A0A087YLI5_POEFO Loading...

Protein PALS1

AlphaFold DB , UniProt , Accession A0A087YLI5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 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	28.1	Very low	24.6	Very low	236 Å²	236	161.5 Å²	161.5	100%	1.163	87%	0.869	S	S	*	*				0	119.7	0	-77.2	-175.6	-140.1	0	0	108.1
2	I	24.4	Very low	24.6	Very low	170 Å²	170	163 Å²	163	87%	0.872	87%	0.867	S	S	*	*			trans	22.1	127.2	139	-47.2	174.2	0	0	0	115.1
3	A	25.6	Very low	24.5	Very low	86 Å²	86	158.1 Å²	158.1	71%	0.711	86%	0.863	S	S	*	*			cis	-169.1	144.7	-1.5	0	0	0	0	0	106.5
4	S	22.9	Very low	24.6	Very low	127 Å²	127	155.1 Å²	155.1	89%	0.888	86%	0.86	S	S	*	*			trans	-144.4	123.5	167.4	-77.2	0	0	0	0	111.6
5	R	26.7	Very low	24.6	Very low	244 Å²	244	150.6 Å²	150.6	92%	0.921	85%	0.85	S	S	*	*			trans	-37	139.1	174.7	-63.2	166.4	172.3	-176.9	-3.5	116
6	T	25.2	Very low	24.6	Very low	143 Å²	143	148.4 Å²	148.4	88%	0.877	84%	0.844	S	S	*	*			trans	-148.4	122.2	137.8	35.3	0	0	0	0	110.2
7	N	23.8	Very low	24.8	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	84%	0.844	S	S	*	*			trans	-69.7	125.2	168.7	-77.8	-22.7	0	0	0	109.2
8	G	24	Very low	25.1	Very low	72 Å²	72	143.7 Å²	143.7	74%	0.742	83%	0.834	S	S	*	*			trans	-109.7	102.8	163.2	0	0	0	0	0	109.4	V10	G8-V10 PolarHBondContact O-N 3.3Å
9	Y	22.9	Very low	25.8	Very low	222 Å²	222	140.8 Å²	140.8	87%	0.871	82%	0.823	S	S	*	*			trans	-68.7	114.5	164.7	-106.6	-98.6	0	0	0	107.8
10	V	24.3	Very low	27.1	Very low	130 Å²	130	138.9 Å²	138.9	79%	0.788	81%	0.805	S	S	*	*			trans	-90	112.9	162	177.1	0	0	0	0	106.4	G8 E12	G8-V10 PolarHBondContact O-N 3.3Å; V10-E12 PolarHBondContact O-N 2.97Å
11	Q	22.6	Very low	28.8	Very low	184 Å²	184	141.6 Å²	141.6	86%	0.86	80%	0.802	S	S	*	*			trans	-88.4	93	177.7	-162.6	165.9	5.8	0	0	107.3	A13	Q11-A13 PolarHBondContact O-N 3.3Å; Q11-A13 VanDerWaalsContact O-N 3.16Å
12	E	24.7	Very low	31.2	Very low	180 Å²	180	131.4 Å²	131.4	84%	0.841	75%	0.752	S	S	*	*			trans	-68.2	105.7	165	-86.4	180	160.7	0	0	108.2	V10 S14	V10-E12 PolarHBondContact O-N 2.97Å; E12-S14 PolarHBondContact O-N 2.93Å
13	A	23.2	Very low	33.5	Very low	99 Å²	99	125.4 Å²	125.4	82%	0.818	72%	0.718	S	S	*	*			trans	-72.3	103.5	169.9	0	0	0	0	0	108.7	Q11 A15	Q11-A13 PolarHBondContact O-N 3.3Å; Q11-A13 VanDerWaalsContact O-N 3.16Å; A13-A15 PolarHBondContact O-N 3.35Å
14	S	26.1	Very low	35.3	Very low	117 Å²	117	121.5 Å²	121.5	82%	0.818	69%	0.686	S	S	*	*			trans	-73.9	100.4	162.5	39.5	0	0	0	0	108.4	E12	E12-S14 PolarHBondContact O-N 2.93Å
15	A	24.2	Very low	36.7	Very low	87 Å²	87	115.8 Å²	115.8	72%	0.719	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-69.5	138.7	164.4	0	0	0	0	0	109	A13 A17	A13-A15 PolarHBondContact O-N 3.35Å; A15-A17 PolarHBondContact O-N 3.49Å
16	P	25.4	Very low	37.6	Very low	116 Å²	116	104.4 Å²	104.4	75%	0.753	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-68.3	128.4	174.9	27.7	-30.8	0	0	0	109.3	V18	P16-V18 PolarHBondContact O-N 3.22Å; P16-V18 VanDerWaalsContact O-N 3.16Å
17	A	27.6	Very low	38.4	Very low	101 Å²	101	98.3 Å²	98.3	84%	0.835	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-58	118	172.4	0	0	0	0	0	109.3	A15 S19	A15-A17 PolarHBondContact O-N 3.49Å; A17-S19 PolarHBondContact O-N 2.94Å
18	V	29.4	Very low	39	Very low	110 Å²	110	95.8 Å²	95.8	67%	0.667	56%	0.558	S	S	*	*			trans	-71.2	114.5	172.2	178.7	0	0	0	0	106.9	P16 H20	P16-V18 PolarHBondContact O-N 3.22Å; P16-V18 VanDerWaalsContact O-N 3.16Å; V18-H20 PolarHBondContact O-CD2 2.88Å; V18-H20 VanDerWaalsContact O-CD2 3.26Å; V18-H20 PolarHBondContact O-N 3.39Å; V18-H20 VanDerWaalsContact O-N 3.16Å
19	S	38.6	Very low	39.6	Very low	89 Å²	89	94.4 Å²	94.4	62%	0.622	54%	0.544	S	S	*	.			trans	-73	101.9	176.7	-176.8	0	0	0	0	109	A17	A17-S19 PolarHBondContact O-N 2.94Å
20	H	51.8	Low	40.2	Very low	103 Å²	103	93.2 Å²	93.2	48%	0.477	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-80.5	133.5	171.5	-66.8	-86.7	0	0	0	109.5	V18	V18-H20 PolarHBondContact O-CD2 2.88Å; V18-H20 VanDerWaalsContact O-CD2 3.26Å; V18-H20 PolarHBondContact O-N 3.39Å; V18-H20 VanDerWaalsContact O-N 3.16Å
21	R	62.8	Low	40.5	Very low	195 Å²	195	96.2 Å²	96.2	74%	0.736	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-78.3	126.8	177.2	-169.9	175.3	179.2	-176.2	-2.4	108.9
22	E	78.3	Confident	40.9	Very low	23 Å²	23	91.5 Å²	91.5	11%	0.107	55%	0.552	C	S	.	*	P	Polyproline II helix	trans	-100.5	158	176	-57.3	-176.8	-177	0	0	109.8	T248 R250 S259 P343 C344	E22-T248 PolarHBondContact OE2-OG1 3.47Å; E22-R250 HydrophobicContact CG-CB 4.45Å; E22-S259 VanDerWaalsContact CD-CB 3.45Å; E22-S259 VanDerWaalsContact CD-OG 3.28Å; E22-S259 WeakPolarHBondContact OE1-CB 3.48Å; E22-S259 PolarHBondContact OE2-OG 3.31Å; E22-P343 WeakPolarHBondContact CA-O 3.46Å; E22-P343 HydrophobicContact CB-CB 4.3Å; E22-P343 WeakPolarHBondContact CB-O 3.49Å; E22-P343 HydrophobicContact CG-CB 4.04Å; E22-P343 PolarHBondContact N-O 3.04Å; E22-P343 VanDerWaalsContact O-O 3.07Å; E22-C344 HydrophobicContact CB-CB 4.35Å
23	R	74.3	Confident	41	Very low	44 Å²	44	87.9 Å²	87.9	17%	0.166	55%	0.547	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	139.6	169.3	-163.4	164.9	-177.8	-173.8	-15.2	109.5	T248 V249 I292 N293 H296 D297	R23-T248 VanDerWaalsContact O-CA 3.32Å; R23-T248 WeakPolarHBondContact O-CA 3.17Å; R23-V249 PolarHBondContact N-O 3.41Å; R23-V249 PolarHBondContact O-N 2.8Å; R23-I292 HydrophobicContact CB-CB 4.46Å; R23-I292 HydrophobicContact CB-CD1 4.07Å; R23-N293 WeakPolarHBondContact CD-OD1 3.45Å; R23-N293 VanDerWaalsContact NH1-CA 3.26Å; R23-N293 PolarHBondContact NH1-OD1 3Å; R23-H296 HydrophobicContact CG-CB 4.24Å; R23-H296 PolarHBondContact NE-CD2 3.02Å; R23-H296 PolarHBondContact NH2-CE1 3.41Å; R23-H296 VanDerWaalsContact NH2-CE1 3.29Å; R23-H296 PolarHBondContact NH2-ND1 2.83Å; R23-D297 IonicContact NH2-OD1 2.75Å
24	A	63.2	Low	41.6	Very low	3 Å²	3	91.3 Å²	91.3	3%	0.025	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-57.7	146.1	170.4	0	0	0	0	0	108.8	D26 C27 H296 C344	A24-D26 PolarHBondContact O-N 3.04Å; A24-C27 HydrophobicContact CB-CB 4.13Å; A24-C27 WeakPolarHBondContact CB-SG 3.47Å; A24-H296 PolarHBondContact O-CD2 3.49Å; A24-H296 VanDerWaalsContact O-CD2 3.22Å; A24-C344 PolarHBondContact N-SG 3.03Å
25	V	50.8	Low	41.7	Very low	7 Å²	7	93 Å²	93	4%	0.042	55%	0.55	C	S	.	*	S	Bend	trans	-67.7	-23.8	-176.7	170.8	0	0	0	0	111.8	L245 A247 V249 L299	V25-L245 HydrophobicContact CG1-CD1 3.65Å; V25-A247 WeakPolarHBondContact CB-O 3.19Å; V25-A247 HydrophobicContact CG2-CB 4.04Å; V25-A247 WeakPolarHBondContact CG2-O 3.45Å; V25-A247 PolarHBondContact N-O 3.49Å; V25-V249 HydrophobicContact CG2-CB 4.42Å; V25-V249 HydrophobicContact CG2-CG1 3.67Å; V25-V249 HydrophobicContact CG2-CG2 4.13Å; V25-L299 HydrophobicContact CG1-CB 4.1Å; V25-L299 HydrophobicContact CG1-CD1 3.32Å; V25-L299 HydrophobicContact CG1-CD2 4.17Å; V25-L299 HydrophobicContact CG1-CG 4.03Å; V25-L299 WeakPolarHBondContact O-CB 3.38Å
26	D	46.3	Very low	42.5	Very low	6 Å²	6	99.6 Å²	99.6	3%	0.032	56%	0.563	C	S	.	*	S	Bend	trans	-170.9	92.4	176.2	171.8	21.1	0	0	0	111.1	A24 K239 P244 L299 Q300	A24-D26 PolarHBondContact O-N 3.04Å; D26-K239 WeakPolarHBondContact OD2-CE 3.5Å; D26-K239 IonicContact OD2-NZ 3.54Å; D26-K239 PolarHBondContact OD2-NZ 3.21Å; D26-P244 WeakPolarHBondContact O-CA 3.4Å; D26-P244 WeakPolarHBondContact O-CB 3.29Å; D26-L299 HydrophobicContact CB-CB 4.27Å; D26-Q300 WeakPolarHBondContact OD1-CA 3.44Å; D26-Q300 WeakPolarHBondContact OD1-CB 3.33Å; D26-Q300 VanDerWaalsContact OD1-CG 3.22Å; D26-Q300 WeakPolarHBondContact OD1-CG 3.45Å
27	C	41.9	Very low	42.6	Very low	14 Å²	14	97.9 Å²	97.9	10%	0.095	55%	0.554	C	S	.	*			trans	-122.5	142.5	170.8	-73.2	0	0	0	0	109.3	A24 G29 H296 E346	A24-C27 HydrophobicContact CB-CB 4.13Å; A24-C27 WeakPolarHBondContact CB-SG 3.47Å; C27-G29 PolarHBondContact O-N 2.92Å; C27-H296 PolarHBondContact N-NE2 3.46Å; C27-H296 PolarHBondContact O-CE1 3.08Å; C27-H296 VanDerWaalsContact O-CE1 3.3Å; C27-H296 PolarHBondContact O-NE2 3.38Å; C27-E346 HydrophobicContact CB-CB 4.04Å; C27-E346 HydrophobicContact CB-CG 4.31Å
28	P	37.1	Very low	43.1	Very low	109 Å²	109	98.6 Å²	98.6	71%	0.708	55%	0.55	S	S	*	.			trans	-63.3	103.1	175.6	24.4	-31.1	0	0	0	109.8
29	G	37.2	Very low	43.3	Very low	43 Å²	43	100.2 Å²	100.2	44%	0.443	55%	0.55	S	S	.	*			trans	-76.8	133.2	176.7	0	0	0	0	0	111.3	C27 E31	C27-G29 PolarHBondContact O-N 2.92Å; G29-E31 PolarHBondContact O-N 3.11Å
30	Q	33.5	Very low	43.2	Very low	198 Å²	198	100.7 Å²	100.7	93%	0.925	55%	0.552	S	S	*	*			trans	-74	115.3	155	-82.3	-175.4	-8.7	0	0	108	G32	Q30-G32 PolarHBondContact O-N 2.91Å
31	E	31.8	Very low	42.7	Very low	193 Å²	193	98.8 Å²	98.8	90%	0.902	55%	0.55	S	S	*	*			trans	-57.5	116.4	-177.8	-71	-177.1	156.8	0	0	112.2	G29 S33	G29-E31 PolarHBondContact O-N 3.11Å; E31-S33 PolarHBondContact O-N 3.18Å
32	G	30.6	Very low	41.6	Very low	84 Å²	84	91 Å²	91	87%	0.866	53%	0.525	S	S	*	.			trans	-84.1	102.5	161.1	0	0	0	0	0	110	Q30	Q30-G32 PolarHBondContact O-N 2.91Å
33	S	27.6	Very low	39.9	Very low	105 Å²	105	95.4 Å²	95.4	73%	0.734	55%	0.546	S	S	*	.			trans	-128.1	122.4	160.5	-171.6	0	0	0	0	110.7	E31 N35	E31-S33 PolarHBondContact O-N 3.18Å; S33-N35 PolarHBondContact O-N 3.26Å
34	L	35.3	Very low	38.4	Very low	171 Å²	171	98.9 Å²	98.9	90%	0.895	57%	0.566	S	S	*	*			trans	-63.9	93.8	173	-80	149.6	0	0	0	109.6
35	N	29	Very low	37.6	Very low	151 Å²	151	104 Å²	104	81%	0.807	59%	0.589	S	S	*	*			trans	-152.1	115.8	149.1	-96.6	-28.6	0	0	0	109.4	S33 S37	S33-N35 PolarHBondContact O-N 3.26Å; N35-S37 PolarHBondContact O-N 3.47Å
36	K	40.8	Very low	37.6	Very low	226 Å²	226	111.7 Å²	111.7	98%	0.983	62%	0.617	S	S	*	*			trans	-60.3	109.6	173.7	-71.4	179	177.3	178.9	0	108.8
37	S	26.9	Very low	37.9	Very low	81 Å²	81	115 Å²	115	57%	0.566	63%	0.634	S	S	*	*			trans	-127.8	145.7	160.3	82.1	0	0	0	0	109.4	N35 H39	N35-S37 PolarHBondContact O-N 3.47Å; S37-H39 PolarHBondContact O-N 3.14Å
38	P	37.1	Very low	38.3	Very low	115 Å²	115	119.4 Å²	119.4	75%	0.747	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-77.2	10.3	-166.1	31.6	-34.3	0	0	0	114.3
39	H	35.2	Very low	39.1	Very low	145 Å²	145	120 Å²	120	67%	0.671	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-85.9	-10.1	-174.6	-88.1	-60.2	0	0	0	115.5	S37 S42	S37-H39 PolarHBondContact O-N 3.14Å; H39-S42 PolarHBondContact O-N 3Å; H39-S42 PolarHBondContact O-OG 3.37Å
40	C	35	Very low	40	Very low	98 Å²	98	125 Å²	125	66%	0.662	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-78.7	-18.5	-179.8	-150.6	0	0	0	0	114.1
41	S	43	Very low	40.8	Very low	63 Å²	63	121.3 Å²	121.3	44%	0.441	64%	0.636	S	S	.	*	H	α-helix	trans	-70.3	-35.3	171.6	103.4	0	0	0	0	111.3	H43 M44 E45	S41-H43 VanDerWaalsContact C-N 3.28Å; S41-H43 PolarHBondContact O-N 3.47Å; S41-M44 PolarHBondContact O-N 3.07Å; S41-E45 WeakPolarHBondContact CB-OE1 3.15Å; S41-E45 VanDerWaalsContact O-CB 3.26Å; S41-E45 WeakPolarHBondContact O-CB 3.42Å; S41-E45 VanDerWaalsContact O-CG 3.25Å; S41-E45 WeakPolarHBondContact O-CG 3.48Å; S41-E45 PolarHBondContact O-N 3.33Å; S41-E45 PolarHBondContact OG-OE1 3.02Å
42	S	39.6	Very low	42	Very low	31 Å²	31	118.1 Å²	118.1	22%	0.217	62%	0.621	C	S	.	*	H	α-helix	trans	-70.1	-20.8	-174.8	81.3	0	0	0	0	114.6	H39 R46	H39-S42 PolarHBondContact O-N 3Å; H39-S42 PolarHBondContact O-OG 3.37Å; S42-R46 WeakPolarHBondContact O-CB 3.27Å; S42-R46 WeakPolarHBondContact O-CG 3.34Å; S42-R46 PolarHBondContact O-N 2.93Å; S42-R46 PolarHBondContact O-NE 2.95Å; S42-R46 PolarHBondContact OG-NH2 2.94Å
43	H	41.1	Very low	43.3	Very low	117 Å²	117	119.5 Å²	119.5	54%	0.542	61%	0.605	S	S	.	*	H	α-helix	trans	-88.4	-41.6	176.6	-166.6	-24.9	0	0	0	111.1	S41 R46 I47	S41-H43 VanDerWaalsContact C-N 3.28Å; S41-H43 PolarHBondContact O-N 3.47Å; H43-R46 PolarHBondContact O-N 3.16Å; H43-I47 WeakPolarHBondContact ND1-CD1 3.28Å; H43-I47 WeakPolarHBondContact O-CG1 3.33Å; H43-I47 PolarHBondContact O-N 3.35Å
44	M	43.2	Very low	44.4	Very low	117 Å²	117	117.4 Å²	117.4	58%	0.576	59%	0.585	S	S	*	*	H	α-helix	trans	-63.5	-40.2	171.4	-89	-172.4	63.3	0	0	111.9	S41 R46 I47 Q48	S41-M44 PolarHBondContact O-N 3.07Å; M44-R46 VanDerWaalsContact C-N 3.32Å; M44-R46 PolarHBondContact O-N 3.02Å; M44-I47 PolarHBondContact O-N 2.98Å; M44-Q48 WeakPolarHBondContact O-CB 3.47Å; M44-Q48 WeakPolarHBondContact O-CG 3.46Å; M44-Q48 PolarHBondContact O-N 3.47Å
45	E	47.3	Very low	45.5	Very low	110 Å²	110	116.5 Å²	116.5	51%	0.514	57%	0.57	S	S	.	*	H	α-helix	trans	-64.7	-35.8	173.3	-76.3	165.2	-151.7	0	0	111.6	S41 H49	S41-E45 WeakPolarHBondContact CB-OE1 3.15Å; S41-E45 VanDerWaalsContact O-CB 3.26Å; S41-E45 WeakPolarHBondContact O-CB 3.42Å; S41-E45 VanDerWaalsContact O-CG 3.25Å; S41-E45 WeakPolarHBondContact O-CG 3.48Å; S41-E45 PolarHBondContact O-N 3.33Å; S41-E45 PolarHBondContact OG-OE1 3.02Å; E45-H49 WeakPolarHBondContact O-CB 3.24Å; E45-H49 PolarHBondContact O-N 2.92Å
46	R	49.9	Very low	46.8	Very low	168 Å²	168	115.2 Å²	115.2	63%	0.634	56%	0.557	S	S	*	*	H	α-helix	trans	-67.8	-38.4	173.3	-92.5	-179.2	-93	-173.5	-8.2	112.8	S42 H43 M44 Y50	S42-R46 WeakPolarHBondContact O-CB 3.27Å; S42-R46 WeakPolarHBondContact O-CG 3.34Å; S42-R46 PolarHBondContact O-N 2.93Å; S42-R46 PolarHBondContact O-NE 2.95Å; S42-R46 PolarHBondContact OG-NH2 2.94Å; H43-R46 PolarHBondContact O-N 3.16Å; M44-R46 VanDerWaalsContact C-N 3.32Å; M44-R46 PolarHBondContact O-N 3.02Å; R46-Y50 WeakPolarHBondContact O-CB 3.26Å; R46-Y50 PolarHBondContact O-N 2.93Å
47	I	52	Low	47.2	Very low	76 Å²	76	112.5 Å²	112.5	39%	0.39	54%	0.541	S	S	.	.	H	α-helix	trans	-69.2	-43.4	176.1	-68	165.1	0	0	0	110.3	H43 M44 Y50 Q51	H43-I47 WeakPolarHBondContact ND1-CD1 3.28Å; H43-I47 WeakPolarHBondContact O-CG1 3.33Å; H43-I47 PolarHBondContact O-N 3.35Å; M44-I47 PolarHBondContact O-N 2.98Å; I47-Y50 PolarHBondContact O-N 2.83Å; I47-Q51 HydrophobicContact CG2-CG 4.49Å; I47-Q51 WeakPolarHBondContact O-CB 3.41Å; I47-Q51 VanDerWaalsContact O-CG 3.27Å; I47-Q51 WeakPolarHBondContact O-CG 3.35Å; I47-Q51 PolarHBondContact O-N 3.4Å
48	Q	51.3	Low	48.6	Very low	107 Å²	107	117 Å²	117	50%	0.5	55%	0.545	S	S	.	.	H	α-helix	trans	-65	-44.2	175.8	-74.1	178.2	-4.8	0	0	111.4	M44 Y50 Q51 E52	M44-Q48 WeakPolarHBondContact O-CB 3.47Å; M44-Q48 WeakPolarHBondContact O-CG 3.46Å; M44-Q48 PolarHBondContact O-N 3.47Å; Q48-Y50 VanDerWaalsContact C-N 3.33Å; Q48-Y50 PolarHBondContact O-N 2.96Å; Q48-Q51 PolarHBondContact O-N 3.5Å; Q48-E52 VanDerWaalsContact O-CB 3.28Å; Q48-E52 WeakPolarHBondContact O-CB 3.49Å; Q48-E52 PolarHBondContact O-N 3.48Å
