 3.98Å; I304-K417 HydrophobicContact CG2-CG 4.34Å; I304-A418 HydrophobicContact CG2-CB 4.21Å
305	R	96.1	Very high	93.2	Very high	28 Å²	28	48.1 Å²	48.1	11%	0.106	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-76.1	129.3	172.7	-170	-177.1	70.3	84.9	-9.5	111.1	L301 S302 R303 K310 F328 N386 S387 D388 F389	L301-R305 PolarHBondContact O-N 3.26Å; S302-R305 WeakPolarHBondContact O-CB 3.27Å; S302-R305 PolarHBondContact O-N 3.41Å; R303-R305 VanDerWaalsContact C-N 3.31Å; R305-K310 PolarHBondContact O-NZ 3.3Å; R305-K310 VanDerWaalsContact O-NZ 3.1Å; R305-F328 WeakPolarHBondContact CA-O 3.46Å; R305-N386 PolarHBondContact NH1-O 3.32Å; R305-N386 PolarHBondContact NH2-O 3.3Å; R305-S387 VanDerWaalsContact CZ-O 3.28Å; R305-S387 PolarHBondContact NH1-O 2.9Å; R305-D388 IonicContact CZ-OD1 3.87Å; R305-D388 IonicContact NE-OD1 2.84Å; R305-D388 PolarHBondContact NE-OD1 2.7Å; R305-D388 VanDerWaalsContact NH2-CG 3.3Å; R305-D388 IonicContact NH2-OD1 2.77Å; R305-D388 PolarHBondContact NH2-OD1 2.88Å; R305-D388 IonicContact NH2-OD2 3.06Å; R305-D388 PolarHBondContact NH2-OD2 2.75Å; R305-F389 HydrophobicContact CB-CD2 4.46Å; R305-F389 HydrophobicContact CB-CE2 3.73Å; R305-F389 HydrophobicContact CB-CZ 4.26Å; R305-F389 HydrophobicContact CG-CD2 4.29Å; R305-F389 HydrophobicContact CG-CE2 3.61Å; R305-F389 HydrophobicContact CG-CZ 3.74Å
306	L	96.3	Very high	93.4	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.233	C	C	.	.			trans	-104.3	128	170.6	-58.1	-179.3	0	0	0	110.3	K310 M311 W314 I324 C327 F328 V329 I421	L306-K310 HydrophobicContact CD2-CD 3.8Å; L306-M311 HydrophobicContact CB-CE 3.51Å; L306-M311 HydrophobicContact CD1-CE 3.4Å; L306-M311 VanDerWaalsContact CD1-CE 3.4Å; L306-M311 HydrophobicContact CG-CE 4.09Å; L306-W314 HydrophobicContact CD2-CH2 4.34Å; L306-W314 HydrophobicContact CD2-CZ3 3.89Å; L306-I324 HydrophobicContact CD1-CB 3.83Å; L306-I324 HydrophobicContact CD1-CG2 3.6Å; L306-C327 HydrophobicContact CD1-CB 3.48Å; L306-C327 VanDerWaalsContact CD1-CB 3.48Å; L306-C327 HydrophobicContact CG-CB 3.87Å; L306-F328 PolarHBondContact N-O 2.95Å; L306-V329 HydrophobicContact CB-CG1 4.26Å; L306-I421 HydrophobicContact CD2-CD1 4.05Å; L306-I421 HydrophobicContact CD2-CG1 4.47Å; L306-I421 HydrophobicContact CD2-CG2 4.38Å
307	S	95.7	Very high	93.8	Very high	15 Å²	15	45.8 Å²	45.8	11%	0.105	21%	0.208	C	C	.	.			trans	-90.1	159.3	174.8	64.2	0	0	0	0	110.5	F309 K310 M311	S307-F309 PolarHBondContact O-N 3.39Å; S307-K310 PolarHBondContact O-N 2.82Å; S307-K310 PolarHBondContact OG-N 3.48Å; S307-M311 WeakPolarHBondContact O-CG 3.3Å; S307-M311 PolarHBondContact O-N 3.42Å; S307-M311 VanDerWaalsContact O-N 3.09Å
308	R	95.8	Very high	93.8	Very high	75 Å²	75	46.2 Å²	46.2	28%	0.283	21%	0.21	S	C	.	.	H	α-helix	trans	-56.6	-36.5	173.3	-176.9	-175.9	153.4	-150.1	-12.2	111.9	K310 M311 E312 L359 G360 I384 N386	R308-K310 PolarHBondContact O-N 2.71Å; R308-M311 WeakPolarHBondContact O-CB 3.25Å; R308-M311 PolarHBondContact O-N 3.31Å; R308-E312 WeakPolarHBondContact O-CB 3.36Å; R308-E312 PolarHBondContact O-N 3Å; R308-L359 HydrophobicContact CG-CD1 4.03Å; R308-G360 VanDerWaalsContact NH2-CA 3.32Å; R308-I384 HydrophobicContact CB-CB 4.27Å; R308-I384 HydrophobicContact CB-CG2 4.34Å; R308-I384 WeakPolarHBondContact CB-O 3.44Å; R308-N386 WeakPolarHBondContact CA-OD1 3.43Å; R308-N386 WeakPolarHBondContact CB-OD1 3.5Å; R308-N386 PolarHBondContact N-OD1 3.09Å
309	F	94.8	Very high	93.6	Very high	123 Å²	123	48.3 Å²	48.3	54%	0.539	22%	0.218	S	C	.	.	H	α-helix	trans	-64.3	-34.1	175.3	-62.1	-47.4	0	0	0	114.1	S307 K313 N386	S307-F309 PolarHBondContact O-N 3.39Å; F309-K313 WeakPolarHBondContact O-CG 3.5Å; F309-K313 PolarHBondContact O-N 3.23Å; F309-N386 HydrophobicContact CD2-CB 4.25Å; F309-N386 VanDerWaalsContact CD2-CG 3.42Å; F309-N386 VanDerWaalsContact CD2-OD1 3.29Å; F309-N386 WeakPolarHBondContact CD2-OD1 3.45Å; F309-N386 HydrophobicContact CE2-CB 4.09Å; F309-N386 VanDerWaalsContact CE2-CG 3.46Å; F309-N386 WeakPolarHBondContact CE2-ND2 3.48Å; F309-N386 WeakPolarHBondContact CG-OD1 3.28Å; F309-N386 WeakPolarHBondContact CZ-ND2 3.48Å; F309-N386 PolarHBondContact N-OD1 3.43Å
310	K	93.6	Very high	93.6	Very high	61 Å²	61	41.9 Å²	41.9	27%	0.265	19%	0.188	S	C	.	.	H	α-helix	trans	-67.4	-45.9	171.9	-72.9	176.4	179.7	179.4	0	110.2	R305 L306 S307 R308 E312 K313 W314	R305-K310 PolarHBondContact O-NZ 3.3Å; R305-K310 VanDerWaalsContact O-NZ 3.1Å; L306-K310 HydrophobicContact CD2-CD 3.8Å; S307-K310 PolarHBondContact O-N 2.82Å; S307-K310 PolarHBondContact OG-N 3.48Å; R308-K310 PolarHBondContact O-N 2.71Å; K310-E312 PolarHBondContact O-N 2.98Å; K310-K313 PolarHBondContact O-N 3.36Å; K310-W314 HydrophobicContact CB-CE3 4.34Å; K310-W314 HydrophobicContact CB-CH2 3.84Å; K310-W314 HydrophobicContact CB-CZ2 4.02Å; K310-W314 HydrophobicContact CB-CZ3 4.02Å; K310-W314 HydrophobicContact CD-CH2 3.75Å; K310-W314 HydrophobicContact CD-CZ2 4.35Å; K310-W314 HydrophobicContact CD-CZ3 4.36Å; K310-W314 HydrophobicContact CG-CH2 3.84Å; K310-W314 HydrophobicContact CG-CZ2 3.98Å; K310-W314 HydrophobicContact CG-CZ3 4.49Å; K310-W314 PolarHBondContact O-N 2.86Å; K310-W314 VanDerWaalsContact O-N 3.13Å
311	M	94.6	Very high	93.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-57.5	-49.2	178.5	-68.5	-80.2	162.6	0	0	112.4	L306 S307 R308 K313 W314 V315 F320 I324 V329 I347 L381 I384	L306-M311 HydrophobicContact CB-CE 3.51Å; L306-M311 HydrophobicContact CD1-CE 3.4Å; L306-M311 VanDerWaalsContact CD1-CE 3.4Å; L306-M311 HydrophobicContact CG-CE 4.09Å; S307-M311 WeakPolarHBondContact O-CG 3.3Å; S307-M311 PolarHBondContact O-N 3.42Å; S307-M311 VanDerWaalsContact O-N 3.09Å; R308-M311 WeakPolarHBondContact O-CB 3.25Å; R308-M311 PolarHBondContact O-N 3.31Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 3.48Å; M311-W314 PolarHBondContact O-N 2.89Å; M311-V315 WeakPolarHBondContact O-CB 3.25Å; M311-V315 PolarHBondContact O-N 3.26Å; M311-F320 HydrophobicContact SD-CE2 3.81Å; M311-F320 HydrophobicContact SD-CZ 3.61Å; M311-I324 HydrophobicContact CE-CB 4.12Å; M311-I324 HydrophobicContact CE-CD1 4.05Å; M311-I324 HydrophobicContact CE-CG2 3.88Å; M311-I324 HydrophobicContact SD-CD1 4.04Å; M311-I324 HydrophobicContact SD-CG2 4.4Å; M311-V329 HydrophobicContact CE-CG1 4.25Å; M311-I347 HydrophobicContact CE-CD1 3.72Å; M311-L381 HydrophobicContact CB-CD2 4.26Å; M311-L381 HydrophobicContact SD-CD2 4.41Å; M311-L381 HydrophobicContact SD-CG 4.46Å; M311-I384 HydrophobicContact CE-CD1 4.47Å; M311-I384 HydrophobicContact CG-CD1 3.75Å; M311-I384 HydrophobicContact SD-CD1 4.12Å
312	E	94	Very high	93.7	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-40.5	178.4	179.6	169.7	168.1	0	0	112.9	R308 K310 L359 G360 D361 T362	R308-E312 WeakPolarHBondContact O-CB 3.36Å; R308-E312 PolarHBondContact O-N 3Å; K310-E312 PolarHBondContact O-N 2.98Å; E312-L359 HydrophobicContact CB-CD2 4.34Å; E312-L359 HydrophobicContact CB-CG 4.25Å; E312-L359 VanDerWaalsContact CD-O 3.24Å; E312-L359 WeakPolarHBondContact CG-O 3.36Å; E312-G360 WeakPolarHBondContact OE1-CA 3.49Å; E312-D361 PolarHBondContact OE1-N 2.83Å; E312-T362 HydrophobicContact CG-CG2 4.08Å
313	K	91.6	Very high	93.7	Very high	166 Å²	166	46 Å²	46	72%	0.722	21%	0.209	S	C	*	.	H	α-helix	trans	-69.1	-35.2	176.7	-72.2	179	179.3	-173.5	0	113.1	F309 K310 M311	F309-K313 WeakPolarHBondContact O-CG 3.5Å; F309-K313 PolarHBondContact O-N 3.23Å; K310-K313 PolarHBondContact O-N 3.36Å; M311-K313 VanDerWaalsContact C-N 3.32Å; M311-K313 PolarHBondContact O-N 3.48Å
314	W	92.6	Very high	93.8	Very high	28 Å²	28	39.8 Å²	39.8	11%	0.106	19%	0.185	C	C	.	.	H	α-helix	trans	-102.1	-9.6	-170.6	-52.7	-24.5	0	0	0	115.1	L306 K310 M311 H316 M317 F320 L323 I421 I425	L306-W314 HydrophobicContact CD2-CH2 4.34Å; L306-W314 HydrophobicContact CD2-CZ3 3.89Å; K310-W314 HydrophobicContact CB-CE3 4.34Å; K310-W314 HydrophobicContact CB-CH2 3.84Å; K310-W314 HydrophobicContact CB-CZ2 4.02Å; K310-W314 HydrophobicContact CB-CZ3 4.02Å; K310-W314 HydrophobicContact CD-CH2 3.75Å; K310-W314 HydrophobicContact CD-CZ2 4.35Å; K310-W314 HydrophobicContact CD-CZ3 4.36Å; K310-W314 HydrophobicContact CG-CH2 3.84Å; K310-W314 HydrophobicContact CG-CZ2 3.98Å; K310-W314 HydrophobicContact CG-CZ3 4.49Å; K310-W314 PolarHBondContact O-N 2.86Å; K310-W314 VanDerWaalsContact O-N 3.13Å; M311-W314 PolarHBondContact O-N 2.89Å; W314-H316 PolarHBondContact O-N 3.42Å; W314-M317 HydrophobicContact CB-CG 4.23Å; W314-M317 VanDerWaalsContact O-CB 3.29Å; W314-M317 WeakPolarHBondContact O-CB 3.42Å; W314-M317 WeakPolarHBondContact O-CG 3.28Å; W314-M317 PolarHBondContact O-N 3.46Å; W314-F320 VanDerWaalsContact C-CD2 3.49Å; W314-F320 HydrophobicContact CB-CD2 3.58Å; W314-F320 HydrophobicContact CB-CE2 4.01Å; W314-F320 WeakPolarHBondContact O-CB 3.43Å; W314-F320 VanDerWaalsContact O-CD2 3.29Å; W314-F320 WeakPolarHBondContact O-CD2 3.39Å; W314-F320 WeakPolarHBondContact O-CG 3.21Å; W314-L323 HydrophobicContact CE3-CD2 3.95Å; W314-L323 HydrophobicContact CZ3-CD2 4.07Å; W314-I421 HydrophobicContact CH2-CG2 3.88Å; W314-I421 HydrophobicContact CZ3-CG2 4.36Å; W314-I425 HydrophobicContact CH2-CD1 4.05Å; W314-I425 HydrophobicContact CH2-CG1 3.98Å; W314-I425 HydrophobicContact CZ2-CD1 3.81Å; W314-I425 HydrophobicContact CZ2-CG1 3.4Å
315	V	93.7	Very high	93.8	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-26	-171.9	68.9	0	0	0	0	115.3	M311 F320 T364 K366 L381	M311-V315 WeakPolarHBondContact O-CB 3.25Å; M311-V315 PolarHBondContact O-N 3.26Å; V315-F320 HydrophobicContact CB-CZ 4.39Å; V315-F320 HydrophobicContact CG2-CE1 4.27Å; V315-F320 HydrophobicContact CG2-CZ 4.46Å; V315-T364 HydrophobicContact CG2-CG2 4.08Å; V315-T364 VanDerWaalsContact CG2-OG1 3.29Å; V315-T364 WeakPolarHBondContact CG2-OG1 3.3Å; V315-K366 HydrophobicContact CG2-CB 4.47Å; V315-K366 HydrophobicContact CG2-CD 4.15Å; V315-L381 HydrophobicContact CB-CD2 4.44Å; V315-L381 HydrophobicContact CG2-CD2 3.86Å
316	H	93.2	Very high	93.7	Very high	21 Å²	21	42.1 Å²	42.1	10%	0.097	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	3	177.9	-57.9	-63.8	0	0	0	114.6	W314 R363 I438 K442 F445	W314-H316 PolarHBondContact O-N 3.42Å; H316-R363 PolarHBondContact CE1-O 2.83Å; H316-R363 PolarHBondContact NE2-O 3.38Å; H316-I438 HydrophobicContact CB-CG2 4.45Å; H316-I438 WeakPolarHBondContact O-CG1 3.48Å; H316-K442 HydrophobicContact CB-CG 4.13Å; H316-F445 AromaticContact CE1-CD2 3.78Å
317	M	91.3	Very high	93.7	Very high	25 Å²	25	42.1 Å²	42.1	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-76.4	142	174.8	-61.9	-60.2	-66.2	0	0	109.9	W314 F319 F320 I429 I438	W314-M317 HydrophobicContact CB-CG 4.23Å; W314-M317 VanDerWaalsContact O-CB 3.29Å; W314-M317 WeakPolarHBondContact O-CB 3.42Å; W314-M317 WeakPolarHBondContact O-CG 3.28Å; W314-M317 PolarHBondContact O-N 3.46Å; M317-F319 HydrophobicContact CB-CD2 4.4Å; M317-F319 HydrophobicContact CB-CE1 4.33Å; M317-F319 HydrophobicContact CB-CE2 4.09Å; M317-F319 HydrophobicContact CB-CZ 4.08Å; M317-F319 HydrophobicContact CE-CD1 4.42Å; M317-F319 HydrophobicContact CE-CE1 3.4Å; M317-F319 VanDerWaalsContact CE-CE1 3.4Å; M317-F319 HydrophobicContact CE-CZ 3.47Å; M317-F319 VanDerWaalsContact CE-CZ 3.47Å; M317-F319 HydrophobicContact CG-CE2 4.47Å; M317-F319 HydrophobicContact CG-CZ 4.22Å; M317-F319 PolarHBondContact O-N 2.94Å; M317-F320 HydrophobicContact CB-CB 4.39Å; M317-F320 WeakPolarHBondContact O-CB 3.35Å; M317-F320 PolarHBondContact O-N 3.44Å; M317-F320 VanDerWaalsContact O-N 3.16Å; M317-I429 HydrophobicContact CE-CD1 3.59Å; M317-I429 HydrophobicContact CE-CG1 3.91Å; M317-I429 HydrophobicContact SD-CD1 4.02Å; M317-I438 HydrophobicContact CE-CD1 3.96Å; M317-I438 HydrophobicContact SD-CD1 3.54Å; M317-I438 VanDerWaalsContact SD-CD1 3.54Å; M317-I438 HydrophobicContact SD-CG1 4.14Å
318	P	90.4	Very high	93.7	Very high	47 Å²	47	41.6 Å²	41.6	31%	0.305	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-36.6	-177.2	25.1	-33.9	0	0	0	112.9	F320 V434	P318-F320 PolarHBondContact O-N 2.67Å; P318-V434 HydrophobicContact CG-CG1 3.93Å
319	F	90.3	Very high	93.8	Very high	60 Å²	60	38 Å²	38	26%	0.263	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	1.3	177	57.8	-107	0	0	0	114	M317 D321 D322 L323 A424	M317-F319 HydrophobicContact CB-CD2 4.4Å; M317-F319 HydrophobicContact CB-CE1 4.33Å; M317-F319 HydrophobicContact CB-CE2 4.09Å; M317-F319 HydrophobicContact CB-CZ 4.08Å; M317-F319 HydrophobicContact CE-CD1 4.42Å; M317-F319 HydrophobicContact CE-CE1 3.4Å; M317-F319 VanDerWaalsContact CE-CE1 3.4Å; M317-F319 HydrophobicContact CE-CZ 3.47Å; M317-F319 VanDerWaalsContact CE-CZ 3.47Å; M317-F319 HydrophobicContact CG-CE2 4.47Å; M317-F319 HydrophobicContact CG-CZ 4.22Å; M317-F319 PolarHBondContact O-N 2.94Å; F319-D321 VanDerWaalsContact C-N 3.31Å; F319-D321 PolarHBondContact O-N 3.45Å; F319-D322 PolarHBondContact O-N 3Å; F319-L323 HydrophobicContact CD2-CB 4.26Å; F319-L323 HydrophobicContact CD2-CD2 3.97Å; F319-L323 HydrophobicContact CE2-CD2 3.91Å; F319-L323 VanDerWaalsContact O-CB 3.24Å; F319-L323 WeakPolarHBondContact O-CB 3.43Å; F319-L323 PolarHBondContact O-N 2.95Å; F319-A424 HydrophobicContact CE2-CB 3.98Å; F319-A424 HydrophobicContact CZ-CB 4.44Å
320	F	93.4	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-45.2	-175.1	177.6	-109.7	0	0	0	112.3	M311 W314 V315 M317 P318 D322 L323 I324 K366 L381	M311-F320 HydrophobicContact SD-CE2 3.81Å; M311-F320 HydrophobicContact SD-CZ 3.61Å; W314-F320 VanDerWaalsContact C-CD2 3.49Å; W314-F320 HydrophobicContact CB-CD2 3.58Å; W314-F320 HydrophobicContact CB-CE2 4.01Å; W314-F320 WeakPolarHBondContact O-CB 3.43Å; W314-F320 VanDerWaalsContact O-CD2 3.29Å; W314-F320 WeakPolarHBondContact O-CD2 3.39Å; W314-F320 WeakPolarHBondContact O-CG 3.21Å; V315-F320 HydrophobicContact CB-CZ 4.39Å; V315-F320 HydrophobicContact CG2-CE1 4.27Å; V315-F320 HydrophobicContact CG2-CZ 4.46Å; M317-F320 HydrophobicContact CB-CB 4.39Å; M317-F320 WeakPolarHBondContact O-CB 3.35Å; M317-F320 PolarHBondContact O-N 3.44Å; M317-F320 VanDerWaalsContact O-N 3.16Å; P318-F320 PolarHBondContact O-N 2.67Å; F320-D322 VanDerWaalsContact C-N 3.3Å; F320-D322 PolarHBondContact O-N 3.02Å; F320-L323 PolarHBondContact O-N 2.89Å; F320-I324 HydrophobicContact CD1-CD1 4.35Å; F320-I324 HydrophobicContact CD2-CG2 3.97Å; F320-I324 HydrophobicContact CE1-CD1 3.71Å; F320-I324 HydrophobicContact CE2-CD1 4.11Å; F320-I324 HydrophobicContact CE2-CG2 3.79Å; F320-I324 HydrophobicContact CZ-CD1 3.59Å; F320-I324 HydrophobicContact CZ-CG2 4.36Å; F320-I324 WeakPolarHBondContact O-CG1 3.04Å; F320-I324 WeakPolarHBondContact O-CG2 3.22Å; F320-I324 PolarHBondContact O-N 2.87Å; F320-K366 HydrophobicContact CD1-CD 4Å; F320-K366 HydrophobicContact CE1-CD 4.03Å; F320-L381 HydrophobicContact CE1-CD2 4.41Å; F320-L381 HydrophobicContact CZ-CD2 3.99Å
321	D	94	Very high	94.1	Very high	50 Å²	50	30.6 Å²	30.6	27%	0.267	15%	0.149	S	C	.	.	H	α-helix	trans	-67.9	-31.9	-171.4	-61.1	-28.3	0	0	0	111.8	F319 K325 V350 K366	F319-D321 VanDerWaalsContact C-N 3.31Å; F319-D321 PolarHBondContact O-N 3.45Å; D321-K325 VanDerWaalsContact O-CD 3.26Å; D321-K325 WeakPolarHBondContact O-CD 3.35Å; D321-K325 WeakPolarHBondContact O-CE 3.33Å; D321-K325 VanDerWaalsContact O-CG 3.24Å; D321-K325 WeakPolarHBondContact O-CG 3.34Å; D321-V350 HydrophobicContact CB-CB 4.33Å; D321-V350 HydrophobicContact CB-CG2 4.27Å; D321-V350 WeakPolarHBondContact OD1-CG1 3.4Å; D321-K366 IonicContact OD1-NZ 2.76Å; D321-K366 PolarHBondContact OD1-NZ 3.45Å; D321-K366 IonicContact OD2-NZ 3.25Å; D321-K366 PolarHBondContact OD2-NZ 3.33Å
322	D	93.8	Very high	94.2	Very high	102 Å²	102	32.6 Å²	32.6	55%	0.545	16%	0.16	S	C	.	.	H	α-helix	trans	-88.4	-34.2	177.7	-61.1	-34.9	0	0	0	112.9	F319 F320 I324 K325 K417	F319-D322 PolarHBondContact O-N 3Å; F320-D322 VanDerWaalsContact C-N 3.3Å; F320-D322 PolarHBondContact O-N 3.02Å; D322-I324 VanDerWaalsContact C-N 3.34Å; D322-I324 PolarHBondContact O-N 3.29Å; D322-K325 IonicContact OD1-NZ 2.77Å; D322-K325 PolarHBondContact OD1-NZ 3.46Å; D322-K417 PolarHBondContact O-NZ 2.98Å
323	L	94	Very high	94.1	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-41	177	-179.7	63.4	0	0	0	111.9	W314 F319 F320 C327 K417 E420 I421 A424	W314-L323 HydrophobicContact CE3-CD2 3.95Å; W314-L323 HydrophobicContact CZ3-CD2 4.07Å; F319-L323 HydrophobicContact CD2-CB 4.26Å; F319-L323 HydrophobicContact CD2-CD2 3.97Å; F319-L323 HydrophobicContact CE2-CD2 3.91Å; F319-L323 VanDerWaalsContact O-CB 3.24Å; F319-L323 WeakPolarHBondContact O-CB 3.43Å; F319-L323 PolarHBondContact O-N 2.95Å; F320-L323 PolarHBondContact O-N 2.89Å; L323-C327 PolarHBondContact O-SG 3.4Å; L323-C327 VanDerWaalsContact O-SG 3.39Å; L323-K417 WeakPolarHBondContact O-CE 3.42Å; L323-K417 PolarHBondContact O-NZ 3.38Å; L323-E420 HydrophobicContact CD1-CG 3.86Å; L323-E420 VanDerWaalsContact CD1-OE1 3.29Å; L323-E420 WeakPolarHBondContact CD1-OE1 3.34Å; L323-I421 HydrophobicContact CD1-CG1 4.22Å; L323-A424 HydrophobicContact CD1-CB 4.01Å; L323-A424 HydrophobicContact CD2-CB 3.54Å; L323-A424 HydrophobicContact CG-CB 4.44Å
324	I	95.5	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-85.4	-14.4	-174.2	74.2	171.5	0	0	0	114.6	L306 M311 F320 D322 C327 I347 V350 I368	L306-I324 HydrophobicContact CD1-CB 3.83Å; L306-I324 HydrophobicContact CD1-CG2 3.6Å; M311-I324 HydrophobicContact CE-CB 4.12Å; M311-I324 HydrophobicContact CE-CD1 4.05Å; M311-I324 HydrophobicContact CE-CG2 3.88Å; M311-I324 HydrophobicContact SD-CD1 4.04Å; M311-I324 HydrophobicContact SD-CG2 4.4Å; F320-I324 HydrophobicContact CD1-CD1 4.35Å; F320-I324 HydrophobicContact CD2-CG2 3.97Å; F320-I324 HydrophobicContact CE1-CD1 3.71Å; F320-I324 HydrophobicContact CE2-CD1 4.11Å; F320-I324 HydrophobicContact CE2-CG2 3.79Å; F320-I324 HydrophobicContact CZ-CD1 3.59Å; F320-I324 HydrophobicContact CZ-CG2 4.36Å; F320-I324 WeakPolarHBondContact O-CG1 3.04Å; F320-I324 WeakPolarHBondContact O-CG2 3.22Å; F320-I324 PolarHBondContact O-N 2.87Å; D322-I324 VanDerWaalsContact C-N 3.34Å; D322-I324 PolarHBondContact O-N 3.29Å; I324-C327 VanDerWaalsContact O-CB 3.28Å; I324-C327 WeakPolarHBondContact O-CB 3.42Å; I324-C327 PolarHBondContact O-N 3.21Å; I324-C327 VanDerWaalsContact O-N 3.14Å; I324-I347 HydrophobicContact CB-CD1 4.12Å; I324-I347 HydrophobicContact CD1-CD1 4.25Å; I324-I347 HydrophobicContact CD1-CG2 4.45Å; I324-I347 HydrophobicContact CG1-CD1 4.39Å; I324-I347 HydrophobicContact CG1-CG2 4.24Å; I324-I347 WeakPolarHBondContact O-CB 3.09Å; I324-V350 HydrophobicContact CD1-CG2 3.63Å; I324-V350 HydrophobicContact CG1-CG2 3.73Å; I324-I368 HydrophobicContact CD1-CG2 3.79Å
325	K	95.3	Very high	94.2	Very high	64 Å²	64	33.3 Å²	33.3	28%	0.278	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	136	173.6	-73.8	165.1	-168.2	161	0	110.2	D321 D322 C327 D349 K417	D321-K325 VanDerWaalsContact O-CD 3.26Å; D321-K325 WeakPolarHBondContact O-CD 3.35Å; D321-K325 WeakPolarHBondContact O-CE 3.33Å; D321-K325 VanDerWaalsContact O-CG 3.24Å; D321-K325 WeakPolarHBondContact O-CG 3.34Å; D322-K325 IonicContact OD1-NZ 2.77Å; D322-K325 PolarHBondContact OD1-NZ 3.46Å; K325-C327 PolarHBondContact O-N 3.46Å; K325-D349 WeakPolarHBondContact CE-OD1 3.24Å; K325-D349 IonicContact NZ-OD1 3.16Å; K325-K417 VanDerWaalsContact O-CE 3.3Å; K325-K417 WeakPolarHBondContact O-CE 3.39Å
326	G	94.3	Very high	94	Very high	13 Å²	13	38.4 Å²	38.4	13%	0.134	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	-1.7	-174.8	0	0	0	0	0	115.3	I347	G326-I347 PolarHBondContact N-O 3.43Å
327	C	96.1	Very high	93.9	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.239	C	C	.	.			trans	-83.7	163.3	173	-61.4	0	0	0	0	111.5	L306 L323 I324 K325 I347 K417	L306-C327 HydrophobicContact CD1-CB 3.48Å; L306-C327 VanDerWaalsContact CD1-CB 3.48Å; L306-C327 HydrophobicContact CG-CB 3.87Å; L323-C327 PolarHBondContact O-SG 3.4Å; L323-C327 VanDerWaalsContact O-SG 3.39Å; I324-C327 VanDerWaalsContact O-CB 3.28Å; I324-C327 WeakPolarHBondContact O-CB 3.42Å; I324-C327 PolarHBondContact O-N 3.21Å; I324-C327 VanDerWaalsContact O-N 3.14Å; K325-C327 PolarHBondContact O-N 3.46Å; C327-I347 PolarHBondContact O-N 3.34Å; C327-K417 VanDerWaalsContact SG-CE 3.59Å
328	F	96.5	Very high	93.9	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	146	-178.1	-74.3	-99	0	0	0	112.4	L301 I304 R305 L306 A345 E346 F389 W397 P409	L301-F328 HydrophobicContact CD1-CB 4.36Å; L301-F328 HydrophobicContact CD1-CD1 3.87Å; L301-F328 HydrophobicContact CD1-CD2 3.64Å; L301-F328 HydrophobicContact CD1-CE1 4.04Å; L301-F328 HydrophobicContact CD1-CE2 3.82Å; L301-F328 HydrophobicContact CD1-CG 3.66Å; L301-F328 HydrophobicContact CD1-CZ 4.02Å; L301-F328 HydrophobicContact CD2-CD1 4.21Å; L301-F328 HydrophobicContact CD2-CG 4.46Å; L301-F328 HydrophobicContact CG-CB 4.33Å; L301-F328 HydrophobicContact CG-CD1 4.33Å; L301-F328 HydrophobicContact CG-CD2 4.48Å; L301-F328 HydrophobicContact CG-CG 4.11Å; I304-F328 HydrophobicContact CD1-CD2 3.5Å; I304-F328 VanDerWaalsContact CD1-CD2 3.5Å; I304-F328 HydrophobicContact CD1-CE2 3.83Å; I304-F328 HydrophobicContact CG1-CD2 4.01Å; I304-F328 PolarHBondContact O-N 2.9Å; I304-F328 VanDerWaalsContact O-N 3.07Å; R305-F328 WeakPolarHBondContact CA-O 3.46Å; L306-F328 PolarHBondContact N-O 2.95Å; F328-A345 WeakPolarHBondContact CA-O 3.34Å; F328-E346 HydrophobicContact CD1-CB 4.11Å; F328-E346 HydrophobicContact CE1-CB 3.55Å; F328-E346 HydrophobicContact CE1-CG 4.02Å; F328-E346 HydrophobicContact CE2-CG 4.13Å; F328-E346 HydrophobicContact CZ-CB 3.78Å; F328-E346 HydrophobicContact CZ-CG 3.71Å; F328-F389 HydrophobicContact CB-CE2 4.24Å; F328-F389 HydrophobicContact CB-CZ 3.84Å; F328-W397 HydrophobicContact CD1-CZ2 4.28Å; F328-W397 AromaticContact CE1-CE2 3.67Å; F328-W397 HydrophobicContact CE1-CH2 4.37Å; F328-W397 AromaticContact CE1-CZ2 3.35Å; F328-W397 HydrophobicContact CE1-CZ2 3.35Å; F328-W397 AromaticContact CE1-NE1 3.65Å; F328-W397 AromaticContact CZ-CZ2 3.69Å; F328-W397 HydrophobicContact CZ-CZ2 3.69Å; F328-P409 HydrophobicContact CE2-CG 4.17Å; F328-P409 HydrophobicContact CZ-CG 4.25Å
329	V	97.4	Very high	94	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.3	177.8	-71.4	0	0	0	0	111.2	L306 M311 A345 I347 I368 V370 I384	L306-V329 HydrophobicContact CB-CG1 4.26Å; M311-V329 HydrophobicContact CE-CG1 4.25Å; V329-A345 HydrophobicContact CG2-CB 4.4Å; V329-A345 PolarHBondContact N-O 3.37Å; V329-A345 PolarHBondContact O-N 3Å; V329-I347 HydrophobicContact CG1-CD1 3.74Å; V329-I347 HydrophobicContact CG1-CG1 4.23Å; V329-I347 HydrophobicContact CG2-CG1 4.14Å; V329-I368 HydrophobicContact CG2-CD1 4.04Å; V329-V370 HydrophobicContact CG2-CG1 4.25Å; V329-I384 HydrophobicContact CB-CG2 4.19Å; V329-I384 HydrophobicContact CG1-CD1 4.27Å; V329-I384 HydrophobicContact CG1-CG1 4.45Å; V329-I384 HydrophobicContact CG1-CG2 4.09Å
330	R	97.4	Very high	94.2	Very high	29 Å²	29	49.9 Å²	49.9	11%	0.109	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.1	169.1	-175.3	178.9	-174.5	-115	-3.2	107.6	Y342 S385 S387 D388 F389 E393	R330-Y342 HydrophobicContact CG-CD1 4.06Å; R330-Y342 HydrophobicContact CG-CG 4.26Å; R330-Y342 VanDerWaalsContact CZ-CG 3.42Å; R330-S385 PolarHBondContact NH1-OG 2.8Å; R330-S385 WeakPolarHBondContact O-CB 3.41Å; R330-S385 PolarHBondContact O-N 3.45Å; R330-S387 WeakPolarHBondContact CD-OG 3.44Å; R330-S387 PolarHBondContact NH1-OG 3.32Å; R330-D388 WeakPolarHBondContact CD-O 3.12Å; R330-F389 HydrophobicContact CB-CD1 3.81Å; R330-F389 HydrophobicContact CB-CE1 3.67Å; R330-F389 HydrophobicContact CG-CD1 4.26Å; R330-E393 WeakPolarHBondContact CD-OE2 3.32Å; R330-E393 IonicContact CZ-OE1 3.76Å; R330-E393 IonicContact CZ-OE2 2.59Å; R330-E393 VanDerWaalsContact NE-CD 3.31Å; R330-E393 IonicContact NE-OE1 2.7Å; R330-E393 PolarHBondContact NE-OE1 2.97Å; R330-E393 IonicContact NE-OE2 2.83Å; R330-E393 PolarHBondContact NE-OE2 3.45Å; R330-E393 IonicContact NH2-OE1 3.61Å; R330-E393 PolarHBondContact NH2-OE1 3.3Å
331	I	96.8	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.5	-171.9	-159.6	161	0	0	0	111.8	I333 Y342 R343 A345 V370 F379 F383	I331-I333 HydrophobicContact CG2-CG1 4.14Å; I331-Y342 CarbonylContact O-C 3.57Å; I331-Y342 WeakPolarHBondContact O-CA 3.09Å; I331-R343 PolarHBondContact N-O 3.03Å; I331-R343 PolarHBondContact O-N 3.25Å; I331-A345 HydrophobicContact CG2-CB 3.88Å; I331-V370 HydrophobicContact CD1-CG1 4.18Å; I331-V370 HydrophobicContact CD1-CG2 4.11Å; I331-F379 HydrophobicContact CD1-CB 3.54Å; I331-F379 HydrophobicContact CD1-CD1 3.65Å; I331-F379 HydrophobicContact CD1-CD2 3.53Å; I331-F379 HydrophobicContact CD1-CE1 4.14Å; I331-F379 HydrophobicContact CD1-CE2 4.01Å; I331-F379 HydrophobicContact CD1-CG 3.31Å; I331-F379 HydrophobicContact CD1-CZ 4.3Å; I331-F379 HydrophobicContact CG1-CD1 4.22Å; I331-F379 HydrophobicContact CG1-CE1 4.48Å; I331-F379 HydrophobicContact CG1-CG 4.34Å; I331-F383 HydrophobicContact CG1-CB 4.29Å
332	N	96	Very high	94.4	Very high	43 Å²	43	53.1 Å²	53.1	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119	171.4	-171.6	-10.9	0	0	0	109.2	G334 Y342 F383	N332-G334 PolarHBondContact OD1-N 2.91Å; N332-G334 PolarHBondContact OD1-O 3.05Å; N332-Y342 HydrophobicContact CB-CD1 3.9Å; N332-Y342 HydrophobicContact CB-CE1 3.61Å; N332-F383 PolarHBondContact N-O 2.84Å
333	I	93.3	Very high	94.4	Very high	72 Å²	72	51.5 Å²	51.5	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-24.7	179.6	-63	-174.5	0	0	0	111.2	I331 I341 R343	I331-I333 HydrophobicContact CG2-CG1 4.14Å; I333-I341 PolarHBondContact N-O 2.87Å; I333-R343 HydrophobicContact CD1-CB 3.97Å; I333-R343 VanDerWaalsContact CD1-CD 3.41Å; I333-R343 HydrophobicContact CD1-CG 3.61Å
334	G	91.6	Very high	94.5	Very high	32 Å²	32	51.3 Å²	51.3	33%	0.33	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.8	-163.9	-178.6	0	0	0	0	0	112.4	N332 P340 I341	N332-G334 PolarHBondContact OD1-N 2.91Å; N332-G334 PolarHBondContact OD1-O 3.05Å; G334-P340 WeakPolarHBondContact O-CA 3.26Å; G334-I341 PolarHBondContact O-N 3.18Å
335	L	93.5	Very high	94.6	Very high	134 Å²	134	51.3 Å²	51.3	70%	0.702	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.1	-178	-65	156.6	0	0	0	109.8	G338 V339 P340	L335-G338 WeakPolarHBondContact CD2-O 3.35Å; L335-V339 WeakPolarHBondContact CA-O 3.38Å; L335-P340 HydrophobicContact CD2-CB 4.14Å
336	H	89.9	Confident	94.6	Very high	108 Å²	108	50.1 Å²	50.1	50%	0.5	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.3	170.8	-175.8	75.1	0	0	0	108.4	G338 V339 I341	H336-G338 PolarHBondContact O-N 2.72Å; H336-G338 VanDerWaalsContact O-N 3.11Å; H336-V339 PolarHBondContact N-O 3.39Å; H336-V339 PolarHBondContact O-N 2.68Å; H336-I341 HydrophobicContact CB-CD1 3.33Å; H336-I341 HydrophobicContact CB-CG1 3.8Å
337	Q	90.8	Very high	94.8	Very high	179 Å²	179	49.5 Å²	49.5	84%	0.836	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.9	-174.9	-56.5	178.9	-2.1	0	0	112.9	V339	Q337-V339 VanDerWaalsContact C-N 3.28Å; Q337-V339 PolarHBondContact O-N 3.05Å
338	G	92	Very high	94.8	Very high	64 Å²	64	51.7 Å²	51.7	66%	0.66	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-15.2	-176.4	0	0	0	0	0	115.6	L335 H336	L335-G338 WeakPolarHBondContact CD2-O 3.35Å; H336-G338 PolarHBondContact O-N 2.72Å; H336-G338 VanDerWaalsContact O-N 3.11Å
339	V	92.7	Very high	94.8	Very high	95 Å²	95	54.7 Å²	54.7	58%	0.576	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	131.3	179.5	-176.6	0	0	0	0	110.3	L335 H336 Q337 I341	L335-V339 WeakPolarHBondContact CA-O 3.38Å; H336-V339 PolarHBondContact N-O 3.39Å; H336-V339 PolarHBondContact O-N 2.68Å; Q337-V339 VanDerWaalsContact C-N 3.28Å; Q337-V339 PolarHBondContact O-N 3.05Å; V339-I341 PolarHBondContact O-N 2.94Å
340	P	94	Very high	94.7	Very high	56 Å²	56	55.7 Å²	55.7	36%	0.364	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	117.1	176	27.9	-33.8	0	0	0	110.7	G334 L335 Y342	G334-P340 WeakPolarHBondContact O-CA 3.26Å; L335-P340 HydrophobicContact CD2-CB 4.14Å; P340-Y342 HydrophobicContact CB-CE2 3.86Å; P340-Y342 HydrophobicContact CG-CE2 4.06Å; P340-Y342 WeakPolarHBondContact O-CD2 3.43Å
341	I	95.2	Very high	94.7	Very high	62 Å²	62	57.3 Å²	57.3	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	124.7	176.9	-69.3	-168.3	0	0	0	110.1	I333 G334 H336 V339	I333-I341 PolarHBondContact N-O 2.87Å; G334-I341 PolarHBondContact O-N 3.18Å; H336-I341 HydrophobicContact CB-CD1 3.33Å; H336-I341 HydrophobicContact CB-CG1 3.8Å; V339-I341 PolarHBondContact O-N 2.94Å
342	Y	96.2	Very high	94.6	Very high	55 Å²	55	62 Å²	62	22%	0.216	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	156.2	170	-60.6	-96.4	0	0	0	110.5	R330 I331 N332 P340 E393	R330-Y342 HydrophobicContact CG-CD1 4.06Å; R330-Y342 HydrophobicContact CG-CG 4.26Å; R330-Y342 VanDerWaalsContact CZ-CG 3.42Å; I331-Y342 CarbonylContact O-C 3.57Å; I331-Y342 WeakPolarHBondContact O-CA 3.09Å; N332-Y342 HydrophobicContact CB-CD1 3.9Å; N332-Y342 HydrophobicContact CB-CE1 3.61Å; P340-Y342 HydrophobicContact CB-CE2 3.86Å; P340-Y342 HydrophobicContact CG-CE2 4.06Å; P340-Y342 WeakPolarHBondContact O-CD2 3.43Å; Y342-E393 WeakPolarHBondContact CB-OE1 3.43Å
343	R	95	Very high	94.6	Very high	68 Å²	68	61.5 Å²	61.5	26%	0.257	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.7	167.6	-61.9	-171	-166.1	158.7	4.6	110.5	I331 I333	I331-R343 PolarHBondContact N-O 3.03Å; I331-R343 PolarHBondContact O-N 3.25Å; I333-R343 HydrophobicContact CD1-CB 3.97Å; I333-R343 VanDerWaalsContact CD1-CD 3.41Å; I333-R343 HydrophobicContact CD1-CG 3.61Å
344	C	95.9	Very high	94.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127.8	163.4	-48.2	0	0	0	0	108.7	L301 F389 W397	L301-C344 HydrophobicContact CD2-CB 4.34Å; C344-F389 HydrophobicContact CB-CD1 4.12Å; C344-F389 HydrophobicContact CB-CE1 3.93Å; C344-F389 WeakPolarHBondContact SG-CD1 3.21Å; C344-W397 HydrophobicContact CB-CB 3.88Å; C344-W397 HydrophobicContact CB-CD2 4.48Å; C344-W397 HydrophobicContact CB-CG 3.88Å
345	A	96.4	Very high	94.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.9	176.8	0	0	0	0	0	110.5	F328 V329 I331 V370 V372	F328-A345 WeakPolarHBondContact CA-O 3.34Å; V329-A345 HydrophobicContact CG2-CB 4.4Å; V329-A345 PolarHBondContact N-O 3.37Å; V329-A345 PolarHBondContact O-N 3Å; I331-A345 HydrophobicContact CG2-CB 3.88Å; A345-V370 HydrophobicContact CB-CB 3.8Å; A345-V370 HydrophobicContact CB-CG1 4.48Å; A345-V370 HydrophobicContact CB-CG2 3.81Å; A345-V372 HydrophobicContact CB-CG2 3.54Å
346	E	95.9	Very high	94.8	Very high	39 Å²	39	68 Å²	68	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.1	176.9	-173.8	-171	174.4	0	0	109.4	F328 V348 V370 R371	F328-E346 HydrophobicContact CD1-CB 4.11Å; F328-E346 HydrophobicContact CE1-CB 3.55Å; F328-E346 HydrophobicContact CE1-CG 4.02Å; F328-E346 HydrophobicContact CE2-CG 4.13Å; F328-E346 HydrophobicContact CZ-CB 3.78Å; F328-E346 HydrophobicContact CZ-CG 3.71Å; E346-V348 PolarHBondContact O-N 2.87Å; E346-V370 CarbonylContact O-C 3.56Å; E346-V370 WeakPolarHBondContact O-CA 3.47Å; E346-R371 PolarHBondContact N-O 2.93Å; E346-R371 PolarHBondContact O-N 3.4Å; E346-R371 IonicContact OE1-CZ 3.83Å; E346-R371 IonicContact OE1-NH2 2.78Å; E346-R371 PolarHBondContact OE1-NH2 2.89Å; E346-R371 IonicContact OE2-CZ 3.22Å; E346-R371 IonicContact OE2-NE 2.85Å; E346-R371 PolarHBondContact OE2-NE 3.39Å; E346-R371 IonicContact OE2-NH2 3.91Å; E346-R371 PolarHBondContact OE2-NH2 3.46Å
347	I	97.4	Very high	95.1	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	114.6	172.7	-59.6	170.3	0	0	0	108.6	M311 I324 G326 C327 V329 I368	M311-I347 HydrophobicContact CE-CD1 3.72Å; I324-I347 HydrophobicContact CB-CD1 4.12Å; I324-I347 HydrophobicContact CD1-CD1 4.25Å; I324-I347 HydrophobicContact CD1-CG2 4.45Å; I324-I347 HydrophobicContact CG1-CD1 4.39Å; I324-I347 HydrophobicContact CG1-CG2 4.24Å; I324-I347 WeakPolarHBondContact O-CB 3.09Å; G326-I347 PolarHBondContact N-O 3.43Å; C327-I347 PolarHBondContact O-N 3.34Å; V329-I347 HydrophobicContact CG1-CD1 3.74Å; V329-I347 HydrophobicContact CG1-CG1 4.23Å; V329-I347 HydrophobicContact CG2-CG1 4.14Å; I347-I368 HydrophobicContact CD1-CD1 4.46Å; I347-I368 HydrophobicContact CD1-CG2 4.48Å; I347-I368 HydrophobicContact CG1-CD1 4.28Å; I347-I368 HydrophobicContact CG2-CB 4.42Å; I347-I368 HydrophobicContact CG2-CG2 4.29Å
348	V	96.1	Very high	95.3	Very high	46 Å²	46	59.9 Å²	59.9	28%	0.279	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-43.6	176.1	-179	0	0	0	0	110.9	E346 V369 R371	E346-V348 PolarHBondContact O-N 2.87Å; V348-V369 PolarHBondContact N-O 2.85Å; V348-R371 HydrophobicContact CG2-CB 3.51Å
349	D	96.6	Very high	95.3	Very high	66 Å²	66	56.9 Å²	56.9	35%	0.353	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	172	-174.5	-162.5	17.2	0	0	0	112.6	K325 V369	K325-D349 WeakPolarHBondContact CE-OD1 3.24Å; K325-D349 IonicContact NZ-OD1 3.16Å; D349-V369 HydrophobicContact CB-CB 4.25Å; D349-V369 HydrophobicContact CB-CG2 4.06Å; D349-V369 PolarHBondContact N-O 3.03Å; D349-V369 PolarHBondContact O-N 3.33Å
350	V	96.6	Very high	95.2	Very high	21 Å²	21	54 Å²	54	13%	0.127	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.9	178.5	-166.6	0	0	0	0	109.9	D321 I324 K366 G367	D321-V350 HydrophobicContact CB-CB 4.33Å; D321-V350 HydrophobicContact CB-CG2 4.27Å; D321-V350 WeakPolarHBondContact OD1-CG1 3.4Å; I324-V350 HydrophobicContact CD1-CG2 3.63Å; I324-V350 HydrophobicContact CG1-CG2 3.73Å; V350-K366 HydrophobicContact CG1-CB 4.28Å; V350-K366 HydrophobicContact CG1-CD 4.17Å; V350-G367 CarbonylContact C-O 3.55Å; V350-G367 WeakPolarHBondContact CA-O 3.37Å; V350-G367 WeakPolarHBondContact CG1-O 3.48Å
351	V	96.3	Very high	95	Very high	64 Å²	64	59.2 Å²	59.2	39%	0.388	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	133.6	-173.5	171.2	0	0	0	0	110.1	T353 G367 V369	V351-T353 PolarHBondContact O-N 2.87Å; V351-G367 PolarHBondContact N-O 3.03Å; V351-G367 PolarHBondContact O-N 3.35Å; V351-V369 HydrophobicContact CB-CG2 4.2Å; V351-V369 HydrophobicContact CG2-CG2 3.44Å; V351-V369 VanDerWaalsContact CG2-CG2 3.44Å
352	E	95.4	Very high	94.8	Very high	99 Å²	99	57.7 Å²	57.7	46%	0.463	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.3	170.1	-72.8	-155.7	-174.3	0	0	110.8	N365 R444	E352-N365 PolarHBondContact OE2-ND2 2.71Å; E352-R444 VanDerWaalsContact CD-NH1 3.34Å; E352-R444 IonicContact OE1-CZ 2.75Å; E352-R444 IonicContact OE1-NH1 3.79Å; E352-R444 PolarHBondContact OE1-NH1 3.47Å; E352-R444 IonicContact OE1-NH2 3.49Å; E352-R444 IonicContact OE2-CZ 2.88Å; E352-R444 IonicContact OE2-NH1 2.66Å; E352-R444 PolarHBondContact OE2-NH1 3.45Å; E352-R444 IonicContact OE2-NH2 3.6Å; E352-R444 PolarHBondContact OE2-NH2 2.97Å
353	T	94.9	Very high	94.6	Very high	31 Å²	31	58.6 Å²	58.6	19%	0.19	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	151.1	174	74.6	0	0	0	0	110.4	V351 K355 N365	V351-T353 PolarHBondContact O-N 2.87Å; T353-K355 PolarHBondContact O-N 3.24Å; T353-K355 VanDerWaalsContact O-N 3.13Å; T353-K355 PolarHBondContact OG1-O 2.89Å; T353-N365 WeakPolarHBondContact CA-O 3.44Å; T353-N365 WeakPolarHBondContact CB-O 3.36Å; T353-N365 PolarHBondContact N-O 2.75Å; T353-N365 WeakPolarHBondContact O-CB 3.41Å; T353-N365 PolarHBondContact O-ND2 3.12Å; T353-N365 PolarHBondContact OG1-O 3.01Å
354	P	94.8	Very high	94.6	Very high	134 Å²	134	55.4 Å²	55.4	87%	0.87	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	-3	-178.8	29.1	-36.5	0	0	0	114.1
355	K	95	Very high	94.6	Very high	140 Å²	140	56 Å²	56	61%	0.609	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	111.3	-176.1	-66.2	-175.2	179.6	-178.1	0	109.8	T353 Y357	T353-K355 PolarHBondContact O-N 3.24Å; T353-K355 VanDerWaalsContact O-N 3.13Å; T353-K355 PolarHBondContact OG1-O 2.89Å; K355-Y357 WeakPolarHBondContact O-CD1 3.28Å
356	I	94.5	Very high	94.5	Very high	101 Å²	101	57.3 Å²	57.3	52%	0.518	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	136.9	169.6	-55.6	162	0	0	0	108.6	R363 N365 F445	I356-R363 HydrophobicContact CG2-CB 4.22Å; I356-N365 HydrophobicContact CG1-CB 4.1Å; I356-F445 HydrophobicContact CD1-CD1 3.94Å; I356-F445 HydrophobicContact CD1-CE1 4.44Å; I356-F445 HydrophobicContact CG1-CD1 3.87Å; I356-F445 HydrophobicContact CG1-CE1 4.12Å; I356-F445 HydrophobicContact CG2-CB 4.47Å; I356-F445 HydrophobicContact CG2-CD1 3.91Å
357	Y	95.4	Very high	94.6	Very high	27 Å²	27	55.6 Å²	55.6	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.4	176.2	62.4	-84.3	0	0	0	111.2	K355 L359 R363 T364 K366 R380 L381 A382	K355-Y357 WeakPolarHBondContact O-CD1 3.28Å; Y357-L359 HydrophobicContact CE2-CB 4.43Å; Y357-R363 WeakPolarHBondContact O-CA 3.35Å; Y357-T364 WeakPolarHBondContact CD1-O 3.24Å; Y357-T364 HydrophobicContact CE1-CG2 4.11Å; Y357-T364 HydrophobicContact CE2-CG2 3.9Å; Y357-T364 PolarHBondContact N-O 3.16Å; Y357-T364 PolarHBondContact O-N 3.38Å; Y357-T364 VanDerWaalsContact O-N 3.07Å; Y357-K366 WeakPolarHBondContact CE1-O 3.34Å; Y357-K366 PolarHBondContact OH-O 3.5Å; Y357-R380 HydrophobicContact CD1-CG 4.04Å; Y357-R380 HydrophobicContact CD2-CB 4.47Å; Y357-R380 HydrophobicContact CE1-CB 3.95Å; Y357-R380 HydrophobicContact CE1-CG 3.67Å; Y357-R380 HydrophobicContact CE2-CB 3.86Å; Y357-R380 HydrophobicContact CE2-CG 4.4Å; Y357-L381 WeakPolarHBondContact OH-CD1 3.37Å; Y357-L381 PolarHBondContact OH-N 3.07Å; Y357-A382 HydrophobicContact CD2-CB 4.29Å; Y357-A382 HydrophobicContact CE2-CB 4.12Å
358	D	94.2	Very high	94.6	Very high	90 Å²	90	55.6 Å²	55.6	48%	0.481	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	130.3	177	-55.5	-63	0	0	0	110	R363	D358-R363 WeakPolarHBondContact OD1-CG 3.36Å; D358-R363 IonicContact OD1-CZ 3.38Å; D358-R363 IonicContact OD1-NE 2.77Å; D358-R363 PolarHBondContact OD1-NE 2.72Å; D358-R363 IonicContact OD1-NH2 3.86Å; D358-R363 PolarHBondContact OD1-NH2 3.26Å
359	L	93.6	Very high	94.6	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	82.9	176.1	-179.6	68.3	0	0	0	107.9	R308 E312 Y357 D361 T362 T364 L381	R308-L359 HydrophobicContact CG-CD1 4.03Å; E312-L359 HydrophobicContact CB-CD2 4.34Å; E312-L359 HydrophobicContact CB-CG 4.25Å; E312-L359 VanDerWaalsContact CD-O 3.24Å; E312-L359 WeakPolarHBondContact CG-O 3.36Å; Y357-L359 HydrophobicContact CE2-CB 4.43Å; L359-D361 PolarHBondContact O-N 3.31Å; L359-T362 CarbonylContact C-O 3.59Å; L359-T362 PolarHBondContact N-O 2.97Å; L359-T362 PolarHBondContact O-N 3.24Å; L359-T362 VanDerWaalsContact O-N 3.12Å; L359-T362 PolarHBondContact O-OG1 3.48Å; L359-T364 HydrophobicContact CB-CG2 4.09Å; L359-T364 HydrophobicContact CD2-CG2 4.06Å; L359-L381 HydrophobicContact CD1-CB 3.8Å; L359-L381 HydrophobicContact CD2-CB 3.88Å; L359-L381 HydrophobicContact CD2-CD2 3.69Å; L359-L381 HydrophobicContact CD2-CG 4.46Å
360	G	90.3	Very high	94.7	Very high	34 Å²	34	51 Å²	51	35%	0.351	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	-122.7	-171.4	0	0	0	0	0	110.4	R308 E312 T362	R308-G360 VanDerWaalsContact NH2-CA 3.32Å; E312-G360 WeakPolarHBondContact OE1-CA 3.49Å; G360-T362 VanDerWaalsContact C-N 3.29Å
361	D	89	Confident	94.6	Very high	167 Å²	167	53.8 Å²	53.8	89%	0.893	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.7	178.4	-63.5	-25.5	0	0	0	112.7	E312 L359	E312-D361 PolarHBondContact OE1-N 2.83Å; L359-D361 PolarHBondContact O-N 3.31Å
362	T	91.3	Very high	94.5	Very high	30 Å²	30	51.3 Å²	51.3	18%	0.184	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	165.8	-178.3	70.2	0	0	0	0	112.5	E312 L359 G360	E312-T362 HydrophobicContact CG-CG2 4.08Å; L359-T362 CarbonylContact C-O 3.59Å; L359-T362 PolarHBondContact N-O 2.97Å; L359-T362 PolarHBondContact O-N 3.24Å; L359-T362 VanDerWaalsContact O-N 3.12Å; L359-T362 PolarHBondContact O-OG1 3.48Å; G360-T362 VanDerWaalsContact C-N 3.29Å
363	R	92.7	Very high	94.2	Very high	74 Å²	74	46.7 Å²	46.7	28%	0.279	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139	169.8	-79.8	-175.5	169.4	115.3	24.5	110.3	H316 I356 Y357 D358 F445	H316-R363 PolarHBondContact CE1-O 2.83Å; H316-R363 PolarHBondContact NE2-O 3.38Å; I356-R363 HydrophobicContact CG2-CB 4.22Å; Y357-R363 WeakPolarHBondContact O-CA 3.35Å; D358-R363 WeakPolarHBondContact OD1-CG 3.36Å; D358-R363 IonicContact OD1-CZ 3.38Å; D358-R363 IonicContact OD1-NE 2.77Å; D358-R363 PolarHBondContact OD1-NE 2.72Å; D358-R363 IonicContact OD1-NH2 3.86Å; D358-R363 PolarHBondContact OD1-NH2 3.26Å; R363-F445 HydrophobicContact CB-CB 3.6Å; R363-F445 HydrophobicContact CB-CG 4.45Å; R363-F445 VanDerWaalsContact CD-O 3.23Å; R363-F445 WeakPolarHBondContact CD-O 3.46Å; R363-F445 WeakPolarHBondContact O-CD2 3.45Å
364	T	94.7	Very high	94.1	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	154.8	178.7	-172	0	0	0	0	111	V315 Y357 L359 K366	V315-T364 HydrophobicContact CG2-CG2 4.08Å; V315-T364 VanDerWaalsContact CG2-OG1 3.29Å; V315-T364 WeakPolarHBondContact CG2-OG1 3.3Å; Y357-T364 WeakPolarHBondContact CD1-O 3.24Å; Y357-T364 HydrophobicContact CE1-CG2 4.11Å; Y357-T364 HydrophobicContact CE2-CG2 3.9Å; Y357-T364 PolarHBondContact N-O 3.16Å; Y357-T364 PolarHBondContact O-N 3.38Å; Y357-T364 VanDerWaalsContact O-N 3.07Å; L359-T364 HydrophobicContact CB-CG2 4.09Å; L359-T364 HydrophobicContact CD2-CG2 4.06Å; T364-K366 WeakPolarHBondContact OG1-CB 3.41Å; T364-K366 PolarHBondContact OG1-N 3.26Å
365	N	95.2	Very high	94.1	Very high	13 Å²	13	50.7 Å²	50.7	7%	0.07	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-6.2	164.9	74.7	-34.5	0	0	0	112.3	E352 T353 I356 F445	E352-N365 PolarHBondContact OE2-ND2 2.71Å; T353-N365 WeakPolarHBondContact CA-O 3.44Å; T353-N365 WeakPolarHBondContact CB-O 3.36Å; T353-N365 PolarHBondContact N-O 2.75Å; T353-N365 WeakPolarHBondContact O-CB 3.41Å; T353-N365 PolarHBondContact O-ND2 3.12Å; T353-N365 PolarHBondContact OG1-O 3.01Å; I356-N365 HydrophobicContact CG1-CB 4.1Å; N365-F445 HydrophobicContact CB-CE1 3.95Å; N365-F445 HydrophobicContact CB-CZ 4.42Å; N365-F445 WeakPolarHBondContact OD1-CZ 3.38Å
366	K	95.6	Very high	94.1	Very high	27 Å²	27	49.4 Å²	49.4	12%	0.117	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.5	178.2	-64.5	-167.2	172.6	-165.8	0	111.1	V315 F320 D321 V350 Y357 T364	V315-K366 HydrophobicContact CG2-CB 4.47Å; V315-K366 HydrophobicContact CG2-CD 4.15Å; F320-K366 HydrophobicContact CD1-CD 4Å; F320-K366 HydrophobicContact CE1-CD 4.03Å; D321-K366 IonicContact OD1-NZ 2.76Å; D321-K366 PolarHBondContact OD1-NZ 3.45Å; D321-K366 IonicContact OD2-NZ 3.25Å; D321-K366 PolarHBondContact OD2-NZ 3.33Å; V350-K366 HydrophobicContact CG1-CB 4.28Å; V350-K366 HydrophobicContact CG1-CD 4.17Å; Y357-K366 WeakPolarHBondContact CE1-O 3.34Å; Y357-K366 PolarHBondContact OH-O 3.5Å; T364-K366 WeakPolarHBondContact OG1-CB 3.41Å; T364-K366 PolarHBondContact OG1-N 3.26Å
367	G	96.4	Very high	94.2	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.4	169.2	0	0	0	0	0	109.3	V350 V351 F379	V350-G367 CarbonylContact C-O 3.55Å; V350-G367 WeakPolarHBondContact CA-O 3.37Å; V350-G367 WeakPolarHBondContact CG1-O 3.48Å; V351-G367 PolarHBondContact N-O 3.03Å; V351-G367 PolarHBondContact O-N 3.35Å; G367-F379 CarbonylContact C-O 3.59Å; G367-F379 VanDerWaalsContact CA-O 3.25Å; G367-F379 WeakPolarHBondContact CA-O 3.38Å
368	I	97.3	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	136.8	175.7	50.9	169.5	0	0	0	109.8	I324 V329 I347 V370 F379 L381 I384	I324-I368 HydrophobicContact CD1-CG2 3.79Å; V329-I368 HydrophobicContact CG2-CD1 4.04Å; I347-I368 HydrophobicContact CD1-CD1 4.46Å; I347-I368 HydrophobicContact CD1-CG2 4.48Å; I347-I368 HydrophobicContact CG1-CD1 4.28Å; I347-I368 HydrophobicContact CG2-CB 4.42Å; I347-I368 HydrophobicContact CG2-CG2 4.29Å; I368-V370 HydrophobicContact CB-CG1 4.23Å; I368-V370 HydrophobicContact CD1-CG1 3.57Å; I368-V370 HydrophobicContact CG1-CG1 3.81Å; I368-F379 PolarHBondContact N-O 3.05Å; I368-F379 PolarHBondContact O-N 3.23Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; I368-I384 HydrophobicContact CD1-CD1 3.7Å; I368-I384 HydrophobicContact CD1-CG1 3.98Å
369	V	97.5	Very high	94.3	Very high	13 Å²	13	48.9 Å²	48.9	8%	0.079	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.6	169.2	-163.1	0	0	0	0	107	V348 D349 V351 Q376 T378	V348-V369 PolarHBondContact N-O 2.85Å; D349-V369 HydrophobicContact CB-CB 4.25Å; D349-V369 HydrophobicContact CB-CG2 4.06Å; D349-V369 PolarHBondContact N-O 3.03Å; D349-V369 PolarHBondContact O-N 3.33Å; V351-V369 HydrophobicContact CB-CG2 4.2Å; V351-V369 HydrophobicContact CG2-CG2 3.44Å; V351-V369 VanDerWaalsContact CG2-CG2 3.44Å; V369-Q376 HydrophobicContact CG1-CG 3.59Å; V369-Q376 VanDerWaalsContact CG1-NE2 3.25Å; V369-T378 HydrophobicContact CG1-CG2 4.17Å; V369-T378 HydrophobicContact CG2-CG2 4.09Å
370	V	97	Very high	94.5	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	148.1	-177.6	-47.4	0	0	0	0	111.6	V329 I331 A345 E346 I368 Q376 S377 F379	V329-V370 HydrophobicContact CG2-CG1 4.25Å; I331-V370 HydrophobicContact CD1-CG1 4.18Å; I331-V370 HydrophobicContact CD1-CG2 4.11Å; A345-V370 HydrophobicContact CB-CB 3.8Å; A345-V370 HydrophobicContact CB-CG1 4.48Å; A345-V370 HydrophobicContact CB-CG2 3.81Å; E346-V370 CarbonylContact O-C 3.56Å; E346-V370 WeakPolarHBondContact O-CA 3.47Å; I368-V370 HydrophobicContact CB-CG1 4.23Å; I368-V370 HydrophobicContact CD1-CG1 3.57Å; I368-V370 HydrophobicContact CG1-CG1 3.81Å; V370-Q376 WeakPolarHBondContact O-CA 3.45Å; V370-S377 PolarHBondContact N-O 2.98Å; V370-S377 PolarHBondContact O-N 3.39Å; V370-F379 HydrophobicContact CG2-CD2 3.57Å; V370-F379 HydrophobicContact CG2-CE2 3.63Å
371	R	95.5	Very high	94.8	Very high	80 Å²	80	51.9 Å²	51.9	30%	0.302	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.2	176.5	174.4	169.9	62	-160.2	2.7	110.8	E346 V348 G373 D375	E346-R371 PolarHBondContact N-O 2.93Å; E346-R371 PolarHBondContact O-N 3.4Å; E346-R371 IonicContact OE1-CZ 3.83Å; E346-R371 IonicContact OE1-NH2 2.78Å; E346-R371 PolarHBondContact OE1-NH2 2.89Å; E346-R371 IonicContact OE2-CZ 3.22Å; E346-R371 IonicContact OE2-NE 2.85Å; E346-R371 PolarHBondContact OE2-NE 3.39Å; E346-R371 IonicContact OE2-NH2 3.91Å; E346-R371 PolarHBondContact OE2-NH2 3.46Å; V348-R371 HydrophobicContact CG2-CB 3.51Å; R371-G373 WeakPolarHBondContact CG-O 3.3Å; R371-D375 WeakPolarHBondContact CA-O 3.2Å