49	H	52.8	Low	49.3	Very low	121 Å²	121	117 Å²	117	56%	0.56	54%	0.535	S	S	*	.	H	α-helix	trans	-63.7	-37.4	175.7	-172.2	-78.6	0	0	0	112.1	E45 E52 E53	E45-H49 WeakPolarHBondContact O-CB 3.24Å; E45-H49 PolarHBondContact O-N 2.92Å; H49-E52 PolarHBondContact O-N 3.03Å; H49-E53 WeakPolarHBondContact O-CB 3.33Å; H49-E53 PolarHBondContact O-N 3.21Å
50	Y	56.7	Low	49.8	Very low	149 Å²	149	115.7 Å²	115.7	58%	0.584	53%	0.529	S	S	*	.	H	α-helix	trans	-69.8	-38.6	175.7	-174.7	-108.2	0	0	0	112.3	R46 I47 Q48 E53 L54	R46-Y50 WeakPolarHBondContact O-CB 3.26Å; R46-Y50 PolarHBondContact O-N 2.93Å; I47-Y50 PolarHBondContact O-N 2.83Å; Q48-Y50 VanDerWaalsContact C-N 3.33Å; Q48-Y50 PolarHBondContact O-N 2.96Å; Y50-E53 PolarHBondContact O-N 3.43Å; Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CE1-CD1 3.51Å; Y50-L54 HydrophobicContact CE1-CG 4.28Å; Y50-L54 WeakPolarHBondContact O-CB 3.34Å; Y50-L54 WeakPolarHBondContact O-CG 3.33Å; Y50-L54 PolarHBondContact O-N 3Å
51	Q	51.5	Low	50.3	Low	119 Å²	119	117.6 Å²	117.6	56%	0.556	53%	0.528	S	S	*	.	H	α-helix	trans	-68.5	-36.5	173.8	-73.6	177.5	-4.9	0	0	112.1	I47 Q48 L54 R55	I47-Q51 HydrophobicContact CG2-CG 4.49Å; I47-Q51 WeakPolarHBondContact O-CB 3.41Å; I47-Q51 VanDerWaalsContact O-CG 3.27Å; I47-Q51 WeakPolarHBondContact O-CG 3.35Å; I47-Q51 PolarHBondContact O-N 3.4Å; Q48-Q51 PolarHBondContact O-N 3.5Å; Q51-L54 PolarHBondContact O-N 2.95Å; Q51-R55 WeakPolarHBondContact O-CB 3.46Å; Q51-R55 PolarHBondContact O-N 2.9Å
52	E	56.8	Low	50.2	Low	127 Å²	127	117.3 Å²	117.3	59%	0.593	54%	0.535	S	S	*	.	H	α-helix	trans	-69.2	-40.6	173.8	-161.2	106.7	-137.5	0	0	111	Q48 H49 R55 K56	Q48-E52 VanDerWaalsContact O-CB 3.28Å; Q48-E52 WeakPolarHBondContact O-CB 3.49Å; Q48-E52 PolarHBondContact O-N 3.48Å; H49-E52 PolarHBondContact O-N 3.03Å; E52-R55 WeakPolarHBondContact O-CB 3.47Å; E52-R55 PolarHBondContact O-N 3.23Å; E52-K56 WeakPolarHBondContact O-CB 3.18Å; E52-K56 PolarHBondContact O-N 2.94Å
53	E	57.2	Low	50.4	Low	112 Å²	112	124.9 Å²	124.9	52%	0.523	56%	0.564	S	S	.	*	H	α-helix	trans	-64.3	-40.9	172.1	-88.4	-155.7	135.8	0	0	112.2	H49 Y50 R55 K56 R57	H49-E53 WeakPolarHBondContact O-CB 3.33Å; H49-E53 PolarHBondContact O-N 3.21Å; Y50-E53 PolarHBondContact O-N 3.43Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.23Å; E53-K56 PolarHBondContact O-N 3.28Å; E53-R57 WeakPolarHBondContact O-CB 3.36Å; E53-R57 PolarHBondContact O-N 2.98Å
54	L	49.9	Very low	50.4	Low	61 Å²	61	121.7 Å²	121.7	32%	0.319	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-29.5	174.3	-77.4	172	0	0	0	112.7	Y50 Q51 R58	Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CE1-CD1 3.51Å; Y50-L54 HydrophobicContact CE1-CG 4.28Å; Y50-L54 WeakPolarHBondContact O-CB 3.34Å; Y50-L54 WeakPolarHBondContact O-CG 3.33Å; Y50-L54 PolarHBondContact O-N 3Å; Q51-L54 PolarHBondContact O-N 2.95Å; L54-R58 PolarHBondContact O-N 3.45Å; L54-R58 PolarHBondContact O-NE 3.43Å
55	R	60.3	Low	50.2	Low	152 Å²	152	127.6 Å²	127.6	57%	0.574	58%	0.579	S	S	*	*	H	α-helix	trans	-72.9	-43.1	172.9	-169	179.8	-177.6	163.1	6.3	110.6	Q51 E52 E53 R58 E59	Q51-R55 WeakPolarHBondContact O-CB 3.46Å; Q51-R55 PolarHBondContact O-N 2.9Å; E52-R55 WeakPolarHBondContact O-CB 3.47Å; E52-R55 PolarHBondContact O-N 3.23Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.23Å; R55-R58 PolarHBondContact O-N 2.89Å; R55-E59 IonicContact NE-OE1 2.76Å; R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.31Å
56	K	54.7	Low	49.7	Very low	125 Å²	125	130.8 Å²	130.8	54%	0.543	59%	0.594	S	S	.	*	H	α-helix	trans	-67.6	-36.8	177.4	-153.5	177.5	-178.5	-175.8	0	112.3	E52 E53 E59 E60	E52-K56 WeakPolarHBondContact O-CB 3.18Å; E52-K56 PolarHBondContact O-N 2.94Å; E53-K56 PolarHBondContact O-N 3.28Å; K56-E59 CarbonylContact O-C 3.52Å; K56-E59 PolarHBondContact O-N 2.96Å; K56-E60 VanDerWaalsContact O-CB 3.3Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.28Å; K56-E60 PolarHBondContact O-N 3.17Å
57	R	50.6	Low	49.1	Very low	169 Å²	169	130.9 Å²	130.9	64%	0.638	61%	0.607	S	S	*	*	H	α-helix	trans	-65.2	-39.3	172.3	-130.7	-176.9	-162.9	-169.4	4	112	E53 E60 E61	E53-R57 WeakPolarHBondContact O-CB 3.36Å; E53-R57 PolarHBondContact O-N 2.98Å; R57-E60 PolarHBondContact O-N 3.26Å; R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 VanDerWaalsContact O-CG 3.3Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 3Å
58	R	55.6	Low	48.5	Very low	174 Å²	174	134.7 Å²	134.7	66%	0.657	63%	0.626	S	S	*	*	H	α-helix	trans	-66.6	-35.2	172.3	-85.4	-177.6	-83	-150.7	-0.8	112.7	L54 R55 G62	L54-R58 PolarHBondContact O-N 3.45Å; L54-R58 PolarHBondContact O-NE 3.43Å; R55-R58 PolarHBondContact O-N 2.89Å; R58-G62 PolarHBondContact O-N 3.5Å
59	E	52.2	Low	48	Very low	116 Å²	116	134 Å²	134	54%	0.542	63%	0.626	S	S	.	*	H	α-helix	trans	-76.2	-28.3	175.3	-72.8	175.1	-170.2	0	0	112.9	R55 K56	R55-E59 IonicContact NE-OE1 2.76Å; R55-E59 WeakPolarHBondContact O-CG 3.48Å; R55-E59 PolarHBondContact O-N 3.31Å; K56-E59 CarbonylContact O-C 3.52Å; K56-E59 PolarHBondContact O-N 2.96Å
60	E	45.5	Very low	47.3	Very low	118 Å²	118	133.5 Å²	133.5	55%	0.551	63%	0.634	S	S	*	*	H	α-helix	trans	-81.8	-38.2	175.3	-74.9	174.6	-173.6	0	0	112.4	K56 R57 G62 K63	K56-E60 VanDerWaalsContact O-CB 3.3Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.28Å; K56-E60 PolarHBondContact O-N 3.17Å; R57-E60 PolarHBondContact O-N 3.26Å; E60-G62 PolarHBondContact O-N 3.31Å; E60-K63 PolarHBondContact O-N 2.8Å
61	E	45	Very low	46.6	Very low	137 Å²	137	132 Å²	132	64%	0.64	64%	0.636	S	S	*	*	H	α-helix	trans	-64.2	-27.1	169	-75.9	176.5	179.6	0	0	111.6	R57 K63 G64	R57-E61 VanDerWaalsContact O-CB 3.29Å; R57-E61 WeakPolarHBondContact O-CB 3.45Å; R57-E61 VanDerWaalsContact O-CG 3.3Å; R57-E61 WeakPolarHBondContact O-CG 3.4Å; R57-E61 PolarHBondContact O-N 3Å; E61-K63 PolarHBondContact O-N 3.28Å; E61-G64 PolarHBondContact O-N 3.03Å
62	G	40.4	Very low	46.2	Very low	57 Å²	57	130 Å²	130	59%	0.588	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-11.2	169.6	0	0	0	0	0	115.1	R58 E60	R58-G62 PolarHBondContact O-N 3.5Å; E60-G62 PolarHBondContact O-N 3.31Å
63	K	44.3	Very low	45.8	Very low	190 Å²	190	126.5 Å²	126.5	83%	0.826	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.6	2	179.7	-72.6	-179.2	179.1	172.7	0	114.4	E60 E61	E60-K63 PolarHBondContact O-N 2.8Å; E61-K63 PolarHBondContact O-N 3.28Å
64	G	40.6	Very low	45.2	Very low	51 Å²	51	127.7 Å²	127.7	53%	0.526	64%	0.639	S	S	.	*			trans	-128.1	58.8	179.6	0	0	0	0	0	112.9	E61 H66	E61-G64 PolarHBondContact O-N 3.03Å; G64-H66 PolarHBondContact O-N 2.83Å
65	R	39.1	Very low	44.9	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	66%	0.661	S	S	*	*			trans	-72.1	97.8	165.3	-76.8	-171.8	-178.6	-176.1	0.7	108.7	D67	R65-D67 PolarHBondContact O-N 3.41Å
66	H	37.4	Very low	44	Very low	178 Å²	178	133.1 Å²	133.1	82%	0.824	66%	0.663	S	S	*	*			trans	-60.2	126.6	150.4	-83.6	-72.3	0	0	0	107.9	G64 I68	G64-H66 PolarHBondContact O-N 2.83Å; H66-I68 PolarHBondContact O-N 2.87Å
67	D	37.8	Very low	43.6	Very low	170 Å²	170	133.5 Å²	133.5	91%	0.909	66%	0.664	S	S	*	*			trans	-48.2	109.7	170	-96.2	-34.9	0	0	0	109.9	R65	R65-D67 PolarHBondContact O-N 3.41Å
68	I	38.9	Very low	43.5	Very low	155 Å²	155	132.7 Å²	132.7	80%	0.795	67%	0.666	S	S	*	*			trans	-90.7	102.7	163.4	-61.8	174.7	0	0	0	105.6	H66 P70	H66-I68 PolarHBondContact O-N 2.87Å; I68-P70 WeakPolarHBondContact O-CD 3.24Å
69	D	40	Very low	42.9	Very low	92 Å²	92	130.9 Å²	130.9	49%	0.492	67%	0.668	S	S	.	*			trans	-56.6	116.5	172.2	177.2	7.3	0	0	0	109.8	N71 A72	D69-N71 PolarHBondContact O-N 3.01Å; D69-N71 WeakPolarHBondContact OD1-CB 3.13Å; D69-N71 PolarHBondContact OD1-N 3.41Å; D69-A72 PolarHBondContact O-N 2.76Å
70	P	38.1	Very low	42.5	Very low	112 Å²	112	130 Å²	130	73%	0.727	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-3.4	179.4	26.7	-32.4	0	0	0	113.6	I68	I68-P70 WeakPolarHBondContact O-CD 3.24Å
71	N	41.9	Very low	42.4	Very low	117 Å²	117	131.4 Å²	131.4	63%	0.626	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	1.5	175.1	-72.7	-50.6	0	0	0	115.4	D69 S73	D69-N71 PolarHBondContact O-N 3.01Å; D69-N71 WeakPolarHBondContact OD1-CB 3.13Å; D69-N71 PolarHBondContact OD1-N 3.41Å; N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.35Å
72	A	43.5	Very low	42.1	Very low	76 Å²	76	132 Å²	132	63%	0.628	69%	0.689	S	S	*	*			trans	-72.9	-13.5	-178.1	0	0	0	0	0	114.3	D69 L74	D69-A72 PolarHBondContact O-N 2.76Å; A72-L74 PolarHBondContact O-N 2.99Å
73	S	48.4	Very low	42	Very low	54 Å²	54	134.6 Å²	134.6	38%	0.378	70%	0.696	S	S	.	*			trans	-86.4	100.4	179	-172.6	0	0	0	0	111.8	N71 R75 L76	N71-S73 VanDerWaalsContact C-N 3.25Å; N71-S73 PolarHBondContact O-N 3.35Å; S73-R75 PolarHBondContact O-N 3.31Å; S73-L76 PolarHBondContact O-N 3.05Å; S73-L76 VanDerWaalsContact O-N 3.14Å
74	L	44.4	Very low	41.8	Very low	138 Å²	138	135 Å²	135	72%	0.723	70%	0.697	S	S	*	*	H	α-helix	trans	-53.6	-22.4	170.4	-95.7	98	0	0	0	113.2	A72 K78	A72-L74 PolarHBondContact O-N 2.99Å; L74-K78 PolarHBondContact O-N 2.83Å
75	R	43.3	Very low	41.4	Very low	209 Å²	209	140.2 Å²	140.2	79%	0.789	71%	0.712	S	S	*	*	H	α-helix	trans	-73.5	-36.2	-179.1	-155.6	173.7	-178.2	174.6	0.2	112.3	S73	S73-R75 PolarHBondContact O-N 3.31Å
76	L	42.2	Very low	41.2	Very low	117 Å²	117	132.3 Å²	132.3	61%	0.613	70%	0.704	S	S	*	*	H	α-helix	trans	-74.3	-32.1	176.5	-93.7	140.8	0	0	0	112.5	S73 K78 L79	S73-L76 PolarHBondContact O-N 3.05Å; S73-L76 VanDerWaalsContact O-N 3.14Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.95Å; L76-L79 PolarHBondContact O-N 3.45Å
77	K	46.2	Very low	41.1	Very low	133 Å²	133	131.3 Å²	131.3	58%	0.578	70%	0.704	S	S	*	*	H	α-helix	trans	-68.1	-26.8	175.5	-125.2	174.3	-174.7	171.9	0	113.6	S80	K77-S80 PolarHBondContact O-OG 3.12Å
78	K	48.7	Very low	40.9	Very low	153 Å²	153	130.7 Å²	130.7	67%	0.665	70%	0.7	S	S	*	*	H	α-helix	trans	-81.2	-24.2	176.3	-77.7	-175	176.2	-178.5	0	113.5	L74 L76	L74-K78 PolarHBondContact O-N 2.83Å; L76-K78 VanDerWaalsContact C-N 3.31Å; L76-K78 PolarHBondContact O-N 2.95Å
79	L	42.3	Very low	40.5	Very low	136 Å²	136	130 Å²	130	71%	0.712	70%	0.698	S	S	*	*	H	α-helix	trans	-80.4	-24.8	178.6	-86.8	155.9	0	0	0	113.4	L76 Q81	L76-L79 PolarHBondContact O-N 3.45Å; L79-Q81 VanDerWaalsContact C-N 3.29Å; L79-Q81 PolarHBondContact O-N 3.26Å
80	S	43.8	Very low	40.4	Very low	97 Å²	97	131.5 Å²	131.5	68%	0.678	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-3.9	178.3	65.9	0	0	0	0	114.6	K77	K77-S80 PolarHBondContact O-OG 3.12Å
81	Q	43.8	Very low	40.2	Very low	147 Å²	147	131.2 Å²	131.2	69%	0.687	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	1.4	-173.5	-69.4	-171.7	-4.7	0	0	115.5	L79	L79-Q81 VanDerWaalsContact C-N 3.29Å; L79-Q81 PolarHBondContact O-N 3.26Å
82	N	40	Very low	39.6	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	72%	0.723	S	S	*	*			trans	-107.4	113.9	177.4	-95.3	-15.5	0	0	0	112.6
83	P	37.1	Very low	39.1	Very low	113 Å²	113	141.4 Å²	141.4	73%	0.734	74%	0.737	S	S	*	*			trans	-83.6	121.6	172.9	32.3	-27.7	0	0	0	110.2
84	K	39.8	Very low	38.2	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	75%	0.753	S	S	*	*			trans	37.9	115.1	157.3	-60.7	-176.8	-179.4	-177.7	0	118.3
85	I	32.7	Very low	37.8	Very low	161 Å²	161	145.9 Å²	145.9	83%	0.826	76%	0.764	S	S	*	*				-151.4	120	127	-83.7	126.7	0	0	0	106
86	G	35.1	Very low	37.2	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	77%	0.768	S	S	*	*			trans	-78.5	137.8	170.8	0	0	0	0	0	109.6
87	I	36.1	Very low	36.6	Very low	158 Å²	158	148.9 Å²	148.9	81%	0.81	78%	0.781	S	S	*	*			trans	-108.2	115.8	166.1	-60.7	176.5	0	0	0	105.8
88	D	31.9	Very low	35.6	Very low	157 Å²	157	147.2 Å²	147.2	84%	0.84	79%	0.791	S	S	*	*			trans	-58.4	133.4	172.3	-75.3	-42.4	0	0	0	109.9	P90	D88-P90 WeakPolarHBondContact O-CD 3.28Å
89	N	30.8	Very low	34.6	Very low	140 Å²	140	145.7 Å²	145.7	75%	0.749	80%	0.795	S	S	*	*			trans	-94.5	107.6	176.8	-164.6	9.3	0	0	0	109	T91	N89-T91 PolarHBondContact O-N 3.3Å; N89-T91 VanDerWaalsContact O-N 3.15Å; N89-T91 PolarHBondContact OD1-OG1 2.94Å
90	P	38.7	Very low	34.1	Very low	123 Å²	123	146.8 Å²	146.8	80%	0.799	80%	0.802	S	S	*	*			trans	-88.7	78.6	-178.9	35.4	-29	0	0	0	109.1	D88	D88-P90 WeakPolarHBondContact O-CD 3.28Å
91	T	33.3	Very low	33.3	Very low	106 Å²	106	150.8 Å²	150.8	65%	0.65	81%	0.807	S	S	*	*			trans	-125.3	19.8	172.9	-30.4	0	0	0	0	112.8	N89	N89-T91 PolarHBondContact O-N 3.3Å; N89-T91 VanDerWaalsContact O-N 3.15Å; N89-T91 PolarHBondContact OD1-OG1 2.94Å
92	F	30	Very low	32.8	Very low	211 Å²	211	150.4 Å²	150.4	93%	0.925	81%	0.814	S	S	*	*			trans	-136.9	77.8	175.2	-133.2	-91.2	0	0	0	111.9
93	E	31.9	Very low	32.6	Very low	197 Å²	197	149.4 Å²	149.4	92%	0.921	81%	0.814	S	S	*	*			trans	-124.9	123.9	153	-75.7	-156.9	160.7	0	0	110.5
94	G	29.6	Very low	32.8	Very low	69 Å²	69	147.8 Å²	147.8	71%	0.711	80%	0.804	S	S	*	*			trans	67.9	109.3	134.7	0	0	0	0	0	119.2	E96	G94-E96 PolarHBondContact O-N 3.41Å; G94-E96 VanDerWaalsContact O-N 3.07Å
95	K	36.5	Very low	33.5	Very low	216 Å²	216	142.9 Å²	142.9	94%	0.939	79%	0.787	S	S	*	*			trans	-52	109.5	157.8	-75.5	176.5	173	175.9	0	111
96	E	30.5	Very low	35.1	Very low	187 Å²	187	139.5 Å²	139.5	87%	0.874	77%	0.77	S	S	*	*			trans	-132.9	149.3	151.6	-72.6	-154.2	156.6	0	0	111	G94 A98	G94-E96 PolarHBondContact O-N 3.41Å; G94-E96 VanDerWaalsContact O-N 3.07Å; E96-A98 PolarHBondContact O-N 3.31Å
97	K	29.8	Very low	36.5	Very low	203 Å²	203	136.7 Å²	136.7	88%	0.883	74%	0.739	S	S	*	*			trans	-52	116.1	-164.7	-67.1	167.7	176.8	173.1	0	112.3	T99	K97-T99 PolarHBondContact O-N 3.41Å
98	A	25.3	Very low	37.9	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	72%	0.717	S	S	*	*			trans	-68	94	172.6	0	0	0	0	0	110.6	E96	E96-A98 PolarHBondContact O-N 3.31Å
99	T	27.7	Very low	39.9	Very low	121 Å²	121	127.2 Å²	127.2	74%	0.742	69%	0.694	S	S	*	*			trans	-71.3	115.8	149.1	45.4	0	0	0	0	107.3	K97 K101	K97-T99 PolarHBondContact O-N 3.41Å; T99-K101 PolarHBondContact O-N 3.12Å
100	N	31.8	Very low	42.2	Very low	160 Å²	160	124.8 Å²	124.8	86%	0.856	68%	0.678	S	S	*	*			trans	-53.9	97.6	171.8	-80.6	-18.5	0	0	0	110.5
101	K	27.5	Very low	44.3	Very low	181 Å²	181	119.2 Å²	119.2	79%	0.787	64%	0.641	S	S	*	*			trans	-120.6	100.5	154.8	-80.4	-171.4	175.1	-177	0	106.2	T99 T103	T99-K101 PolarHBondContact O-N 3.12Å; K101-T103 PolarHBondContact O-N 3.04Å; K101-T103 VanDerWaalsContact O-N 3.11Å