372	V	93.5	Very high	95.1	Very high	12 Å²	12	46 Å²	46	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	87.3	175.6	-173.9	0	0	0	0	108.6	A345 D375	A345-V372 HydrophobicContact CB-CG2 3.54Å; V372-D375 PolarHBondContact N-O 3.1Å; V372-D375 PolarHBondContact O-N 2.77Å
373	G	90.3	Very high	95.3	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	-127.1	-168.8	0	0	0	0	0	110.6	R371 M406	R371-G373 WeakPolarHBondContact CG-O 3.3Å; G373-M406 WeakPolarHBondContact O-CE 3.45Å
374	K	91.7	Very high	95.5	Very high	148 Å²	148	45.7 Å²	45.7	64%	0.643	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-22.9	174.9	-77.3	161.4	173	151.2	0	113.3	L403 A404	K374-L403 PolarHBondContact NZ-O 3.46Å; K374-A404 HydrophobicContact CD-CB 4.35Å; K374-A404 HydrophobicContact CG-CB 3.83Å
375	D	94.5	Very high	95.5	Very high	102 Å²	102	46.5 Å²	46.5	55%	0.545	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	125.7	-174	-56.1	-26.9	0	0	0	110.5	R371 V372	R371-D375 WeakPolarHBondContact CA-O 3.2Å; V372-D375 PolarHBondContact N-O 3.1Å; V372-D375 PolarHBondContact O-N 2.77Å
376	Q	95.8	Very high	95.6	Very high	113 Å²	113	48.2 Å²	48.2	53%	0.528	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.2	172.7	-169.4	172.8	8.3	0	0	109.3	V369 V370	V369-Q376 HydrophobicContact CG1-CG 3.59Å; V369-Q376 VanDerWaalsContact CG1-NE2 3.25Å; V370-Q376 WeakPolarHBondContact O-CA 3.45Å
377	S	95.9	Very high	95.6	Very high	61 Å²	61	49.1 Å²	49.1	43%	0.427	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	147.1	-176	-76.2	0	0	0	0	112	V370	V370-S377 PolarHBondContact N-O 2.98Å; V370-S377 PolarHBondContact O-N 3.39Å
378	T	96.5	Very high	95.5	Very high	101 Å²	101	53 Å²	53	62%	0.62	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	129.9	-179.3	59.2	0	0	0	0	110.8	V369	V369-T378 HydrophobicContact CG1-CG2 4.17Å; V369-T378 HydrophobicContact CG2-CG2 4.09Å
379	F	96.7	Very high	95.5	Very high	44 Å²	44	53.5 Å²	53.5	19%	0.193	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.9	-179.3	-70.5	-97.5	0	0	0	111.7	I331 G367 I368 V370 F383	I331-F379 HydrophobicContact CD1-CB 3.54Å; I331-F379 HydrophobicContact CD1-CD1 3.65Å; I331-F379 HydrophobicContact CD1-CD2 3.53Å; I331-F379 HydrophobicContact CD1-CE1 4.14Å; I331-F379 HydrophobicContact CD1-CE2 4.01Å; I331-F379 HydrophobicContact CD1-CG 3.31Å; I331-F379 HydrophobicContact CD1-CZ 4.3Å; I331-F379 HydrophobicContact CG1-CD1 4.22Å; I331-F379 HydrophobicContact CG1-CE1 4.48Å; I331-F379 HydrophobicContact CG1-CG 4.34Å; G367-F379 CarbonylContact C-O 3.59Å; G367-F379 VanDerWaalsContact CA-O 3.25Å; G367-F379 WeakPolarHBondContact CA-O 3.38Å; I368-F379 PolarHBondContact N-O 3.05Å; I368-F379 PolarHBondContact O-N 3.23Å; V370-F379 HydrophobicContact CG2-CD2 3.57Å; V370-F379 HydrophobicContact CG2-CE2 3.63Å; F379-F383 HydrophobicContact CD1-CD2 4.3Å
380	R	96.8	Very high	95.4	Very high	97 Å²	97	57.7 Å²	57.7	37%	0.366	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	147.3	168.1	-64.9	-178.2	-170.4	130.2	12.6	110.3	Y357 A382 F383	Y357-R380 HydrophobicContact CD1-CG 4.04Å; Y357-R380 HydrophobicContact CD2-CB 4.47Å; Y357-R380 HydrophobicContact CE1-CB 3.95Å; Y357-R380 HydrophobicContact CE1-CG 3.67Å; Y357-R380 HydrophobicContact CE2-CB 3.86Å; Y357-R380 HydrophobicContact CE2-CG 4.4Å; R380-A382 PolarHBondContact O-N 3.37Å; R380-F383 HydrophobicContact CB-CD2 3.92Å; R380-F383 HydrophobicContact CB-CE2 3.99Å; R380-F383 HydrophobicContact CG-CE2 4.4Å; R380-F383 PolarHBondContact O-N 3.31Å
381	L	96.5	Very high	95.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-58.4	-22.9	176.5	-77.4	59.4	0	0	0	112.3	M311 V315 F320 Y357 L359 I368 F383 I384	M311-L381 HydrophobicContact CB-CD2 4.26Å; M311-L381 HydrophobicContact SD-CD2 4.41Å; M311-L381 HydrophobicContact SD-CG 4.46Å; V315-L381 HydrophobicContact CB-CD2 4.44Å; V315-L381 HydrophobicContact CG2-CD2 3.86Å; F320-L381 HydrophobicContact CE1-CD2 4.41Å; F320-L381 HydrophobicContact CZ-CD2 3.99Å; Y357-L381 WeakPolarHBondContact OH-CD1 3.37Å; Y357-L381 PolarHBondContact OH-N 3.07Å; L359-L381 HydrophobicContact CD1-CB 3.8Å; L359-L381 HydrophobicContact CD2-CB 3.88Å; L359-L381 HydrophobicContact CD2-CD2 3.69Å; L359-L381 HydrophobicContact CD2-CG 4.46Å; I368-L381 HydrophobicContact CG2-CD1 3.99Å; L381-F383 PolarHBondContact O-N 2.59Å; L381-I384 HydrophobicContact CB-CD1 4.16Å; L381-I384 HydrophobicContact CG-CD1 4.22Å; L381-I384 WeakPolarHBondContact O-CB 3.43Å; L381-I384 WeakPolarHBondContact O-CG1 3.38Å; L381-I384 PolarHBondContact O-N 3.23Å
382	A	94.9	Very high	95.2	Very high	43 Å²	43	64.8 Å²	64.8	36%	0.355	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63.3	-21.8	175.5	0	0	0	0	0	114.5	Y357 R380 I384	Y357-A382 HydrophobicContact CD2-CB 4.29Å; Y357-A382 HydrophobicContact CE2-CB 4.12Å; R380-A382 PolarHBondContact O-N 3.37Å; A382-I384 VanDerWaalsContact C-N 3.33Å
383	F	95.5	Very high	95.3	Very high	92 Å²	92	65.2 Å²	65.2	40%	0.404	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-86.9	-0.7	177.8	-61.4	-67.5	0	0	0	113.9	I331 N332 F379 R380 L381	I331-F383 HydrophobicContact CG1-CB 4.29Å; N332-F383 PolarHBondContact N-O 2.84Å; F379-F383 HydrophobicContact CD1-CD2 4.3Å; R380-F383 HydrophobicContact CB-CD2 3.92Å; R380-F383 HydrophobicContact CB-CE2 3.99Å; R380-F383 HydrophobicContact CG-CE2 4.4Å; R380-F383 PolarHBondContact O-N 3.31Å; L381-F383 PolarHBondContact O-N 2.59Å
384	I	96.9	Very high	95.6	Very high	6 Å²	6	65.3 Å²	65.3	3%	0.031	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-76.8	130.9	175.7	-57.6	169.1	0	0	0	108.9	R308 M311 V329 I368 L381 A382	R308-I384 HydrophobicContact CB-CB 4.27Å; R308-I384 HydrophobicContact CB-CG2 4.34Å; R308-I384 WeakPolarHBondContact CB-O 3.44Å; M311-I384 HydrophobicContact CE-CD1 4.47Å; M311-I384 HydrophobicContact CG-CD1 3.75Å; M311-I384 HydrophobicContact SD-CD1 4.12Å; V329-I384 HydrophobicContact CB-CG2 4.19Å; V329-I384 HydrophobicContact CG1-CD1 4.27Å; V329-I384 HydrophobicContact CG1-CG1 4.45Å; V329-I384 HydrophobicContact CG1-CG2 4.09Å; I368-I384 HydrophobicContact CD1-CD1 3.7Å; I368-I384 HydrophobicContact CD1-CG1 3.98Å; L381-I384 HydrophobicContact CB-CD1 4.16Å; L381-I384 HydrophobicContact CG-CD1 4.22Å; L381-I384 WeakPolarHBondContact O-CB 3.43Å; L381-I384 WeakPolarHBondContact O-CG1 3.38Å; L381-I384 PolarHBondContact O-N 3.23Å; A382-I384 VanDerWaalsContact C-N 3.33Å
385	S	96	Very high	95.7	Very high	18 Å²	18	61.3 Å²	61.3	13%	0.126	32%	0.322	C	S	.	.			trans	-81.2	152.5	174.2	-165.2	0	0	0	0	111.9	R330	R330-S385 PolarHBondContact NH1-OG 2.8Å; R330-S385 WeakPolarHBondContact O-CB 3.41Å; R330-S385 PolarHBondContact O-N 3.45Å
386	N	96.1	Very high	95.7	Very high	49 Å²	49	57.8 Å²	57.8	26%	0.262	31%	0.306	S	S	.	.	S	Bend	trans	-86	-25.1	173.1	-80.2	-42.3	0	0	0	113.1	R305 R308 F309	R305-N386 PolarHBondContact NH1-O 3.32Å; R305-N386 PolarHBondContact NH2-O 3.3Å; R308-N386 WeakPolarHBondContact CA-OD1 3.43Å; R308-N386 WeakPolarHBondContact CB-OD1 3.5Å; R308-N386 PolarHBondContact N-OD1 3.09Å; F309-N386 HydrophobicContact CD2-CB 4.25Å; F309-N386 VanDerWaalsContact CD2-CG 3.42Å; F309-N386 VanDerWaalsContact CD2-OD1 3.29Å; F309-N386 WeakPolarHBondContact CD2-OD1 3.45Å; F309-N386 HydrophobicContact CE2-CB 4.09Å; F309-N386 VanDerWaalsContact CE2-CG 3.46Å; F309-N386 WeakPolarHBondContact CE2-ND2 3.48Å; F309-N386 WeakPolarHBondContact CG-OD1 3.28Å; F309-N386 WeakPolarHBondContact CZ-ND2 3.48Å; F309-N386 PolarHBondContact N-OD1 3.43Å
387	S	95.8	Very high	95.6	Very high	47 Å²	47	52.7 Å²	52.7	33%	0.329	28%	0.282	S	S	.	.	S	Bend	trans	-69.5	163.3	-177.9	80.9	0	0	0	0	112.7	R305 R330	R305-S387 VanDerWaalsContact CZ-O 3.28Å; R305-S387 PolarHBondContact NH1-O 2.9Å; R330-S387 WeakPolarHBondContact CD-OG 3.44Å; R330-S387 PolarHBondContact NH1-OG 3.32Å
388	D	96	Very high	95.5	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-70.1	164.3	168.5	-60.4	-71	0	0	0	112.7	R305 R330	R305-D388 IonicContact CZ-OD1 3.87Å; R305-D388 IonicContact NE-OD1 2.84Å; R305-D388 PolarHBondContact NE-OD1 2.7Å; R305-D388 VanDerWaalsContact NH2-CG 3.3Å; R305-D388 IonicContact NH2-OD1 2.77Å; R305-D388 PolarHBondContact NH2-OD1 2.88Å; R305-D388 IonicContact NH2-OD2 3.06Å; R305-D388 PolarHBondContact NH2-OD2 2.75Å; R330-D388 WeakPolarHBondContact CD-O 3.12Å
389	F	96.5	Very high	95.4	Very high	9 Å²	9	53.7 Å²	53.7	4%	0.039	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-67.5	143.2	177.4	-63.1	-59.2	0	0	0	110.7	V298 L301 R305 F328 R330 C344	V298-F389 HydrophobicContact CG1-CB 3.83Å; L301-F389 HydrophobicContact CD2-CD2 4.34Å; L301-F389 HydrophobicContact CD2-CE2 4.16Å; L301-F389 HydrophobicContact CG-CD2 4.47Å; L301-F389 HydrophobicContact CG-CE2 4.1Å; R305-F389 HydrophobicContact CB-CD2 4.46Å; R305-F389 HydrophobicContact CB-CE2 3.73Å; R305-F389 HydrophobicContact CB-CZ 4.26Å; R305-F389 HydrophobicContact CG-CD2 4.29Å; R305-F389 HydrophobicContact CG-CE2 3.61Å; R305-F389 HydrophobicContact CG-CZ 3.74Å; F328-F389 HydrophobicContact CB-CE2 4.24Å; F328-F389 HydrophobicContact CB-CZ 3.84Å; R330-F389 HydrophobicContact CB-CD1 3.81Å; R330-F389 HydrophobicContact CB-CE1 3.67Å; R330-F389 HydrophobicContact CG-CD1 4.26Å; C344-F389 HydrophobicContact CB-CD1 4.12Å; C344-F389 HydrophobicContact CB-CE1 3.93Å; C344-F389 WeakPolarHBondContact SG-CD1 3.21Å
390	Q	95	Very high	95.3	Very high	102 Å²	102	54.8 Å²	54.8	48%	0.477	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-91.2	154.5	170.1	-58	-59.6	-79.5	0	0	110.5	D392 E393 F394	Q390-D392 VanDerWaalsContact C-N 3.32Å; Q390-D392 PolarHBondContact O-N 3.29Å; Q390-E393 HydrophobicContact CB-CG 4.06Å; Q390-E393 PolarHBondContact N-OE2 3.47Å; Q390-E393 WeakPolarHBondContact O-CB 3.35Å; Q390-E393 PolarHBondContact O-N 3.15Å; Q390-E393 VanDerWaalsContact O-N 3.12Å; Q390-F394 PolarHBondContact O-N 2.95Å; Q390-F394 VanDerWaalsContact O-N 3.12Å
391	Q	95.1	Very high	95.2	Very high	102 Å²	102	50.4 Å²	50.4	48%	0.477	25%	0.253	S	S	.	.	H	α-helix	trans	-56.4	-46.5	177.8	-172.6	65.2	48.5	0	0	111.3	E393 F394 D395	Q391-E393 PolarHBondContact O-N 3.38Å; Q391-F394 WeakPolarHBondContact O-CB 3.28Å; Q391-F394 PolarHBondContact O-N 2.93Å; Q391-F394 VanDerWaalsContact O-N 3.1Å; Q391-D395 PolarHBondContact NE2-OD1 3.24Å; Q391-D395 VanDerWaalsContact O-CG 3.32Å; Q391-D395 PolarHBondContact O-N 3.34Å
392	D	94.2	Very high	95	Very high	128 Å²	128	56 Å²	56	68%	0.684	28%	0.279	S	S	*	.	H	α-helix	trans	-55.9	-37.6	177.5	-59	-28.2	0	0	0	112.9	Q390 S396	Q390-D392 VanDerWaalsContact C-N 3.32Å; Q390-D392 PolarHBondContact O-N 3.29Å; D392-S396 WeakPolarHBondContact O-CB 3.44Å; D392-S396 PolarHBondContact O-N 3.28Å
393	E	95.2	Very high	95	Very high	22 Å²	22	60.1 Å²	60.1	10%	0.103	30%	0.295	C	S	.	.	H	α-helix	trans	-70.9	-41.2	180	-63.9	167.9	-174.3	0	0	111.1	R330 Y342 Q390 Q391 S396 W397	R330-E393 WeakPolarHBondContact CD-OE2 3.32Å; R330-E393 IonicContact CZ-OE1 3.76Å; R330-E393 IonicContact CZ-OE2 2.59Å; R330-E393 VanDerWaalsContact NE-CD 3.31Å; R330-E393 IonicContact NE-OE1 2.7Å; R330-E393 PolarHBondContact NE-OE1 2.97Å; R330-E393 IonicContact NE-OE2 2.83Å; R330-E393 PolarHBondContact NE-OE2 3.45Å; R330-E393 IonicContact NH2-OE1 3.61Å; R330-E393 PolarHBondContact NH2-OE1 3.3Å; Y342-E393 WeakPolarHBondContact CB-OE1 3.43Å; Q390-E393 HydrophobicContact CB-CG 4.06Å; Q390-E393 PolarHBondContact N-OE2 3.47Å; Q390-E393 WeakPolarHBondContact O-CB 3.35Å; Q390-E393 PolarHBondContact O-N 3.15Å; Q390-E393 VanDerWaalsContact O-N 3.12Å; Q391-E393 PolarHBondContact O-N 3.38Å; E393-S396 PolarHBondContact O-N 2.91Å; E393-W397 WeakPolarHBondContact O-CB 3.44Å; E393-W397 PolarHBondContact O-N 3.24Å
394	F	95.3	Very high	94.9	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-46.7	175.6	177.8	-96.6	0	0	0	111.6	V295 S296 V298 L301 Q390 Q391 S396 W397 M398	V295-F394 HydrophobicContact CG1-CE2 3.92Å; V295-F394 HydrophobicContact CG1-CZ 4.11Å; S296-F394 WeakPolarHBondContact O-CE1 3.39Å; V298-F394 HydrophobicContact CB-CG 4.49Å; V298-F394 HydrophobicContact CG2-CB 3.67Å; V298-F394 HydrophobicContact CG2-CD1 3.83Å; V298-F394 HydrophobicContact CG2-CD2 4.29Å; V298-F394 HydrophobicContact CG2-CG 3.68Å; L301-F394 HydrophobicContact CB-CD2 4.4Å; L301-F394 HydrophobicContact CB-CE2 4.2Å; L301-F394 HydrophobicContact CD2-CD2 3.81Å; L301-F394 HydrophobicContact CD2-CE2 4.11Å; Q390-F394 PolarHBondContact O-N 2.95Å; Q390-F394 VanDerWaalsContact O-N 3.12Å; Q391-F394 WeakPolarHBondContact O-CB 3.28Å; Q391-F394 PolarHBondContact O-N 2.93Å; Q391-F394 VanDerWaalsContact O-N 3.1Å; F394-S396 VanDerWaalsContact C-N 3.27Å; F394-S396 PolarHBondContact O-N 3.02Å; F394-W397 AromaticContact CD2-CE3 3.91Å; F394-W397 HydrophobicContact CD2-CE3 3.91Å; F394-W397 HydrophobicContact CD2-CZ3 4.02Å; F394-W397 AromaticContact CE2-CE3 3.96Å; F394-W397 HydrophobicContact CE2-CE3 3.96Å; F394-W397 AromaticContact CE2-CZ3 3.59Å; F394-W397 HydrophobicContact CE2-CZ3 3.59Å; F394-W397 HydrophobicContact CZ-CZ3 4.27Å; F394-W397 CarbonylContact O-C 3.59Å; F394-W397 WeakPolarHBondContact O-CB 3.46Å; F394-W397 PolarHBondContact O-N 2.9Å; F394-W397 VanDerWaalsContact O-N 3.12Å; F394-M398 HydrophobicContact CE1-CE 4.05Å; F394-M398 HydrophobicContact CE2-CE 4.21Å; F394-M398 HydrophobicContact CZ-CE 3.56Å; F394-M398 WeakPolarHBondContact O-CB 3.37Å; F394-M398 PolarHBondContact O-N 3.3Å
395	D	94.9	Very high	94.6	Very high	63 Å²	63	63.1 Å²	63.1	34%	0.337	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-33.3	177.4	-63.5	-16.3	0	0	0	111.5	Q391 R399	Q391-D395 PolarHBondContact NE2-OD1 3.24Å; Q391-D395 VanDerWaalsContact O-CG 3.32Å; Q391-D395 PolarHBondContact O-N 3.34Å; D395-R399 WeakPolarHBondContact O-CB 3.45Å; D395-R399 VanDerWaalsContact O-CG 3.26Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 3.24Å; D395-R399 PolarHBondContact O-NE 3.3Å; D395-R399 VanDerWaalsContact O-NE 3.07Å
396	S	93.5	Very high	94.3	Very high	29 Å²	29	64.9 Å²	64.9	20%	0.203	32%	0.323	C	S	.	.	H	α-helix	trans	-71.5	-32.9	174	-162.6	0	0	0	0	112.2	D392 E393 F394 R400	D392-S396 WeakPolarHBondContact O-CB 3.44Å; D392-S396 PolarHBondContact O-N 3.28Å; E393-S396 PolarHBondContact O-N 2.91Å; F394-S396 VanDerWaalsContact C-N 3.27Å; F394-S396 PolarHBondContact O-N 3.02Å; S396-R400 WeakPolarHBondContact O-CG 3.47Å; S396-R400 PolarHBondContact O-N 3.08Å; S396-R400 PolarHBondContact O-NH1 3.47Å; S396-R400 PolarHBondContact OG-NH1 3.41Å
397	W	95	Very high	93.9	Very high	5 Å²	5	71.1 Å²	71.1	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-73.3	-46.8	172.1	167.9	84.4	0	0	0	111.8	L301 F328 C344 E393 F394 R399 R400 I401 P408	L301-W397 HydrophobicContact CD1-CH2 3.94Å; L301-W397 HydrophobicContact CD1-CZ2 4.27Å; L301-W397 HydrophobicContact CD2-CD2 4.49Å; L301-W397 HydrophobicContact CD2-CE3 4.23Å; L301-W397 HydrophobicContact CD2-CH2 4.21Å; L301-W397 HydrophobicContact CD2-CZ2 4.46Å; L301-W397 HydrophobicContact CD2-CZ3 4.09Å; F328-W397 HydrophobicContact CD1-CZ2 4.28Å; F328-W397 AromaticContact CE1-CE2 3.67Å; F328-W397 HydrophobicContact CE1-CH2 4.37Å; F328-W397 AromaticContact CE1-CZ2 3.35Å; F328-W397 HydrophobicContact CE1-CZ2 3.35Å; F328-W397 AromaticContact CE1-NE1 3.65Å; F328-W397 AromaticContact CZ-CZ2 3.69Å; F328-W397 HydrophobicContact CZ-CZ2 3.69Å; C344-W397 HydrophobicContact CB-CB 3.88Å; C344-W397 HydrophobicContact CB-CD2 4.48Å; C344-W397 HydrophobicContact CB-CG 3.88Å; E393-W397 WeakPolarHBondContact O-CB 3.44Å; E393-W397 PolarHBondContact O-N 3.24Å; F394-W397 AromaticContact CD2-CE3 3.91Å; F394-W397 HydrophobicContact CD2-CE3 3.91Å; F394-W397 HydrophobicContact CD2-CZ3 4.02Å; F394-W397 AromaticContact CE2-CE3 3.96Å; F394-W397 HydrophobicContact CE2-CE3 3.96Å; F394-W397 AromaticContact CE2-CZ3 3.59Å; F394-W397 HydrophobicContact CE2-CZ3 3.59Å; F394-W397 HydrophobicContact CZ-CZ3 4.27Å; F394-W397 CarbonylContact O-C 3.59Å; F394-W397 WeakPolarHBondContact O-CB 3.46Å; F394-W397 PolarHBondContact O-N 2.9Å; F394-W397 VanDerWaalsContact O-N 3.12Å; W397-R399 VanDerWaalsContact C-N 3.35Å; W397-R399 PolarHBondContact O-N 3.33Å; W397-R400 CarbonylContact O-C 3.6Å; W397-R400 WeakPolarHBondContact O-CA 3.38Å; W397-R400 WeakPolarHBondContact O-CB 3.46Å; W397-R400 PolarHBondContact O-N 3.31Å; W397-I401 HydrophobicContact CD2-CD1 3.99Å; W397-I401 HydrophobicContact CE3-CD1 4.48Å; W397-I401 HydrophobicContact CH2-CD1 3.81Å; W397-I401 HydrophobicContact CZ2-CD1 3.2Å; W397-I401 HydrophobicContact CZ2-CG1 4.48Å; W397-I401 HydrophobicContact CZ3-CD1 4.39Å; W397-I401 PolarHBondContact O-N 2.95Å; W397-P408 HydrophobicContact CH2-CB 4.3Å
398	M	93.6	Very high	93.7	Very high	28 Å²	28	69.6 Å²	69.6	14%	0.138	34%	0.337	C	S	.	.	H	α-helix	trans	-59.6	-43.4	178.1	-170.2	60	77.2	0	0	111.3	V295 F394 R400 I401 H402 P408	V295-M398 WeakPolarHBondContact O-CE 3.24Å; F394-M398 HydrophobicContact CE1-CE 4.05Å; F394-M398 HydrophobicContact CE2-CE 4.21Å; F394-M398 HydrophobicContact CZ-CE 3.56Å; F394-M398 WeakPolarHBondContact O-CB 3.37Å; F394-M398 PolarHBondContact O-N 3.3Å; M398-R400 VanDerWaalsContact C-N 3.33Å; M398-R400 PolarHBondContact O-N 2.66Å; M398-I401 PolarHBondContact O-N 3.18Å; M398-H402 PolarHBondContact O-N 2.72Å; M398-H402 PolarHBondContact O-ND1 3.4Å; M398-H402 VanDerWaalsContact SD-CE1 3.53Å; M398-P408 HydrophobicContact CE-CB 4.32Å; M398-P408 HydrophobicContact SD-CB 4.38Å; M398-P408 HydrophobicContact SD-CG 4.39Å
399	R	95	Very high	93.5	Very high	155 Å²	155	66.8 Å²	66.8	59%	0.585	32%	0.323	S	S	*	.	H	α-helix	trans	-58.7	-40.9	171.3	-79	179.7	-71.3	171.4	-7.2	112.7	D395 W397 H402 L403	D395-R399 WeakPolarHBondContact O-CB 3.45Å; D395-R399 VanDerWaalsContact O-CG 3.26Å; D395-R399 WeakPolarHBondContact O-CG 3.46Å; D395-R399 PolarHBondContact O-N 3.24Å; D395-R399 PolarHBondContact O-NE 3.3Å; D395-R399 VanDerWaalsContact O-NE 3.07Å; W397-R399 VanDerWaalsContact C-N 3.35Å; W397-R399 PolarHBondContact O-N 3.33Å; R399-H402 PolarHBondContact O-N 2.76Å; R399-L403 WeakPolarHBondContact O-CB 3.21Å; R399-L403 VanDerWaalsContact O-CG 3.25Å; R399-L403 WeakPolarHBondContact O-CG 3.48Å; R399-L403 PolarHBondContact O-N 2.97Å
400	R	94.1	Very high	93.4	Very high	67 Å²	67	67.9 Å²	67.9	25%	0.253	33%	0.331	S	S	.	.	H	α-helix	trans	-70	-33	177.7	-77.9	-178.5	-174.8	76.5	1.9	113.4	S396 W397 M398 A404	S396-R400 WeakPolarHBondContact O-CG 3.47Å; S396-R400 PolarHBondContact O-N 3.08Å; S396-R400 PolarHBondContact O-NH1 3.47Å; S396-R400 PolarHBondContact OG-NH1 3.41Å; W397-R400 CarbonylContact O-C 3.6Å; W397-R400 WeakPolarHBondContact O-CA 3.38Å; W397-R400 WeakPolarHBondContact O-CB 3.46Å; W397-R400 PolarHBondContact O-N 3.31Å; M398-R400 VanDerWaalsContact C-N 3.33Å; M398-R400 PolarHBondContact O-N 2.66Å; R400-A404 WeakPolarHBondContact O-CB 3.39Å; R400-A404 PolarHBondContact O-N 2.95Å
401	I	93.5	Very high	93.3	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-45.9	173.5	-77.9	-170.5	0	0	0	111	W397 M398 A404 N405 M406	W397-I401 HydrophobicContact CD2-CD1 3.99Å; W397-I401 HydrophobicContact CE3-CD1 4.48Å; W397-I401 HydrophobicContact CH2-CD1 3.81Å; W397-I401 HydrophobicContact CZ2-CD1 3.2Å; W397-I401 HydrophobicContact CZ2-CG1 4.48Å; W397-I401 HydrophobicContact CZ3-CD1 4.39Å; W397-I401 PolarHBondContact O-N 2.95Å; M398-I401 PolarHBondContact O-N 3.18Å; I401-A404 CarbonylContact O-C 3.48Å; I401-A404 WeakPolarHBondContact O-CA 3.3Å; I401-A404 WeakPolarHBondContact O-CB 3.43Å; I401-A404 PolarHBondContact O-N 3.39Å; I401-N405 PolarHBondContact O-N 2.9Å; I401-M406 HydrophobicContact CG1-CE 4.17Å; I401-M406 HydrophobicContact CG2-CB 4.19Å; I401-M406 WeakPolarHBondContact CG2-O 3.24Å; I401-M406 PolarHBondContact O-N 2.88Å; I401-M406 VanDerWaalsContact O-N 3.09Å
402	H	92.7	Very high	93.2	Very high	117 Å²	117	63.1 Å²	63.1	54%	0.542	31%	0.312	S	S	.	.	H	α-helix	trans	-61.6	-45.7	174.4	-70.1	106.4	0	0	0	112.2	M398 R399 A404 N405	M398-H402 PolarHBondContact O-N 2.72Å; M398-H402 PolarHBondContact O-ND1 3.4Å; M398-H402 VanDerWaalsContact SD-CE1 3.53Å; R399-H402 PolarHBondContact O-N 2.76Å; H402-A404 PolarHBondContact O-N 3.25Å; H402-N405 PolarHBondContact O-N 3.41Å; H402-N405 PolarHBondContact O-OD1 2.91Å
403	L	94.5	Very high	93.2	Very high	131 Å²	131	60.9 Å²	60.9	69%	0.686	30%	0.296	S	S	*	.	H	α-helix	trans	-64.3	-20.4	173	-69.8	168.7	0	0	0	113.7	K374 R399 N405	K374-L403 PolarHBondContact NZ-O 3.46Å; R399-L403 WeakPolarHBondContact O-CB 3.21Å; R399-L403 VanDerWaalsContact O-CG 3.25Å; R399-L403 WeakPolarHBondContact O-CG 3.48Å; R399-L403 PolarHBondContact O-N 2.97Å; L403-N405 VanDerWaalsContact C-N 3.35Å
404	A	93.4	Very high	93.2	Very high	11 Å²	11	60 Å²	60	9%	0.091	29%	0.292	C	S	.	.	H	α-helix	trans	-83.2	-10.8	173.8	0	0	0	0	0	113.1	K374 R400 I401 H402 M406	K374-A404 HydrophobicContact CD-CB 4.35Å; K374-A404 HydrophobicContact CG-CB 3.83Å; R400-A404 WeakPolarHBondContact O-CB 3.39Å; R400-A404 PolarHBondContact O-N 2.95Å; I401-A404 CarbonylContact O-C 3.48Å; I401-A404 WeakPolarHBondContact O-CA 3.3Å; I401-A404 WeakPolarHBondContact O-CB 3.43Å; I401-A404 PolarHBondContact O-N 3.39Å; H402-A404 PolarHBondContact O-N 3.25Å; A404-M406 HydrophobicContact CB-CB 4.28Å; A404-M406 HydrophobicContact CB-CE 4Å; A404-M406 HydrophobicContact CB-CG 3.78Å; A404-M406 HydrophobicContact CB-SD 4.31Å; A404-M406 PolarHBondContact O-N 3.28Å
405	N	91.2	Very high	93.2	Very high	150 Å²	150	65.7 Å²	65.7	80%	0.802	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	28.6	-164.3	-62.4	-8.7	0	0	0	112.9	I401 H402 L403	I401-N405 PolarHBondContact O-N 2.9Å; H402-N405 PolarHBondContact O-N 3.41Å; H402-N405 PolarHBondContact O-OD1 2.91Å; L403-N405 VanDerWaalsContact C-N 3.35Å
406	M	89.1	Confident	93.2	Very high	54 Å²	54	67.9 Å²	67.9	27%	0.266	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-92.5	156	173	-63	-168.9	-44.5	0	0	109.7	G373 I401 A404	G373-M406 WeakPolarHBondContact O-CE 3.45Å; I401-M406 HydrophobicContact CG1-CE 4.17Å; I401-M406 HydrophobicContact CG2-CB 4.19Å; I401-M406 WeakPolarHBondContact CG2-O 3.24Å; I401-M406 PolarHBondContact O-N 2.88Å; I401-M406 VanDerWaalsContact O-N 3.09Å; A404-M406 HydrophobicContact CB-CB 4.28Å; A404-M406 HydrophobicContact CB-CE 4Å; A404-M406 HydrophobicContact CB-CG 3.78Å; A404-M406 HydrophobicContact CB-SD 4.31Å; A404-M406 PolarHBondContact O-N 3.28Å
407	K	89	Confident	93.3	Very high	181 Å²	181	67.2 Å²	67.2	79%	0.787	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-92.9	139.4	171.3	-64.2	-177.8	179.4	-176	0	109.5
408	P	91.6	Very high	93.3	Very high	14 Å²	14	68 Å²	68	9%	0.091	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.4	158.1	166.6	29.4	-35.2	0	0	0	110.4	L294 W397 M398	L294-P408 HydrophobicContact CB-CG 4.12Å; L294-P408 HydrophobicContact CD1-CG 4.13Å; W397-P408 HydrophobicContact CH2-CB 4.3Å; M398-P408 HydrophobicContact CE-CB 4.32Å; M398-P408 HydrophobicContact SD-CB 4.38Å; M398-P408 HydrophobicContact SD-CG 4.39Å
409	P	91.5	Very high	93.4	Very high	26 Å²	26	69.2 Å²	69.2	17%	0.169	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-62.2	152.2	178.1	25.5	-33.7	0	0	0	112.1	V295 F328 F413	V295-P409 HydrophobicContact CG2-CG 4.12Å; V295-P409 WeakPolarHBondContact CG2-O 3.48Å; V295-P409 PolarHBondContact N-O 3.5Å; F328-P409 HydrophobicContact CE2-CG 4.17Å; F328-P409 HydrophobicContact CZ-CG 4.25Å; P409-F413 HydrophobicContact CB-CD1 4.05Å
410	T	93.9	Very high	93.3	Very high	32 Å²	32	65.4 Å²	65.4	20%	0.196	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-76	151.9	176.2	63.3	0	0	0	0	111.2	E292 E293 L294 N412 F413 V414	E292-T410 HydrophobicContact CB-CG2 4.04Å; E293-T410 CarbonylContact O-C 3.59Å; E293-T410 WeakPolarHBondContact O-CA 3.39Å; L294-T410 HydrophobicContact CD2-CG2 4.01Å; T410-N412 PolarHBondContact O-N 3.26Å; T410-F413 PolarHBondContact O-N 2.91Å; T410-F413 WeakPolarHBondContact OG1-CB 3.28Å; T410-F413 PolarHBondContact OG1-N 2.88Å; T410-V414 WeakPolarHBondContact O-CG2 3.45Å; T410-V414 PolarHBondContact O-N 3.48Å; T410-V414 VanDerWaalsContact O-N 3.12Å
411	L	92.6	Very high	93.3	Very high	17 Å²	17	62.4 Å²	62.4	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-64.3	-26.8	177.3	-66.5	-172.3	0	0	0	112.8	E293 V295 H300 V414 R415	E293-L411 HydrophobicContact CB-CB 4.27Å; E293-L411 HydrophobicContact CB-CD1 3.7Å; E293-L411 HydrophobicContact CB-CG 4Å; E293-L411 PolarHBondContact O-N 2.82Å; V295-L411 HydrophobicContact CB-CD2 4.44Å; V295-L411 HydrophobicContact CG2-CD2 3.74Å; H300-L411 HydrophobicContact CB-CD2 3.85Å; L411-V414 PolarHBondContact O-N 3.43Å; L411-R415 VanDerWaalsContact O-CG 3.27Å; L411-R415 WeakPolarHBondContact O-CG 3.45Å; L411-R415 PolarHBondContact O-N 3.2Å
412	N	93	Very high	93.3	Very high	86 Å²	86	65.9 Å²	65.9	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-66.5	-49.6	173.2	-67.7	-20.4	0	0	0	110.8	T410 V414 R415 D416	T410-N412 PolarHBondContact O-N 3.26Å; N412-V414 VanDerWaalsContact C-N 3.25Å; N412-V414 PolarHBondContact O-N 3.5Å; N412-R415 WeakPolarHBondContact O-CA 3.42Å; N412-R415 WeakPolarHBondContact O-CB 3.46Å; N412-R415 PolarHBondContact O-N 3.01Å; N412-R415 PolarHBondContact OD1-NH1 3.39Å; N412-R415 VanDerWaalsContact OD1-NH1 3.15Å; N412-D416 VanDerWaalsContact O-CG 3.23Å; N412-D416 PolarHBondContact O-N 3.37Å
413	F	94	Very high	93.2	Very high	82 Å²	82	66.4 Å²	66.4	36%	0.36	34%	0.342	S	S	.	.	H	α-helix	trans	-55.8	-40.2	174.2	179.2	-96.5	0	0	0	112.4	P409 T410 K417	P409-F413 HydrophobicContact CB-CD1 4.05Å; T410-F413 PolarHBondContact O-N 2.91Å; T410-F413 WeakPolarHBondContact OG1-CB 3.28Å; T410-F413 PolarHBondContact OG1-N 2.88Å; F413-K417 HydrophobicContact CE1-CB 4.47Å; F413-K417 HydrophobicContact CZ-CD 4.39Å; F413-K417 WeakPolarHBondContact O-CB 3.26Å; F413-K417 PolarHBondContact O-N 3.35Å
414	V	95.1	Very high	93	Very high	3 Å²	3	61 Å²	61	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-41.5	174.7	174.3	0	0	0	0	112.2	V295 H300 R303 I304 T410 L411 N412 A418	V295-V414 HydrophobicContact CG2-CG2 3.53Å; H300-V414 WeakPolarHBondContact O-CG1 3.45Å; R303-V414 HydrophobicContact CB-CG1 4.24Å; I304-V414 HydrophobicContact CD1-CG2 3.99Å; I304-V414 HydrophobicContact CG2-CG1 4.14Å; I304-V414 WeakPolarHBondContact CG2-O 3.3Å; T410-V414 WeakPolarHBondContact O-CG2 3.45Å; T410-V414 PolarHBondContact O-N 3.48Å; T410-V414 VanDerWaalsContact O-N 3.12Å; L411-V414 PolarHBondContact O-N 3.43Å; N412-V414 VanDerWaalsContact C-N 3.25Å; N412-V414 PolarHBondContact O-N 3.5Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 3.36Å
415	R	95.2	Very high	92.6	Very high	123 Å²	123	64.4 Å²	64.4	46%	0.464	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-48.5	177.7	-72	166.2	-174.3	155	3.5	110.8	E293 L411 N412 A418 A419	E293-R415 IonicContact OE2-NH2 2.72Å; L411-R415 VanDerWaalsContact O-CG 3.27Å; L411-R415 WeakPolarHBondContact O-CG 3.45Å; L411-R415 PolarHBondContact O-N 3.2Å; N412-R415 WeakPolarHBondContact O-CA 3.42Å; N412-R415 WeakPolarHBondContact O-CB 3.46Å; N412-R415 PolarHBondContact O-N 3.01Å; N412-R415 PolarHBondContact OD1-NH1 3.39Å; N412-R415 VanDerWaalsContact OD1-NH1 3.15Å; R415-A418 PolarHBondContact O-N 2.87Å; R415-A419 PolarHBondContact O-N 2.98Å
416	D	95.6	Very high	92.4	Very high	110 Å²	110	63.2 Å²	63.2	59%	0.588	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-46.6	-177.1	-58.8	-24.4	0	0	0	111	N412 A418 A419 E420	N412-D416 VanDerWaalsContact O-CG 3.23Å; N412-D416 PolarHBondContact O-N 3.37Å; D416-A418 VanDerWaalsContact C-N 3.35Å; D416-A418 PolarHBondContact O-N 2.96Å; D416-A419 WeakPolarHBondContact O-CB 3.47Å; D416-A419 PolarHBondContact O-N 3.43Å; D416-E420 PolarHBondContact O-N 2.97Å
417	K	95.5	Very high	92.3	Very high	15 Å²	15	68.6 Å²	68.6	7%	0.065	34%	0.344	C	S	.	.	H	α-helix	trans	-67.6	-33.9	177.3	-162.9	74.7	-166	168.7	0	112.2	I304 D322 L323 K325 C327 F413 E420 I421	I304-K417 HydrophobicContact CG2-CB 3.98Å; I304-K417 HydrophobicContact CG2-CG 4.34Å; D322-K417 PolarHBondContact O-NZ 2.98Å; L323-K417 WeakPolarHBondContact O-CE 3.42Å; L323-K417 PolarHBondContact O-NZ 3.38Å; K325-K417 VanDerWaalsContact O-CE 3.3Å; K325-K417 WeakPolarHBondContact O-CE 3.39Å; C327-K417 VanDerWaalsContact SG-CE 3.59Å; F413-K417 HydrophobicContact CE1-CB 4.47Å; F413-K417 HydrophobicContact CZ-CD 4.39Å; F413-K417 WeakPolarHBondContact O-CB 3.26Å; F413-K417 PolarHBondContact O-N 3.35Å; K417-E420 VanDerWaalsContact CD-OE2 3.28Å; K417-E420 WeakPolarHBondContact CD-OE2 3.27Å; K417-E420 WeakPolarHBondContact CE-OE2 3.19Å; K417-E420 IonicContact NZ-OE1 2.79Å; K417-E420 PolarHBondContact NZ-OE1 3.27Å; K417-E420 IonicContact NZ-OE2 3.89Å; K417-E420 PolarHBondContact NZ-OE2 2.96Å; K417-E420 PolarHBondContact O-N 3.36Å; K417-I421 WeakPolarHBondContact O-CD1 3.47Å; K417-I421 WeakPolarHBondContact O-CG1 3.26Å; K417-I421 PolarHBondContact O-N 3.4Å
418	A	95	Very high	92.1	Very high	21 Å²	21	63.2 Å²	63.2	17%	0.174	33%	0.327	C	S	.	.	H	α-helix	trans	-65.4	-39.9	171.8	0	0	0	0	0	111.8	R303 I304 V414 R415 D416 I421 T422	R303-A418 HydrophobicContact CB-CB 4.32Å; I304-A418 HydrophobicContact CG2-CB 4.21Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 3.36Å; R415-A418 PolarHBondContact O-N 2.87Å; D416-A418 VanDerWaalsContact C-N 3.35Å; D416-A418 PolarHBondContact O-N 2.96Å; A418-I421 PolarHBondContact O-N 3.08Å; A418-T422 WeakPolarHBondContact O-CG2 3.22Å; A418-T422 PolarHBondContact O-N 3.3Å; A418-T422 PolarHBondContact O-OG1 2.85Å
419	A	95.3	Very high	91.8	Very high	53 Å²	53	66.4 Å²	66.4	44%	0.438	34%	0.343	S	S	.	.	H	α-helix	trans	-61.9	-47.9	174.2	0	0	0	0	0	111.3	R415 D416 I421 T422 E423	R415-A419 PolarHBondContact O-N 2.98Å; D416-A419 WeakPolarHBondContact O-CB 3.47Å; D416-A419 PolarHBondContact O-N 3.43Å; A419-I421 VanDerWaalsContact C-N 3.33Å; A419-I421 PolarHBondContact O-N 3.45Å; A419-T422 WeakPolarHBondContact CA-OG1 3.21Å; A419-T422 CarbonylContact O-C 3.47Å; A419-T422 PolarHBondContact O-N 3.35Å; A419-T422 PolarHBondContact O-OG1 2.79Å; A419-E423 PolarHBondContact O-N 3.03Å
420	E	94.4	Very high	91.6	Very high	76 Å²	76	75.5 Å²	75.5	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-55	-45	175.5	-167.7	-164.2	141	0	0	112.1	L323 D416 K417 T422 E423 A424	L323-E420 HydrophobicContact CD1-CG 3.86Å; L323-E420 VanDerWaalsContact CD1-OE1 3.29Å; L323-E420 WeakPolarHBondContact CD1-OE1 3.34Å; D416-E420 PolarHBondContact O-N 2.97Å; K417-E420 VanDerWaalsContact CD-OE2 3.28Å; K417-E420 WeakPolarHBondContact CD-OE2 3.27Å; K417-E420 WeakPolarHBondContact CE-OE2 3.19Å; K417-E420 IonicContact NZ-OE1 2.79Å; K417-E420 PolarHBondContact NZ-OE1 3.27Å; K417-E420 IonicContact NZ-OE2 3.89Å; K417-E420 PolarHBondContact NZ-OE2 2.96Å; K417-E420 PolarHBondContact O-N 3.36Å; E420-T422 PolarHBondContact O-N 3.37Å; E420-E423 PolarHBondContact O-N 3.01Å; E420-A424 WeakPolarHBondContact O-CB 3.2Å; E420-A424 PolarHBondContact O-N 3.16Å
421	I	93.5	Very high	91.4	Very high	4 Å²	4	78 Å²	78	2%	0.021	39%	0.386	C	S	.	.	H	α-helix	trans	-61.1	-42.3	175.1	-67.1	161.4	0	0	0	111.3	L306 W314 L323 K417 A418 A419 I425	L306-I421 HydrophobicContact CD2-CD1 4.05Å; L306-I421 HydrophobicContact CD2-CG1 4.47Å; L306-I421 HydrophobicContact CD2-CG2 4.38Å; W314-I421 HydrophobicContact CH2-CG2 3.88Å; W314-I421 HydrophobicContact CZ3-CG2 4.36Å; L323-I421 HydrophobicContact CD1-CG1 4.22Å; K417-I421 WeakPolarHBondContact O-CD1 3.47Å; K417-I421 WeakPolarHBondContact O-CG1 3.26Å; K417-I421 PolarHBondContact O-N 3.4Å; A418-I421 PolarHBondContact O-N 3.08Å; A419-I421 VanDerWaalsContact C-N 3.33Å; A419-I421 PolarHBondContact O-N 3.45Å; I421-I425 HydrophobicContact CG2-CD1 4.12Å; I421-I425 WeakPolarHBondContact O-CD1 3.3Å; I421-I425 VanDerWaalsContact O-CG1 3.28Å; I421-I425 WeakPolarHBondContact O-CG1 3.44Å; I421-I425 PolarHBondContact O-N 2.99Å; I421-I425 VanDerWaalsContact O-N 3.16Å
422	T	92.2	Very high	91.3	Very high	77 Å²	77	82.9 Å²	82.9	47%	0.472	41%	0.408	S	S	.	.	H	α-helix	trans	-71	-34.7	178.1	57.1	0	0	0	0	113.2	A418 A419 E420 I425 N426	A418-T422 WeakPolarHBondContact O-CG2 3.22Å; A418-T422 PolarHBondContact O-N 3.3Å; A418-T422 PolarHBondContact O-OG1 2.85Å; A419-T422 WeakPolarHBondContact CA-OG1 3.21Å; A419-T422 CarbonylContact O-C 3.47Å; A419-T422 PolarHBondContact O-N 3.35Å; A419-T422 PolarHBondContact O-OG1 2.79Å; E420-T422 PolarHBondContact O-N 3.37Å; T422-I425 PolarHBondContact O-N 3.48Å; T422-N426 WeakPolarHBondContact O-CB 3.29Å; T422-N426 PolarHBondContact O-N 2.92Å; T422-N426 VanDerWaalsContact O-N 3.15Å; T422-N426 PolarHBondContact O-ND2 3.21Å; T422-N426 VanDerWaalsContact O-ND2 3.16Å
423	E	92.5	Very high	91.1	Very high	128 Å²	128	88 Å²	88	60%	0.598	42%	0.421	S	S	*	.	H	α-helix	trans	-64.4	-47.6	173.6	-170.2	-172.5	153.4	0	0	110.5	A419 E420 I425 N426 R427	A419-E423 PolarHBondContact O-N 3.03Å; E420-E423 PolarHBondContact O-N 3.01Å; E423-I425 VanDerWaalsContact C-N 3.26Å; E423-I425 PolarHBondContact O-N 2.8Å; E423-N426 PolarHBondContact O-N 3.42Å; E423-N426 VanDerWaalsContact O-N 3.07Å; E423-R427 VanDerWaalsContact O-CB 3.31Å; E423-R427 WeakPolarHBondContact O-CB 3.33Å; E423-R427 PolarHBondContact O-N 3.09Å
424	A	88.6	Confident	90.9	Very high	18 Å²	18	85.7 Å²	85.7	15%	0.149	41%	0.413	C	S	.	.	H	α-helix	trans	-61.7	-30.1	178.5	0	0	0	0	0	113.7	F319 L323 E420	F319-A424 HydrophobicContact CE2-CB 3.98Å; F319-A424 HydrophobicContact CZ-CB 4.44Å; L323-A424 HydrophobicContact CD1-CB 4.01Å; L323-A424 HydrophobicContact CD2-CB 3.54Å; L323-A424 HydrophobicContact CG-CB 4.44Å; E420-A424 WeakPolarHBondContact O-CB 3.2Å; E420-A424 PolarHBondContact O-N 3.16Å
425	I	85	Confident	90.7	Very high	83 Å²	83	87.8 Å²	87.8	43%	0.426	43%	0.426	S	S	.	.	H	α-helix	trans	-69	-44.7	171.9	-73.2	164.2	0	0	0	111.5	W314 I421 T422 E423	W314-I425 HydrophobicContact CH2-CD1 4.05Å; W314-I425 HydrophobicContact CH2-CG1 3.98Å; W314-I425 HydrophobicContact CZ2-CD1 3.81Å; W314-I425 HydrophobicContact CZ2-CG1 3.4Å; I421-I425 HydrophobicContact CG2-CD1 4.12Å; I421-I425 WeakPolarHBondContact O-CD1 3.3Å; I421-I425 VanDerWaalsContact O-CG1 3.28Å; I421-I425 WeakPolarHBondContact O-CG1 3.44Å; I421-I425 PolarHBondContact O-N 2.99Å; I421-I425 VanDerWaalsContact O-N 3.16Å; T422-I425 PolarHBondContact O-N 3.48Å; E423-I425 VanDerWaalsContact C-N 3.26Å; E423-I425 PolarHBondContact O-N 2.8Å
426	N	87.9	Confident	90.5	Very high	125 Å²	125	86.4 Å²	86.4	67%	0.668	43%	0.425	S	S	*	.	H	α-helix	trans	-86.9	-15.6	-170.9	-67.6	-28.2	0	0	0	113.2	T422 E423 P428	T422-N426 WeakPolarHBondContact O-CB 3.29Å; T422-N426 PolarHBondContact O-N 2.92Å; T422-N426 VanDerWaalsContact O-N 3.15Å; T422-N426 PolarHBondContact O-ND2 3.21Å; T422-N426 VanDerWaalsContact O-ND2 3.16Å; E423-N426 PolarHBondContact O-N 3.42Å; E423-N426 VanDerWaalsContact O-N 3.07Å; N426-P428 WeakPolarHBondContact O-CD 3.48Å
427	R	86.7	Confident	90.3	Very high	166 Å²	166	85.6 Å²	85.6	63%	0.626	42%	0.418	S	S	*	.			trans	-67.8	111.1	-179.2	-178.7	172.5	176.8	172.2	-1.5	111	E423	E423-R427 VanDerWaalsContact O-CB 3.31Å; E423-R427 WeakPolarHBondContact O-CB 3.33Å; E423-R427 PolarHBondContact O-N 3.09Å
428	P	84.7	Confident	90.1	Very high	68 Å²	68	85.6 Å²	85.6	44%	0.442	42%	0.418	S	S	.	.			trans	-70.5	136.3	174.6	30.8	-34.3	0	0	0	109.9	N426 R430	N426-P428 WeakPolarHBondContact O-CD 3.48Å; P428-R430 HydrophobicContact CB-CG 4.49Å; P428-R430 HydrophobicContact CG-CG 4.38Å; P428-R430 VanDerWaalsContact CG-CZ 3.47Å; P428-R430 PolarHBondContact O-N 3.46Å
429	I	86.7	Confident	89.8	Confident	82 Å²	82	88.1 Å²	88.1	42%	0.421	43%	0.428	S	S	.	.			trans	-75.2	108.7	172.6	-48.8	165.9	0	0	0	107	M317 V434 V435 I438	M317-I429 HydrophobicContact CE-CD1 3.59Å; M317-I429 HydrophobicContact CE-CG1 3.91Å; M317-I429 HydrophobicContact SD-CD1 4.02Å; I429-V434 HydrophobicContact CG2-CB 4.09Å; I429-V434 HydrophobicContact CG2-CG1 3.72Å; I429-V435 HydrophobicContact CG2-CG2 3.62Å; I429-I438 HydrophobicContact CD1-CD1 3.79Å
430	R	85.7	Confident	89.5	Confident	217 Å²	217	91.6 Å²	91.6	82%	0.819	44%	0.435	S	S	*	.			trans	-110.7	-15.7	178.3	-61.8	-171	-177.3	104.3	-4.4	113.9	P428	P428-R430 HydrophobicContact CB-CG 4.49Å; P428-R430 HydrophobicContact CG-CG 4.38Å; P428-R430 VanDerWaalsContact CG-CZ 3.47Å; P428-R430 PolarHBondContact O-N 3.46Å
431	D	89.8	Confident	89.3	Confident	83 Å²	83	89.9 Å²	89.9	44%	0.444	43%	0.432	S	S	.	.			trans	-90	119.2	-177	-177.2	2	0	0	0	109.5	R433 V434 V435	D431-R433 PolarHBondContact O-N 2.83Å; D431-R433 PolarHBondContact OD1-N 3.48Å; D431-R433 VanDerWaalsContact OD1-N 3.1Å; D431-V434 HydrophobicContact CB-CB 4.31Å; D431-V434 HydrophobicContact CB-CG2 4.02Å; D431-V434 WeakPolarHBondContact O-CB 3.45Å; D431-V434 PolarHBondContact O-N 3.46Å; D431-V434 VanDerWaalsContact O-N 3.13Å; D431-V435 PolarHBondContact O-N 3.32Å
432	E	90.4	Very high	89.2	Confident	120 Å²	120	94.5 Å²	94.5	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-57.6	-38.1	179.7	-170.2	58.4	-145	0	0	111.2	V434 V435 E436	E432-V434 PolarHBondContact O-N 2.78Å; E432-V435 CarbonylContact O-C 3.57Å; E432-V435 WeakPolarHBondContact O-CA 3.19Å; E432-V435 WeakPolarHBondContact O-CB 3.44Å; E432-V435 PolarHBondContact O-N 3.15Å; E432-E436 HydrophobicContact CG-CG 4.38Å; E432-E436 WeakPolarHBondContact O-CG 3.3Å; E432-E436 PolarHBondContact O-N 2.97Å
433	R	89.7	Confident	88.9	Confident	193 Å²	193	98.4 Å²	98.4	73%	0.728	46%	0.458	S	S	*	.	H	α-helix	trans	-61.5	-35.5	179.8	-63.3	177.9	176	-175.9	-0.8	112.2	D431 Q437	D431-R433 PolarHBondContact O-N 2.83Å; D431-R433 PolarHBondContact OD1-N 3.48Å; D431-R433 VanDerWaalsContact OD1-N 3.1Å; R433-Q437 WeakPolarHBondContact O-CB 3.47Å; R433-Q437 PolarHBondContact O-N 2.93Å
434	V	89.8	Confident	88.7	Confident	34 Å²	34	99.2 Å²	99.2	21%	0.206	46%	0.455	C	S	.	.	H	α-helix	trans	-70.6	-39.2	175.2	174	0	0	0	0	110.4	P318 I429 D431 E432 Q437 I438	P318-V434 HydrophobicContact CG-CG1 3.93Å; I429-V434 HydrophobicContact CG2-CB 4.09Å; I429-V434 HydrophobicContact CG2-CG1 3.72Å; D431-V434 HydrophobicContact CB-CB 4.31Å; D431-V434 HydrophobicContact CB-CG2 4.02Å; D431-V434 WeakPolarHBondContact O-CB 3.45Å; D431-V434 PolarHBondContact O-N 3.46Å; D431-V434 VanDerWaalsContact O-N 3.13Å; E432-V434 PolarHBondContact O-N 2.78Å; V434-Q437 PolarHBondContact O-N 2.87Å; V434-I438 HydrophobicContact CG1-CD1 3.84Å; V434-I438 VanDerWaalsContact O-CD1 3.29Å; V434-I438 WeakPolarHBondContact O-CD1 3.42Å; V434-I438 WeakPolarHBondContact O-CG1 3.4Å; V434-I438 PolarHBondContact O-N 3.34Å
435	V	91.4	Very high	88.6	Confident	47 Å²	47	99.2 Å²	99.2	29%	0.285	45%	0.452	S	S	.	.	H	α-helix	trans	-63.9	-47.3	175	179.2	0	0	0	0	110.8	I429 D431 E432 Q437 I438 I439	I429-V435 HydrophobicContact CG2-CG2 3.62Å; D431-V435 PolarHBondContact O-N 3.32Å; E432-V435 CarbonylContact O-C 3.57Å; E432-V435 WeakPolarHBondContact O-CA 3.19Å; E432-V435 WeakPolarHBondContact O-CB 3.44Å; E432-V435 PolarHBondContact O-N 3.15Å; V435-Q437 PolarHBondContact O-N 3.4Å; V435-I438 PolarHBondContact O-N 3.04Å; V435-I439 HydrophobicContact CG1-CD1 3.81Å; V435-I439 HydrophobicContact CG1-CG1 4.45Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.44Å; V435-I439 PolarHBondContact O-N 3.48Å
436	E	90.8	Very high	88.4	Confident	95 Å²	95	100 Å²	100	44%	0.444	45%	0.454	S	S	.	.	H	α-helix	trans	-55.9	-48.2	173.9	-71.4	178	157.3	0	0	111.6	E432 I438 I439 Q440	E432-E436 HydrophobicContact CG-CG 4.38Å; E432-E436 WeakPolarHBondContact O-CG 3.3Å; E432-E436 PolarHBondContact O-N 2.97Å; E436-I438 VanDerWaalsContact C-N 3.33Å; E436-I438 PolarHBondContact O-N 2.9Å; E436-I439 PolarHBondContact O-N 3.44Å; E436-I439 VanDerWaalsContact O-N 3.12Å; E436-Q440 WeakPolarHBondContact O-CB 3.32Å; E436-Q440 VanDerWaalsContact O-CG 3.3Å; E436-Q440 WeakPolarHBondContact O-CG 3.29Å; E436-Q440 PolarHBondContact O-N 3.29Å
437	Q	90.5	Very high	87.8	Confident	93 Å²	93	101.9 Å²	101.9	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-61.2	-39.3	177.8	-170.1	-179.4	15.6	0	0	112.3	R433 V434 V435 S441	R433-Q437 WeakPolarHBondContact O-CB 3.47Å; R433-Q437 PolarHBondContact O-N 2.93Å; V434-Q437 PolarHBondContact O-N 2.87Å; V435-Q437 PolarHBondContact O-N 3.4Å; Q437-S441 VanDerWaalsContact O-CB 3.24Å; Q437-S441 WeakPolarHBondContact O-CB 3.41Å; Q437-S441 PolarHBondContact O-N 3.12Å; Q437-S441 PolarHBondContact O-OG 2.96Å
438	I	91	Very high	87.1	Confident	15 Å²	15	96.1 Å²	96.1	8%	0.077	44%	0.444	C	S	.	.	H	α-helix	trans	-65.6	-41.6	173.9	-68.2	159.4	0	0	0	110.7	H316 M317 I429 V434 V435 E436 S441 K442	H316-I438 HydrophobicContact CB-CG2 4.45Å; H316-I438 WeakPolarHBondContact O-CG1 3.48Å; M317-I438 HydrophobicContact CE-CD1 3.96Å; M317-I438 HydrophobicContact SD-CD1 3.54Å; M317-I438 VanDerWaalsContact SD-CD1 3.54Å; M317-I438 HydrophobicContact SD-CG1 4.14Å; I429-I438 HydrophobicContact CD1-CD1 3.79Å; V434-I438 HydrophobicContact CG1-CD1 3.84Å; V434-I438 VanDerWaalsContact O-CD1 3.29Å; V434-I438 WeakPolarHBondContact O-CD1 3.42Å; V434-I438 WeakPolarHBondContact O-CG1 3.4Å; V434-I438 PolarHBondContact O-N 3.34Å; V435-I438 PolarHBondContact O-N 3.04Å; E436-I438 VanDerWaalsContact C-N 3.33Å; E436-I438 PolarHBondContact O-N 2.9Å; I438-S441 PolarHBondContact O-N 2.76Å; I438-K442 HydrophobicContact CG2-CD 4.09Å; I438-K442 WeakPolarHBondContact O-CB 3.28Å; I438-K442 WeakPolarHBondContact O-CG 3.39Å; I438-K442 PolarHBondContact O-N 3.09Å
439	I	89.5	Confident	86.7	Confident	73 Å²	73	94.8 Å²	94.8	37%	0.374	44%	0.435	S	S	.	.	H	α-helix	trans	-65	-47.1	178	-70.1	167	0	0	0	110.5	V435 E436 K442 R443	V435-I439 HydrophobicContact CG1-CD1 3.81Å; V435-I439 HydrophobicContact CG1-CG1 4.45Å; V435-I439 VanDerWaalsContact O-CG1 3.3Å; V435-I439 WeakPolarHBondContact O-CG1 3.44Å; V435-I439 PolarHBondContact O-N 3.48Å; E436-I439 PolarHBondContact O-N 3.44Å; E436-I439 VanDerWaalsContact O-N 3.12Å; I439-K442 PolarHBondContact O-N 3.27Å; I439-R443 HydrophobicContact CG2-CG 4.29Å; I439-R443 WeakPolarHBondContact O-CB 3.39Å; I439-R443 VanDerWaalsContact O-CG 3.32Å; I439-R443 WeakPolarHBondContact O-CG 3.49Å; I439-R443 PolarHBondContact O-N 2.87Å
440	Q	89.2	Confident	85.9	Confident	127 Å²	127	97 Å²	97	59%	0.593	45%	0.453	S	S	*	.	H	α-helix	trans	-59	-47.3	175.4	-69.7	172.4	17.3	0	0	111	E436 K442 R443 R444	E436-Q440 WeakPolarHBondContact O-CB 3.32Å; E436-Q440 VanDerWaalsContact O-CG 3.3Å; E436-Q440 WeakPolarHBondContact O-CG 3.29Å; E436-Q440 PolarHBondContact O-N 3.29Å; Q440-K442 VanDerWaalsContact C-N 3.3Å; Q440-K442 PolarHBondContact O-N 2.81Å; Q440-R443 PolarHBondContact O-N 3.4Å; Q440-R444 PolarHBondContact O-N 3.35Å
441	S	89.6	Confident	85.8	Confident	40 Å²	40	90.1 Å²	90.1	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-60.6	-36.4	177.4	-61.9	0	0	0	0	113	Q437 I438 F445	Q437-S441 VanDerWaalsContact O-CB 3.24Å; Q437-S441 WeakPolarHBondContact O-CB 3.41Å; Q437-S441 PolarHBondContact O-N 3.12Å; Q437-S441 PolarHBondContact O-OG 2.96Å; I438-S441 PolarHBondContact O-N 2.76Å; S441-F445 WeakPolarHBondContact O-CD2 3.38Å; S441-F445 VanDerWaalsContact O-CE2 3.31Å; S441-F445 WeakPolarHBondContact O-CE2 3.41Å
442	K	90.9	Very high	85.6	Confident	100 Å²	100	88 Å²	88	44%	0.435	42%	0.419	S	S	.	.	H	α-helix	trans	-72.9	-43.4	173.4	-75.7	174.4	179	179.3	0	112	H316 I438 I439 Q440 R444 F445	H316-K442 HydrophobicContact CB-CG 4.13Å; I438-K442 HydrophobicContact CG2-CD 4.09Å; I438-K442 WeakPolarHBondContact O-CB 3.28Å; I438-K442 WeakPolarHBondContact O-CG 3.39Å; I438-K442 PolarHBondContact O-N 3.09Å; I439-K442 PolarHBondContact O-N 3.27Å; Q440-K442 VanDerWaalsContact C-N 3.3Å; Q440-K442 PolarHBondContact O-N 2.81Å; K442-R444 VanDerWaalsContact C-N 3.31Å; K442-R444 PolarHBondContact O-N 2.67Å; K442-F445 PolarHBondContact O-N 2.72Å
443	R	87.3	Confident	85.5	Confident	160 Å²	160	85.6 Å²	85.6	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-58.9	-39.4	179.1	-78	179.2	-179.6	-164.6	0.5	111.8	I439 Q440 F445 Q446	I439-R443 HydrophobicContact CG2-CG 4.29Å; I439-R443 WeakPolarHBondContact O-CB 3.39Å; I439-R443 VanDerWaalsContact O-CG 3.32Å; I439-R443 WeakPolarHBondContact O-CG 3.49Å; I439-R443 PolarHBondContact O-N 2.87Å; Q440-R443 PolarHBondContact O-N 3.4Å; R443-F445 PolarHBondContact O-N 3.24Å; R443-Q446 PolarHBondContact O-N 3.14Å
444	R	88.2	Confident	85.5	Confident	144 Å²	144	82.1 Å²	82.1	54%	0.543	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-27.4	176.6	-175.1	179.3	176.3	-154.3	-1.8	114.4	E352 Q440 K442	E352-R444 VanDerWaalsContact CD-NH1 3.34Å; E352-R444 IonicContact OE1-CZ 2.75Å; E352-R444 IonicContact OE1-NH1 3.79Å; E352-R444 PolarHBondContact OE1-NH1 3.47Å; E352-R444 IonicContact OE1-NH2 3.49Å; E352-R444 IonicContact OE2-CZ 2.88Å; E352-R444 IonicContact OE2-NH1 2.66Å; E352-R444 PolarHBondContact OE2-NH1 3.45Å; E352-R444 IonicContact OE2-NH2 3.6Å; E352-R444 PolarHBondContact OE2-NH2 2.97Å; Q440-R444 PolarHBondContact O-N 3.35Å; K442-R444 VanDerWaalsContact C-N 3.31Å; K442-R444 PolarHBondContact O-N 2.67Å
445	F	85.6	Confident	85.4	Confident	19 Å²	19	83.5 Å²	83.5	8%	0.083	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	4.9	-176.7	-49.8	-69.1	0	0	0	114.7	H316 I356 R363 N365 S441 K442 R443	H316-F445 AromaticContact CE1-CD2 3.78Å; I356-F445 HydrophobicContact CD1-CD1 3.94Å; I356-F445 HydrophobicContact CD1-CE1 4.44Å; I356-F445 HydrophobicContact CG1-CD1 3.87Å; I356-F445 HydrophobicContact CG1-CE1 4.12Å; I356-F445 HydrophobicContact CG2-CB 4.47Å; I356-F445 HydrophobicContact CG2-CD1 3.91Å; R363-F445 HydrophobicContact CB-CB 3.6Å; R363-F445 HydrophobicContact CB-CG 4.45Å; R363-F445 VanDerWaalsContact CD-O 3.23Å; R363-F445 WeakPolarHBondContact CD-O 3.46Å; R363-F445 WeakPolarHBondContact O-CD2 3.45Å; N365-F445 HydrophobicContact CB-CE1 3.95Å; N365-F445 HydrophobicContact CB-CZ 4.42Å; N365-F445 WeakPolarHBondContact OD1-CZ 3.38Å; S441-F445 WeakPolarHBondContact O-CD2 3.38Å; S441-F445 VanDerWaalsContact O-CE2 3.31Å; S441-F445 WeakPolarHBondContact O-CE2 3.41Å; K442-F445 PolarHBondContact O-N 2.72Å; R443-F445 PolarHBondContact O-N 3.24Å
446	Q	81.8	Confident	85.4	Confident	99 Å²	99	84.8 Å²	84.8	46%	0.463	42%	0.418	S	S	.	.			trans	-78.8	133	173.3	-64.1	-162.8	13.6	0	0	110.5	R443	R443-Q446 PolarHBondContact O-N 3.14Å