102	V	32.3	Very low	46.7	Very low	139 Å²	139	119.1 Å²	119.1	84%	0.842	63%	0.634	S	S	*	*			trans	-62.5	106.8	161.4	176.2	0	0	0	0	105.5	C104	V102-C104 PolarHBondContact O-N 3.38Å
103	T	36.3	Very low	49.3	Very low	128 Å²	128	114.6 Å²	114.6	79%	0.785	62%	0.615	S	S	*	*			trans	-72.2	97.8	171	-24.6	0	0	0	0	106.5	K101 L105	K101-T103 PolarHBondContact O-N 3.04Å; K101-T103 VanDerWaalsContact O-N 3.11Å; T103-L105 PolarHBondContact O-N 3.48Å
104	C	41.7	Very low	51.9	Low	79 Å²	79	109 Å²	109	53%	0.534	59%	0.591	S	S	.	*			trans	-71.4	109.9	171.3	-167.2	0	0	0	0	107.2	V102 Q158	V102-C104 PolarHBondContact O-N 3.38Å; C104-Q158 PolarHBondContact SG-NE2 2.89Å
105	L	55	Low	54.7	Low	94 Å²	94	106.7 Å²	106.7	49%	0.492	56%	0.563	S	S	.	*			trans	-73.1	141.3	167.3	-72.1	168.1	0	0	0	108.1	T103 E110	T103-L105 PolarHBondContact O-N 3.48Å; L105-E110 HydrophobicContact CB-CG 4.48Å
106	D	65.1	Low	57	Low	91 Å²	91	102.4 Å²	102.4	49%	0.487	55%	0.546	S	S	.	.			trans	-63.8	125.4	178.6	-172	-28.1	0	0	0	108.6	V108 V109 E110	D106-V108 PolarHBondContact O-N 2.74Å; D106-V108 PolarHBondContact OD1-N 3.33Å; D106-V108 VanDerWaalsContact OD1-N 3.12Å; D106-V109 HydrophobicContact CB-CG2 3.98Å; D106-V109 WeakPolarHBondContact O-CA 3.23Å; D106-V109 VanDerWaalsContact O-CB 3.3Å; D106-V109 WeakPolarHBondContact O-CB 3.47Å; D106-V109 PolarHBondContact O-N 3.17Å; D106-E110 PolarHBondContact O-N 3.03Å
107	P	63.9	Low	59.7	Low	14 Å²	14	97.4 Å²	97.4	9%	0.091	53%	0.528	C	S	.	.	H	α-helix	trans	-58.6	-20.8	-178.1	20.6	-32.1	0	0	0	113.5	V109 L111 Y150 S154	P107-V109 VanDerWaalsContact C-N 3.29Å; P107-L111 PolarHBondContact O-N 3.03Å; P107-Y150 HydrophobicContact CB-CE1 4.18Å; P107-Y150 WeakPolarHBondContact O-CE1 3.44Å; P107-S154 VanDerWaalsContact CB-OG 3.26Å; P107-S154 WeakPolarHBondContact CB-OG 3.3Å; P107-S154 WeakPolarHBondContact CG-OG 3.32Å
108	V	66.8	Low	62.5	Low	57 Å²	57	89.1 Å²	89.1	35%	0.345	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-35.3	171.4	-178.8	0	0	0	0	111.4	D106 E112	D106-V108 PolarHBondContact O-N 2.74Å; D106-V108 PolarHBondContact OD1-N 3.33Å; D106-V108 VanDerWaalsContact OD1-N 3.12Å; V108-E112 WeakPolarHBondContact O-CG 3.19Å; V108-E112 PolarHBondContact O-N 3.43Å
109	V	72.9	Confident	65.4	Low	59 Å²	59	89.3 Å²	89.3	36%	0.358	48%	0.476	S	S	.	.	H	α-helix	trans	-73.5	-41.2	-179.6	178.7	0	0	0	0	111.1	D106 P107 L111 E112 E113	D106-V109 HydrophobicContact CB-CG2 3.98Å; D106-V109 WeakPolarHBondContact O-CA 3.23Å; D106-V109 VanDerWaalsContact O-CB 3.3Å; D106-V109 WeakPolarHBondContact O-CB 3.47Å; D106-V109 PolarHBondContact O-N 3.17Å; P107-V109 VanDerWaalsContact C-N 3.29Å; V109-L111 PolarHBondContact O-N 3.41Å; V109-E112 PolarHBondContact O-N 3.44Å; V109-E113 WeakPolarHBondContact O-CG 3.36Å; V109-E113 PolarHBondContact O-N 2.87Å
110	E	79.1	Confident	68.2	Low	89 Å²	89	91.9 Å²	91.9	42%	0.416	47%	0.472	S	S	.	.	H	α-helix	trans	-62.5	-40.4	178	-71.2	-172.5	166.4	0	0	112.6	L105 D106 E112 E113 L114	L105-E110 HydrophobicContact CB-CG 4.48Å; D106-E110 PolarHBondContact O-N 3.03Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E110-E113 PolarHBondContact O-N 2.86Å; E110-L114 PolarHBondContact O-N 3.3Å
111	L	83.3	Confident	70.8	Confident	6 Å²	6	86.5 Å²	86.5	3%	0.031	45%	0.445	C	S	.	.	H	α-helix	trans	-69.3	-34.1	178	-173.4	61.7	0	0	0	111.9	P107 V109 L114 L115 L141 F146 R147 Y150	P107-L111 PolarHBondContact O-N 3.03Å; V109-L111 PolarHBondContact O-N 3.41Å; L111-L114 HydrophobicContact CD1-CD2 4.47Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 3.42Å; L111-L141 HydrophobicContact CD1-CD2 4.46Å; L111-F146 HydrophobicContact CD1-CE1 4.35Å; L111-R147 HydrophobicContact CD2-CB 4.41Å; L111-R147 HydrophobicContact CD2-CG 3.83Å; L111-Y150 HydrophobicContact CB-CD1 4.27Å; L111-Y150 HydrophobicContact CB-CE1 4.04Å; L111-Y150 HydrophobicContact CD2-CD1 4.04Å
112	E	83.6	Confident	73.7	Confident	104 Å²	104	79.8 Å²	79.8	49%	0.486	42%	0.416	S	S	.	.	H	α-helix	trans	-70	-39.1	174.8	-77	-178.2	-179.3	0	0	112.5	V108 V109 E110 L115 Q116 R147	V108-E112 WeakPolarHBondContact O-CG 3.19Å; V108-E112 PolarHBondContact O-N 3.43Å; V109-E112 PolarHBondContact O-N 3.44Å; E110-E112 VanDerWaalsContact C-N 3.34Å; E112-L115 PolarHBondContact O-N 3.04Å; E112-Q116 WeakPolarHBondContact O-CB 2.92Å; E112-Q116 PolarHBondContact O-N 3.3Å; E112-R147 IonicContact OE1-NH2 3.96Å; E112-R147 PolarHBondContact OE1-NH2 3.41Å
113	E	85.5	Confident	76.2	Confident	115 Å²	115	80.9 Å²	80.9	54%	0.537	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-44	172.1	-74	-176.9	174.7	0	0	111.5	V109 E110 L115 Q116 V117	V109-E113 WeakPolarHBondContact O-CG 3.36Å; V109-E113 PolarHBondContact O-N 2.87Å; E110-E113 PolarHBondContact O-N 2.86Å; E113-L115 PolarHBondContact O-N 3.11Å; E113-Q116 WeakPolarHBondContact O-CB 3.46Å; E113-Q116 PolarHBondContact O-N 3.19Å; E113-Q116 VanDerWaalsContact O-N 3.14Å; E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 2.84Å
114	L	85.6	Confident	78.5	Confident	80 Å²	80	78.1 Å²	78.1	42%	0.419	40%	0.398	S	S	.	.	H	α-helix	trans	-61	-44.4	176.2	179.7	61.9	0	0	0	112	E110 L111 Q116 V117 L118 L141	E110-L114 PolarHBondContact O-N 3.3Å; L111-L114 HydrophobicContact CD1-CD2 4.47Å; L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 3.4Å; L114-V117 PolarHBondContact O-N 3.24Å; L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.41Å; L114-L118 HydrophobicContact CG-CD1 4.18Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 3.3Å; L114-L141 HydrophobicContact CD2-CD1 4.04Å; L114-L141 HydrophobicContact CG-CD1 4.45Å
115	L	87.7	Confident	80.7	Confident	21 Å²	21	76.7 Å²	76.7	11%	0.11	39%	0.385	C	S	.	.	H	α-helix	trans	-61.6	-36.1	175.3	-75.6	169.7	0	0	0	111.8	L111 E112 E113 K119 T138 L141	L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.42Å; L111-L115 PolarHBondContact O-N 3.42Å; E112-L115 PolarHBondContact O-N 3.04Å; E113-L115 PolarHBondContact O-N 3.11Å; L115-K119 WeakPolarHBondContact O-CG 3.48Å; L115-K119 PolarHBondContact O-N 3.43Å; L115-K119 VanDerWaalsContact O-N 3.11Å; L115-T138 HydrophobicContact CD2-CG2 4Å; L115-L141 HydrophobicContact CD2-CB 3.79Å
116	Q	85.9	Confident	82.1	Confident	125 Å²	125	77.8 Å²	77.8	58%	0.584	40%	0.4	S	S	*	.	H	α-helix	trans	-70	-38.9	177.3	-168	61.8	23.9	0	0	112.1	E112 E113 L114 K119 W120	E112-Q116 WeakPolarHBondContact O-CB 2.92Å; E112-Q116 PolarHBondContact O-N 3.3Å; E113-Q116 WeakPolarHBondContact O-CB 3.46Å; E113-Q116 PolarHBondContact O-N 3.19Å; E113-Q116 VanDerWaalsContact O-N 3.14Å; L114-Q116 VanDerWaalsContact C-N 3.26Å; L114-Q116 PolarHBondContact O-N 3.4Å; Q116-K119 PolarHBondContact O-N 2.83Å; Q116-W120 PolarHBondContact O-N 3.01Å; Q116-W120 VanDerWaalsContact O-N 3.12Å
117	V	87.8	Confident	83.2	Confident	82 Å²	82	76.4 Å²	76.4	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-65.9	-44.1	174.5	172.8	0	0	0	0	110.9	E113 L114 K119 W120 V121	E113-V117 WeakPolarHBondContact O-CG2 3.49Å; E113-V117 PolarHBondContact O-N 2.84Å; L114-V117 PolarHBondContact O-N 3.24Å; V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.23Å; V117-W120 WeakPolarHBondContact O-CB 3.39Å; V117-W120 PolarHBondContact O-N 2.81Å; V117-V121 HydrophobicContact CG1-CG2 4.29Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.39Å
118	L	87.4	Confident	84.3	Confident	30 Å²	30	79.4 Å²	79.4	16%	0.157	41%	0.414	C	S	.	.	H	α-helix	trans	-61.3	-40	177.9	-73.1	170.8	0	0	0	112	L114 W120 V121 Q122 V134 V137 L141	L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.41Å; L114-L118 HydrophobicContact CG-CD1 4.18Å; L114-L118 WeakPolarHBondContact O-CG 3.44Å; L114-L118 PolarHBondContact O-N 3.3Å; L118-W120 VanDerWaalsContact C-N 3.33Å; L118-W120 PolarHBondContact O-N 3.04Å; L118-V121 PolarHBondContact O-N 2.8Å; L118-Q122 WeakPolarHBondContact O-CB 3.44Å; L118-Q122 PolarHBondContact O-N 2.94Å; L118-V134 HydrophobicContact CB-CG1 4.42Å; L118-V134 HydrophobicContact CD2-CG1 4.42Å; L118-V134 WeakPolarHBondContact O-CG1 3.42Å; L118-V137 HydrophobicContact CD1-CG1 4.21Å; L118-L141 HydrophobicContact CD1-CD1 3.45Å; L118-L141 VanDerWaalsContact CD1-CD1 3.45Å
119	K	86.2	Confident	85.4	Confident	100 Å²	100	82 Å²	82	44%	0.435	42%	0.423	S	S	.	.	H	α-helix	trans	-62.1	-37.9	172	-76.1	176.3	-178.8	175.5	0	112.8	L115 Q116 V117 H123	L115-K119 WeakPolarHBondContact O-CG 3.48Å; L115-K119 PolarHBondContact O-N 3.43Å; L115-K119 VanDerWaalsContact O-N 3.11Å; Q116-K119 PolarHBondContact O-N 2.83Å; V117-K119 VanDerWaalsContact C-N 3.32Å; V117-K119 PolarHBondContact O-N 3.23Å; K119-H123 PolarHBondContact O-N 2.84Å; K119-H123 PolarHBondContact O-ND1 3.33Å
120	W	87.5	Confident	86	Confident	176 Å²	176	81.2 Å²	81.2	67%	0.667	42%	0.42	S	S	*	.	H	α-helix	trans	-69.7	-41	176.3	-178.6	84.7	0	0	0	112	Q116 V117 L118 H123 S124	Q116-W120 PolarHBondContact O-N 3.01Å; Q116-W120 VanDerWaalsContact O-N 3.12Å; V117-W120 WeakPolarHBondContact O-CB 3.39Å; V117-W120 PolarHBondContact O-N 2.81Å; L118-W120 VanDerWaalsContact C-N 3.33Å; L118-W120 PolarHBondContact O-N 3.04Å; W120-H123 PolarHBondContact O-N 3.37Å; W120-S124 PolarHBondContact O-N 2.86Å; W120-S124 VanDerWaalsContact O-N 3.17Å; W120-S124 PolarHBondContact O-OG 3.34Å
121	V	86.8	Confident	86.4	Confident	47 Å²	47	80.5 Å²	80.5	29%	0.285	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-44.6	175.5	171.5	0	0	0	0	110.5	V117 L118 H123 S124 L125 V134	V117-V121 HydrophobicContact CG1-CG2 4.29Å; V117-V121 WeakPolarHBondContact O-CG2 3.29Å; V117-V121 PolarHBondContact O-N 3.39Å; L118-V121 PolarHBondContact O-N 2.8Å; V121-H123 VanDerWaalsContact C-N 3.3Å; V121-H123 PolarHBondContact O-N 2.94Å; V121-S124 WeakPolarHBondContact O-CA 3.41Å; V121-S124 WeakPolarHBondContact O-CB 3.45Å; V121-S124 PolarHBondContact O-N 3.36Å; V121-L125 HydrophobicContact CG1-CD1 3.97Å; V121-L125 HydrophobicContact CG1-CG 4.27Å; V121-L125 WeakPolarHBondContact O-CG 3.34Å; V121-L125 PolarHBondContact O-N 3.09Å; V121-L125 VanDerWaalsContact O-N 3.1Å; V121-V134 HydrophobicContact CG1-CG2 4.47Å
122	Q	87.1	Confident	86.6	Confident	40 Å²	40	85.5 Å²	85.5	19%	0.187	44%	0.439	C	S	.	.	H	α-helix	trans	-54.9	-43.5	177	-167.9	-177.5	16.7	0	0	112.6	L118 S124 V134 E135	L118-Q122 WeakPolarHBondContact O-CB 3.44Å; L118-Q122 PolarHBondContact O-N 2.94Å; Q122-S124 VanDerWaalsContact C-N 3.28Å; Q122-S124 PolarHBondContact O-N 3.3Å; Q122-V134 HydrophobicContact CB-CG1 3.85Å; Q122-V134 HydrophobicContact CG-CG1 4.33Å; Q122-E135 PolarHBondContact NE2-OE2 3.45Å
123	H	84.4	Confident	86.9	Confident	162 Å²	162	84.5 Å²	84.5	75%	0.75	44%	0.437	S	S	*	.	H	α-helix	trans	-72.3	-19.8	176.9	-71.3	108.6	0	0	0	114	K119 W120 V121	K119-H123 PolarHBondContact O-N 2.84Å; K119-H123 PolarHBondContact O-ND1 3.33Å; W120-H123 PolarHBondContact O-N 3.37Å; V121-H123 VanDerWaalsContact C-N 3.3Å; V121-H123 PolarHBondContact O-N 2.94Å
124	S	85.8	Confident	87.1	Confident	70 Å²	70	80 Å²	80	49%	0.49	42%	0.418	S	S	.	.	H	α-helix	trans	-90.6	-15.3	-179	-59	0	0	0	0	112.8	W120 V121 Q122	W120-S124 PolarHBondContact O-N 2.86Å; W120-S124 VanDerWaalsContact O-N 3.17Å; W120-S124 PolarHBondContact O-OG 3.34Å; V121-S124 WeakPolarHBondContact O-CA 3.41Å; V121-S124 WeakPolarHBondContact O-CB 3.45Å; V121-S124 PolarHBondContact O-N 3.36Å; Q122-S124 VanDerWaalsContact C-N 3.28Å; Q122-S124 PolarHBondContact O-N 3.3Å
125	L	87.4	Confident	87.2	Confident	49 Å²	49	79.5 Å²	79.5	26%	0.257	41%	0.413	S	S	.	.			trans	-81.5	138.3	177.4	-68.5	168	0	0	0	110.6	V121 Q131 V134	V121-L125 HydrophobicContact CG1-CD1 3.97Å; V121-L125 HydrophobicContact CG1-CG 4.27Å; V121-L125 WeakPolarHBondContact O-CG 3.34Å; V121-L125 PolarHBondContact O-N 3.09Å; V121-L125 VanDerWaalsContact O-N 3.1Å; L125-Q131 HydrophobicContact CB-CG 4.01Å; L125-Q131 PolarHBondContact O-NE2 3.45Å; L125-V134 HydrophobicContact CD1-CG2 3.75Å
126	S	83.4	Confident	87.3	Confident	116 Å²	116	81.2 Å²	81.2	81%	0.811	43%	0.431	S	S	*	.			trans	-101.6	-11.7	-179.4	53.2	0	0	0	0	114
127	D	90.2	Very high	87.5	Confident	62 Å²	62	78.5 Å²	78.5	33%	0.332	42%	0.422	S	S	.	.	S	Bend	trans	-100.7	136.6	-177.5	72.5	-81.6	0	0	0	111.4	Q129 S130 Q131	D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.95Å; D127-S130 WeakPolarHBondContact OD1-CB 3.3Å; D127-S130 PolarHBondContact OD1-OG 3.43Å; D127-S130 WeakPolarHBondContact OD2-CA 3.41Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-N 3.5Å; D127-S130 PolarHBondContact OD2-OG 3.31Å; D127-Q131 WeakPolarHBondContact O-CG 3.34Å; D127-Q131 PolarHBondContact O-N 2.94Å
128	S	86.8	Confident	87.6	Confident	77 Å²	77	75.2 Å²	75.2	54%	0.538	40%	0.402	S	S	.	.	H	α-helix	trans	-69	-24.7	-174	-175.8	0	0	0	0	113.3	Q132	S128-Q132 VanDerWaalsContact O-CG 3.29Å; S128-Q132 WeakPolarHBondContact O-CG 3.38Å; S128-Q132 PolarHBondContact O-N 2.94Å
129	Q	88.3	Confident	87.7	Confident	113 Å²	113	79.2 Å²	79.2	53%	0.528	42%	0.42	S	S	.	.	H	α-helix	trans	-75.2	-50	-178.3	-173.9	60.3	48.4	0	0	110.6	D127 Q131 Q132 D133	D127-Q129 VanDerWaalsContact C-N 3.27Å; D127-Q129 PolarHBondContact O-N 2.95Å; Q129-Q131 VanDerWaalsContact C-N 3.26Å; Q129-Q131 PolarHBondContact O-N 3.05Å; Q129-Q132 WeakPolarHBondContact O-CA 3.35Å; Q129-Q132 WeakPolarHBondContact O-CB 3.39Å; Q129-Q132 PolarHBondContact O-N 3.09Å; Q129-D133 PolarHBondContact NE2-OD1 3.41Å; Q129-D133 VanDerWaalsContact NE2-OD1 3.1Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 2.83Å
130	S	86.3	Confident	87.9	Confident	42 Å²	42	78.7 Å²	78.7	29%	0.294	42%	0.422	S	S	.	.	H	α-helix	trans	-66.7	-30.8	178.4	-51.4	0	0	0	0	111.6	D127 Q132 D133 V134	D127-S130 WeakPolarHBondContact OD1-CB 3.3Å; D127-S130 PolarHBondContact OD1-OG 3.43Å; D127-S130 WeakPolarHBondContact OD2-CA 3.41Å; D127-S130 WeakPolarHBondContact OD2-CB 3.45Å; D127-S130 PolarHBondContact OD2-N 3.5Å; D127-S130 PolarHBondContact OD2-OG 3.31Å; S130-Q132 VanDerWaalsContact C-N 3.33Å; S130-D133 PolarHBondContact O-N 3.24Å; S130-V134 WeakPolarHBondContact O-CB 3.26Å; S130-V134 VanDerWaalsContact O-CG2 3.26Å; S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 2.77Å
131	Q	87.8	Confident	87.8	Confident	73 Å²	73	71.2 Å²	71.2	34%	0.341	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-39.4	170.5	-75.6	-179.9	-2	0	0	112.3	L125 D127 Q129 E135	L125-Q131 HydrophobicContact CB-CG 4.01Å; L125-Q131 PolarHBondContact O-NE2 3.45Å; D127-Q131 WeakPolarHBondContact O-CG 3.34Å; D127-Q131 PolarHBondContact O-N 2.94Å; Q129-Q131 VanDerWaalsContact C-N 3.26Å; Q129-Q131 PolarHBondContact O-N 3.05Å; Q131-E135 WeakPolarHBondContact O-CB 3.22Å; Q131-E135 PolarHBondContact O-N 3.14Å