447	K	74.2	Confident	85.5	Confident	165 Å²	165	82.9 Å²	82.9	72%	0.717	42%	0.419	S	S	*	.	S	Bend	trans	-81	-19.9	-179.3	-73.3	178.3	-176.5	165.1	0	113.6
448	A	72	Confident	85.7	Confident	44 Å²	44	82.1 Å²	82.1	36%	0.364	42%	0.416	S	S	.	.	S	Bend	trans	-163.8	154.4	-178.4	0	0	0	0	0	108.6	T450 F452	A448-T450 PolarHBondContact O-N 3.39Å; A448-F452 HydrophobicContact CB-CZ 4.12Å
449	P	76.2	Confident	85.8	Confident	41 Å²	41	81.4 Å²	81.4	27%	0.266	41%	0.412	S	S	.	.			trans	-61.2	131.2	172.2	26.1	-33.9	0	0	0	110.4	N451 F452 R455	P449-N451 PolarHBondContact O-N 3.31Å; P449-F452 HydrophobicContact CG-CD1 3.95Å; P449-F452 HydrophobicContact CG-CE1 3.9Å; P449-F452 HydrophobicContact CG-CZ 4.48Å; P449-R455 HydrophobicContact CB-CB 4.27Å
450	T	69.9	Low	86.1	Confident	129 Å²	129	81.6 Å²	81.6	79%	0.791	41%	0.413	S	S	*	.	S	Bend	trans	-63.7	-27	-179.8	54.5	0	0	0	0	113	A448	A448-T450 PolarHBondContact O-N 3.39Å
451	N	83.4	Confident	86.4	Confident	71 Å²	71	83 Å²	83	38%	0.38	42%	0.417	S	S	.	.			trans	-131.3	94.8	177.5	-170.8	-27.3	0	0	0	110.5	P449 A453 L454 R455	P449-N451 PolarHBondContact O-N 3.31Å; N451-A453 PolarHBondContact O-N 3.27Å; N451-A453 WeakPolarHBondContact OD1-CB 3.49Å; N451-A453 PolarHBondContact OD1-N 3.16Å; N451-A453 VanDerWaalsContact OD1-N 3.07Å; N451-L454 HydrophobicContact CB-CB 4.19Å; N451-L454 HydrophobicContact CB-CD1 4.1Å; N451-L454 HydrophobicContact CB-CG 4.3Å; N451-L454 WeakPolarHBondContact ND2-CD1 3.39Å; N451-L454 WeakPolarHBondContact ND2-CG 3.33Å; N451-L454 PolarHBondContact O-N 3.22Å; N451-L454 PolarHBondContact OD1-N 3.49Å; N451-R455 PolarHBondContact O-N 2.82Å
452	F	85.6	Confident	86.7	Confident	39 Å²	39	84.9 Å²	84.9	17%	0.171	42%	0.421	C	S	.	.	H	α-helix	trans	-56.7	-35	176.3	-62.8	-88.8	0	0	0	112.7	A448 P449 K456 I485 Q488 A489 I492	A448-F452 HydrophobicContact CB-CZ 4.12Å; P449-F452 HydrophobicContact CG-CD1 3.95Å; P449-F452 HydrophobicContact CG-CE1 3.9Å; P449-F452 HydrophobicContact CG-CZ 4.48Å; F452-K456 WeakPolarHBondContact O-CB 3.23Å; F452-K456 PolarHBondContact O-N 3.31Å; F452-I485 HydrophobicContact CB-CG2 4.39Å; F452-I485 HydrophobicContact CD1-CG2 4.23Å; F452-Q488 HydrophobicContact CE1-CB 3.93Å; F452-A489 HydrophobicContact CB-CB 4.04Å; F452-A489 HydrophobicContact CD1-CB 4Å; F452-A489 HydrophobicContact CG-CB 3.95Å; F452-I492 HydrophobicContact CE1-CD1 4.28Å; F452-I492 HydrophobicContact CE2-CD1 3.63Å; F452-I492 HydrophobicContact CZ-CD1 3.35Å
453	A	88.6	Confident	86.9	Confident	70 Å²	70	83.4 Å²	83.4	58%	0.579	41%	0.413	S	S	*	.	H	α-helix	trans	-70	-39.7	-179.4	0	0	0	0	0	112.3	N451 A457	N451-A453 PolarHBondContact O-N 3.27Å; N451-A453 WeakPolarHBondContact OD1-CB 3.49Å; N451-A453 PolarHBondContact OD1-N 3.16Å; N451-A453 VanDerWaalsContact OD1-N 3.07Å; A453-A457 WeakPolarHBondContact O-CB 3.38Å; A453-A457 PolarHBondContact O-N 2.7Å
454	L	89.2	Confident	87.3	Confident	120 Å²	120	81.7 Å²	81.7	63%	0.628	41%	0.412	S	S	*	.	H	α-helix	trans	-66.9	-44.4	174.4	-75.3	176.7	0	0	0	111.9	N451 A457 E458	N451-L454 HydrophobicContact CB-CB 4.19Å; N451-L454 HydrophobicContact CB-CD1 4.1Å; N451-L454 HydrophobicContact CB-CG 4.3Å; N451-L454 WeakPolarHBondContact ND2-CD1 3.39Å; N451-L454 WeakPolarHBondContact ND2-CG 3.33Å; N451-L454 PolarHBondContact O-N 3.22Å; N451-L454 PolarHBondContact OD1-N 3.49Å; L454-A457 PolarHBondContact O-N 3.16Å; L454-E458 PolarHBondContact O-N 2.83Å
455	R	88.1	Confident	87.6	Confident	63 Å²	63	79.9 Å²	79.9	24%	0.238	41%	0.409	C	S	.	.	H	α-helix	trans	-65.7	-40.3	177.4	-175.4	62.6	-179.4	169.7	4.9	111.6	P449 N451 A457 E458 L459 E481 I485	P449-R455 HydrophobicContact CB-CB 4.27Å; N451-R455 PolarHBondContact O-N 2.82Å; R455-A457 VanDerWaalsContact C-N 3.35Å; R455-A457 PolarHBondContact O-N 2.93Å; R455-E458 VanDerWaalsContact CD-OE2 3.26Å; R455-E458 WeakPolarHBondContact CD-OE2 3.46Å; R455-E458 IonicContact CZ-OE2 2.88Å; R455-E458 IonicContact NE-OE2 2.93Å; R455-E458 IonicContact NH1-OE1 2.88Å; R455-E458 PolarHBondContact NH1-OE1 3.28Å; R455-E458 VanDerWaalsContact NH1-OE1 3.16Å; R455-E458 IonicContact NH1-OE2 2.71Å; R455-E458 PolarHBondContact NH1-OE2 3.4Å; R455-E458 WeakPolarHBondContact O-CB 3.46Å; R455-E458 PolarHBondContact O-N 2.69Å; R455-L459 HydrophobicContact CG-CD1 4.36Å; R455-L459 WeakPolarHBondContact O-CG 3.31Å; R455-L459 PolarHBondContact O-N 3.46Å; R455-E481 IonicContact CZ-OE1 3.01Å; R455-E481 IonicContact NE-OE1 3.25Å; R455-E481 PolarHBondContact NE-OE1 3.05Å; R455-E481 VanDerWaalsContact NE-OE1 3.15Å; R455-E481 IonicContact NH2-OE1 2.77Å; R455-E481 PolarHBondContact NH2-OE1 2.89Å; R455-E481 IonicContact NH2-OE2 2.71Å; R455-I485 HydrophobicContact CB-CD1 4.28Å; R455-I485 HydrophobicContact CG-CD1 3.4Å
456	K	92.3	Very high	88	Confident	73 Å²	73	79 Å²	79	32%	0.317	41%	0.406	S	S	.	.	H	α-helix	trans	-59.2	-43.5	171.7	175.8	173.6	169.5	175.6	0	111.8	F452 L459 I460 I485 E486	F452-K456 WeakPolarHBondContact O-CB 3.23Å; F452-K456 PolarHBondContact O-N 3.31Å; K456-L459 PolarHBondContact O-N 3.04Å; K456-I460 HydrophobicContact CD-CD1 4.38Å; K456-I460 HydrophobicContact CG-CD1 3.73Å; K456-I460 HydrophobicContact CG-CG1 4.38Å; K456-I460 WeakPolarHBondContact O-CB 3.36Å; K456-I460 VanDerWaalsContact O-CG1 3.24Å; K456-I460 WeakPolarHBondContact O-CG1 3.36Å; K456-I460 PolarHBondContact O-N 2.97Å; K456-I485 HydrophobicContact CB-CG2 4.27Å; K456-E486 HydrophobicContact CD-CG 4.21Å; K456-E486 WeakPolarHBondContact CE-OE1 3.38Å; K456-E486 IonicContact NZ-OE1 2.7Å; K456-E486 PolarHBondContact NZ-OE1 3.27Å
457	A	93.5	Very high	88.7	Confident	56 Å²	56	79.5 Å²	79.5	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-38.1	176.9	0	0	0	0	0	112.8	A453 L454 R455 K461	A453-A457 WeakPolarHBondContact O-CB 3.38Å; A453-A457 PolarHBondContact O-N 2.7Å; L454-A457 PolarHBondContact O-N 3.16Å; R455-A457 VanDerWaalsContact C-N 3.35Å; R455-A457 PolarHBondContact O-N 2.93Å; A457-K461 PolarHBondContact O-N 3.27Å; A457-K461 VanDerWaalsContact O-N 3.08Å
458	E	93.6	Very high	89.6	Confident	77 Å²	77	76.9 Å²	76.9	36%	0.36	41%	0.406	S	S	.	.	H	α-helix	trans	-60.9	-47.1	173.4	-173	-173.6	-176.7	0	0	111.4	L454 R455 K461 Q462	L454-E458 PolarHBondContact O-N 2.83Å; R455-E458 VanDerWaalsContact CD-OE2 3.26Å; R455-E458 WeakPolarHBondContact CD-OE2 3.46Å; R455-E458 IonicContact CZ-OE2 2.88Å; R455-E458 IonicContact NE-OE2 2.93Å; R455-E458 IonicContact NH1-OE1 2.88Å; R455-E458 PolarHBondContact NH1-OE1 3.28Å; R455-E458 VanDerWaalsContact NH1-OE1 3.16Å; R455-E458 IonicContact NH1-OE2 2.71Å; R455-E458 PolarHBondContact NH1-OE2 3.4Å; R455-E458 WeakPolarHBondContact O-CB 3.46Å; R455-E458 PolarHBondContact O-N 2.69Å; E458-K461 PolarHBondContact O-N 2.9Å; E458-Q462 WeakPolarHBondContact O-CG 3.46Å; E458-Q462 PolarHBondContact O-N 3.44Å
459	L	93.8	Very high	90.7	Very high	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-68.4	-39.2	178.4	-67.8	173.3	0	0	0	113.1	R455 K456 K461 Q462 R463 L478 E481 I482 I485	R455-L459 HydrophobicContact CG-CD1 4.36Å; R455-L459 WeakPolarHBondContact O-CG 3.31Å; R455-L459 PolarHBondContact O-N 3.46Å; K456-L459 PolarHBondContact O-N 3.04Å; L459-K461 VanDerWaalsContact C-N 3.28Å; L459-K461 PolarHBondContact O-N 3.11Å; L459-Q462 PolarHBondContact O-N 3.34Å; L459-R463 VanDerWaalsContact O-CB 3.27Å; L459-R463 WeakPolarHBondContact O-CB 3.49Å; L459-R463 PolarHBondContact O-N 3.38Å; L459-L478 HydrophobicContact CD2-CD2 3.68Å; L459-E481 HydrophobicContact CD1-CB 3.97Å; L459-E481 HydrophobicContact CD1-CG 3.72Å; L459-E481 HydrophobicContact CD2-CB 4.47Å; L459-E481 HydrophobicContact CD2-CG 4.36Å; L459-E481 WeakPolarHBondContact CD2-OE2 3.48Å; L459-I482 HydrophobicContact CB-CD1 4.08Å; L459-I482 HydrophobicContact CB-CG1 3.61Å; L459-I482 HydrophobicContact CD1-CG1 4.08Å; L459-I485 HydrophobicContact CD1-CD1 3.44Å; L459-I485 VanDerWaalsContact CD1-CD1 3.44Å
460	I	95.1	Very high	91.5	Very high	77 Å²	77	79.7 Å²	79.7	40%	0.395	43%	0.425	S	S	.	.	H	α-helix	trans	-59.5	-41.8	173.8	-72.7	167.4	0	0	0	110.5	K456 R463 E464 I482	K456-I460 HydrophobicContact CD-CD1 4.38Å; K456-I460 HydrophobicContact CG-CD1 3.73Å; K456-I460 HydrophobicContact CG-CG1 4.38Å; K456-I460 WeakPolarHBondContact O-CB 3.36Å; K456-I460 VanDerWaalsContact O-CG1 3.24Å; K456-I460 WeakPolarHBondContact O-CG1 3.36Å; K456-I460 PolarHBondContact O-N 2.97Å; I460-R463 WeakPolarHBondContact O-CB 3.43Å; I460-R463 PolarHBondContact O-N 2.97Å; I460-E464 PolarHBondContact O-N 3.22Å; I460-I482 HydrophobicContact CG1-CD1 4.15Å
461	K	96.1	Very high	92.7	Very high	157 Å²	157	77.8 Å²	77.8	68%	0.683	41%	0.409	S	S	*	.	H	α-helix	trans	-65	-42.5	175.5	-173.1	-172.8	176.5	-171.4	0	112.1	A457 E458 L459 R463 E464 Q465	A457-K461 PolarHBondContact O-N 3.27Å; A457-K461 VanDerWaalsContact O-N 3.08Å; E458-K461 PolarHBondContact O-N 2.9Å; L459-K461 VanDerWaalsContact C-N 3.28Å; L459-K461 PolarHBondContact O-N 3.11Å; K461-R463 VanDerWaalsContact C-N 3.28Å; K461-R463 PolarHBondContact O-N 3.48Å; K461-E464 PolarHBondContact O-N 3.12Å; K461-Q465 PolarHBondContact O-N 3.2Å; K461-Q465 VanDerWaalsContact O-N 3.09Å
462	Q	94.9	Very high	93.1	Very high	78 Å²	78	78.8 Å²	78.8	36%	0.364	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-35	175.7	-71.9	173.8	2.3	0	0	111.7	E458 L459 Q465 A466 L478	E458-Q462 WeakPolarHBondContact O-CG 3.46Å; E458-Q462 PolarHBondContact O-N 3.44Å; L459-Q462 PolarHBondContact O-N 3.34Å; Q462-Q465 PolarHBondContact O-N 3.29Å; Q462-A466 WeakPolarHBondContact O-CB 3.4Å; Q462-A466 PolarHBondContact O-N 3.38Å; Q462-L478 HydrophobicContact CB-CD1 3.93Å; Q462-L478 HydrophobicContact CB-CD2 3.98Å
463	R	96.1	Very high	93.5	Very high	69 Å²	69	84.6 Å²	84.6	26%	0.26	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-45.4	176.7	-177.6	-162.7	173.8	-69.9	-16.7	111.3	L459 I460 K461 Q465 A466 E467 L475 L478 D479 I482	L459-R463 VanDerWaalsContact O-CB 3.27Å; L459-R463 WeakPolarHBondContact O-CB 3.49Å; L459-R463 PolarHBondContact O-N 3.38Å; I460-R463 WeakPolarHBondContact O-CB 3.43Å; I460-R463 PolarHBondContact O-N 2.97Å; K461-R463 VanDerWaalsContact C-N 3.28Å; K461-R463 PolarHBondContact O-N 3.48Å; R463-Q465 VanDerWaalsContact C-N 3.3Å; R463-Q465 PolarHBondContact O-N 3.46Å; R463-A466 PolarHBondContact O-N 2.88Å; R463-E467 IonicContact CZ-OE2 3.19Å; R463-E467 IonicContact NH1-OE2 2.65Å; R463-E467 PolarHBondContact NH1-OE2 3.26Å; R463-E467 IonicContact NH2-OE2 3.9Å; R463-E467 VanDerWaalsContact O-CB 3.26Å; R463-E467 WeakPolarHBondContact O-CB 3.42Å; R463-E467 PolarHBondContact O-N 3.18Å; R463-L475 HydrophobicContact CG-CG 4.49Å; R463-L478 HydrophobicContact CB-CB 4.31Å; R463-L478 HydrophobicContact CB-CD1 4.38Å; R463-D479 WeakPolarHBondContact CD-OD1 3.44Å; R463-D479 IonicContact CZ-OD1 2.89Å; R463-D479 IonicContact NE-OD1 3.5Å; R463-D479 PolarHBondContact NE-OD1 3.13Å; R463-I482 HydrophobicContact CB-CD1 4.39Å
464	E	95.4	Very high	93.7	Very high	124 Å²	124	85.1 Å²	85.1	58%	0.579	44%	0.438	S	S	*	.	H	α-helix	trans	-60.6	-39	174.8	-176.2	177.1	-163.9	0	0	111.9	I460 K461 T468	I460-E464 PolarHBondContact O-N 3.22Å; K461-E464 PolarHBondContact O-N 3.12Å; E464-T468 PolarHBondContact O-N 3.4Å; E464-T468 PolarHBondContact O-OG1 2.96Å
465	Q	94.9	Very high	94	Very high	106 Å²	106	81.1 Å²	81.1	50%	0.495	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-51.2	172.9	-174.8	60.9	55.8	0	0	111.5	K461 Q462 R463 E467 T468 D469	K461-Q465 PolarHBondContact O-N 3.2Å; K461-Q465 VanDerWaalsContact O-N 3.09Å; Q462-Q465 PolarHBondContact O-N 3.29Å; R463-Q465 VanDerWaalsContact C-N 3.3Å; R463-Q465 PolarHBondContact O-N 3.46Å; Q465-E467 VanDerWaalsContact C-N 3.27Å; Q465-E467 PolarHBondContact O-N 3.06Å; Q465-T468 WeakPolarHBondContact O-CA 3.48Å; Q465-T468 WeakPolarHBondContact O-CB 3.44Å; Q465-T468 PolarHBondContact O-N 3.07Å; Q465-D469 WeakPolarHBondContact CG-OD2 3.47Å; Q465-D469 VanDerWaalsContact NE2-CG 3.27Å; Q465-D469 PolarHBondContact NE2-OD1 3.47Å; Q465-D469 PolarHBondContact NE2-OD2 2.77Å; Q465-D469 PolarHBondContact O-N 2.81Å
466	A	94.3	Very high	94.4	Very high	1 Å²	1	84.3 Å²	84.3	1%	0.008	43%	0.433	C	S	.	.	H	α-helix	trans	-61.8	-33	177.8	0	0	0	0	0	113.2	Q462 R463 T468 G470 D471 L474 L478	Q462-A466 WeakPolarHBondContact O-CB 3.4Å; Q462-A466 PolarHBondContact O-N 3.38Å; R463-A466 PolarHBondContact O-N 2.88Å; A466-T468 VanDerWaalsContact C-N 3.35Å; A466-G470 PolarHBondContact O-N 3.18Å; A466-D471 PolarHBondContact O-N 3.48Å; A466-L474 HydrophobicContact CB-CB 4.29Å; A466-L474 HydrophobicContact CB-CD2 3.79Å; A466-L474 HydrophobicContact CB-CG 3.92Å; A466-L478 HydrophobicContact CB-CD1 4.09Å
467	E	94.8	Very high	94.6	Very high	109 Å²	109	86.5 Å²	86.5	51%	0.509	44%	0.444	S	S	.	.	H	α-helix	trans	-68.7	-33.4	173.2	-172.5	165	-167.1	0	0	111.9	R463 Q465 L475	R463-E467 IonicContact CZ-OE2 3.19Å; R463-E467 IonicContact NH1-OE2 2.65Å; R463-E467 PolarHBondContact NH1-OE2 3.26Å; R463-E467 IonicContact NH2-OE2 3.9Å; R463-E467 VanDerWaalsContact O-CB 3.26Å; R463-E467 WeakPolarHBondContact O-CB 3.42Å; R463-E467 PolarHBondContact O-N 3.18Å; Q465-E467 VanDerWaalsContact C-N 3.27Å; Q465-E467 PolarHBondContact O-N 3.06Å; E467-L475 HydrophobicContact CB-CD1 3.8Å; E467-L475 HydrophobicContact CG-CD1 4.12Å
468	T	94.7	Very high	94.6	Very high	110 Å²	110	84.1 Å²	84.1	68%	0.675	42%	0.423	S	S	*	.	H	α-helix	trans	-72.8	-40.8	173.8	-55.7	0	0	0	0	112	E464 Q465 A466 G470	E464-T468 PolarHBondContact O-N 3.4Å; E464-T468 PolarHBondContact O-OG1 2.96Å; Q465-T468 WeakPolarHBondContact O-CA 3.48Å; Q465-T468 WeakPolarHBondContact O-CB 3.44Å; Q465-T468 PolarHBondContact O-N 3.07Å; A466-T468 VanDerWaalsContact C-N 3.35Å; T468-G470 VanDerWaalsContact C-N 3.33Å
469	D	94.2	Very high	94.8	Very high	96 Å²	96	83.4 Å²	83.4	51%	0.513	42%	0.422	S	S	.	.	H	α-helix	trans	-77.2	-19.3	-179.7	-61.8	-35.2	0	0	0	112.7	Q465	Q465-D469 WeakPolarHBondContact CG-OD2 3.47Å; Q465-D469 VanDerWaalsContact NE2-CG 3.27Å; Q465-D469 PolarHBondContact NE2-OD1 3.47Å; Q465-D469 PolarHBondContact NE2-OD2 2.77Å; Q465-D469 PolarHBondContact O-N 2.81Å
470	G	93.1	Very high	94.8	Very high	49 Å²	49	86.9 Å²	86.9	51%	0.505	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	8.4	177.6	0	0	0	0	0	115.1	A466 T468 T472	A466-G470 PolarHBondContact O-N 3.18Å; T468-G470 VanDerWaalsContact C-N 3.33Å; G470-T472 PolarHBondContact O-N 2.7Å
471	D	94.2	Very high	94.7	Very high	89 Å²	89	85.4 Å²	85.4	48%	0.476	44%	0.438	S	S	.	.			trans	-76.4	82.3	-173.8	-79.9	-24.8	0	0	0	112.6	A466 E473 L474 L475	A466-D471 PolarHBondContact O-N 3.48Å; D471-E473 PolarHBondContact O-N 2.96Å; D471-E473 VanDerWaalsContact O-N 3.12Å; D471-L474 HydrophobicContact CB-CB 3.95Å; D471-L474 PolarHBondContact O-N 3.25Å; D471-L475 WeakPolarHBondContact O-CB 3.29Å; D471-L475 PolarHBondContact O-N 3.27Å
472	T	92.8	Very high	94.6	Very high	91 Å²	91	78.8 Å²	78.8	56%	0.558	41%	0.41	S	S	*	.	H	α-helix	trans	-61.3	-22.1	-175.9	70.3	0	0	0	0	115.1	G470 K476	G470-T472 PolarHBondContact O-N 2.7Å; T472-K476 WeakPolarHBondContact O-CD 3.37Å; T472-K476 VanDerWaalsContact O-CG 3.28Å; T472-K476 WeakPolarHBondContact O-CG 3.28Å; T472-K476 PolarHBondContact O-N 3.4Å
473	E	94	Very high	94.7	Very high	162 Å²	162	81.8 Å²	81.8	76%	0.757	42%	0.424	S	S	*	.	H	α-helix	trans	-78.5	-46.4	175.9	-62.7	-167.5	162.7	0	0	111.6	D471 L475 K476 H477	D471-E473 PolarHBondContact O-N 2.96Å; D471-E473 VanDerWaalsContact O-N 3.12Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.8Å; E473-K476 PolarHBondContact O-N 2.83Å; E473-H477 PolarHBondContact O-N 2.86Å; E473-H477 VanDerWaalsContact O-N 3.11Å
474	L	93.4	Very high	94.5	Very high	80 Å²	80	83.9 Å²	83.9	42%	0.419	44%	0.437	S	S	.	.	H	α-helix	trans	-62.2	-41.1	175.6	-179.1	58.9	0	0	0	110.7	A466 D471 K476 H477 L478	A466-L474 HydrophobicContact CB-CB 4.29Å; A466-L474 HydrophobicContact CB-CD2 3.79Å; A466-L474 HydrophobicContact CB-CG 3.92Å; D471-L474 HydrophobicContact CB-CB 3.95Å; D471-L474 PolarHBondContact O-N 3.25Å; L474-K476 PolarHBondContact O-N 2.65Å; L474-H477 PolarHBondContact O-N 3.03Å; L474-L478 HydrophobicContact CD1-CD1 4.07Å; L474-L478 HydrophobicContact CD1-CG 4.19Å; L474-L478 HydrophobicContact CG-CD1 3.83Å; L474-L478 HydrophobicContact CG-CG 4.39Å; L474-L478 WeakPolarHBondContact O-CB 3.29Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.44Å; L474-L478 PolarHBondContact O-N 3.02Å
475	L	95.4	Very high	94.3	Very high	36 Å²	36	78.4 Å²	78.4	19%	0.188	41%	0.411	C	S	.	.	H	α-helix	trans	-58.6	-44.6	176	-170.4	151.8	0	0	0	112	R463 E467 D471 E473 H477 L478 D479	R463-L475 HydrophobicContact CG-CG 4.49Å; E467-L475 HydrophobicContact CB-CD1 3.8Å; E467-L475 HydrophobicContact CG-CD1 4.12Å; D471-L475 WeakPolarHBondContact O-CB 3.29Å; D471-L475 PolarHBondContact O-N 3.27Å; E473-L475 VanDerWaalsContact C-N 3.31Å; E473-L475 PolarHBondContact O-N 2.8Å; L475-H477 PolarHBondContact O-N 3.07Å; L475-L478 PolarHBondContact O-N 2.81Å; L475-D479 VanDerWaalsContact CD2-OD2 3.3Å; L475-D479 WeakPolarHBondContact CD2-OD2 3.3Å; L475-D479 WeakPolarHBondContact O-CB 3.17Å; L475-D479 PolarHBondContact O-N 2.75Å
476	K	95.5	Very high	94.2	Very high	131 Å²	131	77.5 Å²	77.5	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-63.3	-39.7	175.6	-72.7	165.7	-172.3	164.3	0	112.9	T472 E473 L474 S480	T472-K476 WeakPolarHBondContact O-CD 3.37Å; T472-K476 VanDerWaalsContact O-CG 3.28Å; T472-K476 WeakPolarHBondContact O-CG 3.28Å; T472-K476 PolarHBondContact O-N 3.4Å; E473-K476 PolarHBondContact O-N 2.83Å; L474-K476 PolarHBondContact O-N 2.65Å; K476-S480 WeakPolarHBondContact O-CB 3.49Å; K476-S480 PolarHBondContact O-N 3.37Å; K476-S480 VanDerWaalsContact O-N 3.09Å; K476-S480 PolarHBondContact O-OG 3.29Å
477	H	95.9	Very high	94.1	Very high	119 Å²	119	80.8 Å²	80.8	55%	0.551	43%	0.43	S	S	*	.	H	α-helix	trans	-64	-46.2	175.9	-177.8	-70.9	0	0	0	110.9	E473 L474 L475 S480 E481	E473-H477 PolarHBondContact O-N 2.86Å; E473-H477 VanDerWaalsContact O-N 3.11Å; L474-H477 PolarHBondContact O-N 3.03Å; L475-H477 PolarHBondContact O-N 3.07Å; H477-S480 WeakPolarHBondContact O-CB 3.44Å; H477-S480 PolarHBondContact O-N 2.92Å; H477-E481 IonicContact CE1-OE2 3.92Å; H477-E481 PolarHBondContact O-N 3.11Å
478	L	95.5	Very high	93.8	Very high	5 Å²	5	78.4 Å²	78.4	3%	0.026	42%	0.419	C	S	.	.	H	α-helix	trans	-66	-41.5	179.2	-69.4	169	0	0	0	112.2	L459 Q462 R463 A466 L474 L475 S480 E481 I482	L459-L478 HydrophobicContact CD2-CD2 3.68Å; Q462-L478 HydrophobicContact CB-CD1 3.93Å; Q462-L478 HydrophobicContact CB-CD2 3.98Å; R463-L478 HydrophobicContact CB-CB 4.31Å; R463-L478 HydrophobicContact CB-CD1 4.38Å; A466-L478 HydrophobicContact CB-CD1 4.09Å; L474-L478 HydrophobicContact CD1-CD1 4.07Å; L474-L478 HydrophobicContact CD1-CG 4.19Å; L474-L478 HydrophobicContact CG-CD1 3.83Å; L474-L478 HydrophobicContact CG-CG 4.39Å; L474-L478 WeakPolarHBondContact O-CB 3.29Å; L474-L478 VanDerWaalsContact O-CG 3.29Å; L474-L478 WeakPolarHBondContact O-CG 3.44Å; L474-L478 PolarHBondContact O-N 3.02Å; L475-L478 PolarHBondContact O-N 2.81Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 2.88Å; L478-E481 PolarHBondContact O-N 3.34Å; L478-I482 WeakPolarHBondContact O-CB 3.34Å; L478-I482 WeakPolarHBondContact O-CD1 3.19Å; L478-I482 WeakPolarHBondContact O-CG1 3.24Å; L478-I482 PolarHBondContact O-N 3.23Å
479	D	95.8	Very high	93.6	Very high	63 Å²	63	74.6 Å²	74.6	34%	0.337	40%	0.399	S	S	.	.	H	α-helix	trans	-59.5	-40.2	173.4	-80.9	-16.9	0	0	0	111.3	R463 L475 I482 E483	R463-D479 WeakPolarHBondContact CD-OD1 3.44Å; R463-D479 IonicContact CZ-OD1 2.89Å; R463-D479 IonicContact NE-OD1 3.5Å; R463-D479 PolarHBondContact NE-OD1 3.13Å; L475-D479 VanDerWaalsContact CD2-OD2 3.3Å; L475-D479 WeakPolarHBondContact CD2-OD2 3.3Å; L475-D479 WeakPolarHBondContact O-CB 3.17Å; L475-D479 PolarHBondContact O-N 2.75Å; D479-I482 PolarHBondContact O-N 3.21Å; D479-E483 PolarHBondContact O-N 2.8Å
480	S	95.5	Very high	93.4	Very high	73 Å²	73	74.7 Å²	74.7	51%	0.51	40%	0.396	S	S	.	.	H	α-helix	trans	-68.4	-40.2	177	-59.2	0	0	0	0	112.6	K476 H477 L478 E483 E484	K476-S480 WeakPolarHBondContact O-CB 3.49Å; K476-S480 PolarHBondContact O-N 3.37Å; K476-S480 VanDerWaalsContact O-N 3.09Å; K476-S480 PolarHBondContact O-OG 3.29Å; H477-S480 WeakPolarHBondContact O-CB 3.44Å; H477-S480 PolarHBondContact O-N 2.92Å; L478-S480 VanDerWaalsContact C-N 3.28Å; L478-S480 PolarHBondContact O-N 2.88Å; S480-E483 PolarHBondContact O-N 3.25Å; S480-E484 PolarHBondContact O-N 2.98Å
481	E	92.3	Very high	93.2	Very high	46 Å²	46	81 Å²	81	22%	0.215	41%	0.405	C	S	.	.	H	α-helix	trans	-68.7	-35.2	175.6	-160.6	-172.1	149.3	0	0	111.7	R455 L459 H477 L478 E484 I485	R455-E481 IonicContact CZ-OE1 3.01Å; R455-E481 IonicContact NE-OE1 3.25Å; R455-E481 PolarHBondContact NE-OE1 3.05Å; R455-E481 VanDerWaalsContact NE-OE1 3.15Å; R455-E481 IonicContact NH2-OE1 2.77Å; R455-E481 PolarHBondContact NH2-OE1 2.89Å; R455-E481 IonicContact NH2-OE2 2.71Å; L459-E481 HydrophobicContact CD1-CB 3.97Å; L459-E481 HydrophobicContact CD1-CG 3.72Å; L459-E481 HydrophobicContact CD2-CB 4.47Å; L459-E481 HydrophobicContact CD2-CG 4.36Å; L459-E481 WeakPolarHBondContact CD2-OE2 3.48Å; H477-E481 IonicContact CE1-OE2 3.92Å; H477-E481 PolarHBondContact O-N 3.11Å; L478-E481 PolarHBondContact O-N 3.34Å; E481-E484 PolarHBondContact O-N 3.16Å; E481-I485 HydrophobicContact CG-CD1 4.27Å; E481-I485 WeakPolarHBondContact O-CB 3.35Å; E481-I485 PolarHBondContact O-N 2.84Å
482	I	94.8	Very high	92.7	Very high	18 Å²	18	79.4 Å²	79.4	9%	0.092	40%	0.395	C	S	.	.	H	α-helix	trans	-62.8	-48.2	172.1	-69.9	164.2	0	0	0	110.2	L459 I460 R463 L478 D479 E484 I485 E486	L459-I482 HydrophobicContact CB-CD1 4.08Å; L459-I482 HydrophobicContact CB-CG1 3.61Å; L459-I482 HydrophobicContact CD1-CG1 4.08Å; I460-I482 HydrophobicContact CG1-CD1 4.15Å; R463-I482 HydrophobicContact CB-CD1 4.39Å; L478-I482 WeakPolarHBondContact O-CB 3.34Å; L478-I482 WeakPolarHBondContact O-CD1 3.19Å; L478-I482 WeakPolarHBondContact O-CG1 3.24Å; L478-I482 PolarHBondContact O-N 3.23Å; D479-I482 PolarHBondContact O-N 3.21Å; I482-E484 VanDerWaalsContact C-N 3.35Å; I482-E484 PolarHBondContact O-N 3.13Å; I482-I485 PolarHBondContact O-N 3.31Å; I482-E486 HydrophobicContact CG2-CG 4.46Å; I482-E486 WeakPolarHBondContact O-CG 3.39Å; I482-E486 PolarHBondContact O-N 3.1Å
483	E	95.3	Very high	92.3	Very high	141 Å²	141	79.4 Å²	79.4	66%	0.659	39%	0.389	S	S	*	.	H	α-helix	trans	-61.4	-41.1	177.7	-174.6	173.8	-166.8	0	0	111.8	D479 S480 I485 E486 S487	D479-E483 PolarHBondContact O-N 2.8Å; S480-E483 PolarHBondContact O-N 3.25Å; E483-I485 PolarHBondContact O-N 2.75Å; E483-E486 PolarHBondContact O-N 3.38Å; E483-S487 VanDerWaalsContact O-CB 3.24Å; E483-S487 WeakPolarHBondContact O-CB 3.34Å; E483-S487 PolarHBondContact O-N 3.44Å
484	E	93	Very high	91.9	Very high	112 Å²	112	77.6 Å²	77.6	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-60.6	-47.8	175.5	-168	-172.7	167.7	0	0	111.3	S480 E481 I482 E486 S487 Q488	S480-E484 PolarHBondContact O-N 2.98Å; E481-E484 PolarHBondContact O-N 3.16Å; I482-E484 VanDerWaalsContact C-N 3.35Å; I482-E484 PolarHBondContact O-N 3.13Å; E484-E486 PolarHBondContact O-N 3.07Å; E484-S487 PolarHBondContact O-N 3.16Å; E484-Q488 HydrophobicContact CG-CG 4.35Å; E484-Q488 WeakPolarHBondContact O-CB 3.43Å; E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 2.92Å; E484-Q488 PolarHBondContact OE1-NE2 3.33Å