132	Q	88.3	Confident	87.8	Confident	111 Å²	111	71.7 Å²	71.7	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-71	-37.7	175.8	-73.7	174.5	10.4	0	0	111.9	S128 Q129 S130 E135 A136	S128-Q132 VanDerWaalsContact O-CG 3.29Å; S128-Q132 WeakPolarHBondContact O-CG 3.38Å; S128-Q132 PolarHBondContact O-N 2.94Å; Q129-Q132 WeakPolarHBondContact O-CA 3.35Å; Q129-Q132 WeakPolarHBondContact O-CB 3.39Å; Q129-Q132 PolarHBondContact O-N 3.09Å; S130-Q132 VanDerWaalsContact C-N 3.33Å; Q132-E135 WeakPolarHBondContact O-CB 3.3Å; Q132-E135 PolarHBondContact O-N 3.16Å; Q132-A136 PolarHBondContact O-N 3.44Å
133	D	88.1	Confident	88	Confident	83 Å²	83	75.2 Å²	75.2	44%	0.444	42%	0.418	S	S	.	.	H	α-helix	trans	-66.9	-43.2	177.9	-61.8	-21.2	0	0	0	111.1	Q129 S130 E135 A136 V137	Q129-D133 PolarHBondContact NE2-OD1 3.41Å; Q129-D133 VanDerWaalsContact NE2-OD1 3.1Å; Q129-D133 VanDerWaalsContact O-CG 3.27Å; Q129-D133 PolarHBondContact O-N 2.83Å; S130-D133 PolarHBondContact O-N 3.24Å; D133-E135 VanDerWaalsContact C-N 3.34Å; D133-A136 PolarHBondContact O-N 2.85Å; D133-V137 WeakPolarHBondContact O-CG2 3.24Å; D133-V137 PolarHBondContact O-N 3.37Å
134	V	89.4	Confident	88.1	Confident	22 Å²	22	74.7 Å²	74.7	13%	0.133	42%	0.416	C	S	.	.	H	α-helix	trans	-65.6	-37.6	174.7	173.9	0	0	0	0	111.5	L118 V121 Q122 L125 S130 V137 T138	L118-V134 HydrophobicContact CB-CG1 4.42Å; L118-V134 HydrophobicContact CD2-CG1 4.42Å; L118-V134 WeakPolarHBondContact O-CG1 3.42Å; V121-V134 HydrophobicContact CG1-CG2 4.47Å; Q122-V134 HydrophobicContact CB-CG1 3.85Å; Q122-V134 HydrophobicContact CG-CG1 4.33Å; L125-V134 HydrophobicContact CD1-CG2 3.75Å; S130-V134 WeakPolarHBondContact O-CB 3.26Å; S130-V134 VanDerWaalsContact O-CG2 3.26Å; S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 2.77Å; V134-V137 PolarHBondContact O-N 3.4Å; V134-T138 WeakPolarHBondContact O-CB 3.44Å; V134-T138 PolarHBondContact O-N 3.38Å; V134-T138 PolarHBondContact O-OG1 3.46Å
135	E	88.9	Confident	88.2	Confident	69 Å²	69	79 Å²	79	32%	0.322	43%	0.428	S	S	.	.	H	α-helix	trans	-61.5	-44.3	173	-178.2	62.2	-146.9	0	0	111.2	Q122 Q131 Q132 D133 V137 T138 Q139	Q122-E135 PolarHBondContact NE2-OE2 3.45Å; Q131-E135 WeakPolarHBondContact O-CB 3.22Å; Q131-E135 PolarHBondContact O-N 3.14Å; Q132-E135 WeakPolarHBondContact O-CB 3.3Å; Q132-E135 PolarHBondContact O-N 3.16Å; D133-E135 VanDerWaalsContact C-N 3.34Å; E135-V137 PolarHBondContact O-N 3.07Å; E135-T138 PolarHBondContact O-N 3.31Å; E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 VanDerWaalsContact O-CG 3.31Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 2.85Å; E135-Q139 PolarHBondContact OE1-NE2 2.89Å
136	A	90.3	Very high	88.3	Confident	57 Å²	57	80.1 Å²	80.1	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-62.1	-42.5	178.3	0	0	0	0	0	112.4	Q132 D133 Q139 L140	Q132-A136 PolarHBondContact O-N 3.44Å; D133-A136 PolarHBondContact O-N 2.85Å; A136-Q139 PolarHBondContact O-N 3.43Å; A136-L140 PolarHBondContact O-N 3.28Å
137	V	89.1	Confident	88.3	Confident	68 Å²	68	77.7 Å²	77.7	41%	0.412	40%	0.404	S	S	.	.	H	α-helix	trans	-65.8	-42.7	175.2	175.1	0	0	0	0	110.9	L118 D133 V134 E135 Q139 L140 L141	L118-V137 HydrophobicContact CD1-CG1 4.21Å; D133-V137 WeakPolarHBondContact O-CG2 3.24Å; D133-V137 PolarHBondContact O-N 3.37Å; V134-V137 PolarHBondContact O-N 3.4Å; E135-V137 PolarHBondContact O-N 3.07Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 3.48Å; V137-L140 PolarHBondContact O-N 3.01Å; V137-L141 HydrophobicContact CG1-CD1 3.92Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.45Å
138	T	89.9	Confident	88	Confident	13 Å²	13	79 Å²	79	8%	0.08	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-42.3	177.8	-56.9	0	0	0	0	111.1	L115 V134 E135 L141 A142	L115-T138 HydrophobicContact CD2-CG2 4Å; V134-T138 WeakPolarHBondContact O-CB 3.44Å; V134-T138 PolarHBondContact O-N 3.38Å; V134-T138 PolarHBondContact O-OG1 3.46Å; E135-T138 PolarHBondContact O-N 3.31Å; T138-L141 PolarHBondContact O-N 2.74Å; T138-A142 VanDerWaalsContact O-CB 3.26Å; T138-A142 WeakPolarHBondContact O-CB 3.39Å; T138-A142 PolarHBondContact O-N 2.84Å
139	Q	89.6	Confident	87.8	Confident	114 Å²	114	78 Å²	78	53%	0.533	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-39.7	175.6	-73.5	178.8	14.6	0	0	112.3	E135 A136 V137 A142 K143	E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 VanDerWaalsContact O-CG 3.31Å; E135-Q139 WeakPolarHBondContact O-CG 3.37Å; E135-Q139 PolarHBondContact O-N 2.85Å; E135-Q139 PolarHBondContact OE1-NE2 2.89Å; A136-Q139 PolarHBondContact O-N 3.43Å; V137-Q139 VanDerWaalsContact C-N 3.33Å; V137-Q139 PolarHBondContact O-N 3.48Å; Q139-A142 PolarHBondContact O-N 3Å; Q139-K143 WeakPolarHBondContact O-CG 3.42Å; Q139-K143 PolarHBondContact O-N 3.24Å
140	L	89.6	Confident	87.6	Confident	89 Å²	89	75.7 Å²	75.7	47%	0.466	40%	0.395	S	S	.	.	H	α-helix	trans	-63.4	-47.4	176.9	-177.4	67.4	0	0	0	111.7	A136 V137 A142 K143	A136-L140 PolarHBondContact O-N 3.28Å; V137-L140 PolarHBondContact O-N 3.01Å; L140-A142 VanDerWaalsContact C-N 3.26Å; L140-A142 PolarHBondContact O-N 3.14Å; L140-K143 HydrophobicContact CD1-CD 4.35Å; L140-K143 WeakPolarHBondContact O-CB 3.45Å; L140-K143 PolarHBondContact O-N 2.99Å
141	L	87.1	Confident	87.4	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-69	-24.6	179.8	-65.2	176	0	0	0	112.7	L111 L114 L115 L118 V137 T138 F146	L111-L141 HydrophobicContact CD1-CD2 4.46Å; L114-L141 HydrophobicContact CD2-CD1 4.04Å; L114-L141 HydrophobicContact CG-CD1 4.45Å; L115-L141 HydrophobicContact CD2-CB 3.79Å; L118-L141 HydrophobicContact CD1-CD1 3.45Å; L118-L141 VanDerWaalsContact CD1-CD1 3.45Å; V137-L141 HydrophobicContact CG1-CD1 3.92Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CG 3.4Å; V137-L141 PolarHBondContact O-N 3.45Å; T138-L141 PolarHBondContact O-N 2.74Å; L141-F146 HydrophobicContact CD2-CD1 3.9Å; L141-F146 HydrophobicContact CD2-CE1 3.24Å; L141-F146 HydrophobicContact CD2-CE2 4.22Å; L141-F146 HydrophobicContact CD2-CZ 3.43Å; L141-F146 VanDerWaalsContact CD2-CZ 3.43Å
142	A	85.3	Confident	87.1	Confident	56 Å²	56	77.8 Å²	77.8	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-80.1	-14.1	174.7	0	0	0	0	0	113.7	T138 Q139 L140 E144	T138-A142 VanDerWaalsContact O-CB 3.26Å; T138-A142 WeakPolarHBondContact O-CB 3.39Å; T138-A142 PolarHBondContact O-N 2.84Å; Q139-A142 PolarHBondContact O-N 3Å; L140-A142 VanDerWaalsContact C-N 3.26Å; L140-A142 PolarHBondContact O-N 3.14Å; A142-E144 PolarHBondContact O-N 3.04Å
143	K	91.3	Very high	86.7	Confident	115 Å²	115	79.7 Å²	79.7	50%	0.5	41%	0.41	S	S	.	.	S	Bend	trans	-62.9	134.6	177.6	-70.3	-174.4	-178.1	179.7	0	110.9	Q139 L140 E145 F146 R147	Q139-K143 WeakPolarHBondContact O-CG 3.42Å; Q139-K143 PolarHBondContact O-N 3.24Å; L140-K143 HydrophobicContact CD1-CD 4.35Å; L140-K143 WeakPolarHBondContact O-CB 3.45Å; L140-K143 PolarHBondContact O-N 2.99Å; K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.39Å; K143-F146 HydrophobicContact CB-CB 4.4Å; K143-F146 PolarHBondContact O-N 3.46Å; K143-F146 VanDerWaalsContact O-N 3.11Å; K143-R147 WeakPolarHBondContact O-CG 3.23Å; K143-R147 PolarHBondContact O-N 3.39Å
144	E	88.1	Confident	86.1	Confident	150 Å²	150	76.2 Å²	76.2	70%	0.701	39%	0.392	S	S	*	.	H	α-helix	trans	-58.1	-39.8	179.8	-168.1	176.6	175.7	0	0	112.4	A142 F146 R147 N148	A142-E144 PolarHBondContact O-N 3.04Å; E144-F146 VanDerWaalsContact C-N 3.34Å; E144-F146 PolarHBondContact O-N 2.92Å; E144-R147 PolarHBondContact O-N 2.98Å; E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 3.37Å; E144-N148 PolarHBondContact O-ND2 2.92Å
145	E	87.1	Confident	85.5	Confident	160 Å²	160	78.4 Å²	78.4	75%	0.748	41%	0.405	S	S	*	.	H	α-helix	trans	-59.7	-42.2	176.2	-64	175.9	172.8	0	0	112.6	K143 A149	K143-E145 VanDerWaalsContact C-N 3.28Å; K143-E145 PolarHBondContact O-N 3.39Å; E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 3.21Å
146	F	88.8	Confident	84.7	Confident	73 Å²	73	79.6 Å²	79.6	32%	0.32	41%	0.413	S	S	.	.	H	α-helix	trans	-69.6	-43.8	178.3	-177	-86.1	0	0	0	111	L111 L141 K143 E144 N148 A149 Y150	L111-F146 HydrophobicContact CD1-CE1 4.35Å; L141-F146 HydrophobicContact CD2-CD1 3.9Å; L141-F146 HydrophobicContact CD2-CE1 3.24Å; L141-F146 HydrophobicContact CD2-CE2 4.22Å; L141-F146 HydrophobicContact CD2-CZ 3.43Å; L141-F146 VanDerWaalsContact CD2-CZ 3.43Å; K143-F146 HydrophobicContact CB-CB 4.4Å; K143-F146 PolarHBondContact O-N 3.46Å; K143-F146 VanDerWaalsContact O-N 3.11Å; E144-F146 VanDerWaalsContact C-N 3.34Å; E144-F146 PolarHBondContact O-N 2.92Å; F146-N148 VanDerWaalsContact C-N 3.31Å; F146-N148 PolarHBondContact O-N 3.11Å; F146-A149 PolarHBondContact O-N 2.99Å; F146-Y150 WeakPolarHBondContact O-CB 3.31Å; F146-Y150 PolarHBondContact O-N 3.43Å
147	R	83.9	Confident	83.6	Confident	66 Å²	66	78.8 Å²	78.8	25%	0.249	40%	0.404	C	S	.	.	H	α-helix	trans	-57.6	-46	176.8	-66.8	-179.8	72.5	97.9	-6.7	110.7	L111 E112 K143 E144 Y150 T151	L111-R147 HydrophobicContact CD2-CB 4.41Å; L111-R147 HydrophobicContact CD2-CG 3.83Å; E112-R147 IonicContact OE1-NH2 3.96Å; E112-R147 PolarHBondContact OE1-NH2 3.41Å; K143-R147 WeakPolarHBondContact O-CG 3.23Å; K143-R147 PolarHBondContact O-N 3.39Å; E144-R147 PolarHBondContact O-N 2.98Å; R147-Y150 PolarHBondContact O-N 3.25Å; R147-T151 PolarHBondContact O-N 2.78Å; R147-T151 PolarHBondContact O-OG1 2.81Å
148	N	83.9	Confident	82.3	Confident	88 Å²	88	79.9 Å²	79.9	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-44.8	177.2	-69.4	-20.9	0	0	0	112.1	E144 F146 Y150 T151 I152	E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 3.37Å; E144-N148 PolarHBondContact O-ND2 2.92Å; F146-N148 VanDerWaalsContact C-N 3.31Å; F146-N148 PolarHBondContact O-N 3.11Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; N148-Y150 PolarHBondContact O-N 3.19Å; N148-T151 PolarHBondContact O-N 3.43Å; N148-I152 WeakPolarHBondContact O-CG1 3.46Å; N148-I152 PolarHBondContact O-N 2.94Å
149	A	83.8	Confident	80.8	Confident	57 Å²	57	85.3 Å²	85.3	47%	0.471	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-39.5	176.8	0	0	0	0	0	112.4	E145 F146 I152 Y153	E145-A149 WeakPolarHBondContact O-CB 3.33Å; E145-A149 PolarHBondContact O-N 3.21Å; F146-A149 PolarHBondContact O-N 2.99Å; A149-I152 PolarHBondContact O-N 2.85Å; A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 2.72Å
150	Y	83.5	Confident	79.1	Confident	64 Å²	64	85 Å²	85	25%	0.251	44%	0.435	S	S	.	.	H	α-helix	trans	-67.6	-39.7	177	-178.2	-100.7	0	0	0	112.2	P107 L111 F146 R147 N148 Y153 S154	P107-Y150 HydrophobicContact CB-CE1 4.18Å; P107-Y150 WeakPolarHBondContact O-CE1 3.44Å; L111-Y150 HydrophobicContact CB-CD1 4.27Å; L111-Y150 HydrophobicContact CB-CE1 4.04Å; L111-Y150 HydrophobicContact CD2-CD1 4.04Å; F146-Y150 WeakPolarHBondContact O-CB 3.31Å; F146-Y150 PolarHBondContact O-N 3.43Å; R147-Y150 PolarHBondContact O-N 3.25Å; N148-Y150 VanDerWaalsContact C-N 3.34Å; N148-Y150 PolarHBondContact O-N 3.19Å; Y150-Y153 PolarHBondContact O-N 3.43Å; Y150-S154 WeakPolarHBondContact O-CB 3.45Å; Y150-S154 PolarHBondContact O-N 2.7Å; Y150-S154 PolarHBondContact O-OG 3.04Å
151	T	82.4	Confident	77.3	Confident	53 Å²	53	87.2 Å²	87.2	33%	0.325	45%	0.447	S	S	.	.	H	α-helix	trans	-61.8	-43.2	172.3	-57.1	0	0	0	0	111.3	R147 N148 S154 V155	R147-T151 PolarHBondContact O-N 2.78Å; R147-T151 PolarHBondContact O-OG1 2.81Å; N148-T151 PolarHBondContact O-N 3.43Å; T151-S154 WeakPolarHBondContact CA-OG 3.47Å; T151-S154 PolarHBondContact O-OG 3.05Å; T151-V155 WeakPolarHBondContact O-CB 3.49Å; T151-V155 VanDerWaalsContact O-CG2 3.23Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å; T151-V155 PolarHBondContact O-N 3.31Å; T151-V155 VanDerWaalsContact O-N 3.09Å
152	I	81.1	Confident	75.4	Confident	107 Å²	107	95.6 Å²	95.6	55%	0.549	48%	0.477	S	S	.	.	H	α-helix	trans	-63.6	-47.2	175.9	-66.7	164.3	0	0	0	110.6	N148 A149 S154 V155 L156	N148-I152 WeakPolarHBondContact O-CG1 3.46Å; N148-I152 PolarHBondContact O-N 2.94Å; A149-I152 PolarHBondContact O-N 2.85Å; I152-S154 PolarHBondContact O-N 3.36Å; I152-V155 PolarHBondContact O-N 2.86Å; I152-L156 HydrophobicContact CG2-CD1 3.84Å; I152-L156 HydrophobicContact CG2-CG 4.41Å; I152-L156 WeakPolarHBondContact O-CB 3.37Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.31Å; I152-L156 PolarHBondContact O-N 2.8Å
153	Y	79.8	Confident	73.6	Confident	151 Å²	151	101.3 Å²	101.3	59%	0.592	50%	0.499	S	S	*	.	H	α-helix	trans	-61.1	-45	179.3	173.3	-96.4	0	0	0	112.6	A149 Y150 L156 S157	A149-Y153 WeakPolarHBondContact O-CB 3.26Å; A149-Y153 PolarHBondContact O-N 2.72Å; Y150-Y153 PolarHBondContact O-N 3.43Å; Y153-L156 PolarHBondContact O-N 3.3Å; Y153-S157 VanDerWaalsContact O-CB 3.22Å; Y153-S157 WeakPolarHBondContact O-CB 3.32Å; Y153-S157 PolarHBondContact O-N 3.33Å
154	S	76.2	Confident	71.5	Confident	10 Å²	10	99.8 Å²	99.8	7%	0.07	50%	0.502	C	S	.	.	H	α-helix	trans	-65.2	-41.6	179.9	51.5	0	0	0	0	111.8	P107 Y150 T151 I152 S157 Q158	P107-S154 VanDerWaalsContact CB-OG 3.26Å; P107-S154 WeakPolarHBondContact CB-OG 3.3Å; P107-S154 WeakPolarHBondContact CG-OG 3.32Å; Y150-S154 WeakPolarHBondContact O-CB 3.45Å; Y150-S154 PolarHBondContact O-N 2.7Å; Y150-S154 PolarHBondContact O-OG 3.04Å; T151-S154 WeakPolarHBondContact CA-OG 3.47Å; T151-S154 PolarHBondContact O-OG 3.05Å; I152-S154 PolarHBondContact O-N 3.36Å; S154-S157 PolarHBondContact O-N 2.92Å; S154-Q158 WeakPolarHBondContact O-CB 3.29Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.22Å; S154-Q158 PolarHBondContact O-N 3.36Å
155	V	76.6	Confident	69.7	Low	67 Å²	67	96.4 Å²	96.4	41%	0.406	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-44.8	173.5	172.4	0	0	0	0	111.1	T151 I152 Q159	T151-V155 WeakPolarHBondContact O-CB 3.49Å; T151-V155 VanDerWaalsContact O-CG2 3.23Å; T151-V155 WeakPolarHBondContact O-CG2 3.43Å; T151-V155 PolarHBondContact O-N 3.31Å; T151-V155 VanDerWaalsContact O-N 3.09Å; I152-V155 PolarHBondContact O-N 2.86Å; V155-Q159 WeakPolarHBondContact O-CG 3.29Å; V155-Q159 PolarHBondContact O-N 2.71Å; V155-Q159 VanDerWaalsContact O-N 3.14Å
156	L	70.8	Confident	68.2	Low	95 Å²	95	96 Å²	96	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-63.4	-46	176.2	-73.1	172.2	0	0	0	111.7	I152 Y153 Q158 Q159 T160	I152-L156 HydrophobicContact CG2-CD1 3.84Å; I152-L156 HydrophobicContact CG2-CG 4.41Å; I152-L156 WeakPolarHBondContact O-CB 3.37Å; I152-L156 VanDerWaalsContact O-CG 3.3Å; I152-L156 WeakPolarHBondContact O-CG 3.31Å; I152-L156 PolarHBondContact O-N 2.8Å; Y153-L156 PolarHBondContact O-N 3.3Å; L156-Q158 PolarHBondContact O-N 3.45Å; L156-Q159 CarbonylContact O-C 3.58Å; L156-Q159 PolarHBondContact O-N 3.44Å; L156-Q159 VanDerWaalsContact O-N 3.09Å; L156-T160 WeakPolarHBondContact O-CG2 3.48Å; L156-T160 PolarHBondContact O-N 3.06Å; L156-T160 PolarHBondContact O-OG1 3.12Å