485	I	91.3	Very high	91.5	Very high	10 Å²	10	82.4 Å²	82.4	5%	0.051	39%	0.388	C	S	.	.	H	α-helix	trans	-65.6	-38.4	-179.4	-79.9	164.5	0	0	0	112	F452 R455 K456 L459 E481 I482 E483 A489	F452-I485 HydrophobicContact CB-CG2 4.39Å; F452-I485 HydrophobicContact CD1-CG2 4.23Å; R455-I485 HydrophobicContact CB-CD1 4.28Å; R455-I485 HydrophobicContact CG-CD1 3.4Å; K456-I485 HydrophobicContact CB-CG2 4.27Å; L459-I485 HydrophobicContact CD1-CD1 3.44Å; L459-I485 VanDerWaalsContact CD1-CD1 3.44Å; E481-I485 HydrophobicContact CG-CD1 4.27Å; E481-I485 WeakPolarHBondContact O-CB 3.35Å; E481-I485 PolarHBondContact O-N 2.84Å; I482-I485 PolarHBondContact O-N 3.31Å; E483-I485 PolarHBondContact O-N 2.75Å; I485-A489 WeakPolarHBondContact O-CB 3.31Å; I485-A489 PolarHBondContact O-N 2.84Å
486	E	92.9	Very high	90.8	Very high	87 Å²	87	89.1 Å²	89.1	41%	0.407	41%	0.411	S	S	.	.	H	α-helix	trans	-64	-45.4	172.8	-73.3	-170.7	173.7	0	0	111.6	K456 I482 E483 E484 A489 E490	K456-E486 HydrophobicContact CD-CG 4.21Å; K456-E486 WeakPolarHBondContact CE-OE1 3.38Å; K456-E486 IonicContact NZ-OE1 2.7Å; K456-E486 PolarHBondContact NZ-OE1 3.27Å; I482-E486 HydrophobicContact CG2-CG 4.46Å; I482-E486 WeakPolarHBondContact O-CG 3.39Å; I482-E486 PolarHBondContact O-N 3.1Å; E483-E486 PolarHBondContact O-N 3.38Å; E484-E486 PolarHBondContact O-N 3.07Å; E486-A489 PolarHBondContact O-N 3.15Å; E486-E490 WeakPolarHBondContact O-CB 3.29Å; E486-E490 PolarHBondContact O-N 2.99Å
487	S	92.7	Very high	90.2	Very high	69 Å²	69	84.5 Å²	84.5	48%	0.483	39%	0.393	S	S	.	.	H	α-helix	trans	-63.2	-42.2	177.3	-176.5	0	0	0	0	112.5	E483 E484 R491	E483-S487 VanDerWaalsContact O-CB 3.24Å; E483-S487 WeakPolarHBondContact O-CB 3.34Å; E483-S487 PolarHBondContact O-N 3.44Å; E484-S487 PolarHBondContact O-N 3.16Å; S487-R491 VanDerWaalsContact O-CB 3.32Å; S487-R491 WeakPolarHBondContact O-CB 3.17Å; S487-R491 PolarHBondContact O-N 2.98Å
488	Q	88.4	Confident	89.3	Confident	59 Å²	59	84.5 Å²	84.5	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-63.5	-46.3	173.6	-72.7	-175.5	16.9	0	0	111.6	F452 E484 R491 I492	F452-Q488 HydrophobicContact CE1-CB 3.93Å; E484-Q488 HydrophobicContact CG-CG 4.35Å; E484-Q488 WeakPolarHBondContact O-CB 3.43Å; E484-Q488 VanDerWaalsContact O-CG 3.3Å; E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 2.92Å; E484-Q488 PolarHBondContact OE1-NE2 3.33Å; Q488-R491 PolarHBondContact O-N 2.82Å; Q488-I492 WeakPolarHBondContact O-CG1 3.29Å; Q488-I492 PolarHBondContact O-N 3.12Å; Q488-I492 VanDerWaalsContact O-N 3.09Å
489	A	89	Confident	88.2	Confident	31 Å²	31	87.1 Å²	87.1	26%	0.256	43%	0.426	S	S	.	.	H	α-helix	trans	-62.1	-45.7	177.5	0	0	0	0	0	111.1	F452 I485 E486 R491 I492 E493	F452-A489 HydrophobicContact CB-CB 4.04Å; F452-A489 HydrophobicContact CD1-CB 4Å; F452-A489 HydrophobicContact CG-CB 3.95Å; I485-A489 WeakPolarHBondContact O-CB 3.31Å; I485-A489 PolarHBondContact O-N 2.84Å; E486-A489 PolarHBondContact O-N 3.15Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 3.45Å; A489-I492 PolarHBondContact O-N 3.03Å; A489-E493 WeakPolarHBondContact O-CB 3.47Å; A489-E493 PolarHBondContact O-N 3.05Å
490	E	90	Very high	86.9	Confident	98 Å²	98	89.8 Å²	89.8	46%	0.458	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-37.4	177.3	-152.3	-145.6	142.1	0	0	111.3	E486 I492 E493 R494	E486-E490 WeakPolarHBondContact O-CB 3.29Å; E486-E490 PolarHBondContact O-N 2.99Å; E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 3.4Å; E490-E493 PolarHBondContact O-N 2.88Å; E490-R494 VanDerWaalsContact CD-NE 3.33Å; E490-R494 VanDerWaalsContact O-CB 3.3Å; E490-R494 WeakPolarHBondContact O-CB 3.44Å; E490-R494 WeakPolarHBondContact O-CG 3.42Å; E490-R494 PolarHBondContact O-N 3.21Å; E490-R494 IonicContact OE1-CZ 3.47Å; E490-R494 VanDerWaalsContact OE1-CZ 3.25Å; E490-R494 IonicContact OE1-NE 3.1Å; E490-R494 PolarHBondContact OE1-NE 3.45Å; E490-R494 IonicContact OE1-NH2 2.77Å; E490-R494 PolarHBondContact OE1-NH2 3.46Å; E490-R494 IonicContact OE2-CZ 2.67Å; E490-R494 IonicContact OE2-NE 2.67Å; E490-R494 IonicContact OE2-NH2 3.55Å; E490-R494 PolarHBondContact OE2-NH2 2.83Å
491	R	88.9	Confident	85.9	Confident	181 Å²	181	92.1 Å²	92.1	68%	0.683	44%	0.435	S	S	*	.	H	α-helix	trans	-62.5	-39.2	174.9	-170.8	-179.1	-173.1	110.7	-0.1	112.3	S487 Q488 A489 R495	S487-R491 VanDerWaalsContact O-CB 3.32Å; S487-R491 WeakPolarHBondContact O-CB 3.17Å; S487-R491 PolarHBondContact O-N 2.98Å; Q488-R491 PolarHBondContact O-N 2.82Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 3.45Å; R491-R495 PolarHBondContact O-N 2.73Å
492	I	85.3	Confident	85.3	Confident	55 Å²	55	93.7 Å²	93.7	28%	0.282	45%	0.451	S	S	.	.	H	α-helix	trans	-70.9	-42.7	175.4	-68.2	165.8	0	0	0	110.3	F452 Q488 A489 E490 R495 R496	F452-I492 HydrophobicContact CE1-CD1 4.28Å; F452-I492 HydrophobicContact CE2-CD1 3.63Å; F452-I492 HydrophobicContact CZ-CD1 3.35Å; Q488-I492 WeakPolarHBondContact O-CG1 3.29Å; Q488-I492 PolarHBondContact O-N 3.12Å; Q488-I492 VanDerWaalsContact O-N 3.09Å; A489-I492 PolarHBondContact O-N 3.03Å; E490-I492 VanDerWaalsContact C-N 3.33Å; E490-I492 PolarHBondContact O-N 3.4Å; I492-R495 WeakPolarHBondContact O-CB 3.47Å; I492-R495 PolarHBondContact O-N 3.46Å; I492-R495 VanDerWaalsContact O-N 3.16Å; I492-R496 WeakPolarHBondContact O-CG 3.29Å; I492-R496 PolarHBondContact O-N 2.94Å
493	E	84.3	Confident	84.6	Confident	91 Å²	91	96.1 Å²	96.1	43%	0.425	46%	0.464	S	S	.	.	H	α-helix	trans	-68.4	-40	-179.6	-165.5	54.9	-148.2	0	0	112	A489 E490 R495 R496 T497	A489-E493 WeakPolarHBondContact O-CB 3.47Å; A489-E493 PolarHBondContact O-N 3.05Å; E490-E493 PolarHBondContact O-N 2.88Å; E493-R495 VanDerWaalsContact C-N 3.3Å; E493-R495 PolarHBondContact O-N 2.93Å; E493-R496 PolarHBondContact O-N 3.46Å; E493-R496 IonicContact OE2-NH1 3.79Å; E493-R496 PolarHBondContact OE2-NH1 3.25Å; E493-T497 HydrophobicContact CG-CG2 4.31Å; E493-T497 WeakPolarHBondContact O-CB 3.38Å; E493-T497 WeakPolarHBondContact O-CG2 3.33Å; E493-T497 PolarHBondContact O-N 3.32Å; E493-T497 PolarHBondContact O-OG1 3.22Å; E493-T497 WeakPolarHBondContact OE1-CG2 3.2Å
494	R	86	Confident	84.2	Confident	124 Å²	124	92.2 Å²	92.2	47%	0.468	45%	0.449	S	S	.	.	H	α-helix	trans	-53.8	-47.9	168	-74.9	179.1	-154.6	165	12.9	110.4	E490 R496 T497 L498	E490-R494 VanDerWaalsContact CD-NE 3.33Å; E490-R494 VanDerWaalsContact O-CB 3.3Å; E490-R494 WeakPolarHBondContact O-CB 3.44Å; E490-R494 WeakPolarHBondContact O-CG 3.42Å; E490-R494 PolarHBondContact O-N 3.21Å; E490-R494 IonicContact OE1-CZ 3.47Å; E490-R494 VanDerWaalsContact OE1-CZ 3.25Å; E490-R494 IonicContact OE1-NE 3.1Å; E490-R494 PolarHBondContact OE1-NE 3.45Å; E490-R494 IonicContact OE1-NH2 2.77Å; E490-R494 PolarHBondContact OE1-NH2 3.46Å; E490-R494 IonicContact OE2-CZ 2.67Å; E490-R494 IonicContact OE2-NE 2.67Å; E490-R494 IonicContact OE2-NH2 3.55Å; E490-R494 PolarHBondContact OE2-NH2 2.83Å; R494-R496 PolarHBondContact O-N 3.27Å; R494-T497 WeakPolarHBondContact CA-OG1 3.33Å; R494-T497 PolarHBondContact O-N 3.23Å; R494-T497 PolarHBondContact O-OG1 3.1Å; R494-L498 WeakPolarHBondContact O-CG 3.48Å; R494-L498 PolarHBondContact O-N 2.94Å
495	R	84.1	Confident	83.9	Confident	182 Å²	182	90.5 Å²	90.5	69%	0.687	45%	0.45	S	S	*	.	H	α-helix	trans	-62.2	-41.4	179.5	-175.2	-178	-67.3	170.9	-2	112.3	R491 I492 E493	R491-R495 PolarHBondContact O-N 2.73Å; I492-R495 WeakPolarHBondContact O-CB 3.47Å; I492-R495 PolarHBondContact O-N 3.46Å; I492-R495 VanDerWaalsContact O-N 3.16Å; E493-R495 VanDerWaalsContact C-N 3.3Å; E493-R495 PolarHBondContact O-N 2.93Å
496	R	81.5	Confident	83.6	Confident	176 Å²	176	93.6 Å²	93.6	66%	0.664	47%	0.466	S	S	*	.	H	α-helix	trans	-66.8	-40.9	175.6	-70.1	171.5	176.8	163.3	-2.7	112.3	I492 E493 R494	I492-R496 WeakPolarHBondContact O-CG 3.29Å; I492-R496 PolarHBondContact O-N 2.94Å; E493-R496 PolarHBondContact O-N 3.46Å; E493-R496 IonicContact OE2-NH1 3.79Å; E493-R496 PolarHBondContact OE2-NH1 3.25Å; R494-R496 PolarHBondContact O-N 3.27Å
497	T	81.6	Confident	83.3	Confident	34 Å²	34	93.6 Å²	93.6	21%	0.209	47%	0.469	C	S	.	.	H	α-helix	trans	-84.7	-1.9	-176.1	56.7	0	0	0	0	114.5	E493 R494 G499 F500 K501	E493-T497 HydrophobicContact CG-CG2 4.31Å; E493-T497 WeakPolarHBondContact O-CB 3.38Å; E493-T497 WeakPolarHBondContact O-CG2 3.33Å; E493-T497 PolarHBondContact O-N 3.32Å; E493-T497 PolarHBondContact O-OG1 3.22Å; E493-T497 WeakPolarHBondContact OE1-CG2 3.2Å; R494-T497 WeakPolarHBondContact CA-OG1 3.33Å; R494-T497 PolarHBondContact O-N 3.23Å; R494-T497 PolarHBondContact O-OG1 3.1Å; T497-G499 VanDerWaalsContact C-N 3.33Å; T497-G499 PolarHBondContact O-N 3.42Å; T497-F500 PolarHBondContact O-N 3.25Å; T497-K501 WeakPolarHBondContact O-CG 3.38Å; T497-K501 PolarHBondContact O-N 2.94Å
498	L	78	Confident	83.2	Confident	119 Å²	119	97 Å²	97	62%	0.623	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-49.9	178.6	-83.8	173.5	0	0	0	112.1	R494	R494-L498 WeakPolarHBondContact O-CG 3.48Å; R494-L498 PolarHBondContact O-N 2.94Å
499	G	71.3	Confident	83.4	Confident	61 Å²	61	102.6 Å²	102.6	63%	0.629	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-30.3	173.3	0	0	0	0	0	113.7	T497 K501	T497-G499 VanDerWaalsContact C-N 3.33Å; T497-G499 PolarHBondContact O-N 3.42Å; G499-K501 VanDerWaalsContact C-N 3.28Å; G499-K501 PolarHBondContact O-N 2.91Å
500	F	69.3	Low	83.4	Confident	118 Å²	118	105.3 Å²	105.3	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-70.5	-20.4	-177.1	-161.8	-106.5	0	0	0	113.7	T497 S502 I503 T504	T497-F500 PolarHBondContact O-N 3.25Å; F500-S502 VanDerWaalsContact C-N 3.34Å; F500-S502 PolarHBondContact O-N 3.09Å; F500-I503 HydrophobicContact CB-CG2 4.45Å; F500-I503 HydrophobicContact CD2-CG2 3.44Å; F500-I503 VanDerWaalsContact CD2-CG2 3.44Å; F500-I503 HydrophobicContact CE2-CG2 3.74Å; F500-I503 HydrophobicContact CG-CG2 3.99Å; F500-I503 HydrophobicContact CZ-CG2 4.49Å; F500-I503 WeakPolarHBondContact O-CG2 3.34Å; F500-T504 WeakPolarHBondContact CD1-OG1 3.21Å; F500-T504 WeakPolarHBondContact CE1-OG1 3.14Å; F500-T504 WeakPolarHBondContact O-CB 3.49Å; F500-T504 PolarHBondContact O-N 3.35Å; F500-T504 PolarHBondContact O-OG1 2.72Å
501	K	74	Confident	83.4	Confident	123 Å²	123	110.1 Å²	110.1	54%	0.535	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-38.1	178.1	-76.7	172.9	-176.4	-176.8	0	113.3	T497 G499 S505	T497-K501 WeakPolarHBondContact O-CG 3.38Å; T497-K501 PolarHBondContact O-N 2.94Å; G499-K501 VanDerWaalsContact C-N 3.28Å; G499-K501 PolarHBondContact O-N 2.91Å; K501-S505 WeakPolarHBondContact O-CB 3.41Å; K501-S505 PolarHBondContact O-N 3.05Å
502	S	80	Confident	83.7	Confident	78 Å²	78	103.9 Å²	103.9	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-64.8	-54.7	177.7	-175.2	0	0	0	0	110.9	F500 T504 S505 I506	F500-S502 VanDerWaalsContact C-N 3.34Å; F500-S502 PolarHBondContact O-N 3.09Å; S502-T504 VanDerWaalsContact C-N 3.29Å; S502-T504 PolarHBondContact O-N 3Å; S502-S505 WeakPolarHBondContact O-CA 3.21Å; S502-S505 WeakPolarHBondContact O-CB 3.41Å; S502-S505 PolarHBondContact O-N 3.12Å; S502-I506 WeakPolarHBondContact O-CG1 3.48Å; S502-I506 PolarHBondContact O-N 3.2Å
503	I	81	Confident	84.1	Confident	70 Å²	70	104.5 Å²	104.5	36%	0.359	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-30.4	177.8	-173.9	61.2	0	0	0	113	F500 N507	F500-I503 HydrophobicContact CB-CG2 4.45Å; F500-I503 HydrophobicContact CD2-CG2 3.44Å; F500-I503 VanDerWaalsContact CD2-CG2 3.44Å; F500-I503 HydrophobicContact CE2-CG2 3.74Å; F500-I503 HydrophobicContact CG-CG2 3.99Å; F500-I503 HydrophobicContact CZ-CG2 4.49Å; F500-I503 WeakPolarHBondContact O-CG2 3.34Å; I503-N507 VanDerWaalsContact O-CB 3.25Å; I503-N507 WeakPolarHBondContact O-CB 3.38Å; I503-N507 PolarHBondContact O-N 2.97Å; I503-N507 PolarHBondContact O-ND2 2.97Å
504	T	84.9	Confident	84.3	Confident	58 Å²	58	103.6 Å²	103.6	36%	0.356	51%	0.514	S	S	.	.	H	α-helix	trans	-64.5	-44.6	170.9	-56	0	0	0	0	111.3	F500 S502 N507 Q508	F500-T504 WeakPolarHBondContact CD1-OG1 3.21Å; F500-T504 WeakPolarHBondContact CE1-OG1 3.14Å; F500-T504 WeakPolarHBondContact O-CB 3.49Å; F500-T504 PolarHBondContact O-N 3.35Å; F500-T504 PolarHBondContact O-OG1 2.72Å; S502-T504 VanDerWaalsContact C-N 3.29Å; S502-T504 PolarHBondContact O-N 3Å; T504-N507 PolarHBondContact O-N 2.93Å; T504-Q508 VanDerWaalsContact O-CB 3.28Å; T504-Q508 WeakPolarHBondContact O-CB 3.22Å; T504-Q508 PolarHBondContact O-N 3.23Å
505	S	86.8	Confident	84.6	Confident	76 Å²	76	101.9 Å²	101.9	53%	0.531	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-44.5	177.1	-169.4	0	0	0	0	111.5	K501 S502 Q508 R509	K501-S505 WeakPolarHBondContact O-CB 3.41Å; K501-S505 PolarHBondContact O-N 3.05Å; S502-S505 WeakPolarHBondContact O-CA 3.21Å; S502-S505 WeakPolarHBondContact O-CB 3.41Å; S502-S505 PolarHBondContact O-N 3.12Å; S505-Q508 PolarHBondContact O-N 3.28Å; S505-R509 WeakPolarHBondContact O-CB 2.96Å; S505-R509 PolarHBondContact O-N 3.05Å
506	I	85.2	Confident	85	Confident	76 Å²	76	98.7 Å²	98.7	39%	0.39	51%	0.51	S	S	.	.	H	α-helix	trans	-61.3	-49.2	175	-67.5	158.6	0	0	0	110.6	S502 Q508 R509 N510	S502-I506 WeakPolarHBondContact O-CG1 3.48Å; S502-I506 PolarHBondContact O-N 3.2Å; I506-Q508 VanDerWaalsContact C-N 3.31Å; I506-Q508 PolarHBondContact O-N 3.39Å; I506-R509 PolarHBondContact O-N 3.12Å; I506-N510 WeakPolarHBondContact O-CB 3.13Å; I506-N510 PolarHBondContact O-N 3.23Å; I506-N510 PolarHBondContact O-OD1 2.88Å
507	N	86.3	Confident	85.5	Confident	87 Å²	87	96.4 Å²	96.4	47%	0.465	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-36.5	178.5	-72.3	-14.5	0	0	0	112.3	I503 T504 R511	I503-N507 VanDerWaalsContact O-CB 3.25Å; I503-N507 WeakPolarHBondContact O-CB 3.38Å; I503-N507 PolarHBondContact O-N 2.97Å; I503-N507 PolarHBondContact O-ND2 2.97Å; T504-N507 PolarHBondContact O-N 2.93Å; N507-R511 VanDerWaalsContact O-CB 3.24Å; N507-R511 WeakPolarHBondContact O-CB 3.41Å; N507-R511 PolarHBondContact O-N 3.06Å
508	Q	90.7	Very high	85.9	Confident	140 Å²	140	97.1 Å²	97.1	65%	0.654	52%	0.516	S	S	*	.	H	α-helix	trans	-68	-41.1	174.1	-175.6	173.6	-4.2	0	0	111.8	T504 S505 I506 R511 A512	T504-Q508 VanDerWaalsContact O-CB 3.28Å; T504-Q508 WeakPolarHBondContact O-CB 3.22Å; T504-Q508 PolarHBondContact O-N 3.23Å; S505-Q508 PolarHBondContact O-N 3.28Å; I506-Q508 VanDerWaalsContact C-N 3.31Å; I506-Q508 PolarHBondContact O-N 3.39Å; Q508-R511 PolarHBondContact O-N 2.9Å; Q508-A512 WeakPolarHBondContact O-CB 3.29Å; Q508-A512 PolarHBondContact O-N 2.92Å
509	R	93.3	Very high	86.4	Confident	176 Å²	176	97.9 Å²	97.9	66%	0.664	52%	0.516	S	S	*	.	H	α-helix	trans	-65	-48.4	175.5	-176.6	175.8	-177.9	151.7	0.6	111.3	S505 I506 R511 A512 L513	S505-R509 WeakPolarHBondContact O-CB 2.96Å; S505-R509 PolarHBondContact O-N 3.05Å; I506-R509 PolarHBondContact O-N 3.12Å; R509-R511 VanDerWaalsContact C-N 3.28Å; R509-R511 PolarHBondContact O-N 2.58Å; R509-A512 PolarHBondContact O-N 3.3Å; R509-A512 VanDerWaalsContact O-N 3.1Å; R509-L513 HydrophobicContact CG-CD1 3.96Å; R509-L513 HydrophobicContact CG-CG 4.33Å; R509-L513 WeakPolarHBondContact O-CB 3.5Å; R509-L513 WeakPolarHBondContact O-CG 3.24Å; R509-L513 PolarHBondContact O-N 3.04Å
510	N	90	Very high	87.4	Confident	89 Å²	89	100.3 Å²	100.3	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-37.3	178.2	-67.5	1.8	0	0	0	111.1	I506 S514	I506-N510 WeakPolarHBondContact O-CB 3.13Å; I506-N510 PolarHBondContact O-N 3.23Å; I506-N510 PolarHBondContact O-OD1 2.88Å; N510-S514 WeakPolarHBondContact O-CB 3.45Å; N510-S514 PolarHBondContact O-N 3.45Å
511	R	89.9	Confident	88.3	Confident	198 Å²	198	97.4 Å²	97.4	75%	0.747	51%	0.509	S	S	*	.	H	α-helix	trans	-67	-39.8	172.8	-165.9	178.4	-163	178.9	7.2	112.6	N507 Q508 R509 V515	N507-R511 VanDerWaalsContact O-CB 3.24Å; N507-R511 WeakPolarHBondContact O-CB 3.41Å; N507-R511 PolarHBondContact O-N 3.06Å; Q508-R511 PolarHBondContact O-N 2.9Å; R509-R511 VanDerWaalsContact C-N 3.28Å; R509-R511 PolarHBondContact O-N 2.58Å; R511-V515 VanDerWaalsContact O-CG2 3.29Å; R511-V515 WeakPolarHBondContact O-CG2 3.28Å; R511-V515 PolarHBondContact O-N 2.95Å; R511-V515 VanDerWaalsContact O-N 3.07Å
512	A	94.7	Very high	89	Confident	50 Å²	50	96.8 Å²	96.8	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-67.6	-44.4	176.2	0	0	0	0	0	111.9	Q508 R509 V515 Q516	Q508-A512 WeakPolarHBondContact O-CB 3.29Å; Q508-A512 PolarHBondContact O-N 2.92Å; R509-A512 PolarHBondContact O-N 3.3Å; R509-A512 VanDerWaalsContact O-N 3.1Å; A512-V515 PolarHBondContact O-N 3.34Å; A512-Q516 WeakPolarHBondContact O-CG 3.39Å; A512-Q516 PolarHBondContact O-N 2.93Å
513	L	93.5	Very high	89.3	Confident	69 Å²	69	99.4 Å²	99.4	36%	0.361	51%	0.509	S	S	.	.	H	α-helix	trans	-62.7	-43.7	175	-70.7	173.4	0	0	0	111.6	R509 V515 Q516 Q517	R509-L513 HydrophobicContact CG-CD1 3.96Å; R509-L513 HydrophobicContact CG-CG 4.33Å; R509-L513 WeakPolarHBondContact O-CB 3.5Å; R509-L513 WeakPolarHBondContact O-CG 3.24Å; R509-L513 PolarHBondContact O-N 3.04Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.94Å; L513-Q516 PolarHBondContact O-N 3.02Å; L513-Q517 WeakPolarHBondContact O-CB 3.44Å; L513-Q517 VanDerWaalsContact O-CG 3.3Å; L513-Q517 WeakPolarHBondContact O-CG 3.45Å; L513-Q517 PolarHBondContact O-N 2.85Å
514	S	87.9	Confident	89.7	Confident	72 Å²	72	101.7 Å²	101.7	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-35.7	175.3	173.9	0	0	0	0	112.4	N510 A518	N510-S514 WeakPolarHBondContact O-CB 3.45Å; N510-S514 PolarHBondContact O-N 3.45Å; S514-A518 VanDerWaalsContact O-CB 3.28Å; S514-A518 WeakPolarHBondContact O-CB 3.42Å; S514-A518 PolarHBondContact O-N 3.02Å
515	V	92.7	Very high	89.7	Confident	87 Å²	87	105.2 Å²	105.2	53%	0.527	53%	0.528	S	S	.	.	H	α-helix	trans	-70.1	-43.1	173	169.2	0	0	0	0	111.5	R511 A512 L513 A518 E519	R511-V515 VanDerWaalsContact O-CG2 3.29Å; R511-V515 WeakPolarHBondContact O-CG2 3.28Å; R511-V515 PolarHBondContact O-N 2.95Å; R511-V515 VanDerWaalsContact O-N 3.07Å; A512-V515 PolarHBondContact O-N 3.34Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.94Å; V515-A518 PolarHBondContact O-N 3.49Å; V515-E519 WeakPolarHBondContact O-CB 3.37Å; V515-E519 PolarHBondContact O-N 3.17Å
516	Q	92.6	Very high	89.5	Confident	116 Å²	116	104.3 Å²	104.3	54%	0.542	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-43	177.8	-75.2	178.3	-35.2	0	0	112.4	A512 L513 A518 E519 E520	A512-Q516 WeakPolarHBondContact O-CG 3.39Å; A512-Q516 PolarHBondContact O-N 2.93Å; L513-Q516 PolarHBondContact O-N 3.02Å; Q516-A518 VanDerWaalsContact C-N 3.33Å; Q516-A518 PolarHBondContact O-N 3.36Å; Q516-E519 PolarHBondContact O-N 3.41Å; Q516-E520 WeakPolarHBondContact O-CB 3.32Å; Q516-E520 PolarHBondContact O-N 3.04Å
517	Q	91.2	Very high	89.7	Confident	128 Å²	128	105.3 Å²	105.3	60%	0.598	53%	0.525	S	S	*	.	H	α-helix	trans	-63.9	-38	174.8	-74	174	-20.4	0	0	111.5	L513 A521	L513-Q517 WeakPolarHBondContact O-CB 3.44Å; L513-Q517 VanDerWaalsContact O-CG 3.3Å; L513-Q517 WeakPolarHBondContact O-CG 3.45Å; L513-Q517 PolarHBondContact O-N 2.85Å; Q517-A521 WeakPolarHBondContact O-CB 3.46Å; Q517-A521 PolarHBondContact O-N 3.03Å
518	A	89.8	Confident	89.5	Confident	48 Å²	48	106.3 Å²	106.3	40%	0.397	53%	0.527	S	S	.	.	H	α-helix	trans	-66.9	-40.8	173.2	0	0	0	0	0	112.1	S514 V515 Q516 I522	S514-A518 VanDerWaalsContact O-CB 3.28Å; S514-A518 WeakPolarHBondContact O-CB 3.42Å; S514-A518 PolarHBondContact O-N 3.02Å; V515-A518 PolarHBondContact O-N 3.49Å; Q516-A518 VanDerWaalsContact C-N 3.33Å; Q516-A518 PolarHBondContact O-N 3.36Å; A518-I522 WeakPolarHBondContact O-CB 3.47Å; A518-I522 WeakPolarHBondContact O-CD1 3.38Å; A518-I522 WeakPolarHBondContact O-CG1 3.25Å; A518-I522 PolarHBondContact O-N 3.3Å
519	E	90	Very high	89	Confident	135 Å²	135	102.9 Å²	102.9	63%	0.631	52%	0.522	S	S	*	.	H	α-helix	trans	-65.7	-42.6	176.2	-175.7	172.3	-166.9	0	0	112	V515 Q516 R523	V515-E519 WeakPolarHBondContact O-CB 3.37Å; V515-E519 PolarHBondContact O-N 3.17Å; Q516-E519 PolarHBondContact O-N 3.41Å; E519-R523 WeakPolarHBondContact O-CB 3.47Å; E519-R523 PolarHBondContact O-N 3.16Å
520	E	91.4	Very high	88.5	Confident	113 Å²	113	101.4 Å²	101.4	53%	0.528	53%	0.527	S	S	.	.	H	α-helix	trans	-68.5	-39.9	176.1	-178.4	163.8	-140.5	0	0	112.3	Q516 R523 K524	Q516-E520 WeakPolarHBondContact O-CB 3.32Å; Q516-E520 PolarHBondContact O-N 3.04Å; E520-R523 PolarHBondContact O-N 3.34Å; E520-R523 IonicContact OE1-NH2 3.65Å; E520-R523 PolarHBondContact OE1-NH2 2.97Å; E520-K524 VanDerWaalsContact O-CB 3.31Å; E520-K524 WeakPolarHBondContact O-CB 3.01Å; E520-K524 PolarHBondContact O-N 3.41Å
521	A	89.3	Confident	88	Confident	57 Å²	57	103.6 Å²	103.6	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-62.9	-46.5	173.5	0	0	0	0	0	111.6	Q517 R523 K524 E525	Q517-A521 WeakPolarHBondContact O-CB 3.46Å; Q517-A521 PolarHBondContact O-N 3.03Å; A521-R523 VanDerWaalsContact C-N 3.34Å; A521-R523 PolarHBondContact O-N 3.05Å; A521-K524 PolarHBondContact O-N 3.39Å; A521-E525 VanDerWaalsContact O-CB 3.26Å; A521-E525 WeakPolarHBondContact O-CB 3.27Å; A521-E525 PolarHBondContact O-N 3.38Å
522	I	87.2	Confident	87.2	Confident	109 Å²	109	97.3 Å²	97.3	56%	0.559	53%	0.525	S	S	*	.	H	α-helix	trans	-62.1	-41.5	175.7	-70.3	163.6	0	0	0	111	A518 S526	A518-I522 WeakPolarHBondContact O-CB 3.47Å; A518-I522 WeakPolarHBondContact O-CD1 3.38Å; A518-I522 WeakPolarHBondContact O-CG1 3.25Å; A518-I522 PolarHBondContact O-N 3.3Å; I522-S526 WeakPolarHBondContact O-CB 3.45Å; I522-S526 PolarHBondContact O-N 2.88Å; I522-S526 PolarHBondContact O-OG 3.5Å
523	R	87.2	Confident	86	Confident	134 Å²	134	105.1 Å²	105.1	51%	0.506	55%	0.55	S	S	.	.	H	α-helix	trans	-61.8	-49.4	176.1	-175.7	-173.8	64.2	-174.7	-5.6	110.5	E519 E520 A521 S526 E527	E519-R523 WeakPolarHBondContact O-CB 3.47Å; E519-R523 PolarHBondContact O-N 3.16Å; E520-R523 PolarHBondContact O-N 3.34Å; E520-R523 IonicContact OE1-NH2 3.65Å; E520-R523 PolarHBondContact OE1-NH2 2.97Å; A521-R523 VanDerWaalsContact C-N 3.34Å; A521-R523 PolarHBondContact O-N 3.05Å; R523-S526 PolarHBondContact O-N 3.33Å; R523-S526 VanDerWaalsContact O-N 3.16Å; R523-S526 PolarHBondContact O-OG 3.31Å; R523-E527 WeakPolarHBondContact CD-OE1 3.21Å; R523-E527 VanDerWaalsContact CG-OE1 3.29Å; R523-E527 WeakPolarHBondContact CG-OE1 3.44Å; R523-E527 IonicContact NE-OE1 3.15Å; R523-E527 WeakPolarHBondContact O-CG 3.47Å; R523-E527 PolarHBondContact O-N 3.07Å
524	K	89.1	Confident	85.1	Confident	117 Å²	117	109.9 Å²	109.9	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-45.1	179.6	-178.1	175.1	169.7	179.9	0	111.9	E520 A521 S526 E527 E528	E520-K524 VanDerWaalsContact O-CB 3.31Å; E520-K524 WeakPolarHBondContact O-CB 3.01Å; E520-K524 PolarHBondContact O-N 3.41Å; A521-K524 PolarHBondContact O-N 3.39Å; K524-S526 VanDerWaalsContact C-N 3.27Å; K524-S526 PolarHBondContact O-N 3.43Å; K524-E527 PolarHBondContact O-N 3.19Å; K524-E527 VanDerWaalsContact O-N 3.16Å; K524-E528 WeakPolarHBondContact CE-OE1 3.3Å; K524-E528 HydrophobicContact CG-CG 4.37Å; K524-E528 IonicContact NZ-OE1 3.72Å; K524-E528 WeakPolarHBondContact O-CB 3.39Å; K524-E528 WeakPolarHBondContact O-CG 3.28Å; K524-E528 PolarHBondContact O-N 3.17Å