157	S	66.9	Low	66.6	Low	40 Å²	40	94.7 Å²	94.7	28%	0.28	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-41.2	-179.4	-173.3	0	0	0	0	112.2	Y153 S154 Q159 T160 N161	Y153-S157 VanDerWaalsContact O-CB 3.22Å; Y153-S157 WeakPolarHBondContact O-CB 3.32Å; Y153-S157 PolarHBondContact O-N 3.33Å; S154-S157 PolarHBondContact O-N 2.92Å; S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.06Å; S157-T160 VanDerWaalsContact CA-OG1 3.29Å; S157-T160 WeakPolarHBondContact CA-OG1 3.34Å; S157-T160 PolarHBondContact O-N 3.4Å; S157-T160 PolarHBondContact O-OG1 3.49Å; S157-N161 PolarHBondContact O-N 3.11Å
158	Q	63.7	Low	65.9	Low	90 Å²	90	92.4 Å²	92.4	42%	0.421	50%	0.496	S	S	.	.	H	α-helix	trans	-65.6	-33	174.3	-73.4	179	14.4	0	0	112.4	C104 S154 L156	C104-Q158 PolarHBondContact SG-NE2 2.89Å; S154-Q158 WeakPolarHBondContact O-CB 3.29Å; S154-Q158 VanDerWaalsContact O-CG 3.24Å; S154-Q158 WeakPolarHBondContact O-CG 3.22Å; S154-Q158 PolarHBondContact O-N 3.36Å; L156-Q158 PolarHBondContact O-N 3.45Å
159	Q	56.9	Low	65.3	Low	128 Å²	128	95.9 Å²	95.9	60%	0.598	51%	0.513	S	S	*	.	H	α-helix	trans	-78.6	-35.1	176	-71.4	-171.2	9.1	0	0	112.9	V155 L156 S157 N161 R162	V155-Q159 WeakPolarHBondContact O-CG 3.29Å; V155-Q159 PolarHBondContact O-N 2.71Å; V155-Q159 VanDerWaalsContact O-N 3.14Å; L156-Q159 CarbonylContact O-C 3.58Å; L156-Q159 PolarHBondContact O-N 3.44Å; L156-Q159 VanDerWaalsContact O-N 3.09Å; S157-Q159 VanDerWaalsContact C-N 3.31Å; S157-Q159 PolarHBondContact O-N 3.06Å; Q159-N161 VanDerWaalsContact C-N 3.28Å; Q159-N161 PolarHBondContact O-N 3.27Å; Q159-R162 PolarHBondContact O-N 2.91Å
160	T	55.2	Low	65	Low	106 Å²	106	95.3 Å²	95.3	65%	0.65	50%	0.504	S	S	*	.	H	α-helix	trans	-71.1	-20.7	176.8	52.2	0	0	0	0	113.7	L156 S157 R162	L156-T160 WeakPolarHBondContact O-CG2 3.48Å; L156-T160 PolarHBondContact O-N 3.06Å; L156-T160 PolarHBondContact O-OG1 3.12Å; S157-T160 VanDerWaalsContact CA-OG1 3.29Å; S157-T160 WeakPolarHBondContact CA-OG1 3.34Å; S157-T160 PolarHBondContact O-N 3.4Å; S157-T160 PolarHBondContact O-OG1 3.49Å; T160-R162 VanDerWaalsContact C-N 3.31Å
161	N	51.8	Low	65	Low	136 Å²	136	94.6 Å²	94.6	73%	0.727	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.3	173.8	-86.6	-18.9	0	0	0	113.9	S157 Q159	S157-N161 PolarHBondContact O-N 3.11Å; Q159-N161 VanDerWaalsContact C-N 3.28Å; Q159-N161 PolarHBondContact O-N 3.27Å
162	R	46.6	Very low	65.3	Low	195 Å²	195	97.1 Å²	97.1	74%	0.736	51%	0.514	S	S	*	.	S	Bend	trans	-81.1	128.4	163.7	-69	-167.2	175.5	-170.5	0.6	107.6	Q159 T160 S164	Q159-R162 PolarHBondContact O-N 2.91Å; T160-R162 VanDerWaalsContact C-N 3.31Å; R162-S164 PolarHBondContact O-N 3.27Å
163	I	47.8	Very low	65.7	Low	177 Å²	177	92.7 Å²	92.7	91%	0.908	49%	0.493	S	S	*	.			trans	-63.6	84.7	169.7	-55.1	167.3	0	0	0	106.6
164	S	47.5	Very low	66.1	Low	82 Å²	82	88.1 Å²	88.1	57%	0.573	48%	0.477	S	S	*	.			trans	-71.1	140.6	161.8	-61.3	0	0	0	0	106.5	R162 T166	R162-S164 PolarHBondContact O-N 3.27Å; S164-T166 PolarHBondContact O-N 2.81Å
165	P	49.5	Very low	66.6	Low	80 Å²	80	91.6 Å²	91.6	52%	0.519	50%	0.495	S	S	.	.			trans	-55.6	132.9	171.3	26.8	-33.1	0	0	0	107.9	S167 L169	P165-S167 WeakPolarHBondContact CB-O 3.49Å; P165-S167 PolarHBondContact O-N 3.22Å; P165-S167 VanDerWaalsContact O-N 3.07Å; P165-L169 HydrophobicContact CG-CD1 4.38Å; P165-L169 HydrophobicContact CG-CG 4.24Å
166	T	55.6	Low	67.2	Low	151 Å²	151	92.5 Å²	92.5	93%	0.926	50%	0.497	S	S	*	.	S	Bend	trans	-65	-8.5	-177.8	43.8	0	0	0	0	113.1	S164	S164-T166 PolarHBondContact O-N 2.81Å
167	S	55.8	Low	68.1	Low	45 Å²	45	89.3 Å²	89.3	32%	0.315	48%	0.483	S	S	.	.	S	Bend	trans	-140	151.5	174.4	54.3	0	0	0	0	110.2	P165	P165-S167 WeakPolarHBondContact CB-O 3.49Å; P165-S167 PolarHBondContact O-N 3.22Å; P165-S167 VanDerWaalsContact O-N 3.07Å
168	P	69.3	Low	69.1	Low	19 Å²	19	91.4 Å²	91.4	12%	0.123	49%	0.488	C	S	.	.			trans	-65.4	136.6	178.5	27.1	-35.2	0	0	0	110.4	T170 A215 E218 I219	P168-T170 VanDerWaalsContact C-N 3.28Å; P168-T170 PolarHBondContact O-N 3.07Å; P168-A215 HydrophobicContact CB-CB 3.5Å; P168-A215 HydrophobicContact CG-CB 3.59Å; P168-E218 WeakPolarHBondContact CD-OE2 3.18Å; P168-E218 HydrophobicContact CG-CB 4.29Å; P168-I219 HydrophobicContact CB-CD1 4.4Å; P168-I219 HydrophobicContact CG-CD1 3.63Å; P168-I219 HydrophobicContact CG-CG1 3.74Å
169	L	70.9	Confident	70.3	Confident	160 Å²	160	91.5 Å²	91.5	84%	0.838	49%	0.488	S	S	*	.	S	Bend	trans	-73.9	-19.7	-177.6	-69.8	167.1	0	0	0	113.3	P165	P165-L169 HydrophobicContact CG-CD1 4.38Å; P165-L169 HydrophobicContact CG-CG 4.24Å
170	T	77.3	Confident	71.8	Confident	45 Å²	45	88.2 Å²	88.2	28%	0.276	48%	0.477	S	S	.	.			trans	-154.9	151.1	-179.5	-178	0	0	0	0	110.1	P168 Q172 A173 L176 H211	P168-T170 VanDerWaalsContact C-N 3.28Å; P168-T170 PolarHBondContact O-N 3.07Å; T170-Q172 PolarHBondContact OG1-N 2.88Å; T170-Q172 VanDerWaalsContact OG1-N 3.12Å; T170-A173 HydrophobicContact CG2-CB 4.17Å; T170-L176 HydrophobicContact CG2-CD1 4.46Å; T170-H211 PolarHBondContact O-CE1 2.86Å
171	V	84.2	Confident	73.2	Confident	49 Å²	49	84.7 Å²	84.7	30%	0.297	45%	0.453	S	S	.	.	S	Bend	trans	-100.8	4.9	171.3	-60.4	0	0	0	0	112.6	D212 A215 V216 I219	V171-D212 VanDerWaalsContact O-CG 3.3Å; V171-A215 HydrophobicContact CG1-CB 4.36Å; V171-V216 HydrophobicContact CB-CG2 4Å; V171-V216 HydrophobicContact CG1-CG2 4.33Å; V171-I219 HydrophobicContact CG1-CB 3.94Å; V171-I219 HydrophobicContact CG1-CD1 3.32Å; V171-I219 HydrophobicContact CG1-CG1 4.13Å; V171-I219 HydrophobicContact CG1-CG2 4.19Å
172	Q	88.2	Confident	74.9	Confident	107 Å²	107	85.1 Å²	85.1	50%	0.5	45%	0.445	S	S	.	.			trans	-127.3	32.5	-169.8	-59.3	-174.3	-36.3	0	0	111.8	T170 Q174 D175 L176	T170-Q172 PolarHBondContact OG1-N 2.88Å; T170-Q172 VanDerWaalsContact OG1-N 3.12Å; Q172-Q174 PolarHBondContact O-N 2.74Å; Q172-D175 HydrophobicContact CB-CB 4.29Å; Q172-D175 PolarHBondContact O-N 2.99Å; Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 VanDerWaalsContact O-CG 3.3Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 3.31Å
173	A	88.3	Confident	76.8	Confident	13 Å²	13	81.1 Å²	81.1	11%	0.107	44%	0.437	C	S	.	.	H	α-helix	trans	-61.3	-34.7	-178.9	0	0	0	0	0	111.6	T170 C177 M208 D212	T170-A173 HydrophobicContact CG2-CB 4.17Å; A173-C177 WeakPolarHBondContact O-CB 3.34Å; A173-C177 PolarHBondContact O-N 3.07Å; A173-C177 PolarHBondContact O-SG 3.27Å; A173-M208 HydrophobicContact CB-SD 3.88Å; A173-D212 VanDerWaalsContact CB-OD1 3.24Å; A173-D212 WeakPolarHBondContact CB-OD1 3.46Å; A173-D212 PolarHBondContact N-OD1 2.78Å; A173-D212 PolarHBondContact N-OD2 2.85Å
174	Q	89	Confident	78.6	Confident	55 Å²	55	73.9 Å²	73.9	26%	0.257	40%	0.4	S	S	.	.	H	α-helix	trans	-66.8	-45.4	176.4	-173.6	174.6	12.2	0	0	112.1	Q172 L176 C177 Q178 M208 D212	Q172-Q174 PolarHBondContact O-N 2.74Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; Q174-C177 WeakPolarHBondContact O-CB 3.29Å; Q174-C177 PolarHBondContact O-N 3.01Å; Q174-Q178 WeakPolarHBondContact O-CG 3.31Å; Q174-Q178 PolarHBondContact O-N 2.9Å; Q174-M208 HydrophobicContact CB-CB 4.25Å; Q174-D212 WeakPolarHBondContact CB-OD2 3.48Å; Q174-D212 PolarHBondContact N-OD2 3.37Å
175	D	87.3	Confident	80.1	Confident	84 Å²	84	77.3 Å²	77.3	45%	0.449	41%	0.407	S	S	.	.	H	α-helix	trans	-65.3	-40.9	179.3	-69.4	-28.9	0	0	0	111.3	Q172 C177 Q178 E179	Q172-D175 HydrophobicContact CB-CB 4.29Å; Q172-D175 PolarHBondContact O-N 2.99Å; D175-C177 PolarHBondContact O-N 2.77Å; D175-Q178 PolarHBondContact O-N 3.1Å; D175-E179 PolarHBondContact O-N 2.95Å
176	L	89.3	Confident	81.5	Confident	85 Å²	85	79.6 Å²	79.6	45%	0.445	42%	0.419	S	S	.	.	H	α-helix	trans	-62	-42.4	174.2	-71.1	169.2	0	0	0	111.5	T170 Q172 Q174 Q178 E179 V180	T170-L176 HydrophobicContact CG2-CD1 4.46Å; Q172-L176 WeakPolarHBondContact O-CB 3.36Å; Q172-L176 VanDerWaalsContact O-CG 3.3Å; Q172-L176 WeakPolarHBondContact O-CG 3.42Å; Q172-L176 PolarHBondContact O-N 3.31Å; Q174-L176 VanDerWaalsContact C-N 3.35Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.43Å; L176-E179 PolarHBondContact O-N 3.17Å; L176-V180 WeakPolarHBondContact O-CG2 3.17Å; L176-V180 PolarHBondContact O-N 3.23Å
177	C	88.1	Confident	82.7	Confident	28 Å²	28	74 Å²	74	19%	0.189	39%	0.387	C	S	.	.	H	α-helix	trans	-60.3	-41.8	174.5	-74	0	0	0	0	111.8	A173 Q174 D175 E179 V180 Q181 L199	A173-C177 WeakPolarHBondContact O-CB 3.34Å; A173-C177 PolarHBondContact O-N 3.07Å; A173-C177 PolarHBondContact O-SG 3.27Å; Q174-C177 WeakPolarHBondContact O-CB 3.29Å; Q174-C177 PolarHBondContact O-N 3.01Å; D175-C177 PolarHBondContact O-N 2.77Å; C177-E179 VanDerWaalsContact C-N 3.34Å; C177-V180 PolarHBondContact O-N 3.34Å; C177-Q181 VanDerWaalsContact O-CG 3.26Å; C177-Q181 WeakPolarHBondContact O-CG 3.02Å; C177-Q181 PolarHBondContact O-N 3.34Å; C177-L199 HydrophobicContact CB-CD2 4.41Å
178	Q	87.8	Confident	84	Confident	84 Å²	84	80.4 Å²	80.4	39%	0.393	41%	0.412	S	S	.	.	H	α-helix	trans	-68	-33.7	176.9	-68.6	177.4	22.4	0	0	112.6	Q174 D175 L176 Q181 R182	Q174-Q178 WeakPolarHBondContact O-CG 3.31Å; Q174-Q178 PolarHBondContact O-N 2.9Å; D175-Q178 PolarHBondContact O-N 3.1Å; L176-Q178 VanDerWaalsContact C-N 3.32Å; L176-Q178 PolarHBondContact O-N 3.43Å; Q178-Q181 PolarHBondContact O-N 3.41Å; Q178-R182 WeakPolarHBondContact O-CG 3.5Å; Q178-R182 PolarHBondContact O-N 2.94Å
179	E	89.3	Confident	84.9	Confident	92 Å²	92	86 Å²	86	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-66.9	-46.5	174.6	-174.3	166	-157.2	0	0	111.9	D175 L176 C177 Q181 R182 I183	D175-E179 PolarHBondContact O-N 2.95Å; L176-E179 PolarHBondContact O-N 3.17Å; C177-E179 VanDerWaalsContact C-N 3.34Å; E179-Q181 VanDerWaalsContact C-N 3.29Å; E179-Q181 PolarHBondContact O-N 2.91Å; E179-R182 WeakPolarHBondContact O-CB 3.5Å; E179-R182 PolarHBondContact O-N 2.74Å; E179-R182 VanDerWaalsContact O-N 3.14Å; E179-I183 HydrophobicContact CG-CD1 4.23Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3.15Å
180	V	88.2	Confident	85.6	Confident	59 Å²	59	86 Å²	86	36%	0.358	43%	0.429	S	S	.	.	H	α-helix	trans	-60.9	-40.7	174.7	175.4	0	0	0	0	110.7	L176 C177 R182 I183 L184 L199	L176-V180 WeakPolarHBondContact O-CG2 3.17Å; L176-V180 PolarHBondContact O-N 3.23Å; C177-V180 PolarHBondContact O-N 3.34Å; V180-R182 PolarHBondContact O-N 3.1Å; V180-I183 PolarHBondContact O-N 3.22Å; V180-L184 HydrophobicContact CG1-CD1 3.72Å; V180-L184 HydrophobicContact CG1-CG 4.21Å; V180-L184 WeakPolarHBondContact O-CB 3.33Å; V180-L184 VanDerWaalsContact O-CG 3.24Å; V180-L184 WeakPolarHBondContact O-CG 3.32Å; V180-L184 PolarHBondContact O-N 2.82Å; V180-L199 HydrophobicContact CB-CD1 4.12Å; V180-L199 HydrophobicContact CG1-CD1 3.63Å
181	Q	85.6	Confident	86	Confident	32 Å²	32	89.8 Å²	89.8	15%	0.15	44%	0.444	C	S	.	.	H	α-helix	trans	-59	-45.9	173.2	-76.7	175	-1.9	0	0	112.5	C177 Q178 E179 I183 L184 Q185 L199	C177-Q181 VanDerWaalsContact O-CG 3.26Å; C177-Q181 WeakPolarHBondContact O-CG 3.02Å; C177-Q181 PolarHBondContact O-N 3.34Å; Q178-Q181 PolarHBondContact O-N 3.41Å; E179-Q181 VanDerWaalsContact C-N 3.29Å; E179-Q181 PolarHBondContact O-N 2.91Å; Q181-I183 VanDerWaalsContact C-N 3.27Å; Q181-I183 PolarHBondContact O-N 3.02Å; Q181-L184 PolarHBondContact O-N 3.38Å; Q181-Q185 WeakPolarHBondContact O-CG 3.42Å; Q181-Q185 PolarHBondContact O-N 2.78Å; Q181-Q185 VanDerWaalsContact O-N 3.11Å; Q181-L199 HydrophobicContact CG-CB 3.82Å; Q181-L199 HydrophobicContact CG-CD1 4.2Å; Q181-L199 PolarHBondContact NE2-O 2.9Å
182	R	86.8	Confident	86.1	Confident	145 Å²	145	87.8 Å²	87.8	55%	0.547	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-39	176.5	-80.6	-177.6	-78.5	120.9	-5.9	111.9	Q178 E179 V180	Q178-R182 WeakPolarHBondContact O-CG 3.5Å; Q178-R182 PolarHBondContact O-N 2.94Å; E179-R182 WeakPolarHBondContact O-CB 3.5Å; E179-R182 PolarHBondContact O-N 2.74Å; E179-R182 VanDerWaalsContact O-N 3.14Å; V180-R182 PolarHBondContact O-N 3.1Å
183	I	86.4	Confident	85.9	Confident	112 Å²	112	87.6 Å²	87.6	57%	0.574	44%	0.435	S	S	*	.	H	α-helix	trans	-67.3	-41.7	176.9	-65.4	165.6	0	0	0	110.6	E179 V180 Q181 Q185 T186	E179-I183 HydrophobicContact CG-CD1 4.23Å; E179-I183 WeakPolarHBondContact O-CG1 3.41Å; E179-I183 PolarHBondContact O-N 3.15Å; V180-I183 PolarHBondContact O-N 3.22Å; Q181-I183 VanDerWaalsContact C-N 3.27Å; Q181-I183 PolarHBondContact O-N 3.02Å; I183-Q185 VanDerWaalsContact C-N 3.31Å; I183-Q185 PolarHBondContact O-N 3.35Å; I183-T186 PolarHBondContact O-OG1 3.07Å
184	L	85.3	Confident	85.9	Confident	25 Å²	25	92.7 Å²	92.7	13%	0.131	46%	0.456	C	S	.	.	H	α-helix	trans	-73.6	-16.1	-177.2	-69.7	172.1	0	0	0	114.3	V180 Q181 T186 S187 L195 L199	V180-L184 HydrophobicContact CG1-CD1 3.72Å; V180-L184 HydrophobicContact CG1-CG 4.21Å; V180-L184 WeakPolarHBondContact O-CB 3.33Å; V180-L184 VanDerWaalsContact O-CG 3.24Å; V180-L184 WeakPolarHBondContact O-CG 3.32Å; V180-L184 PolarHBondContact O-N 2.82Å; Q181-L184 PolarHBondContact O-N 3.38Å; L184-T186 PolarHBondContact O-N 3.42Å; L184-T186 VanDerWaalsContact O-N 3.08Å; L184-S187 WeakPolarHBondContact O-CB 3.26Å; L184-S187 PolarHBondContact O-N 3.02Å; L184-L195 HydrophobicContact CD1-CB 4.09Å; L184-L195 HydrophobicContact CD1-CD2 3.76Å; L184-L195 HydrophobicContact CD1-CG 3.74Å; L184-L199 HydrophobicContact CD1-CD1 4.19Å
185	Q	79.8	Confident	85.9	Confident	153 Å²	153	93.7 Å²	93.7	72%	0.715	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-25.9	177.5	-78.8	176.1	6.4	0	0	113.9	Q181 I183	Q181-Q185 WeakPolarHBondContact O-CG 3.42Å; Q181-Q185 PolarHBondContact O-N 2.78Å; Q181-Q185 VanDerWaalsContact O-N 3.11Å; I183-Q185 VanDerWaalsContact C-N 3.31Å; I183-Q185 PolarHBondContact O-N 3.35Å
186	T	79.6	Confident	85.9	Confident	128 Å²	128	91.3 Å²	91.3	79%	0.785	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-3.2	178.8	57.3	0	0	0	0	113.2	I183 L184	I183-T186 PolarHBondContact O-OG1 3.07Å; L184-T186 PolarHBondContact O-N 3.42Å; L184-T186 VanDerWaalsContact O-N 3.08Å
187	S	80.1	Confident	85.9	Confident	34 Å²	34	90.4 Å²	90.4	24%	0.238	46%	0.458	C	S	.	.			trans	-82.2	127.2	-177	-170.4	0	0	0	0	111.9	L184 Q189	L184-S187 WeakPolarHBondContact O-CB 3.26Å; L184-S187 PolarHBondContact O-N 3.02Å; S187-Q189 PolarHBondContact OG-N 2.77Å