525	E	84.4	Confident	84.2	Confident	133 Å²	133	115.1 Å²	115.1	62%	0.621	59%	0.586	S	S	*	*	H	α-helix	trans	-57.9	-40	173.4	-175.2	-178.9	-173.4	0	0	111.1	A521 A529	A521-E525 VanDerWaalsContact O-CB 3.26Å; A521-E525 WeakPolarHBondContact O-CB 3.27Å; A521-E525 PolarHBondContact O-N 3.38Å; E525-A529 WeakPolarHBondContact O-CB 3.37Å; E525-A529 PolarHBondContact O-N 3.3Å
526	S	83.9	Confident	83.4	Confident	56 Å²	56	114.7 Å²	114.7	39%	0.392	58%	0.581	S	S	.	*	H	α-helix	trans	-70.4	-35.3	175.7	76.9	0	0	0	0	113.8	I522 R523 K524 L530	I522-S526 WeakPolarHBondContact O-CB 3.45Å; I522-S526 PolarHBondContact O-N 2.88Å; I522-S526 PolarHBondContact O-OG 3.5Å; R523-S526 PolarHBondContact O-N 3.33Å; R523-S526 VanDerWaalsContact O-N 3.16Å; R523-S526 PolarHBondContact O-OG 3.31Å; K524-S526 VanDerWaalsContact C-N 3.27Å; K524-S526 PolarHBondContact O-N 3.43Å; S526-L530 WeakPolarHBondContact O-CB 3.5Å; S526-L530 WeakPolarHBondContact O-CD1 3.06Å; S526-L530 WeakPolarHBondContact O-CG 3.4Å; S526-L530 PolarHBondContact O-N 2.71Å; S526-L530 VanDerWaalsContact O-N 3.1Å
527	E	87.7	Confident	82.8	Confident	97 Å²	97	114.7 Å²	114.7	45%	0.453	59%	0.591	S	S	.	*	H	α-helix	trans	-71.3	-39.6	175.2	-72.9	170.1	-169.5	0	0	111.2	R523 K524 L530 N531	R523-E527 WeakPolarHBondContact CD-OE1 3.21Å; R523-E527 VanDerWaalsContact CG-OE1 3.29Å; R523-E527 WeakPolarHBondContact CG-OE1 3.44Å; R523-E527 IonicContact NE-OE1 3.15Å; R523-E527 WeakPolarHBondContact O-CG 3.47Å; R523-E527 PolarHBondContact O-N 3.07Å; K524-E527 PolarHBondContact O-N 3.19Å; K524-E527 VanDerWaalsContact O-N 3.16Å; E527-L530 PolarHBondContact O-N 2.88Å; E527-N531 WeakPolarHBondContact O-CB 3.2Å; E527-N531 VanDerWaalsContact O-CG 3.27Å; E527-N531 PolarHBondContact O-N 2.86Å
528	E	83.6	Confident	82.2	Confident	108 Å²	108	117 Å²	117	51%	0.505	60%	0.599	S	S	.	*	H	α-helix	trans	-66.3	-45.4	174.7	-73.2	175.4	168.3	0	0	111.1	K524 L530 N531 S532	K524-E528 WeakPolarHBondContact CE-OE1 3.3Å; K524-E528 HydrophobicContact CG-CG 4.37Å; K524-E528 IonicContact NZ-OE1 3.72Å; K524-E528 WeakPolarHBondContact O-CB 3.39Å; K524-E528 WeakPolarHBondContact O-CG 3.28Å; K524-E528 PolarHBondContact O-N 3.17Å; E528-L530 VanDerWaalsContact C-N 3.28Å; E528-L530 PolarHBondContact O-N 2.9Å; E528-N531 PolarHBondContact O-N 2.84Å; E528-N531 VanDerWaalsContact O-N 3.15Å; E528-S532 WeakPolarHBondContact O-CB 3.26Å; E528-S532 PolarHBondContact O-N 2.77Å; E528-S532 PolarHBondContact O-OG 3.06Å
529	A	80.2	Confident	81.6	Confident	68 Å²	68	118.6 Å²	118.6	56%	0.562	61%	0.605	S	S	*	*	H	α-helix	trans	-65.7	-24.6	175.8	0	0	0	0	0	114.1	E525	E525-A529 WeakPolarHBondContact O-CB 3.37Å; E525-A529 PolarHBondContact O-N 3.3Å
530	L	81.2	Confident	81.3	Confident	146 Å²	146	122.7 Å²	122.7	76%	0.764	61%	0.614	S	S	*	*	H	α-helix	trans	-81.8	-31.1	172.4	-74.9	169.8	0	0	0	112.6	S526 E527 E528	S526-L530 WeakPolarHBondContact O-CB 3.5Å; S526-L530 WeakPolarHBondContact O-CD1 3.06Å; S526-L530 WeakPolarHBondContact O-CG 3.4Å; S526-L530 PolarHBondContact O-N 2.71Å; S526-L530 VanDerWaalsContact O-N 3.1Å; E527-L530 PolarHBondContact O-N 2.88Å; E528-L530 VanDerWaalsContact C-N 3.28Å; E528-L530 PolarHBondContact O-N 2.9Å
531	N	80	Confident	80.8	Confident	135 Å²	135	123.4 Å²	123.4	72%	0.722	63%	0.626	S	S	*	*	H	α-helix	trans	-87.8	-28.2	-178.3	-74.1	-9.6	0	0	0	113.2	E527 E528 K533	E527-N531 WeakPolarHBondContact O-CB 3.2Å; E527-N531 VanDerWaalsContact O-CG 3.27Å; E527-N531 PolarHBondContact O-N 2.86Å; E528-N531 PolarHBondContact O-N 2.84Å; E528-N531 VanDerWaalsContact O-N 3.15Å; N531-K533 PolarHBondContact O-N 2.84Å
532	S	73.6	Confident	80.5	Confident	65 Å²	65	129.4 Å²	129.4	46%	0.455	64%	0.644	S	S	.	*			trans	-72.5	116.6	176	58.2	0	0	0	0	111	E528	E528-S532 WeakPolarHBondContact O-CB 3.26Å; E528-S532 PolarHBondContact O-N 2.77Å; E528-S532 PolarHBondContact O-OG 3.06Å
533	K	68.6	Low	80.3	Confident	215 Å²	215	129.2 Å²	129.2	94%	0.935	65%	0.652	S	S	*	*			trans	-85.1	5.1	166.7	-75.6	-178.2	175.5	176	0	113.3	N531	N531-K533 PolarHBondContact O-N 2.84Å
534	E	74.9	Confident	80.2	Confident	168 Å²	168	130.8 Å²	130.8	79%	0.785	67%	0.665	S	S	*	*	S	Bend	trans	-89.8	135.7	-179.5	-166.5	160.8	-162.3	0	0	109.3	D536	E534-D536 PolarHBondContact O-N 2.76Å
535	E	68.7	Low	79.9	Confident	183 Å²	183	131 Å²	131	86%	0.855	68%	0.679	S	S	*	*			trans	-72	111.4	-177.5	-64.2	-176.7	162.9	0	0	109.7
536	D	76.6	Confident	79.7	Confident	77 Å²	77	128.4 Å²	128.4	41%	0.412	67%	0.672	S	S	.	*			trans	-57.6	122.7	-179.2	157.8	31.9	0	0	0	110.8	E534 F538 T539	E534-D536 PolarHBondContact O-N 2.76Å; D536-F538 PolarHBondContact O-N 2.83Å; D536-F538 VanDerWaalsContact O-N 3.08Å; D536-F538 WeakPolarHBondContact OD1-CB 3.16Å; D536-F538 PolarHBondContact OD1-N 2.86Å; D536-T539 HydrophobicContact CB-CG2 3.8Å; D536-T539 WeakPolarHBondContact O-CB 3.24Å; D536-T539 PolarHBondContact O-N 2.76Å; D536-T539 PolarHBondContact O-OG1 3.49Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.45Å; D536-T539 PolarHBondContact OD2-N 3.36Å
537	P	80.4	Confident	79.6	Confident	116 Å²	116	132.8 Å²	132.8	75%	0.753	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	-13.4	-177.5	27.9	-36.8	0	0	0	114.1
538	F	78.2	Confident	79.2	Confident	176 Å²	176	132.7 Å²	132.7	77%	0.772	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.6	-6.2	173	-57.5	-74.8	0	0	0	113.4	D536 R540	D536-F538 PolarHBondContact O-N 2.83Å; D536-F538 VanDerWaalsContact O-N 3.08Å; D536-F538 WeakPolarHBondContact OD1-CB 3.16Å; D536-F538 PolarHBondContact OD1-N 2.86Å; F538-R540 PolarHBondContact O-N 3.12Å
539	T	78.2	Confident	79.2	Confident	83 Å²	83	131 Å²	131	51%	0.509	69%	0.692	S	S	.	*	S	Bend	trans	-62.4	127.4	170.3	55.5	0	0	0	0	110.4	D536 V541	D536-T539 HydrophobicContact CB-CG2 3.8Å; D536-T539 WeakPolarHBondContact O-CB 3.24Å; D536-T539 PolarHBondContact O-N 2.76Å; D536-T539 PolarHBondContact O-OG1 3.49Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.45Å; D536-T539 PolarHBondContact OD2-N 3.36Å; T539-V541 PolarHBondContact O-N 3.2Å
540	R	83.8	Confident	79.3	Confident	221 Å²	221	136.3 Å²	136.3	83%	0.834	70%	0.703	S	S	*	*			trans	-72.2	106.9	179.7	-176.8	176.9	-111.3	-121.3	-1.7	109.6	F538 H542	F538-R540 PolarHBondContact O-N 3.12Å; R540-H542 PolarHBondContact O-CE1 2.87Å; R540-H542 PolarHBondContact O-N 3.1Å; R540-H542 VanDerWaalsContact O-N 3.16Å; R540-H542 PolarHBondContact O-ND1 2.96Å
541	V	79.8	Confident	79.3	Confident	127 Å²	127	136.5 Å²	136.5	77%	0.77	70%	0.697	S	S	*	*			trans	-52.3	120.6	171.7	-176.8	0	0	0	0	109.8	T539 S543	T539-V541 PolarHBondContact O-N 3.2Å; V541-S543 PolarHBondContact O-N 2.84Å
542	H	84.4	Confident	79.5	Confident	184 Å²	184	134.2 Å²	134.2	85%	0.852	68%	0.679	S	S	*	*			trans	-80.3	100.1	-179	-71.8	52.3	0	0	0	109.7	R540	R540-H542 PolarHBondContact O-CE1 2.87Å; R540-H542 PolarHBondContact O-N 3.1Å; R540-H542 VanDerWaalsContact O-N 3.16Å; R540-H542 PolarHBondContact O-ND1 2.96Å
543	S	82.2	Confident	79.8	Confident	105 Å²	105	135.5 Å²	135.5	73%	0.734	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-94.8	135	174.3	52.5	0	0	0	0	111.8	V541	V541-S543 PolarHBondContact O-N 2.84Å
544	Q	84.6	Confident	80.3	Confident	167 Å²	167	130.6 Å²	130.6	78%	0.78	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-80.2	137.5	169.5	-68.1	-67.6	-15.9	0	0	109.7	V546	Q544-V546 PolarHBondContact O-N 2.75Å
545	P	84	Confident	80.7	Confident	121 Å²	121	127 Å²	127	79%	0.786	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-68.4	119.4	174.9	28	-32.9	0	0	0	110.3
546	V	79.4	Confident	81.3	Confident	79 Å²	79	121.8 Å²	121.8	48%	0.479	63%	0.625	S	S	.	*			trans	-105	125.8	176.7	-179	0	0	0	0	109.9	Q544 V548 Y552	Q544-V546 PolarHBondContact O-N 2.75Å; V546-V548 PolarHBondContact O-N 3.36Å; V546-Y552 HydrophobicContact CG1-CD1 4.42Å; V546-Y552 HydrophobicContact CG1-CD2 4Å; V546-Y552 HydrophobicContact CG1-CE1 4.11Å; V546-Y552 HydrophobicContact CG1-CE2 3.66Å; V546-Y552 HydrophobicContact CG1-CG 4.37Å
547	I	81	Confident	81.4	Confident	147 Å²	147	126.7 Å²	126.7	75%	0.754	64%	0.637	S	S	*	*			trans	-69.7	117.8	175.2	-59.4	175.3	0	0	0	109.2	T549	I547-T549 HydrophobicContact CG2-CG2 4.35Å; I547-T549 PolarHBondContact O-N 2.72Å
548	V	80.8	Confident	81.3	Confident	95 Å²	95	126.1 Å²	126.1	58%	0.576	62%	0.624	S	S	*	*			trans	-75.9	85.2	-177.9	-174.6	0	0	0	0	110.4	V546 L553	V546-V548 PolarHBondContact O-N 3.36Å; V548-L553 HydrophobicContact CG1-CD1 3.67Å; V548-L553 HydrophobicContact CG1-CD2 3.57Å; V548-L553 HydrophobicContact CG1-CG 3.47Å; V548-L553 VanDerWaalsContact CG1-CG 3.47Å
549	T	83.3	Confident	81.4	Confident	74 Å²	74	126.8 Å²	126.8	45%	0.454	63%	0.627	S	S	.	*			trans	-81.4	155.4	169.5	62.2	0	0	0	0	111	I547 K551 Y552 L553	I547-T549 HydrophobicContact CG2-CG2 4.35Å; I547-T549 PolarHBondContact O-N 2.72Å; T549-K551 PolarHBondContact O-N 2.78Å; T549-Y552 WeakPolarHBondContact O-CA 3.32Å; T549-Y552 WeakPolarHBondContact O-CB 3.39Å; T549-Y552 PolarHBondContact O-N 2.89Å; T549-Y552 WeakPolarHBondContact OG1-CB 3.45Å; T549-Y552 PolarHBondContact OG1-N 2.8Å; T549-L553 PolarHBondContact O-N 2.89Å
550	K	82.2	Confident	81.4	Confident	178 Å²	178	133.7 Å²	133.7	77%	0.774	64%	0.644	S	S	*	*	H	α-helix	trans	-53.2	-41.9	174.3	-80.3	-173.8	175.4	-179.4	0	112.1	Y552 L553 E554	K550-Y552 VanDerWaalsContact C-N 3.35Å; K550-Y552 PolarHBondContact O-N 3.13Å; K550-L553 PolarHBondContact O-N 2.97Å; K550-E554 PolarHBondContact O-N 3.48Å
551	K	81.8	Confident	80.8	Confident	151 Å²	151	128.4 Å²	128.4	66%	0.657	63%	0.632	S	S	*	*	H	α-helix	trans	-63.8	-35.3	175.8	-169.7	175.8	-176.8	178.3	0	112.9	T549 N555	T549-K551 PolarHBondContact O-N 2.78Å; K551-N555 WeakPolarHBondContact O-CB 3.36Å; K551-N555 VanDerWaalsContact O-CG 3.27Å; K551-N555 PolarHBondContact O-N 3.47Å
552	Y	82.7	Confident	80	Confident	87 Å²	87	125.1 Å²	125.1	34%	0.341	62%	0.624	S	S	.	*	H	α-helix	trans	-66.8	-42.8	172.7	179.6	-98.2	0	0	0	111.6	V546 T549 K550 N555 L556	V546-Y552 HydrophobicContact CG1-CD1 4.42Å; V546-Y552 HydrophobicContact CG1-CD2 4Å; V546-Y552 HydrophobicContact CG1-CE1 4.11Å; V546-Y552 HydrophobicContact CG1-CE2 3.66Å; V546-Y552 HydrophobicContact CG1-CG 4.37Å; T549-Y552 WeakPolarHBondContact O-CA 3.32Å; T549-Y552 WeakPolarHBondContact O-CB 3.39Å; T549-Y552 PolarHBondContact O-N 2.89Å; T549-Y552 WeakPolarHBondContact OG1-CB 3.45Å; T549-Y552 PolarHBondContact OG1-N 2.8Å; K550-Y552 VanDerWaalsContact C-N 3.35Å; K550-Y552 PolarHBondContact O-N 3.13Å; Y552-N555 PolarHBondContact O-N 3.12Å; Y552-L556 HydrophobicContact CD1-CD1 4.49Å; Y552-L556 HydrophobicContact CE1-CD1 3.89Å; Y552-L556 HydrophobicContact CE1-CD2 4.02Å; Y552-L556 HydrophobicContact CE2-CD1 3.93Å; Y552-L556 PolarHBondContact O-N 3.15Å
553	L	80	Confident	78.6	Confident	91 Å²	91	121.2 Å²	121.2	48%	0.476	61%	0.612	S	S	.	*	H	α-helix	trans	-64.2	-41.8	174.4	-71.2	175.2	0	0	0	112.5	V548 T549 K550 L556 R557	V548-L553 HydrophobicContact CG1-CD1 3.67Å; V548-L553 HydrophobicContact CG1-CD2 3.57Å; V548-L553 HydrophobicContact CG1-CG 3.47Å; V548-L553 VanDerWaalsContact CG1-CG 3.47Å; T549-L553 PolarHBondContact O-N 2.89Å; K550-L553 PolarHBondContact O-N 2.97Å; L553-L556 PolarHBondContact O-N 3.45Å; L553-R557 VanDerWaalsContact O-CB 3.27Å; L553-R557 WeakPolarHBondContact O-CB 3.38Å; L553-R557 PolarHBondContact O-N 2.81Å
554	E	79.9	Confident	77.1	Confident	112 Å²	112	121.6 Å²	121.6	52%	0.523	61%	0.61	S	S	.	*	H	α-helix	trans	-61.5	-47.5	173.2	-77.1	173.4	156.4	0	0	111	K550 L556 R557 H558	K550-E554 PolarHBondContact O-N 3.48Å; E554-L556 VanDerWaalsContact C-N 3.34Å; E554-L556 PolarHBondContact O-N 2.97Å; E554-R557 CarbonylContact O-C 3.53Å; E554-R557 WeakPolarHBondContact O-CA 3.16Å; E554-R557 WeakPolarHBondContact O-CB 3.26Å; E554-R557 PolarHBondContact O-N 3.01Å; E554-H558 PolarHBondContact O-CD2 2.76Å; E554-H558 PolarHBondContact O-N 3.23Å
555	N	82.9	Confident	75.4	Confident	93 Å²	93	118 Å²	118	50%	0.497	61%	0.609	S	S	.	*	H	α-helix	trans	-59.1	-42.6	175.2	-77.5	-9.2	0	0	0	112.2	K551 Y552 R557 H558 K559	K551-N555 WeakPolarHBondContact O-CB 3.36Å; K551-N555 VanDerWaalsContact O-CG 3.27Å; K551-N555 PolarHBondContact O-N 3.47Å; Y552-N555 PolarHBondContact O-N 3.12Å; N555-R557 VanDerWaalsContact C-N 3.32Å; N555-R557 PolarHBondContact O-N 2.91Å; N555-H558 PolarHBondContact O-N 3.4Å; N555-K559 WeakPolarHBondContact O-CB 3.47Å; N555-K559 PolarHBondContact O-N 3.07Å
556	L	80.4	Confident	73.5	Confident	74 Å²	74	120.6 Å²	120.6	39%	0.387	61%	0.61	S	S	.	*	H	α-helix	trans	-63.1	-38.1	173.5	-115.6	67.8	0	0	0	112.1	Y552 L553 E554 K559 R560	Y552-L556 HydrophobicContact CD1-CD1 4.49Å; Y552-L556 HydrophobicContact CE1-CD1 3.89Å; Y552-L556 HydrophobicContact CE1-CD2 4.02Å; Y552-L556 HydrophobicContact CE2-CD1 3.93Å; Y552-L556 PolarHBondContact O-N 3.15Å; L553-L556 PolarHBondContact O-N 3.45Å; E554-L556 VanDerWaalsContact C-N 3.34Å; E554-L556 PolarHBondContact O-N 2.97Å; L556-K559 PolarHBondContact O-N 3.3Å; L556-R560 WeakPolarHBondContact O-CB 3.43Å; L556-R560 PolarHBondContact O-N 3.24Å
557	R	80.3	Confident	71.8	Confident	179 Å²	179	122.1 Å²	122.1	68%	0.675	62%	0.624	S	S	*	*	H	α-helix	trans	-69.7	-41.8	178	-166.4	179.2	-175	175.7	2.2	111.5	L553 E554 N555 R560 L561	L553-R557 VanDerWaalsContact O-CB 3.27Å; L553-R557 WeakPolarHBondContact O-CB 3.38Å; L553-R557 PolarHBondContact O-N 2.81Å; E554-R557 CarbonylContact O-C 3.53Å; E554-R557 WeakPolarHBondContact O-CA 3.16Å; E554-R557 WeakPolarHBondContact O-CB 3.26Å; E554-R557 PolarHBondContact O-N 3.01Å; N555-R557 VanDerWaalsContact C-N 3.32Å; N555-R557 PolarHBondContact O-N 2.91Å; R557-R560 PolarHBondContact O-N 2.77Å; R557-L561 HydrophobicContact CG-CD1 3.8Å; R557-L561 HydrophobicContact CG-CG 4.36Å; R557-L561 VanDerWaalsContact O-CB 3.3Å; R557-L561 WeakPolarHBondContact O-CB 3.49Å; R557-L561 VanDerWaalsContact O-CG 3.29Å; R557-L561 WeakPolarHBondContact O-CG 3.12Å; R557-L561 PolarHBondContact O-N 2.83Å
558	H	77.1	Confident	69.9	Low	104 Å²	104	122.4 Å²	122.4	48%	0.481	63%	0.628	S	S	.	*	H	α-helix	trans	-63.7	-41.2	172.1	-72.1	-65	0	0	0	111.5	E554 N555 R560 L561 G562	E554-H558 PolarHBondContact O-CD2 2.76Å; E554-H558 PolarHBondContact O-N 3.23Å; N555-H558 PolarHBondContact O-N 3.4Å; H558-R560 VanDerWaalsContact C-N 3.32Å; H558-R560 PolarHBondContact O-N 3.42Å; H558-L561 PolarHBondContact O-N 3.41Å; H558-G562 PolarHBondContact O-N 3.36Å
559	K	81	Confident	68	Low	191 Å²	191	125.1 Å²	125.1	83%	0.83	64%	0.644	S	S	*	*	H	α-helix	trans	-63.5	-34	173.7	-126.4	178.6	-177.6	-176.7	0	113	N555 L556	N555-K559 WeakPolarHBondContact O-CB 3.47Å; N555-K559 PolarHBondContact O-N 3.07Å; L556-K559 PolarHBondContact O-N 3.3Å
560	R	76.8	Confident	66	Low	227 Å²	227	126.2 Å²	126.2	86%	0.857	66%	0.655	S	S	*	*	H	α-helix	trans	-77.6	-31.7	173.8	-84.4	-174.2	170.4	179.7	-2.5	114.2	L556 R557 H558	L556-R560 WeakPolarHBondContact O-CB 3.43Å; L556-R560 PolarHBondContact O-N 3.24Å; R557-R560 PolarHBondContact O-N 2.77Å; H558-R560 VanDerWaalsContact C-N 3.32Å; H558-R560 PolarHBondContact O-N 3.42Å
561	L	72.1	Confident	63.9	Low	111 Å²	111	123.7 Å²	123.7	58%	0.581	66%	0.655	S	S	*	*	H	α-helix	trans	-92.1	-8.1	-176.1	-70.4	175.4	0	0	0	114.1	R557 H558 V563	R557-L561 HydrophobicContact CG-CD1 3.8Å; R557-L561 HydrophobicContact CG-CG 4.36Å; R557-L561 VanDerWaalsContact O-CB 3.3Å; R557-L561 WeakPolarHBondContact O-CB 3.49Å; R557-L561 VanDerWaalsContact O-CG 3.29Å; R557-L561 WeakPolarHBondContact O-CG 3.12Å; R557-L561 PolarHBondContact O-N 2.83Å; H558-L561 PolarHBondContact O-N 3.41Å; L561-V563 HydrophobicContact CB-CG2 4.23Å; L561-V563 PolarHBondContact O-N 3.05Å
562	G	63.2	Low	61.9	Low	58 Å²	58	122.1 Å²	122.1	60%	0.598	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	12.6	172.4	0	0	0	0	0	115.6	H558 V564	H558-G562 PolarHBondContact O-N 3.36Å; G562-V564 PolarHBondContact O-N 3.29Å
563	V	55.3	Low	59.7	Low	101 Å²	101	124.9 Å²	124.9	61%	0.612	68%	0.682	S	S	*	*			trans	-75.4	98.8	-177	-176.3	0	0	0	0	109.9	L561 A565	L561-V563 HydrophobicContact CB-CG2 4.23Å; L561-V563 PolarHBondContact O-N 3.05Å; V563-A565 PolarHBondContact O-N 2.85Å; V563-A565 VanDerWaalsContact O-N 3.16Å
564	V	50.2	Low	57.8	Low	114 Å²	114	128 Å²	128	69%	0.691	70%	0.699	S	S	*	*			trans	-76.7	95.8	175.8	-175	0	0	0	0	109.7	G562 Q566	G562-V564 PolarHBondContact O-N 3.29Å; V564-Q566 HydrophobicContact CG1-CG 3.85Å; V564-Q566 PolarHBondContact O-N 3.14Å; V564-Q566 VanDerWaalsContact O-N 3.15Å
565	A	49.7	Very low	56	Low	91 Å²	91	129 Å²	129	75%	0.752	71%	0.708	S	S	*	*			trans	-74.4	98	166.3	0	0	0	0	0	109.4	V563 S567	V563-A565 PolarHBondContact O-N 2.85Å; V563-A565 VanDerWaalsContact O-N 3.16Å; A565-S567 PolarHBondContact O-N 3.44Å
566	Q	43.6	Very low	54	Low	175 Å²	175	133.4 Å²	133.4	82%	0.818	73%	0.725	S	S	*	*			trans	-78.8	110.8	174	-62.4	-176.2	5.9	0	0	110.1	V564	V564-Q566 HydrophobicContact CG1-CG 3.85Å; V564-Q566 PolarHBondContact O-N 3.14Å; V564-Q566 VanDerWaalsContact O-N 3.15Å
567	S	44.5	Very low	52.1	Low	111 Å²	111	134.6 Å²	134.6	78%	0.776	74%	0.74	S	S	*	*			trans	-137.8	103.7	162.3	60.7	0	0	0	0	109.5	A565	A565-S567 PolarHBondContact O-N 3.44Å
568	N	40	Very low	50.4	Low	154 Å²	154	134.3 Å²	134.3	82%	0.824	75%	0.751	S	S	*	*			trans	-65.4	136.4	174.2	-61.7	-34.4	0	0	0	110.4
569	T	41.4	Very low	49.4	Very low	151 Å²	151	135 Å²	135	93%	0.926	76%	0.764	S	S	*	*				-170.6	153.9	128.1	29.1	0	0	0	0	110
570	S	40.4	Very low	48.2	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	76%	0.761	S	S	*	*			trans	-96	165.7	-166.4	53.7	0	0	0	0	115
571	T	38.7	Very low	47.6	Very low	126 Å²	126	126.6 Å²	126.6	77%	0.773	76%	0.759	S	S	*	*			trans	77.3	158	146.2	40.1	0	0	0	0	121.7
572	C	38.7	Very low	46.7	Very low	118 Å²	118	127.4 Å²	127.4	80%	0.797	77%	0.77	S	S	*	*			trans	72.4	104.9	169	26.8	0	0	0	0	122
573	D	37.9	Very low	46	Very low	145 Å²	145	130.5 Å²	130.5	78%	0.775	78%	0.778	S	S	*	*			trans	-23.7	153.1	147.6	-58.3	-76.2	0	0	0	119.6
574	L	39.5	Very low	46.1	Very low	157 Å²	157	131.6 Å²	131.6	82%	0.822	79%	0.787	S	S	*	*				-165.1	120	110	-126.4	81.9	0	0	0	115.1
575	N	41.7	Very low	45.8	Very low	133 Å²	133	133.3 Å²	133.3	71%	0.711	79%	0.793	S	S	*	*			trans	27.5	130.6	141.1	-64.7	-25	0	0	0	124.1
576	Q	42.1	Very low	45.8	Very low	185 Å²	185	134.9 Å²	134.9	86%	0.864	80%	0.798	S	S	*	*				168.3	107.8	111.2	-89.7	174.6	36.9	0	0	109.2
577	S	40.5	Very low	45.6	Very low	99 Å²	99	135.7 Å²	135.7	69%	0.692	80%	0.802	S	S	*	*				90.5	108.9	62.5	70.4	0	0	0	0	115.2
578	L	43.6	Very low	45.6	Very low	173 Å²	173	139.1 Å²	139.1	91%	0.906	81%	0.811	S	S	*	*			trans	-167.4	121.6	155.3	-108.2	154.5	0	0	0	110.3
579	P	57	Low	45.5	Very low	117 Å²	117	136.8 Å²	136.8	76%	0.76	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-101	168.8	-177.5	38	-34.2	0	0	0	114.5
580	P	54.3	Low	45.4	Very low	118 Å²	118	137.6 Å²	137.6	77%	0.766	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-95.9	167	-173.1	38.3	-36.4	0	0	0	115.1
581	P	65.2	Low	45.3	Very low	124 Å²	124	137.6 Å²	137.6	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-87.7	157.8	175	35.3	-34.5	0	0	0	114.1
582	P	53.4	Low	45.4	Very low	128 Å²	128	136.4 Å²	136.4	83%	0.831	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-100.3	170	-167.2	39.4	-37.3	0	0	0	116.3
583	T	47.2	Very low	45.6	Very low	123 Å²	123	139.8 Å²	139.8	76%	0.755	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-85.6	166.3	170.1	49.9	0	0	0	0	113
584	P	59.1	Low	45.6	Very low	124 Å²	124	141.1 Å²	141.1	81%	0.805	80%	0.801	S	S	*	*			trans	-125.7	118.8	156	34.3	-20.3	0	0	0	112.7
585	D	42.8	Very low	45.5	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	79%	0.793	S	S	*	*			trans	-84.4	156.2	160.4	-68.9	-54.7	0	0	0	110.2
586	S	50.8	Low	45.2	Very low	124 Å²	124	139.2 Å²	139.2	87%	0.867	80%	0.798	S	S	*	*			trans	-151.5	116.7	166.6	-75.3	0	0	0	0	111.1
587	E	39.8	Very low	44.9	Very low	191 Å²	191	138.9 Å²	138.9	89%	0.893	80%	0.801	S	S	*	*			trans	-73.3	143.4	173.6	-55.6	-178.2	127.3	0	0	111.6
588	L	43.3	Very low	44.8	Very low	184 Å²	184	140.8 Å²	140.8	96%	0.963	80%	0.804	S	S	*	*			trans	-142.1	129.5	146.4	-83.7	-178.1	0	0	0	109.8
589	S	37.6	Very low	44.7	Very low	105 Å²	105	138 Å²	138	73%	0.734	79%	0.794	S	S	*	*			trans	-99.6	156.4	-177.9	58.1	0	0	0	0	112.1
590	M	39.8	Very low	44	Very low	167 Å²	167	137.7 Å²	137.7	82%	0.823	79%	0.792	S	S	*	*				167.4	140.6	116.8	-79.1	-130	77.3	0	0	114.6
591	S	39.6	Very low	43.2	Very low	97 Å²	97	140.8 Å²	140.8	68%	0.678	80%	0.798	S	S	*	*			trans	68.6	89.6	146.9	58.2	0	0	0	0	123.5
592	S	40.3	Very low	41.8	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	80%	0.8	S	S	*	*				43.2	123	110.6	-47.9	0	0	0	0	123.9
593	K	41.7	Very low	41	Very low	189 Å²	189	137.8 Å²	137.8	82%	0.822	80%	0.796	S	S	*	*				180	120.8	113.4	-90.8	152.5	-173.4	178.2	0	109.6
594	H	38.2	Very low	40.5	Very low	173 Å²	173	140.1 Å²	140.1	80%	0.801	80%	0.804	S	S	*	*				55.2	132.5	92.7	-62.5	-66	0	0	0	114
595	S	37.4	Very low	39.2	Very low	95 Å²	95	139.5 Å²	139.5	66%	0.664	80%	0.803	S	S	*	*			cis	-168.8	150.7	7.8	51.7	0	0	0	0	113.2
596	L	35.8	Very low	38.8	Very low	155 Å²	155	139.8 Å²	139.8	81%	0.812	80%	0.803	S	S	*	*			trans	48.1	120.4	141.5	-58.6	167.8	0	0	0	120.9
597	L	36.5	Very low	38	Very low	178 Å²	178	140.5 Å²	140.5	93%	0.932	80%	0.796	S	S	*	*				-157.8	162.4	110.7	-130.3	71.5	0	0	0	111.2
598	N	38.1	Very low	37.9	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	79%	0.786	S	S	*	*			trans	-144.2	169.9	-159.8	-164.3	13.2	0	0	0	111.4
599	T	41.7	Very low	37.6	Very low	116 Å²	116	136.8 Å²	136.8	71%	0.712	78%	0.781	S	S	*	*			trans	74.5	160.8	163.6	71.5	0	0	0	0	119.2
600	P	41.2	Very low	37.6	Very low	109 Å²	109	136 Å²	136	71%	0.708	78%	0.781	S	S	*	*				-142.7	172.3	-54.4	41.7	-26.1	0	0	0	115.7
601	M	37.2	Very low	37.9	Very low	183 Å²	183	133.3 Å²	133.3	90%	0.901	78%	0.777	S	S	*	*			trans	20.2	128.2	144.1	-62	-71.6	-84.8	0	0	121.1
602	G	35.8	Very low	37.8	Very low	82 Å²	82	135.9 Å²	135.9	85%	0.845	78%	0.783	S	S	*	*			trans	-151.2	101.6	161	0	0	0	0	0	111.7
603	S	37.6	Very low	37.7	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	79%	0.788	S	S	*	*			trans	-87.4	147.4	-178.6	52.8	0	0	0	0	112.9
604	N	36.6	Very low	37.6	Very low	172 Å²	172	133.6 Å²	133.6	92%	0.92	79%	0.785	S	S	*	*			trans	-153.6	126.5	149.6	-97.1	-29.8	0	0	0	110.5
605	S	31.6	Very low	37.4	Very low	112 Å²	112	130.2 Å²	130.2	78%	0.783	78%	0.78	S	S	*	*			trans	-131.1	126.5	176.4	59.9	0	0	0	0	109.9
606	I	35	Very low	37.1	Very low	156 Å²	156	136.7 Å²	136.7	80%	0.8	79%	0.79	S	S	*	*			trans	-151.7	103.3	168.1	-99.4	151.8	0	0	0	103.4
607	L	34.4	Very low	37.2	Very low	140 Å²	140	134 Å²	134	73%	0.733	78%	0.784	S	S	*	*				89.2	111.3	84.6	-102.1	155.5	0	0	0	111.7
608	T	36	Very low	37.1	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	78%	0.782	S	S	*	*			trans	52	138.8	143.7	43.9	0	0	0	0	119.4