188	Q	82.4	Confident	86	Confident	180 Å²	180	93.5 Å²	93.5	84%	0.841	47%	0.472	S	S	*	.			trans	-99.1	0.8	174.3	-66.9	-87.3	-21.6	0	0	112
189	Q	88.1	Confident	86	Confident	136 Å²	136	90.5 Å²	90.5	64%	0.636	46%	0.459	S	S	*	.	S	Bend	trans	-79.3	142.3	-179.6	-65.8	-164.1	-20.6	0	0	110.8	S187 E191 G192 L193	S187-Q189 PolarHBondContact OG-N 2.77Å; Q189-E191 VanDerWaalsContact C-N 3.26Å; Q189-E191 PolarHBondContact O-N 3.22Å; Q189-G192 PolarHBondContact O-N 3.05Å; Q189-L193 PolarHBondContact O-N 2.73Å
190	K	86.1	Confident	86	Confident	159 Å²	159	89.7 Å²	89.7	69%	0.691	46%	0.46	S	S	*	.	H	α-helix	trans	-59	-40.4	-175.5	-174.1	-177.7	175.1	-171.5	0	111.6	G192 L193 E194	K190-G192 VanDerWaalsContact C-N 3.33Å; K190-L193 PolarHBondContact O-N 3.1Å; K190-E194 WeakPolarHBondContact O-CB 3.44Å; K190-E194 PolarHBondContact O-N 2.92Å
191	E	86.8	Confident	86.2	Confident	126 Å²	126	90 Å²	90	59%	0.589	46%	0.46	S	S	*	.	H	α-helix	trans	-66.8	-36.3	178.5	-60.1	71.3	-156.8	0	0	111.2	Q189 L195	Q189-E191 VanDerWaalsContact C-N 3.26Å; Q189-E191 PolarHBondContact O-N 3.22Å; E191-L195 WeakPolarHBondContact O-CB 3.42Å; E191-L195 PolarHBondContact O-N 2.81Å
192	G	85.1	Confident	86.4	Confident	7 Å²	7	92.9 Å²	92.9	7%	0.072	48%	0.481	C	S	.	.	H	α-helix	trans	-68.9	-38.1	175.8	0	0	0	0	0	112.8	Q189 K190 S196	Q189-G192 PolarHBondContact O-N 3.05Å; K190-G192 VanDerWaalsContact C-N 3.33Å; G192-S196 WeakPolarHBondContact O-CB 3.36Å; G192-S196 PolarHBondContact O-N 3.21Å
193	L	84.7	Confident	86.5	Confident	102 Å²	102	93.4 Å²	93.4	53%	0.534	49%	0.489	S	S	.	.	H	α-helix	trans	-69	-39.7	174.8	-67	172.1	0	0	0	111.8	Q189 K190 S196 A197	Q189-L193 PolarHBondContact O-N 2.73Å; K190-L193 PolarHBondContact O-N 3.1Å; L193-S196 PolarHBondContact O-N 2.78Å; L193-A197 WeakPolarHBondContact O-CB 3.38Å; L193-A197 PolarHBondContact O-N 2.85Å
194	E	89.3	Confident	86.6	Confident	120 Å²	120	90.6 Å²	90.6	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-64.8	-45.3	175.3	-174.5	173.8	-175.8	0	0	111.6	K190 S196 A197 L198	K190-E194 WeakPolarHBondContact O-CB 3.44Å; K190-E194 PolarHBondContact O-N 2.92Å; E194-S196 VanDerWaalsContact C-N 3.34Å; E194-S196 PolarHBondContact O-N 2.93Å; E194-A197 PolarHBondContact O-N 3.37Å; E194-L198 HydrophobicContact CG-CD1 4.49Å; E194-L198 PolarHBondContact O-N 2.97Å
195	L	89	Confident	86.8	Confident	77 Å²	77	93.1 Å²	93.1	40%	0.403	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-40.6	174.7	-177.7	58.3	0	0	0	111.7	L184 E191 A197 L198 L199	L184-L195 HydrophobicContact CD1-CB 4.09Å; L184-L195 HydrophobicContact CD1-CD2 3.76Å; L184-L195 HydrophobicContact CD1-CG 3.74Å; E191-L195 WeakPolarHBondContact O-CB 3.42Å; E191-L195 PolarHBondContact O-N 2.81Å; L195-A197 PolarHBondContact O-N 3.27Å; L195-L198 PolarHBondContact O-N 3.19Å; L195-L199 HydrophobicContact CD1-CD1 4.16Å; L195-L199 HydrophobicContact CD1-CG 4.13Å; L195-L199 HydrophobicContact CG-CD1 4.04Å; L195-L199 HydrophobicContact CG-CG 4.42Å; L195-L199 WeakPolarHBondContact O-CB 3.37Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 2.82Å
196	S	87.2	Confident	87.1	Confident	33 Å²	33	88.4 Å²	88.4	23%	0.231	47%	0.474	C	S	.	.	H	α-helix	trans	-60	-46	173.6	-172.5	0	0	0	0	111.2	G192 L193 E194 L198 L199 T200	G192-S196 WeakPolarHBondContact O-CB 3.36Å; G192-S196 PolarHBondContact O-N 3.21Å; L193-S196 PolarHBondContact O-N 2.78Å; E194-S196 VanDerWaalsContact C-N 3.34Å; E194-S196 PolarHBondContact O-N 2.93Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact O-N 2.98Å; S196-L199 PolarHBondContact O-N 3.4Å; S196-T200 WeakPolarHBondContact O-CB 3.22Å; S196-T200 PolarHBondContact O-N 2.92Å; S196-T200 PolarHBondContact O-OG1 3.36Å
197	A	87.7	Confident	87.6	Confident	66 Å²	66	87.1 Å²	87.1	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-62.8	-38	179.4	0	0	0	0	0	112.5	L193 E194 L195 N201	L193-A197 WeakPolarHBondContact O-CB 3.38Å; L193-A197 PolarHBondContact O-N 2.85Å; E194-A197 PolarHBondContact O-N 3.37Å; L195-A197 PolarHBondContact O-N 3.27Å; A197-N201 PolarHBondContact O-N 3.16Å
198	L	90.2	Very high	88.1	Confident	94 Å²	94	87.5 Å²	87.5	49%	0.492	46%	0.46	S	S	.	.	H	α-helix	trans	-65.2	-49.4	174.1	-77	165.9	0	0	0	111.7	E194 L195 S196 T200 N201 L204	E194-L198 HydrophobicContact CG-CD1 4.49Å; E194-L198 PolarHBondContact O-N 2.97Å; L195-L198 PolarHBondContact O-N 3.19Å; S196-L198 VanDerWaalsContact C-N 3.32Å; S196-L198 PolarHBondContact O-N 2.98Å; L198-T200 VanDerWaalsContact C-N 3.26Å; L198-T200 PolarHBondContact O-N 2.58Å; L198-N201 WeakPolarHBondContact O-CB 3.37Å; L198-N201 PolarHBondContact O-N 2.68Å; L198-L204 VanDerWaalsContact O-CD2 3.27Å; L198-L204 WeakPolarHBondContact O-CD2 3.45Å
199	L	89.3	Confident	88.4	Confident	21 Å²	21	84 Å²	84	11%	0.11	44%	0.443	C	S	.	.	H	α-helix	trans	-64.6	-30.5	-179.7	-66.8	175.2	0	0	0	112.4	C177 V180 Q181 L184 L195 S196 N201 L204 Q205	C177-L199 HydrophobicContact CB-CD2 4.41Å; V180-L199 HydrophobicContact CB-CD1 4.12Å; V180-L199 HydrophobicContact CG1-CD1 3.63Å; Q181-L199 HydrophobicContact CG-CB 3.82Å; Q181-L199 HydrophobicContact CG-CD1 4.2Å; Q181-L199 PolarHBondContact NE2-O 2.9Å; L184-L199 HydrophobicContact CD1-CD1 4.19Å; L195-L199 HydrophobicContact CD1-CD1 4.16Å; L195-L199 HydrophobicContact CD1-CG 4.13Å; L195-L199 HydrophobicContact CG-CD1 4.04Å; L195-L199 HydrophobicContact CG-CG 4.42Å; L195-L199 WeakPolarHBondContact O-CB 3.37Å; L195-L199 VanDerWaalsContact O-CG 3.28Å; L195-L199 WeakPolarHBondContact O-CG 3.49Å; L195-L199 PolarHBondContact O-N 2.82Å; S196-L199 PolarHBondContact O-N 3.4Å; L199-N201 VanDerWaalsContact C-N 3.29Å; L199-L204 HydrophobicContact CD2-CD2 4.23Å; L199-Q205 WeakPolarHBondContact O-CG 3.46Å
200	T	88.5	Confident	88.3	Confident	75 Å²	75	80 Å²	80	46%	0.46	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-0.9	176.8	-46.4	0	0	0	0	112.8	S196 L198	S196-T200 WeakPolarHBondContact O-CB 3.22Å; S196-T200 PolarHBondContact O-N 2.92Å; S196-T200 PolarHBondContact O-OG1 3.36Å; L198-T200 VanDerWaalsContact C-N 3.26Å; L198-T200 PolarHBondContact O-N 2.58Å
201	N	92.7	Very high	88.5	Confident	65 Å²	65	75.8 Å²	75.8	35%	0.348	42%	0.417	S	S	.	.			trans	-64.8	126.1	176.3	-171.8	-48.7	0	0	0	110.4	A197 L198 L199 H203 L204 Q205	A197-N201 PolarHBondContact O-N 3.16Å; L198-N201 WeakPolarHBondContact O-CB 3.37Å; L198-N201 PolarHBondContact O-N 2.68Å; L199-N201 VanDerWaalsContact C-N 3.29Å; N201-H203 PolarHBondContact O-N 3.4Å; N201-H203 VanDerWaalsContact O-N 3.16Å; N201-H203 WeakPolarHBondContact OD1-CB 3.32Å; N201-H203 PolarHBondContact OD1-CD2 2.65Å; N201-H203 PolarHBondContact OD1-N 3.47Å; N201-L204 HydrophobicContact CB-CB 4.24Å; N201-L204 PolarHBondContact O-N 3.06Å; N201-Q205 PolarHBondContact O-N 2.92Å
202	P	89.5	Confident	88.6	Confident	93 Å²	93	70.4 Å²	70.4	60%	0.604	39%	0.392	S	S	*	.	H	α-helix	trans	-55.6	-35.4	-178.5	-24.9	32.6	0	0	0	113.8	A206	P202-A206 WeakPolarHBondContact O-CB 3.37Å; P202-A206 PolarHBondContact O-N 2.92Å
203	H	89.6	Confident	88.5	Confident	155 Å²	155	73.1 Å²	73.1	72%	0.718	41%	0.41	S	S	*	.	H	α-helix	trans	-69.3	-37.5	179	-63.4	-65.6	0	0	0	112	N201 L207	N201-H203 PolarHBondContact O-N 3.4Å; N201-H203 VanDerWaalsContact O-N 3.16Å; N201-H203 WeakPolarHBondContact OD1-CB 3.32Å; N201-H203 PolarHBondContact OD1-CD2 2.65Å; N201-H203 PolarHBondContact OD1-N 3.47Å; H203-L207 WeakPolarHBondContact O-CB 3.16Å; H203-L207 PolarHBondContact O-N 3.15Å
204	L	88.3	Confident	88.2	Confident	53 Å²	53	71.9 Å²	71.9	28%	0.277	41%	0.406	S	S	.	.	H	α-helix	trans	-72	-39	177.6	-170.5	61.8	0	0	0	110.9	L198 L199 N201 L207 M208	L198-L204 VanDerWaalsContact O-CD2 3.27Å; L198-L204 WeakPolarHBondContact O-CD2 3.45Å; L199-L204 HydrophobicContact CD2-CD2 4.23Å; N201-L204 HydrophobicContact CB-CB 4.24Å; N201-L204 PolarHBondContact O-N 3.06Å; L204-L207 HydrophobicContact CD1-CD2 4.27Å; L204-L207 WeakPolarHBondContact O-CB 3.43Å; L204-L207 PolarHBondContact O-N 3.28Å; L204-M208 HydrophobicContact CD1-CE 3.98Å; L204-M208 WeakPolarHBondContact O-CG 3.48Å; L204-M208 PolarHBondContact O-N 3.41Å
205	Q	88.7	Confident	87.7	Confident	78 Å²	78	66.2 Å²	66.2	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-62.9	-45	174.4	-69.2	-176.5	-27.7	0	0	112.1	L199 N201 L207 M208 Q209	L199-Q205 WeakPolarHBondContact O-CG 3.46Å; N201-Q205 PolarHBondContact O-N 2.92Å; Q205-L207 VanDerWaalsContact C-N 3.3Å; Q205-L207 PolarHBondContact O-N 2.85Å; Q205-M208 PolarHBondContact O-N 3.42Å; Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 PolarHBondContact O-N 2.83Å
206	A	87.2	Confident	87.1	Confident	54 Å²	54	66.1 Å²	66.1	45%	0.446	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-37.8	175.2	0	0	0	0	0	111.9	P202 Q209 A210	P202-A206 WeakPolarHBondContact O-CB 3.37Å; P202-A206 PolarHBondContact O-N 2.92Å; A206-Q209 PolarHBondContact O-N 3.02Å; A206-A210 WeakPolarHBondContact O-CB 3.22Å; A206-A210 PolarHBondContact O-N 2.76Å
207	L	90.1	Very high	86.1	Confident	102 Å²	102	71 Å²	71	53%	0.534	40%	0.402	S	S	.	.	H	α-helix	trans	-64.1	-44.7	175.1	-178.2	64.8	0	0	0	111.9	H203 L204 Q205 Q209 A210 H211	H203-L207 WeakPolarHBondContact O-CB 3.16Å; H203-L207 PolarHBondContact O-N 3.15Å; L204-L207 HydrophobicContact CD1-CD2 4.27Å; L204-L207 WeakPolarHBondContact O-CB 3.43Å; L204-L207 PolarHBondContact O-N 3.28Å; Q205-L207 VanDerWaalsContact C-N 3.3Å; Q205-L207 PolarHBondContact O-N 2.85Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-A210 PolarHBondContact O-N 2.93Å; L207-H211 VanDerWaalsContact O-CB 3.28Å; L207-H211 WeakPolarHBondContact O-CB 3.21Å; L207-H211 PolarHBondContact O-N 2.79Å
208	M	89.9	Confident	84.9	Confident	41 Å²	41	72.7 Å²	72.7	20%	0.202	40%	0.398	C	S	.	.	H	α-helix	trans	-64.6	-38.9	176.5	-65.3	-60.2	111.4	0	0	111.8	A173 Q174 L204 Q205 H211 D212	A173-M208 HydrophobicContact CB-SD 3.88Å; Q174-M208 HydrophobicContact CB-CB 4.25Å; L204-M208 HydrophobicContact CD1-CE 3.98Å; L204-M208 WeakPolarHBondContact O-CG 3.48Å; L204-M208 PolarHBondContact O-N 3.41Å; Q205-M208 PolarHBondContact O-N 3.42Å; M208-H211 WeakPolarHBondContact O-CB 3.01Å; M208-H211 PolarHBondContact O-N 3.38Å; M208-D212 PolarHBondContact O-N 2.84Å
209	Q	88.3	Confident	83.5	Confident	106 Å²	106	71 Å²	71	50%	0.495	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-41.5	176.5	-173.9	179.7	2.4	0	0	112.2	Q205 A206 L207 S213	Q205-Q209 WeakPolarHBondContact O-CB 3.38Å; Q205-Q209 PolarHBondContact O-N 2.83Å; A206-Q209 PolarHBondContact O-N 3.02Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-S213 WeakPolarHBondContact O-CB 3.39Å; Q209-S213 PolarHBondContact O-N 3.23Å; Q209-S213 PolarHBondContact O-OG 2.87Å
210	A	87.1	Confident	81.6	Confident	53 Å²	53	73 Å²	73	44%	0.438	41%	0.408	S	S	.	.	H	α-helix	trans	-65.7	-42.4	174.6	0	0	0	0	0	111.1	A206 L207 S213 V214	A206-A210 WeakPolarHBondContact O-CB 3.22Å; A206-A210 PolarHBondContact O-N 2.76Å; L207-A210 PolarHBondContact O-N 2.93Å; A210-S213 PolarHBondContact O-N 2.99Å; A210-V214 WeakPolarHBondContact O-CG2 3.37Å; A210-V214 PolarHBondContact O-N 3.11Å
211	H	88.8	Confident	79.6	Confident	70 Å²	70	74.3 Å²	74.3	32%	0.324	41%	0.409	S	S	.	.	H	α-helix	trans	-55.2	-55.4	172.3	169.7	-82.9	0	0	0	110.8	T170 L207 M208 S213 V214 A215	T170-H211 PolarHBondContact O-CE1 2.86Å; L207-H211 VanDerWaalsContact O-CB 3.28Å; L207-H211 WeakPolarHBondContact O-CB 3.21Å; L207-H211 PolarHBondContact O-N 2.79Å; M208-H211 WeakPolarHBondContact O-CB 3.01Å; M208-H211 PolarHBondContact O-N 3.38Å; H211-S213 VanDerWaalsContact C-N 3.27Å; H211-S213 PolarHBondContact O-N 3.42Å; H211-V214 PolarHBondContact O-N 2.84Å; H211-A215 WeakPolarHBondContact O-CB 3.48Å; H211-A215 PolarHBondContact O-N 2.81Å
212	D	89.5	Confident	77.3	Confident	14 Å²	14	76.9 Å²	76.9	8%	0.075	42%	0.419	C	S	.	.	H	α-helix	trans	-63.3	-34.8	-177.7	-72.1	-4.4	0	0	0	111.7	V171 A173 Q174 M208 A215 V216	V171-D212 VanDerWaalsContact O-CG 3.3Å; A173-D212 VanDerWaalsContact CB-OD1 3.24Å; A173-D212 WeakPolarHBondContact CB-OD1 3.46Å; A173-D212 PolarHBondContact N-OD1 2.78Å; A173-D212 PolarHBondContact N-OD2 2.85Å; Q174-D212 WeakPolarHBondContact CB-OD2 3.48Å; Q174-D212 PolarHBondContact N-OD2 3.37Å; M208-D212 PolarHBondContact O-N 2.84Å; D212-A215 PolarHBondContact O-N 2.97Å; D212-V216 VanDerWaalsContact O-CB 3.28Å; D212-V216 WeakPolarHBondContact O-CB 3.41Å; D212-V216 WeakPolarHBondContact O-CG2 3.33Å; D212-V216 PolarHBondContact O-N 2.99Å
213	S	82.6	Confident	75.1	Confident	64 Å²	64	76 Å²	76	45%	0.448	42%	0.415	S	S	.	.	H	α-helix	trans	-64.7	-41.4	175.5	-58.5	0	0	0	0	112.8	Q209 A210 H211 Q217	Q209-S213 WeakPolarHBondContact O-CB 3.39Å; Q209-S213 PolarHBondContact O-N 3.23Å; Q209-S213 PolarHBondContact O-OG 2.87Å; A210-S213 PolarHBondContact O-N 2.99Å; H211-S213 VanDerWaalsContact C-N 3.27Å; H211-S213 PolarHBondContact O-N 3.42Å; S213-Q217 WeakPolarHBondContact O-CG 3.49Å; S213-Q217 PolarHBondContact O-N 3.5Å
214	V	79.1	Confident	73.1	Confident	76 Å²	76	72.5 Å²	72.5	46%	0.461	41%	0.405	S	S	.	.	H	α-helix	trans	-72.8	-41.9	175.4	174.7	0	0	0	0	110.2	A210 H211 V216 Q217 E218	A210-V214 WeakPolarHBondContact O-CG2 3.37Å; A210-V214 PolarHBondContact O-N 3.11Å; H211-V214 PolarHBondContact O-N 2.84Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 PolarHBondContact O-N 3.45Å; V214-Q217 WeakPolarHBondContact O-CA 3.41Å; V214-Q217 WeakPolarHBondContact O-CB 3.12Å; V214-Q217 PolarHBondContact O-N 3.12Å; V214-E218 HydrophobicContact CG1-CG 4.39Å; V214-E218 PolarHBondContact O-N 3.18Å
215	A	78.3	Confident	71.4	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.008	41%	0.412	C	S	.	.	H	α-helix	trans	-66.4	-36.6	-178.1	0	0	0	0	0	112.4	P168 V171 H211 D212 Q217 E218 I219	P168-A215 HydrophobicContact CB-CB 3.5Å; P168-A215 HydrophobicContact CG-CB 3.59Å; V171-A215 HydrophobicContact CG1-CB 4.36Å; H211-A215 WeakPolarHBondContact O-CB 3.48Å; H211-A215 PolarHBondContact O-N 2.81Å; D212-A215 PolarHBondContact O-N 2.97Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; A215-E218 PolarHBondContact O-N 3.46Å; A215-I219 VanDerWaalsContact O-CB 3.29Å; A215-I219 WeakPolarHBondContact O-CB 3.24Å; A215-I219 PolarHBondContact O-N 3.2Å
216	V	76.2	Confident	69.5	Low	74 Å²	74	77 Å²	77	45%	0.448	43%	0.429	S	S	.	.	H	α-helix	trans	-62.9	-38	171.1	167	0	0	0	0	110.8	V171 D212 V214 A220	V171-V216 HydrophobicContact CB-CG2 4Å; V171-V216 HydrophobicContact CG1-CG2 4.33Å; D212-V216 VanDerWaalsContact O-CB 3.28Å; D212-V216 WeakPolarHBondContact O-CB 3.41Å; D212-V216 WeakPolarHBondContact O-CG2 3.33Å; D212-V216 PolarHBondContact O-N 2.99Å; V214-V216 VanDerWaalsContact C-N 3.34Å; V214-V216 PolarHBondContact O-N 3.45Å; V216-A220 WeakPolarHBondContact O-CA 3.26Å; V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 3.27Å
217	Q	66.4	Low	67.7	Low	137 Å²	137	79.7 Å²	79.7	64%	0.64	43%	0.428	S	S	*	.	H	α-helix	trans	-70.7	-42.9	176.6	-70.1	176.1	5.3	0	0	111.9	S213 V214 A215 E221	S213-Q217 WeakPolarHBondContact O-CG 3.49Å; S213-Q217 PolarHBondContact O-N 3.5Å; V214-Q217 WeakPolarHBondContact O-CA 3.41Å; V214-Q217 WeakPolarHBondContact O-CB 3.12Å; V214-Q217 PolarHBondContact O-N 3.12Å; A215-Q217 VanDerWaalsContact C-N 3.3Å; Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 2.96Å
218	E	63	Low	66	Low	100 Å²	100	82.5 Å²	82.5	47%	0.467	44%	0.443	S	S	.	.	H	α-helix	trans	-68.3	-40.3	177.9	-73.1	-174.1	156	0	0	112.7	P168 V214 A215	P168-E218 WeakPolarHBondContact CD-OE2 3.18Å; P168-E218 HydrophobicContact CG-CB 4.29Å; V214-E218 HydrophobicContact CG1-CG 4.39Å; V214-E218 PolarHBondContact O-N 3.18Å; A215-E218 PolarHBondContact O-N 3.46Å
219	I	60.3	Low	64.6	Low	60 Å²	60	83.5 Å²	83.5	31%	0.308	46%	0.464	S	S	.	.	H	α-helix	trans	-79.5	-33.4	177.9	-72.6	172.6	0	0	0	112.4	P168 V171 A215 E221 E222 S223	P168-I219 HydrophobicContact CB-CD1 4.4Å; P168-I219 HydrophobicContact CG-CD1 3.63Å; P168-I219 HydrophobicContact CG-CG1 3.74Å; V171-I219 HydrophobicContact CG1-CB 3.94Å; V171-I219 HydrophobicContact CG1-CD1 3.32Å; V171-I219 HydrophobicContact CG1-CG1 4.13Å; V171-I219 HydrophobicContact CG1-CG2 4.19Å; A215-I219 VanDerWaalsContact O-CB 3.29Å; A215-I219 WeakPolarHBondContact O-CB 3.24Å; A215-I219 PolarHBondContact O-N 3.2Å; I219-E221 PolarHBondContact O-N 3.47Å; I219-E222 CarbonylContact O-C 3.43Å; I219-E222 WeakPolarHBondContact O-CA 3.46Å; I219-E222 PolarHBondContact O-N 3.28Å; I219-S223 PolarHBondContact O-N 3.4Å
220	A	48.9	Very low	63.7	Low	62 Å²	62	83.4 Å²	83.4	51%	0.512	46%	0.463	S	S	.	.	H	α-helix	trans	-67.3	-25.5	175.7	0	0	0	0	0	112.3	V216 E222 S223	V216-A220 WeakPolarHBondContact O-CA 3.26Å; V216-A220 WeakPolarHBondContact O-CB 3.42Å; V216-A220 PolarHBondContact O-N 3.27Å; A220-E222 VanDerWaalsContact C-N 3.34Å; A220-S223 VanDerWaalsContact O-CB 3.23Å; A220-S223 WeakPolarHBondContact O-CB 3.15Å; A220-S223 PolarHBondContact O-N 2.97Å
221	E	47.5	Very low	63.3	Low	103 Å²	103	84.9 Å²	84.9	48%	0.481	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-17.9	170.4	-71.4	-165.8	136.6	0	0	113.5	Q217 I219 S223 R236	Q217-E221 WeakPolarHBondContact O-CG 3.48Å; Q217-E221 PolarHBondContact O-N 2.96Å; I219-E221 PolarHBondContact O-N 3.47Å; E221-S223 VanDerWaalsContact C-N 3.29Å; E221-R236 VanDerWaalsContact CD-NH2 3.27Å; E221-R236 IonicContact OE1-CZ 2.72Å; E221-R236 IonicContact OE1-NH1 3.17Å; E221-R236 IonicContact OE1-NH2 2.75Å; E221-R236 PolarHBondContact OE1-NH2 3.26Å; E221-R236 IonicContact OE2-CZ 3.26Å; E221-R236 IonicContact OE2-NH1 2.85Å; E221-R236 PolarHBondContact OE2-NH1 3.22Å; E221-R236 IonicContact OE2-NH2 3.66Å; E221-R236 PolarHBondContact OE2-NH2 3.04Å
222	E	44.5	Very low	63	Low	118 Å²	118	81.8 Å²	81.8	55%	0.551	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	16.1	166.1	-70.7	-167.3	157.5	0	0	112.8	I219 A220 V224	I219-E222 CarbonylContact O-C 3.43Å; I219-E222 WeakPolarHBondContact O-CA 3.46Å; I219-E222 PolarHBondContact O-N 3.28Å; A220-E222 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.83Å
223	S	42.7	Very low	62.8	Low	74 Å²	74	84.6 Å²	84.6	52%	0.517	46%	0.464	S	S	.	.			trans	-58.6	99.9	174.2	167.4	0	0	0	0	110	I219 A220 E221 T225	I219-S223 PolarHBondContact O-N 3.4Å; A220-S223 VanDerWaalsContact O-CB 3.23Å; A220-S223 WeakPolarHBondContact O-CB 3.15Å; A220-S223 PolarHBondContact O-N 2.97Å; E221-S223 VanDerWaalsContact C-N 3.29Å; S223-T225 VanDerWaalsContact C-N 3.31Å; S223-T225 PolarHBondContact O-N 2.6Å
224	V	48.8	Very low	63	Low	83 Å²	83	85.1 Å²	85.1	50%	0.503	46%	0.462	S	S	.	.			trans	-51.4	94.2	165.5	-179.1	0	0	0	0	108.1	E222 T231	E222-V224 PolarHBondContact O-N 2.83Å; V224-T231 HydrophobicContact CG1-CG2 3.77Å
225	T	50.7	Low	63.5	Low	68 Å²	68	81.7 Å²	81.7	42%	0.417	44%	0.441	S	S	.	.			trans	-77.3	125.3	172.5	36	0	0	0	0	107.8	S223 Y227 V232	S223-T225 VanDerWaalsContact C-N 3.31Å; S223-T225 PolarHBondContact O-N 2.6Å; T225-Y227 PolarHBondContact O-N 3.48Å; T225-V232 WeakPolarHBondContact O-CG2 3.22Å; T225-V232 WeakPolarHBondContact OG1-CG2 3.34Å
226	Q	49	Very low	64	Low	157 Å²	157	87.2 Å²	87.2	73%	0.734	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	101.4	170.1	-79.5	175.4	-18.2	0	0	108.2	E230	Q226-E230 WeakPolarHBondContact CA-O 2.77Å
227	Y	49.2	Very low	64.6	Low	110 Å²	110	83.9 Å²	83.9	43%	0.431	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	113.6	168	-120.9	-101.5	0	0	0	106.7	T225 G229 E230 E281 L309	T225-Y227 PolarHBondContact O-N 3.48Å; Y227-G229 PolarHBondContact O-N 3.29Å; Y227-E230 PolarHBondContact N-O 2.79Å; Y227-E230 PolarHBondContact O-N 3.45Å; Y227-E230 VanDerWaalsContact O-N 3.07Å; Y227-E281 PolarHBondContact OH-OE1 3.34Å; Y227-L309 HydrophobicContact CD2-CD2 4.4Å; Y227-L309 HydrophobicContact CE2-CD2 4.24Å
228	L	55.5	Low	65.6	Low	162 Å²	162	83 Å²	83	85%	0.848	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	21.9	178.9	-59.7	168.2	0	0	0	115.5
229	G	60.1	Low	66.7	Low	61 Å²	61	78.8 Å²	78.8	63%	0.629	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.4	0.8	179.6	0	0	0	0	0	115.4	Y227	Y227-G229 PolarHBondContact O-N 3.29Å
230	E	69.7	Low	67.9	Low	104 Å²	104	78.7 Å²	78.7	49%	0.486	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	146	177.5	-66.3	176.9	167.1	0	0	111.2	Q226 Y227 V232 I311	Q226-E230 WeakPolarHBondContact CA-O 2.77Å; Y227-E230 PolarHBondContact N-O 2.79Å; Y227-E230 PolarHBondContact O-N 3.45Å; Y227-E230 VanDerWaalsContact O-N 3.07Å; E230-V232 PolarHBondContact O-N 2.95Å; E230-I311 WeakPolarHBondContact OE2-CD1 3.37Å
231	T	77.8	Confident	69.3	Low	84 Å²	84	83.5 Å²	83.5	52%	0.515	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	113.7	177.7	50.2	0	0	0	0	109.7	V224 P312	V224-T231 HydrophobicContact CG1-CG2 3.77Å; T231-P312 WeakPolarHBondContact O-CD 3.09Å
232	V	83.7	Confident	70.8	Confident	5 Å²	5	85.5 Å²	85.5	3%	0.03	45%	0.445	C	S	.	.			trans	-95.2	152	175.8	-53.9	0	0	0	0	112	T225 E230 L280 L309 L310 I311	T225-V232 WeakPolarHBondContact O-CG2 3.22Å; T225-V232 WeakPolarHBondContact OG1-CG2 3.34Å; E230-V232 PolarHBondContact O-N 2.95Å; V232-L280 HydrophobicContact CG1-CD1 3.9Å; V232-L309 HydrophobicContact CB-CD1 3.98Å; V232-L309 HydrophobicContact CB-CG 4.41Å; V232-L309 HydrophobicContact CG2-CD1 3.62Å; V232-L309 HydrophobicContact CG2-CG 4.48Å; V232-L310 CarbonylContact C-O 3.53Å; V232-L310 WeakPolarHBondContact CA-O 3.49Å; V232-L310 WeakPolarHBondContact CB-O 3.24Å; V232-I311 HydrophobicContact CG1-CG1 4.39Å
233	K	85.3	Confident	72.6	Confident	73 Å²	73	82.7 Å²	82.7	32%	0.317	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.7	177.6	-173.3	-166.9	-175.9	-173.9	0	108.6	V235 L272 L310	K233-V235 HydrophobicContact CD-CG1 3.71Å; K233-V235 VanDerWaalsContact CE-CG1 3.45Å; K233-V235 HydrophobicContact CG-CG1 3.77Å; K233-L272 PolarHBondContact NZ-O 2.96Å; K233-L310 HydrophobicContact CB-CB 4.41Å; K233-L310 PolarHBondContact N-O 3.28Å; K233-L310 PolarHBondContact O-N 3.44Å
234	L	86.8	Confident	74.7	Confident	75 Å²	75	80.2 Å²	80.2	39%	0.393	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.7	171.7	-168.5	73.6	0	0	0	108.8	T307 F308 L309	L234-T307 HydrophobicContact CD1-CG2 3.56Å; L234-T307 HydrophobicContact CD2-CG2 4.43Å; L234-T307 HydrophobicContact CG-CG2 4.02Å; L234-F308 CarbonylContact C-O 3.52Å; L234-F308 WeakPolarHBondContact CA-O 3.14Å; L234-L309 HydrophobicContact CD1-CD1 4.06Å
235	V	89.5	Confident	76.7	Confident	5 Å²	5	76.4 Å²	76.4	3%	0.03	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.9	177.9	-56.2	0	0	0	0	111.7	K233 L272 L273 T307 F308 L310	K233-V235 HydrophobicContact CD-CG1 3.71Å; K233-V235 VanDerWaalsContact CE-CG1 3.45Å; K233-V235 HydrophobicContact CG-CG1 3.77Å; V235-L272 HydrophobicContact CB-CB 4.01Å; V235-L272 HydrophobicContact CB-CD1 4.23Å; V235-L272 HydrophobicContact CG1-CB 4.08Å; V235-L272 HydrophobicContact CG2-CB 4.43Å; V235-L273 HydrophobicContact CG2-CD2 4.42Å; V235-T307 CarbonylContact O-C 3.53Å; V235-T307 WeakPolarHBondContact O-CA 3.32Å; V235-F308 HydrophobicContact CG2-CB 3.64Å; V235-F308 HydrophobicContact CG2-CD2 4.33Å; V235-F308 HydrophobicContact CG2-CG 4.3Å; V235-F308 PolarHBondContact N-O 3.47Å; V235-F308 PolarHBondContact O-N 2.99Å; V235-L310 HydrophobicContact CG1-CD1 4.26Å; V235-L310 HydrophobicContact CG2-CD1 3.55Å; V235-L310 HydrophobicContact CG2-CG 4.3Å
236	R	88.6	Confident	78.6	Confident	116 Å²	116	73.3 Å²	73.3	44%	0.438	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.4	178.7	-62.4	-177.5	-171.9	131.6	-11.7	110.4	E221 L272 T305 L306 T307	E221-R236 VanDerWaalsContact CD-NH2 3.27Å; E221-R236 IonicContact OE1-CZ 2.72Å; E221-R236 IonicContact OE1-NH1 3.17Å; E221-R236 IonicContact OE1-NH2 2.75Å; E221-R236 PolarHBondContact OE1-NH2 3.26Å; E221-R236 IonicContact OE2-CZ 3.26Å; E221-R236 IonicContact OE2-NH1 2.85Å; E221-R236 PolarHBondContact OE2-NH1 3.22Å; E221-R236 IonicContact OE2-NH2 3.66Å; E221-R236 PolarHBondContact OE2-NH2 3.04Å; R236-L272 VanDerWaalsContact O-CD1 3.29Å; R236-L272 WeakPolarHBondContact O-CD1 3.21Å; R236-T305 HydrophobicContact CB-CG2 4.21Å; R236-L306 CarbonylContact C-O 3.58Å; R236-L306 VanDerWaalsContact CA-O 3.31Å; R236-L306 WeakPolarHBondContact CA-O 3.09Å; R236-T307 HydrophobicContact CG-CG2 4.21Å
237	L	88.9	Confident	80.7	Confident	4 Å²	4	66 Å²	66	2%	0.021	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.7	-175.3	-95.5	161.5	0	0	0	110.2	L245 S270 L273 L306 F308	L237-L245 HydrophobicContact CB-CD2 4.31Å; L237-S270 VanDerWaalsContact CD2-CB 3.5Å; L237-S270 WeakPolarHBondContact CD2-OG 3.49Å; L237-L273 HydrophobicContact CD1-CD1 3.43Å; L237-L273 VanDerWaalsContact CD1-CD1 3.43Å; L237-L273 HydrophobicContact CD1-CD2 4.49Å; L237-L273 HydrophobicContact CD1-CG 3.67Å; L237-L306 PolarHBondContact N-O 3.38Å; L237-L306 PolarHBondContact O-N 2.92Å; L237-F308 HydrophobicContact CB-CD2 4.46Å; L237-F308 HydrophobicContact CB-CE2 4.07Å; L237-F308 HydrophobicContact CD1-CD2 4.17Å; L237-F308 HydrophobicContact CD1-CE2 3.9Å
238	Q	87.2	Confident	82.7	Confident	120 Å²	120	60.7 Å²	60.7	56%	0.561	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.3	173.9	-64.1	-59.2	-28.7	0	0	110.1	T305	Q238-T305 PolarHBondContact NE2-OG1 3.17Å; Q238-T305 PolarHBondContact OE1-OG1 3.49Å; Q238-T305 VanDerWaalsContact OE1-OG1 3.07Å
239	K	86.9	Confident	84.5	Confident	10 Å²	10	53 Å²	53	4%	0.043	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.6	173	-178.4	167.5	-175.5	-81	0	110.2	D26 L245 L299 M302 G304 L306	D26-K239 WeakPolarHBondContact OD2-CE 3.5Å; D26-K239 IonicContact OD2-NZ 3.54Å; D26-K239 PolarHBondContact OD2-NZ 3.21Å; K239-L245 HydrophobicContact CB-CD2 4.35Å; K239-L245 HydrophobicContact CD-CD1 4.11Å; K239-L245 HydrophobicContact CD-CG 4.19Å; K239-L245 HydrophobicContact CG-CG 4.42Å; K239-L299 WeakPolarHBondContact CE-O 3.15Å; K239-L299 PolarHBondContact NZ-O 3.23Å; K239-M302 WeakPolarHBondContact CD-O 3.42Å; K239-M302 WeakPolarHBondContact CE-O 3.21Å; K239-M302 PolarHBondContact NZ-O 3.13Å; K239-G304 PolarHBondContact N-O 3.32Å; K239-G304 PolarHBondContact O-N 2.69Å; K239-L306 HydrophobicContact CB-CD1 3.83Å; K239-L306 HydrophobicContact CB-CG 3.99Å; K239-L306 HydrophobicContact CD-CD1 3.68Å; K239-L306 HydrophobicContact CD-CG 4.47Å; K239-L306 HydrophobicContact CG-CD1 4.4Å
240	A	84.4	Confident	86.1	Confident	58 Å²	58	53.4 Å²	53.4	48%	0.479	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-72.9	155.6	170.7	0	0	0	0	0	110.8
241	R	79.6	Confident	87.2	Confident	164 Å²	164	50.3 Å²	50.3	62%	0.619	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	138.3	175.5	-176.5	-179.1	-84.1	-161.9	-10.7	109.6	T243	R241-T243 PolarHBondContact O-N 2.96Å; R241-T243 PolarHBondContact O-OG1 2.89Å
242	D	77.5	Confident	87.8	Confident	145 Å²	145	50.3 Å²	50.3	78%	0.775	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	17.2	177.3	-51.6	-38.2	0	0	0	115.2
243	T	82.3	Confident	88	Confident	58 Å²	58	57.8 Å²	57.8	36%	0.356	28%	0.284	S	S	.	.			trans	-119.1	122.2	178.5	-52.8	0	0	0	0	109.9	R241	R241-T243 PolarHBondContact O-N 2.96Å; R241-T243 PolarHBondContact O-OG1 2.89Å
244	P	87.6	Confident	88.2	Confident	23 Å²	23	59.8 Å²	59.8	15%	0.149	30%	0.298	C	S	.	.			trans	-55.8	147.1	174.2	13.3	-26	0	0	0	112.3	D26 G246 L381	D26-P244 WeakPolarHBondContact O-CA 3.4Å; D26-P244 WeakPolarHBondContact O-CB 3.29Å; P244-G246 PolarHBondContact O-N 3.2Å; P244-L381 HydrophobicContact CB-CD1 3.69Å; P244-L381 HydrophobicContact CG-CD1 3.37Å; P244-L381 HydrophobicContact CG-CG 4.12Å
245	L	89.6	Confident	88.4	Confident	2 Å²	2	57.6 Å²	57.6	1%	0.01	29%	0.287	C	S	.	.			trans	-61.8	-27.9	170.6	-79	147.7	0	0	0	112.7	V25 L237 K239 G265 A266 A267 L299 L306 F308	V25-L245 HydrophobicContact CG1-CD1 3.65Å; L237-L245 HydrophobicContact CB-CD2 4.31Å; K239-L245 HydrophobicContact CB-CD2 4.35Å; K239-L245 HydrophobicContact CD-CD1 4.11Å; K239-L245 HydrophobicContact CD-CG 4.19Å; K239-L245 HydrophobicContact CG-CG 4.42Å; L245-G265 CarbonylContact O-C 3.56Å; L245-A266 PolarHBondContact O-N 3.1Å; L245-A267 WeakPolarHBondContact O-CB 3.4Å; L245-A267 PolarHBondContact O-N 3.39Å; L245-L299 HydrophobicContact CD1-CD2 4.01Å; L245-L306 HydrophobicContact CD1-CD1 3.72Å; L245-L306 HydrophobicContact CD2-CD1 4.22Å; L245-L306 HydrophobicContact CG-CD1 4.42Å; L245-F308 HydrophobicContact CD1-CZ 4.27Å
246	G	91.3	Very high	88.6	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	79.1	45.4	-173.7	0	0	0	0	0	113	P244 V262	P244-G246 PolarHBondContact O-N 3.2Å; G246-V262 WeakPolarHBondContact O-CA 3.49Å; G246-V262 WeakPolarHBondContact O-CB 3.33Å; G246-V262 PolarHBondContact O-N 3.36Å
247	A	92.8	Very high	88.9	Confident	3 Å²	3	52.3 Å²	52.3	3%	0.025	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.5	166.6	0	0	0	0	0	109	V25 R260 A267	V25-A247 WeakPolarHBondContact CB-O 3.19Å; V25-A247 HydrophobicContact CG2-CB 4.04Å; V25-A247 WeakPolarHBondContact CG2-O 3.45Å; V25-A247 PolarHBondContact N-O 3.49Å; A247-R260 CarbonylContact C-O 3.55Å; A247-R260 VanDerWaalsContact CA-O 3.29Å; A247-R260 WeakPolarHBondContact CA-O 3.36Å; A247-A267 HydrophobicContact CB-CB 4.1Å