609	E	37.5	Very low	37.2	Very low	185 Å²	185	130.6 Å²	130.6	86%	0.864	78%	0.783	S	S	*	*			cis	-160.3	164.3	35.8	-127.8	149.9	-137.8	0	0	110.8
610	A	37.9	Very low	36.9	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	79%	0.789	S	S	*	*			trans	-121	151.4	167.2	0	0	0	0	0	108.3
611	P	45.2	Very low	36.8	Very low	112 Å²	112	135.6 Å²	135.6	73%	0.727	80%	0.799	S	S	*	*				-140.3	-179.2	80.3	40.9	-22.7	0	0	0	111.3
612	D	38.9	Very low	36.9	Very low	150 Å²	150	134 Å²	134	80%	0.802	80%	0.795	S	S	*	*			cis	-147.9	143.6	43.4	-83.8	-47.3	0	0	0	113.5
613	S	38.3	Very low	37.1	Very low	118 Å²	118	135.4 Å²	135.4	83%	0.825	79%	0.791	S	S	*	*			trans	-97.7	110.8	168.4	48.1	0	0	0	0	110.8	C615	S613-C615 PolarHBondContact O-N 2.86Å; S613-C615 VanDerWaalsContact O-N 3.15Å
614	V	37.6	Very low	37.2	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	79%	0.794	S	S	*	*			trans	-77	103.6	173.5	-178.6	0	0	0	0	109.6
615	C	35	Very low	37.2	Very low	102 Å²	102	137.1 Å²	137.1	69%	0.689	79%	0.791	S	S	*	*			trans	-79.5	122.3	174	-174.7	0	0	0	0	110.8	S613 S617	S613-C615 PolarHBondContact O-N 2.86Å; S613-C615 VanDerWaalsContact O-N 3.15Å; C615-S617 PolarHBondContact O-N 2.82Å
616	W	32	Very low	37.7	Very low	231 Å²	231	136.5 Å²	136.5	88%	0.875	79%	0.787	S	S	*	*			trans	-87.6	92.3	166.6	-75.3	95.9	0	0	0	110	L618	W616-L618 PolarHBondContact O-N 3.43Å
617	S	36.9	Very low	38.1	Very low	100 Å²	100	135.1 Å²	135.1	70%	0.699	79%	0.786	S	S	*	*			trans	-73.3	115.7	170.6	-55.5	0	0	0	0	110.1	C615 G619	C615-S617 PolarHBondContact O-N 2.82Å; S617-G619 PolarHBondContact O-N 2.91Å
618	L	35.4	Very low	38.4	Very low	171 Å²	171	134.6 Å²	134.6	90%	0.895	79%	0.791	S	S	*	*			trans	-70.5	114.4	161.4	-90.3	75.2	0	0	0	108.1	W616	W616-L618 PolarHBondContact O-N 3.43Å
619	G	38.6	Very low	38.6	Very low	73 Å²	73	137.3 Å²	137.3	75%	0.753	80%	0.796	S	S	*	*			trans	-84.8	128.4	164.4	0	0	0	0	0	109.7	S617	S617-G619 PolarHBondContact O-N 2.91Å
620	D	35.9	Very low	39	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	79%	0.79	S	S	*	*			trans	-60.5	139	171.8	-74.5	-53.3	0	0	0	111.4
621	D	39.6	Very low	39.4	Very low	171 Å²	171	134.5 Å²	134.5	91%	0.914	78%	0.78	S	S	*	*			trans	-140.9	127.6	146.7	-114.1	-34.2	0	0	0	110.5
622	N	38.6	Very low	39.9	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	78%	0.784	S	S	*	*			trans	-74.6	135.6	-167.4	-93.4	-71.4	0	0	0	113.2
623	S	40.9	Very low	40.2	Very low	110 Å²	110	137.1 Å²	137.1	77%	0.769	78%	0.782	S	S	*	*				-171.5	109.3	128.9	30.7	0	0	0	0	114.8
624	N	38.6	Very low	41.2	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	78%	0.775	S	S	*	*			trans	35	103.2	134.3	-80.2	-28.8	0	0	0	119.3
625	L	37	Very low	42	Very low	165 Å²	165	135.5 Å²	135.5	86%	0.864	77%	0.77	S	S	*	*				-177.6	125.8	103.6	-118.9	62	0	0	0	114.2
626	S	41.9	Very low	42.7	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	78%	0.775	S	S	*	*			trans	29.9	111.2	151.9	-144.1	0	0	0	0	122.5
627	T	43.4	Very low	43.6	Very low	126 Å²	126	135.2 Å²	135.2	77%	0.773	77%	0.773	S	S	*	*			trans	49.5	114.1	134.9	55.8	0	0	0	0	120.6
628	P	40.5	Very low	44.2	Very low	130 Å²	130	138.8 Å²	138.8	84%	0.844	78%	0.776	S	S	*	*			trans	-92.1	146	179.3	36.4	-33.9	0	0	0	114.3
629	H	40.9	Very low	44.8	Very low	168 Å²	168	139 Å²	139	78%	0.778	77%	0.773	S	S	*	*			trans	-146.1	149.4	159.2	-155.4	-89.6	0	0	0	109.4
630	D	45.1	Very low	45.6	Very low	140 Å²	140	142.2 Å²	142.2	75%	0.749	77%	0.771	S	S	*	*			trans	55.5	98	177.5	-66.6	-53	0	0	0	118.8
631	S	47.5	Very low	46.4	Very low	74 Å²	74	140.9 Å²	140.9	52%	0.517	76%	0.764	S	S	.	*				165.7	116	86	-174.6	0	0	0	0	111.8	H633	S631-H633 PolarHBondContact O-N 2.98Å; S631-H633 PolarHBondContact OG-ND1 2.87Å
632	L	55.1	Low	47.1	Very low	154 Å²	154	138.7 Å²	138.7	81%	0.806	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	6.6	176.9	-112.6	104.1	0	0	0	115
633	H	46.6	Very low	47.9	Very low	162 Å²	162	138.3 Å²	138.3	75%	0.75	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	0.3	-172.6	-60.5	91.1	0	0	0	114.5	S631 I635	S631-H633 PolarHBondContact O-N 2.98Å; S631-H633 PolarHBondContact OG-ND1 2.87Å; H633-I635 PolarHBondContact O-N 3.41Å
634	A	58.2	Low	48.5	Very low	84 Å²	84	139.3 Å²	139.3	69%	0.694	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-81.7	-7.3	-175	0	0	0	0	0	115.2	H636	A634-H636 VanDerWaalsContact C-N 3.33Å; A634-H636 PolarHBondContact O-N 3.02Å
635	I	55.2	Low	49.1	Very low	125 Å²	125	139.4 Å²	139.4	64%	0.641	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-87.4	5.3	-165	-43.8	177.8	0	0	0	113.1	H633	H633-I635 PolarHBondContact O-N 3.41Å
636	H	49.4	Very low	49.8	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-110.4	11.8	-171.1	-96.1	-67.4	0	0	0	117.1	A634	A634-H636 VanDerWaalsContact C-N 3.33Å; A634-H636 PolarHBondContact O-N 3.02Å
637	N	50.6	Low	49.8	Very low	155 Å²	155	142 Å²	142	83%	0.829	75%	0.752	S	S	*	*			trans	-101.6	81.9	171.2	-79.9	-3.3	0	0	0	111.6	E639	N637-E639 PolarHBondContact O-N 2.83Å
638	F	48.7	Very low	49.7	Very low	175 Å²	175	139.1 Å²	139.1	77%	0.768	75%	0.747	S	S	*	*			trans	-85.2	100.1	161.9	-69.8	-78.5	0	0	0	109.4	I640	F638-I640 PolarHBondContact O-N 2.87Å
639	E	49.2	Very low	49.7	Very low	177 Å²	177	139.9 Å²	139.9	83%	0.827	74%	0.743	S	S	*	*			trans	-71.7	103.1	165.4	-69.8	-171	149.4	0	0	109	N637 N641	N637-E639 PolarHBondContact O-N 2.83Å; E639-N641 PolarHBondContact O-N 2.93Å
640	I	54.3	Low	49.7	Very low	140 Å²	140	138.9 Å²	138.9	72%	0.718	74%	0.744	S	S	*	*			trans	-84.3	95.9	173.1	-53.2	178.4	0	0	0	108.3	F638 I642	F638-I640 PolarHBondContact O-N 2.87Å; I640-I642 HydrophobicContact CG2-CD1 4.38Å; I640-I642 HydrophobicContact CG2-CG1 3.74Å; I640-I642 PolarHBondContact O-N 3.07Å
641	N	52.4	Low	49.7	Very low	130 Å²	130	138.9 Å²	138.9	70%	0.695	74%	0.744	S	S	*	*			trans	-71.8	110.2	164.6	-72.3	-5	0	0	0	108.6	E639	E639-N641 PolarHBondContact O-N 2.93Å
642	I	54.7	Low	49.3	Very low	125 Å²	125	143.8 Å²	143.8	64%	0.641	76%	0.759	S	S	*	*			trans	-100.5	92.4	168.3	-46.1	179.9	0	0	0	107.4	I640 L644	I640-I642 HydrophobicContact CG2-CD1 4.38Å; I640-I642 HydrophobicContact CG2-CG1 3.74Å; I640-I642 PolarHBondContact O-N 3.07Å; I642-L644 HydrophobicContact CG2-CD1 4.44Å; I642-L644 HydrophobicContact CG2-CD2 4.33Å; I642-L644 HydrophobicContact CG2-CG 3.89Å; I642-L644 PolarHBondContact O-N 3.03Å; I642-L644 VanDerWaalsContact O-N 3.09Å
643	D	55.4	Low	48.7	Very low	143 Å²	143	141 Å²	141	77%	0.765	76%	0.758	S	S	*	*			trans	-72.5	98	168.7	-66.9	-39.2	0	0	0	108.3
644	L	54.3	Low	48.2	Very low	132 Å²	132	140.3 Å²	140.3	69%	0.691	76%	0.76	S	S	*	*			trans	-97.9	97	168.1	-74.2	176	0	0	0	108.8	I642 L646	I642-L644 HydrophobicContact CG2-CD1 4.44Å; I642-L644 HydrophobicContact CG2-CD2 4.33Å; I642-L644 HydrophobicContact CG2-CG 3.89Å; I642-L644 PolarHBondContact O-N 3.03Å; I642-L644 VanDerWaalsContact O-N 3.09Å; L644-L646 PolarHBondContact O-N 2.79Å
645	D	50.7	Low	47.2	Very low	152 Å²	152	141 Å²	141	81%	0.813	76%	0.759	S	S	*	*			trans	-66.4	87.2	164.1	-71.2	-37.7	0	0	0	109.2	D647	D645-D647 VanDerWaalsContact C-N 3.34Å; D645-D647 PolarHBondContact O-N 3.38Å
646	L	52.1	Low	46.4	Very low	151 Å²	151	143 Å²	143	79%	0.791	77%	0.772	S	S	*	*			trans	-81.3	85.6	168	-82.7	166.5	0	0	0	108.7	L644 G648	L644-L646 PolarHBondContact O-N 2.79Å; L646-G648 PolarHBondContact O-N 3.04Å
647	D	42.2	Very low	45.8	Very low	169 Å²	169	138 Å²	138	90%	0.904	77%	0.765	S	S	*	*			trans	-53.7	108.1	168.1	-88.6	-34.9	0	0	0	110	D645	D645-D647 VanDerWaalsContact C-N 3.34Å; D645-D647 PolarHBondContact O-N 3.38Å
648	G	40.6	Very low	45.2	Very low	65 Å²	65	142.3 Å²	142.3	67%	0.67	77%	0.77	S	S	*	*			trans	-161.7	32.4	-163.9	0	0	0	0	0	113.4	L646	L646-G648 PolarHBondContact O-N 3.04Å
649	N	41.7	Very low	44.8	Very low	145 Å²	145	140.8 Å²	140.8	78%	0.775	78%	0.776	S	S	*	*			trans	-145.4	85.3	172.7	-137.8	57.2	0	0	0	112.2	D651	N649-D651 PolarHBondContact O-N 3.32Å
650	N	40.4	Very low	44.2	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	77%	0.77	S	S	*	*			trans	-85.1	84.3	169.3	-171.5	13.3	0	0	0	110
651	D	44.7	Very low	43.4	Very low	140 Å²	140	134.1 Å²	134.1	75%	0.749	77%	0.772	S	S	*	*			trans	-132.8	73.9	165.5	-94.2	-37.1	0	0	0	108.2	N649 A653	N649-D651 PolarHBondContact O-N 3.32Å; D651-A653 PolarHBondContact O-N 3.24Å
652	Q	39.6	Very low	42.9	Very low	177 Å²	177	133.2 Å²	133.2	83%	0.827	77%	0.771	S	S	*	*			trans	-72.2	95.8	172.9	-85.5	-167.5	-2.6	0	0	111.2	N654	Q652-N654 PolarHBondContact O-N 2.79Å
653	A	41	Very low	42.3	Very low	96 Å²	96	134.9 Å²	134.9	79%	0.793	78%	0.781	S	S	*	*			trans	-79.5	99.7	153	0	0	0	0	0	108.6	D651 S655	D651-A653 PolarHBondContact O-N 3.24Å; A653-S655 PolarHBondContact O-N 2.77Å
654	N	36.7	Very low	41.8	Very low	147 Å²	147	133.7 Å²	133.7	79%	0.786	78%	0.781	S	S	*	*			trans	-74.6	114.9	-178.1	-175	11.6	0	0	0	111.6	Q652	Q652-N654 PolarHBondContact O-N 2.79Å
655	S	36.5	Very low	41.2	Very low	97 Å²	97	134.9 Å²	134.9	68%	0.678	79%	0.788	S	S	*	*			trans	-155.3	101	165.3	66	0	0	0	0	112.5	A653	A653-S655 PolarHBondContact O-N 2.77Å
656	N	38.6	Very low	41	Very low	169 Å²	169	132 Å²	132	90%	0.904	78%	0.776	S	S	*	*			trans	-175.7	138.5	151.2	-91.7	-32.7	0	0	0	107.8
657	G	37.1	Very low	40.6	Very low	64 Å²	64	134.5 Å²	134.5	66%	0.66	78%	0.775	S	S	*	*			cis	-175.4	-164.6	-3.7	0	0	0	0	0	110.5
658	R	37.8	Very low	40.7	Very low	246 Å²	246	133.6 Å²	133.6	93%	0.928	77%	0.765	S	S	*	*			trans	35.8	121.5	160	-77.5	170.9	153.4	-172.5	-7.7	117.7
659	T	40.5	Very low	40.8	Very low	144 Å²	144	134.7 Å²	134.7	88%	0.883	76%	0.762	S	S	*	*			cis	-149	176	46	53.7	0	0	0	0	108.2
660	G	36.2	Very low	40.9	Very low	69 Å²	69	133.9 Å²	133.9	71%	0.711	76%	0.763	S	S	*	*			cis	149.4	142.1	16.8	0	0	0	0	0	107.5
661	S	38.9	Very low	41.2	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	76%	0.762	S	S	*	*			trans	84.6	109.7	168.7	-141.1	0	0	0	0	121.6
662	T	41.3	Very low	41.3	Very low	110 Å²	110	131.5 Å²	131.5	68%	0.675	77%	0.766	S	S	*	*				56.4	105.8	129.9	59.5	0	0	0	0	122
663	N	41.3	Very low	41.4	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	77%	0.771	S	S	*	*				177	130.2	109.5	-91.5	-14.9	0	0	0	112.2
664	P	44.5	Very low	41.6	Very low	118 Å²	118	134.3 Å²	134.3	77%	0.766	76%	0.761	S	S	*	*			trans	-120.6	124.1	168	36.1	-23	0	0	0	113.3
665	D	43.5	Very low	41.8	Very low	157 Å²	157	139 Å²	139	84%	0.84	77%	0.768	S	S	*	*			trans	178.5	149.5	157.8	-107.1	-14	0	0	0	106.5
666	V	45.2	Very low	42	Very low	92 Å²	92	137.8 Å²	137.8	56%	0.558	77%	0.771	S	S	*	*			cis	-162	135.2	13.7	97.1	0	0	0	0	108.8
667	R	43.5	Very low	42.3	Very low	203 Å²	203	136.8 Å²	136.8	77%	0.766	77%	0.771	S	S	*	*			trans	54.3	161.2	141.3	-60.7	172.6	-165.3	-151.5	6.7	119.8
668	H	45.3	Very low	42.3	Very low	151 Å²	151	138.1 Å²	138.1	70%	0.699	78%	0.776	S	S	*	*			cis	-159.9	135.3	-0.8	-99.6	-33.2	0	0	0	104.4
669	S	42.7	Very low	42.7	Very low	87 Å²	87	134.9 Å²	134.9	61%	0.608	78%	0.777	S	S	*	*				116.7	140.4	68.4	68.3	0	0	0	0	112.8
670	T	44.5	Very low	42.5	Very low	129 Å²	129	133.2 Å²	133.2	79%	0.791	77%	0.771	S	S	*	*			trans	65.8	139.3	152.9	54.7	0	0	0	0	119.9
671	S	45.7	Very low	43	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	78%	0.776	S	S	*	*			cis	-161.5	156.7	7.2	-84.3	0	0	0	0	112.7
672	P	46.9	Very low	43.3	Very low	127 Å²	127	138.2 Å²	138.2	83%	0.825	77%	0.773	S	S	*	*			trans	-126.7	149.2	166.6	38.8	-26.4	0	0	0	116.1
673	R	42.4	Very low	43.2	Very low	246 Å²	246	139 Å²	139	93%	0.928	77%	0.774	S	S	*	*			trans	-159.4	157.7	169.4	-80.4	-178.6	90.8	-173.3	6.4	109.1
674	S	43.7	Very low	43.4	Very low	85 Å²	85	140.9 Å²	140.9	59%	0.594	77%	0.774	S	S	*	*			cis	-174.7	145.7	-23.3	-164.4	0	0	0	0	110
675	R	41.7	Very low	43.3	Very low	245 Å²	245	141.7 Å²	141.7	93%	0.925	77%	0.771	S	S	*	*			trans	46.8	126.4	154.3	-64.5	168.3	-172.3	-174.3	2.5	119.7
676	G	40.5	Very low	43.2	Very low	72 Å²	72	142.1 Å²	142.1	74%	0.742	77%	0.773	S	S	*	*				139.1	164.7	78.1	0	0	0	0	0	107.6
677	T	44.5	Very low	42.8	Very low	149 Å²	149	141 Å²	141	91%	0.914	78%	0.78	S	S	*	*			cis	-153.9	164.1	18.9	43.8	0	0	0	0	110.4
678	A	38.2	Very low	42.6	Very low	92 Å²	92	137.2 Å²	137.2	76%	0.76	79%	0.785	S	S	*	*			trans	-95.3	165.8	-179.3	0	0	0	0	0	113.9
679	N	45.3	Very low	42.5	Very low	177 Å²	177	136.2 Å²	136.2	95%	0.947	79%	0.792	S	S	*	*			trans	-150	152	153.8	-108.6	-15	0	0	0	110.5
680	S	37.4	Very low	42.2	Very low	109 Å²	109	141.1 Å²	141.1	76%	0.762	81%	0.805	S	S	*	*			trans	-138.3	141.5	-163	173.7	0	0	0	0	112.8
681	T	46.3	Very low	42.2	Very low	133 Å²	133	141.6 Å²	141.6	82%	0.816	81%	0.808	S	S	*	*			trans	158.9	149.3	154.5	30.2	0	0	0	0	108
682	H	45.5	Very low	41.9	Very low	150 Å²	150	142.5 Å²	142.5	69%	0.694	81%	0.811	S	S	*	*			cis	-149.1	150.1	12.6	-169.6	-74.8	0	0	0	110.2	F684	H682-F684 AromaticContact CE1-CE2 3.72Å
683	D	38.7	Very low	41.6	Very low	127 Å²	127	145 Å²	145	68%	0.679	81%	0.814	S	S	*	*			trans	-76.2	162	179.6	-60	-77.5	0	0	0	114.9
684	F	45.8	Very low	41.4	Very low	198 Å²	198	141.4 Å²	141.4	87%	0.868	81%	0.813	S	S	*	*				-162.3	156.3	127.7	-96.3	-62.4	0	0	0	111.8	H682	H682-F684 AromaticContact CE1-CE2 3.72Å
685	I	41.7	Very low	41.1	Very low	136 Å²	136	140.5 Å²	140.5	70%	0.697	82%	0.817	S	S	*	*			trans	-118.5	140.1	-147.5	-67	160	0	0	0	114.1
686	N	41.7	Very low	41	Very low	166 Å²	166	134.4 Å²	134.4	89%	0.888	81%	0.809	S	S	*	*			trans	165.6	137.2	139.3	-90.2	-24.8	0	0	0	109.8
687	G	37.7	Very low	41	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	82%	0.819	S	S	*	*			cis	155.1	89.9	-3.5	0	0	0	0	0	112.1
688	S	38.3	Very low	40.7	Very low	124 Å²	124	137.6 Å²	137.6	87%	0.867	81%	0.812	S	S	*	*			trans	-166.7	154.7	166.4	-88.4	0	0	0	0	112.3
689	P	43.8	Very low	41.4	Very low	130 Å²	130	142.3 Å²	142.3	84%	0.844	82%	0.815	S	S	*	*			trans	-99	166.7	-143.3	-1.8	22.5	0	0	0	117
690	Q	37.2	Very low	41.7	Very low	190 Å²	190	140 Å²	140	89%	0.888	81%	0.81	S	S	*	*			trans	-90.4	153.5	-173.7	-56.9	166.6	-2.8	0	0	113.6
691	T	43.7	Very low	42.1	Very low	138 Å²	138	142.3 Å²	142.3	85%	0.847	81%	0.813	S	S	*	*			trans	-139	147.6	144.6	46.8	0	0	0	0	109.5
692	P	39.4	Very low	42.2	Very low	131 Å²	131	147.3 Å²	147.3	85%	0.851	82%	0.817	S	S	*	*			trans	-96.4	165	-148.6	36.5	-37.6	0	0	0	117
693	M	39.5	Very low	42.4	Very low	179 Å²	179	151.6 Å²	151.6	88%	0.882	83%	0.827	S	S	*	*			trans	-74.4	150.1	170.9	-67.5	-81.4	-170.2	0	0	112.6
694	N	40.1	Very low	43.3	Very low	170 Å²	170	153.3 Å²	153.3	91%	0.909	84%	0.836	S	S	*	*			trans	-172.6	141.8	136.5	-105	-20.6	0	0	0	114
695	G	36.9	Very low	44.2	Very low	66 Å²	66	149.4 Å²	149.4	68%	0.68	82%	0.823	S	S	*	*			trans	88.4	134.4	149	0	0	0	0	0	118.2
696	P	39.7	Very low	45.9	Very low	117 Å²	117	147.2 Å²	147.2	76%	0.76	81%	0.813	S	S	*	*	S	Bend	trans	-80.2	168.9	177.7	34.7	-35.5	0	0	0	113
697	F	39.5	Very low	47.6	Very low	214 Å²	214	144 Å²	144	94%	0.939	80%	0.795	S	S	*	*			trans	77.1	58.3	-172.6	-53.9	-76.2	0	0	0	115.8
698	G	38.8	Very low	49.6	Very low	74 Å²	74	146.7 Å²	146.7	76%	0.763	79%	0.79	S	S	*	*			trans	-103.2	116.9	168.2	0	0	0	0	0	112.6
699	K	53	Low	51.7	Low	192 Å²	192	145.9 Å²	145.9	84%	0.835	77%	0.772	S	S	*	*			trans	-58.9	151.6	169.7	-64.5	176.5	-179.4	179.6	0	110.3	N701	K699-N701 PolarHBondContact O-N 2.85Å
700	P	52.3	Low	53.5	Low	129 Å²	129	145.1 Å²	145.1	84%	0.838	75%	0.753	S	S	*	*			trans	-61.9	111.1	178.8	25.1	-33.8	0	0	0	110.8	R702	P700-R702 PolarHBondContact O-N 2.84Å
701	N	45.1	Very low	55.9	Low	156 Å²	156	139.7 Å²	139.7	83%	0.834	73%	0.727	S	S	*	*			trans	-62.3	102.6	178.5	-86.1	-41.4	0	0	0	110.8	K699 R703	K699-N701 PolarHBondContact O-N 2.85Å; N701-R703 PolarHBondContact O-N 3.05Å
702	R	47.4	Very low	58	Low	239 Å²	239	141.3 Å²	141.3	90%	0.902	72%	0.722	S	S	*	*			trans	-59.1	98.7	160.4	-105.1	-177.5	169.7	178.2	-1.7	107.8	P700 L704	P700-R702 PolarHBondContact O-N 2.84Å; R702-L704 PolarHBondContact O-N 3.49Å
703	R	50.5	Low	60.1	Low	239 Å²	239	145 Å²	145	90%	0.902	72%	0.719	S	S	*	*			trans	-67.4	94.8	169.8	-77.5	-177.9	170.9	168.6	-2.3	108.8	N701 L705	N701-R703 PolarHBondContact O-N 3.05Å; R703-L705 PolarHBondContact O-N 3.42Å
704	L	58.2	Low	62.4	Low	163 Å²	163	142.1 Å²	142.1	85%	0.853	70%	0.703	S	S	*	*			trans	-59.2	120.4	161.7	-70.6	171.8	0	0	0	107.7	R702 N706	R702-L704 PolarHBondContact O-N 3.49Å; L704-N706 PolarHBondContact O-N 3.3Å; L704-N706 VanDerWaalsContact O-N 3.09Å
705	L	63.8	Low	63.6	Low	117 Å²	117	136.9 Å²	136.9	61%	0.613	69%	0.689	S	S	*	*			trans	-70.2	106.7	177.7	-171.9	76.1	0	0	0	107.9	R703 L707 Y710	R703-L705 PolarHBondContact O-N 3.42Å; L705-L707 VanDerWaalsContact C-N 3.33Å; L705-L707 HydrophobicContact CD2-CD1 4.22Å; L705-L707 PolarHBondContact O-N 3.05Å; L705-Y710 HydrophobicContact CD1-CD2 4.41Å; L705-Y710 HydrophobicContact CD2-CG 4.39Å
706	N	78.2	Confident	65.6	Low	90 Å²	90	136.5 Å²	136.5	48%	0.481	67%	0.671	S	S	.	*			trans	-64.3	95.9	171.8	-177.2	-11.4	0	0	0	108.7	L704 Q708 E709 Y710	L704-N706 PolarHBondContact O-N 3.3Å; L704-N706 VanDerWaalsContact O-N 3.09Å; N706-Q708 PolarHBondContact O-N 2.96Å; N706-Q708 VanDerWaalsContact OD1-CB 3.26Å; N706-Q708 WeakPolarHBondContact OD1-CB 3.36Å; N706-Q708 PolarHBondContact OD1-N 3.09Å; N706-Q708 VanDerWaalsContact OD1-N 3.15Å; N706-E709 HydrophobicContact CB-CB 4.01Å; N706-E709 PolarHBondContact O-N 2.92Å; N706-E709 VanDerWaalsContact O-N 3.08Å; N706-E709 PolarHBondContact OD1-N 3.19Å; N706-Y710 PolarHBondContact O-N 3.42Å
707	L	76.2	Confident	67.3	Low	97 Å²	97	136.8 Å²	136.8	51%	0.508	67%	0.665	S	S	.	*	H	α-helix	trans	-57.9	-31.1	-177.5	-107.2	76.6	0	0	0	112	L705 K711	L705-L707 VanDerWaalsContact C-N 3.33Å; L705-L707 HydrophobicContact CD2-CD1 4.22Å; L705-L707 PolarHBondContact O-N 3.05Å; L707-K711 VanDerWaalsContact O-CB 3.27Å; L707-K711 WeakPolarHBondContact O-CB 3.43Å; L707-K711 WeakPolarHBondContact O-CD 3.18Å; L707-K711 WeakPolarHBondContact O-CG 3.16Å; L707-K711 PolarHBondContact O-N 3.39Å
708	Q	81	Confident	68.7	Low	126 Å²	126	132.9 Å²	132.9	59%	0.589	65%	0.651	S	S	*	*	H	α-helix	trans	-65.7	-46.4	177.2	-132.9	77	-31.9	0	0	110.6	N706 K712 I717	N706-Q708 PolarHBondContact O-N 2.96Å; N706-Q708 VanDerWaalsContact OD1-CB 3.26Å; N706-Q708 WeakPolarHBondContact OD1-CB 3.36Å; N706-Q708 PolarHBondContact OD1-N 3.09Å; N706-Q708 VanDerWaalsContact OD1-N 3.15Å; Q708-K712 WeakPolarHBondContact O-CB 3.25Å; Q708-K712 PolarHBondContact O-N 3.25Å; Q708-I717 HydrophobicContact CG-CD1 4.47Å
709	E	81.6	Confident	70.3	Confident	107 Å²	107	136 Å²	136	50%	0.5	65%	0.645	S	S	.	*	H	α-helix	trans	-71.9	-38.6	179.3	-166.1	-179.4	-178.2	0	0	112.3	N706 K712 R713	N706-E709 HydrophobicContact CB-CB 4.01Å; N706-E709 PolarHBondContact O-N 2.92Å; N706-E709 VanDerWaalsContact O-N 3.08Å; N706-E709 PolarHBondContact OD1-N 3.19Å; E709-K712 PolarHBondContact O-N 2.99Å; E709-R713 PolarHBondContact O-N 2.89Å
710	Y	80.9	Confident	71.2	Confident	113 Å²	113	132.9 Å²	132.9	44%	0.443	64%	0.635	S	S	.	*	H	α-helix	trans	-60.2	-48.6	173.1	178.4	-95.8	0	0	0	111.6	L705 N706 K712 R713 H714	L705-Y710 HydrophobicContact CD1-CD2 4.41Å; L705-Y710 HydrophobicContact CD2-CG 4.39Å; N706-Y710 PolarHBondContact O-N 3.42Å; Y710-K712 VanDerWaalsContact C-N 3.32Å; Y710-K712 PolarHBondContact O-N 3.23Å; Y710-R713 PolarHBondContact O-N 3.32Å; Y710-H714 AromaticContact CD2-CD2 3.74Å; Y710-H714 AromaticContact CE2-CD2 3.35Å; Y710-H714 WeakPolarHBondContact CE2-CD2 3.43Å; Y710-H714 AromaticContact CE2-NE2 3.42Å; Y710-H714 WeakPolarHBondContact CE2-NE2 3.18Å; Y710-H714 AromaticContact CZ-CD2 3.52Å; Y710-H714 AromaticContact CZ-NE2 3.81Å; Y710-H714 PolarHBondContact O-CD2 3.07Å; Y710-H714 PolarHBondContact O-N 3.09Å; Y710-H714 VanDerWaalsContact O-N 3.09Å
711	K	88.2	Confident	72.3	Confident	76 Å²	76	133.1 Å²	133.1	33%	0.33	62%	0.623	S	S	.	*	H	α-helix	trans	-62.2	-39.1	175.8	-73.9	171.4	-178.7	177.4	0	111.8	L707 H714 G715 L716 I717	L707-K711 VanDerWaalsContact O-CB 3.27Å; L707-K711 WeakPolarHBondContact O-CB 3.43Å; L707-K711 WeakPolarHBondContact O-CD 3.18Å; L707-K711 WeakPolarHBondContact O-CG 3.16Å; L707-K711 PolarHBondContact O-N 3.39Å; K711-H714 PolarHBondContact O-N 3.34Å; K711-G715 PolarHBondContact O-N 3.15Å; K711-L716 HydrophobicContact CB-CB 3.99Å; K711-L716 HydrophobicContact CG-CB 4.03Å; K711-L716 PolarHBondContact O-N 3Å; K711-I717 HydrophobicContact CB-CD1 3.52Å; K711-I717 HydrophobicContact CB-CG1 3.8Å; K711-I717 HydrophobicContact CD-CD1 3.78Å; K711-I717 HydrophobicContact CD-CG1 4.09Å; K711-I717 HydrophobicContact CG-CD1 4.31Å
712	K	86.9	Confident	74.1	Confident	172 Å²	172	131.7 Å²	131.7	75%	0.748	61%	0.61	S	S	*	*	H	α-helix	trans	-66.6	-38.3	177.1	-160.7	174.5	-171.7	178.7	0	112.7	Q708 E709 Y710	Q708-K712 WeakPolarHBondContact O-CB 3.25Å; Q708-K712 PolarHBondContact O-N 3.25Å; E709-K712 PolarHBondContact O-N 2.99Å; Y710-K712 VanDerWaalsContact C-N 3.32Å; Y710-K712 PolarHBondContact O-N 3.23Å
713	R	85.2	Confident	75.8	Confident	209 Å²	209	124.5 Å²	124.5	79%	0.789	59%	0.59	S	S	*	*	H	α-helix	trans	-69.8	-30	174	-87.2	-169.4	179.8	-171.9	2	114.1	E709 Y710	E709-R713 PolarHBondContact O-N 2.89Å; Y710-R713 PolarHBondContact O-N 3.32Å
714	H	86	Confident	77.6	Confident	118 Å²	118	116.4 Å²	116.4	55%	0.546	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.9	6	-178.8	-76.5	-75.6	0	0	0	114.3	Y710 K711 L716	Y710-H714 AromaticContact CD2-CD2 3.74Å; Y710-H714 AromaticContact CE2-CD2 3.35Å; Y710-H714 WeakPolarHBondContact CE2-CD2 3.43Å; Y710-H714 AromaticContact CE2-NE2 3.42Å; Y710-H714 WeakPolarHBondContact CE2-NE2 3.18Å; Y710-H714 AromaticContact CZ-CD2 3.52Å; Y710-H714 AromaticContact CZ-NE2 3.81Å; Y710-H714 PolarHBondContact O-CD2 3.07Å; Y710-H714 PolarHBondContact O-N 3.09Å; Y710-H714 VanDerWaalsContact O-N 3.09Å; K711-H714 PolarHBondContact O-N 3.34Å; H714-L716 HydrophobicContact CB-CD1 3.32Å; H714-L716 PolarHBondContact O-N 2.85Å
715	G	65.5	Low	79.1	Confident	60 Å²	60	112.8 Å²	112.8	62%	0.619	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	32.2	178	0	0	0	0	0	114.6	K711	K711-G715 PolarHBondContact O-N 3.15Å
716	L	79.5	Confident	80.4	Confident	59 Å²	59	112.4 Å²	112.4	31%	0.309	54%	0.541	S	S	.	.			trans	-93.3	-3	175.6	-70.7	100.3	0	0	0	114.1	I230 K711 H714	I230-L716 HydrophobicContact CB-CD2 4.16Å; I230-L716 HydrophobicContact CD1-CB 3.97Å; I230-L716 HydrophobicContact CD1-CD2 3.92Å; I230-L716 HydrophobicContact CD1-CG 3.77Å; I230-L716 HydrophobicContact CG2-CD2 3.93Å; K711-L716 HydrophobicContact CB-CB 3.99Å; K711-L716 HydrophobicContact CG-CB 4.03Å; K711-L716 PolarHBondContact O-N 3Å; H714-L716 HydrophobicContact CB-CD1 3.32Å; H714-L716 PolarHBondContact O-N 2.85Å
717	I	75.8	Confident	80.6	Confident	122 Å²	122	114.5 Å²	114.5	63%	0.626	55%	0.546	S	S	*	.			trans	-131.2	0	170.7	-62	163.5	0	0	0	106.6	Q708 K711	Q708-I717 HydrophobicContact CG-CD1 4.47Å; K711-I717 HydrophobicContact CB-CD1 3.52Å; K711-I717 HydrophobicContact CB-CG1 3.8Å; K711-I717 HydrophobicContact CD-CD1 3.78Å; K711-I717 HydrophobicContact CD-CG1 4.09Å; K711-I717 HydrophobicContact CG-CD1 4.31Å

Retrieved 717 of 717 residues in 457.6 ms (Link to these results)

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