248	T	92.5	Very high	89.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.7	168.4	67.4	0	0	0	0	109.7	E22 R23 S259 R260 V262 C344 L347	E22-T248 PolarHBondContact OE2-OG1 3.47Å; R23-T248 VanDerWaalsContact O-CA 3.32Å; R23-T248 WeakPolarHBondContact O-CA 3.17Å; T248-S259 WeakPolarHBondContact CB-OG 3.39Å; T248-S259 PolarHBondContact O-N 3.07Å; T248-S259 PolarHBondContact O-OG 2.82Å; T248-S259 VanDerWaalsContact O-OG 3.07Å; T248-S259 PolarHBondContact OG1-OG 3.2Å; T248-R260 HydrophobicContact CG2-CB 4.49Å; T248-R260 PolarHBondContact N-O 2.79Å; T248-R260 PolarHBondContact O-N 2.9Å; T248-R260 WeakPolarHBondContact OG1-CB 3.48Å; T248-R260 PolarHBondContact OG1-N 2.9Å; T248-V262 HydrophobicContact CG2-CG2 4.48Å; T248-C344 HydrophobicContact CG2-CB 4.2Å; T248-L347 HydrophobicContact CG2-CD1 3.35Å
249	V	93.3	Very high	89.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.4	175.6	-71.7	0	0	0	0	110.8	R23 V25 V256 V257 S259 I279 I292	R23-V249 PolarHBondContact N-O 3.41Å; R23-V249 PolarHBondContact O-N 2.8Å; V25-V249 HydrophobicContact CG2-CB 4.42Å; V25-V249 HydrophobicContact CG2-CG1 3.67Å; V25-V249 HydrophobicContact CG2-CG2 4.13Å; V249-V256 HydrophobicContact CB-CG1 3.94Å; V249-V256 HydrophobicContact CG1-CG1 4.11Å; V249-V256 HydrophobicContact CG2-CG1 4.42Å; V249-V257 WeakPolarHBondContact CA-O 3.47Å; V249-S259 PolarHBondContact N-OG 3.15Å; V249-I279 HydrophobicContact CG1-CD1 3.81Å; V249-I292 HydrophobicContact CG2-CG2 4.22Å
250	R	92.3	Very high	89.5	Confident	69 Å²	69	47 Å²	47	26%	0.26	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	151.2	171.2	67.1	-177.3	178.6	-104.9	-11.7	110.2	E22 V257	E22-R250 HydrophobicContact CG-CB 4.45Å; R250-V257 PolarHBondContact N-O 3.45Å; R250-V257 PolarHBondContact O-N 3.01Å
251	N	92.8	Very high	89.9	Confident	39 Å²	39	45 Å²	45	21%	0.209	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125	167.4	-76	111.1	0	0	0	108.9	N255 K290 I292	N251-N255 WeakPolarHBondContact CA-O 3.42Å; N251-K290 PolarHBondContact ND2-O 2.96Å; N251-I292 HydrophobicContact CB-CG2 4.31Å; N251-I292 WeakPolarHBondContact OD1-CG1 3.02Å; N251-I292 WeakPolarHBondContact OD1-CG2 3.49Å; N251-I292 PolarHBondContact OD1-N 2.85Å
252	D	91.3	Very high	90.5	Very high	84 Å²	84	37.2 Å²	37.2	45%	0.449	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	102.8	166.3	-172.4	16.9	0	0	0	107.8	D254 N255 V257	D252-D254 PolarHBondContact O-N 2.96Å; D252-N255 PolarHBondContact N-O 3.01Å; D252-N255 WeakPolarHBondContact O-CA 3.36Å; D252-N255 WeakPolarHBondContact O-CB 3.27Å; D252-N255 PolarHBondContact O-N 2.96Å; D252-V257 HydrophobicContact CB-CG2 4.04Å
253	M	88.7	Confident	91.2	Very high	163 Å²	163	32 Å²	32	80%	0.803	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	-123	-166.6	-56.8	-65.4	-65.4	0	0	111	N255	M253-N255 VanDerWaalsContact C-N 3.33Å
254	D	88.3	Confident	91.4	Very high	114 Å²	114	30.3 Å²	30.3	61%	0.61	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.8	176.6	-62.5	-36.4	0	0	0	112.9	D252 G289	D252-D254 PolarHBondContact O-N 2.96Å; D254-G289 PolarHBondContact O-N 2.94Å
255	N	91.6	Very high	91.5	Very high	29 Å²	29	29.3 Å²	29.3	16%	0.155	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	150	-175.7	-59.3	-6.4	0	0	0	110.1	N251 D252 M253 V257 E278 R288	N251-N255 WeakPolarHBondContact CA-O 3.42Å; D252-N255 PolarHBondContact N-O 3.01Å; D252-N255 WeakPolarHBondContact O-CA 3.36Å; D252-N255 WeakPolarHBondContact O-CB 3.27Å; D252-N255 PolarHBondContact O-N 2.96Å; M253-N255 VanDerWaalsContact C-N 3.33Å; N255-V257 HydrophobicContact CB-CG2 4.48Å; N255-E278 HydrophobicContact CB-CG 4.08Å; N255-E278 VanDerWaalsContact CG-CD 3.46Å; N255-E278 PolarHBondContact ND2-OE1 3.42Å; N255-E278 VanDerWaalsContact ND2-OE1 3.12Å; N255-E278 PolarHBondContact ND2-OE2 3.29Å; N255-E278 PolarHBondContact OD1-OE1 3Å; N255-R288 PolarHBondContact OD1-NE 3.02Å; N255-R288 PolarHBondContact OD1-NH2 3.39Å
256	V	93.8	Very high	91.4	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	117.1	174.2	179	0	0	0	0	107.4	V249 I279 I287 V295	V249-V256 HydrophobicContact CB-CG1 3.94Å; V249-V256 HydrophobicContact CG1-CG1 4.11Å; V249-V256 HydrophobicContact CG2-CG1 4.42Å; V256-I279 HydrophobicContact CG1-CD1 4.45Å; V256-I279 PolarHBondContact O-N 3.02Å; V256-I287 HydrophobicContact CB-CG2 3.71Å; V256-I287 HydrophobicContact CG1-CG2 4.05Å; V256-I287 HydrophobicContact CG2-CG2 3.66Å; V256-V295 HydrophobicContact CG2-CG2 4.25Å
257	V	93.6	Very high	91.4	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.067	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	137.2	-173.1	-177.6	0	0	0	0	109.4	V249 R250 D252 N255 S259 D277 E278	V249-V257 WeakPolarHBondContact CA-O 3.47Å; R250-V257 PolarHBondContact N-O 3.45Å; R250-V257 PolarHBondContact O-N 3.01Å; D252-V257 HydrophobicContact CB-CG2 4.04Å; N255-V257 HydrophobicContact CB-CG2 4.48Å; V257-S259 PolarHBondContact O-N 3.4Å; V257-S259 VanDerWaalsContact O-N 3.15Å; V257-D277 WeakPolarHBondContact CA-O 3.39Å; V257-E278 HydrophobicContact CG2-CB 4.42Å
258	V	93.4	Very high	91.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	113.9	171.2	178.5	0	0	0	0	108.2	V261 L273 S274 G276 D277 I279	V258-V261 HydrophobicContact CG1-CG2 4.3Å; V258-L273 HydrophobicContact CG2-CD2 4.39Å; V258-S274 WeakPolarHBondContact CB-O 3.42Å; V258-S274 WeakPolarHBondContact CG1-O 3.37Å; V258-G276 PolarHBondContact O-N 2.9Å; V258-D277 HydrophobicContact CB-CB 4.46Å; V258-D277 HydrophobicContact CG2-CB 4.21Å; V258-D277 PolarHBondContact N-O 2.88Å; V258-I279 HydrophobicContact CG2-CD1 3.95Å; V258-I279 HydrophobicContact CG2-CG1 4.06Å
259	S	91	Very high	90.9	Very high	7 Å²	7	40.4 Å²	40.4	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-40.7	-178.4	43.1	0	0	0	0	113.3	E22 T248 V249 V257	E22-S259 VanDerWaalsContact CD-CB 3.45Å; E22-S259 VanDerWaalsContact CD-OG 3.28Å; E22-S259 WeakPolarHBondContact OE1-CB 3.48Å; E22-S259 PolarHBondContact OE2-OG 3.31Å; T248-S259 WeakPolarHBondContact CB-OG 3.39Å; T248-S259 PolarHBondContact O-N 3.07Å; T248-S259 PolarHBondContact O-OG 2.82Å; T248-S259 VanDerWaalsContact O-OG 3.07Å; T248-S259 PolarHBondContact OG1-OG 3.2Å; V249-S259 PolarHBondContact N-OG 3.15Å; V257-S259 PolarHBondContact O-N 3.4Å; V257-S259 VanDerWaalsContact O-N 3.15Å
260	R	91.9	Very high	90.6	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.2	-178.2	-168.1	177.3	-63.7	-102.7	-10.2	111.4	A247 T248 E275 D364 W367	A247-R260 CarbonylContact C-O 3.55Å; A247-R260 VanDerWaalsContact CA-O 3.29Å; A247-R260 WeakPolarHBondContact CA-O 3.36Å; T248-R260 HydrophobicContact CG2-CB 4.49Å; T248-R260 PolarHBondContact N-O 2.79Å; T248-R260 PolarHBondContact O-N 2.9Å; T248-R260 WeakPolarHBondContact OG1-CB 3.48Å; T248-R260 PolarHBondContact OG1-N 2.9Å; R260-E275 WeakPolarHBondContact CA-OE1 3.38Å; R260-D364 IonicContact CZ-OD2 3.43Å; R260-D364 IonicContact NH1-OD2 2.76Å; R260-D364 IonicContact NH2-OD2 2.7Å; R260-D364 PolarHBondContact NH2-OD2 3.34Å; R260-W367 PolarHBondContact NH1-O 3.26Å
261	V	92.7	Very high	90.4	Very high	16 Å²	16	41.6 Å²	41.6	10%	0.097	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	121.5	165.5	-178.6	0	0	0	0	109.4	V258 A267 E268 E275 Q369	V258-V261 HydrophobicContact CG1-CG2 4.3Å; V261-A267 HydrophobicContact CG1-CB 4.31Å; V261-E268 HydrophobicContact CG1-CB 3.72Å; V261-E268 HydrophobicContact CG1-CG 4.22Å; V261-E275 HydrophobicContact CG2-CG 4.21Å; V261-E275 PolarHBondContact N-OE1 3.24Å; V261-Q369 PolarHBondContact O-NE2 3.45Å
262	V	93.3	Very high	90.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	23%	0.232	C	C	.	.			trans	-88.3	129.8	-174.9	-172.5	0	0	0	0	110.3	G246 T248 G265 L347 Q369 L381 A382	G246-V262 WeakPolarHBondContact O-CA 3.49Å; G246-V262 WeakPolarHBondContact O-CB 3.33Å; G246-V262 PolarHBondContact O-N 3.36Å; T248-V262 HydrophobicContact CG2-CG2 4.48Å; V262-G265 PolarHBondContact O-N 3.03Å; V262-L347 HydrophobicContact CG1-CD2 4.42Å; V262-L347 HydrophobicContact CG2-CD1 3.6Å; V262-L347 HydrophobicContact CG2-CD2 4.39Å; V262-Q369 VanDerWaalsContact CA-OE1 3.31Å; V262-L381 HydrophobicContact CG1-CB 4.03Å; V262-L381 HydrophobicContact CG1-CD1 4.45Å; V262-L381 HydrophobicContact CG1-CD2 4.44Å; V262-A382 HydrophobicContact CG1-CB 4.39Å; V262-A382 WeakPolarHBondContact CG1-O 3.43Å
263	K	90.9	Very high	90.1	Very high	36 Å²	36	39 Å²	39	16%	0.157	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	140	177.2	-63.5	-54.6	-172.5	-174.4	0	111	G265 E268 I360 Q369 Y371 A382	K263-G265 VanDerWaalsContact C-N 3.27Å; K263-G265 PolarHBondContact O-N 3.43Å; K263-E268 HydrophobicContact CD-CG 3.97Å; K263-E268 WeakPolarHBondContact CD-OE1 3.5Å; K263-E268 IonicContact NZ-OE1 3.55Å; K263-E268 PolarHBondContact NZ-OE1 3.14Å; K263-I360 HydrophobicContact CB-CD1 3.9Å; K263-I360 HydrophobicContact CG-CB 4.49Å; K263-I360 HydrophobicContact CG-CD1 4.45Å; K263-Q369 HydrophobicContact CG-CB 4.5Å; K263-Y371 PolarHBondContact O-OH 3.48Å; K263-A382 HydrophobicContact CB-CB 3.87Å; K263-A382 PolarHBondContact O-N 3.47Å
264	G	87.4	Confident	90.1	Very high	23 Å²	23	32.8 Å²	32.8	24%	0.237	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-2.3	-175.5	0	0	0	0	0	114.5	R269	G264-R269 PolarHBondContact O-NH1 3.44Å
265	G	88.8	Confident	90.2	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	17%	0.173	C	C	.	.	S	Bend	trans	-83.3	162.3	176.5	0	0	0	0	0	114.9	L245 V262 K263 A267 E268 R269	L245-G265 CarbonylContact O-C 3.56Å; V262-G265 PolarHBondContact O-N 3.03Å; K263-G265 VanDerWaalsContact C-N 3.27Å; K263-G265 PolarHBondContact O-N 3.43Å; G265-A267 VanDerWaalsContact C-N 3.27Å; G265-A267 PolarHBondContact O-N 3.3Å; G265-E268 PolarHBondContact O-N 3.26Å; G265-R269 WeakPolarHBondContact O-CG 3.38Å; G265-R269 PolarHBondContact O-N 3.27Å; G265-R269 VanDerWaalsContact O-N 3.15Å; G265-R269 PolarHBondContact O-NH1 2.79Å
266	A	88.6	Confident	90.2	Very high	17 Å²	17	30.3 Å²	30.3	14%	0.14	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-35.4	171.3	0	0	0	0	0	112	L245 S270	L245-A266 PolarHBondContact O-N 3.1Å; A266-S270 WeakPolarHBondContact O-CB 3.3Å; A266-S270 PolarHBondContact O-N 3.36Å
267	A	90.7	Very high	90.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-48.2	175.6	0	0	0	0	0	111.6	L245 A247 V261 G265 S270 G271 L273	L245-A267 WeakPolarHBondContact O-CB 3.4Å; L245-A267 PolarHBondContact O-N 3.39Å; A247-A267 HydrophobicContact CB-CB 4.1Å; V261-A267 HydrophobicContact CG1-CB 4.31Å; G265-A267 VanDerWaalsContact C-N 3.27Å; G265-A267 PolarHBondContact O-N 3.3Å; A267-S270 PolarHBondContact O-OG 3.01Å; A267-G271 PolarHBondContact O-N 2.9Å; A267-L273 HydrophobicContact CB-CD1 3.96Å
268	E	89.2	Confident	90.1	Very high	53 Å²	53	31.3 Å²	31.3	25%	0.248	18%	0.178	C	C	.	.	H	α-helix	trans	-66.6	-48.4	179	-167.9	-123.6	-170.9	0	0	112.2	V261 K263 G265 S270 G271	V261-E268 HydrophobicContact CG1-CB 3.72Å; V261-E268 HydrophobicContact CG1-CG 4.22Å; K263-E268 HydrophobicContact CD-CG 3.97Å; K263-E268 WeakPolarHBondContact CD-OE1 3.5Å; K263-E268 IonicContact NZ-OE1 3.55Å; K263-E268 PolarHBondContact NZ-OE1 3.14Å; G265-E268 PolarHBondContact O-N 3.26Å; E268-S270 PolarHBondContact O-N 2.86Å; E268-G271 PolarHBondContact O-N 2.84Å
269	R	86.4	Confident	90.1	Very high	172 Å²	172	31.5 Å²	31.5	65%	0.649	18%	0.179	S	C	*	.	H	α-helix	trans	-59	-33.5	179.9	-72.1	-168.7	-61.8	-83.9	0.9	113	G264 G265 G271	G264-R269 PolarHBondContact O-NH1 3.44Å; G265-R269 WeakPolarHBondContact O-CG 3.38Å; G265-R269 PolarHBondContact O-N 3.27Å; G265-R269 VanDerWaalsContact O-N 3.15Å; G265-R269 PolarHBondContact O-NH1 2.79Å; R269-G271 VanDerWaalsContact C-N 3.35Å
270	S	86.9	Confident	90.2	Very high	41 Å²	41	32 Å²	32	29%	0.287	18%	0.181	S	C	.	.	H	α-helix	trans	-71.6	-29.2	177.8	77.6	0	0	0	0	113.2	L237 A266 A267 E268 L272	L237-S270 VanDerWaalsContact CD2-CB 3.5Å; L237-S270 WeakPolarHBondContact CD2-OG 3.49Å; A266-S270 WeakPolarHBondContact O-CB 3.3Å; A266-S270 PolarHBondContact O-N 3.36Å; A267-S270 PolarHBondContact O-OG 3.01Å; E268-S270 PolarHBondContact O-N 2.86Å; S270-L272 PolarHBondContact O-N 3.28Å; S270-L272 VanDerWaalsContact O-N 3.1Å; S270-L272 WeakPolarHBondContact OG-CB 3.2Å; S270-L272 PolarHBondContact OG-N 3.44Å
271	G	86.1	Confident	90.3	Very high	53 Å²	53	33.7 Å²	33.7	55%	0.546	19%	0.19	S	C	.	.			trans	61.4	7.8	-168.5	0	0	0	0	0	114.8	A267 E268 R269	A267-G271 PolarHBondContact O-N 2.9Å; E268-G271 PolarHBondContact O-N 2.84Å; R269-G271 VanDerWaalsContact C-N 3.35Å
272	L	87.4	Confident	90.3	Very high	60 Å²	60	33 Å²	33	31%	0.314	19%	0.185	S	C	.	.			trans	-84.8	-27.2	-173.1	-63.8	178.4	0	0	0	113.2	K233 V235 R236 S270	K233-L272 PolarHBondContact NZ-O 2.96Å; V235-L272 HydrophobicContact CB-CB 4.01Å; V235-L272 HydrophobicContact CB-CD1 4.23Å; V235-L272 HydrophobicContact CG1-CB 4.08Å; V235-L272 HydrophobicContact CG2-CB 4.43Å; R236-L272 VanDerWaalsContact O-CD1 3.29Å; R236-L272 WeakPolarHBondContact O-CD1 3.21Å; S270-L272 PolarHBondContact O-N 3.28Å; S270-L272 VanDerWaalsContact O-N 3.1Å; S270-L272 WeakPolarHBondContact OG-CB 3.2Å; S270-L272 PolarHBondContact OG-N 3.44Å
273	L	90.6	Very high	90.2	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	20%	0.203	C	C	.	.			trans	-100.6	137.7	175	-69.4	174.6	0	0	0	111.1	V235 L237 V258 A267 L310	V235-L273 HydrophobicContact CG2-CD2 4.42Å; L237-L273 HydrophobicContact CD1-CD1 3.43Å; L237-L273 VanDerWaalsContact CD1-CD1 3.43Å; L237-L273 HydrophobicContact CD1-CD2 4.49Å; L237-L273 HydrophobicContact CD1-CG 3.67Å; V258-L273 HydrophobicContact CG2-CD2 4.39Å; A267-L273 HydrophobicContact CB-CD1 3.96Å; L273-L310 HydrophobicContact CD2-CD1 3.49Å; L273-L310 VanDerWaalsContact CD2-CD1 3.49Å; L273-L310 HydrophobicContact CD2-CD2 4.31Å
274	S	90.1	Very high	90	Very high	32 Å²	32	37.2 Å²	37.2	22%	0.224	22%	0.223	C	C	.	.			trans	-127.2	150.9	173.9	-79.9	0	0	0	0	112.1	V258 G276 D277 K317	V258-S274 WeakPolarHBondContact CB-O 3.42Å; V258-S274 WeakPolarHBondContact CG1-O 3.37Å; S274-G276 PolarHBondContact O-N 3.38Å; S274-D277 PolarHBondContact N-OD2 3.3Å; S274-D277 WeakPolarHBondContact O-CB 3.47Å; S274-D277 VanDerWaalsContact O-CG 3.22Å; S274-D277 PolarHBondContact O-N 3.33Å; S274-D277 VanDerWaalsContact O-N 3.11Å; S274-K317 PolarHBondContact OG-NZ 3.3Å
275	E	90.6	Very high	90.3	Very high	72 Å²	72	38.9 Å²	38.9	34%	0.336	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	130	171.2	-56.2	-174.2	170.2	0	0	109.7	R260 V261	R260-E275 WeakPolarHBondContact CA-OE1 3.38Å; V261-E275 HydrophobicContact CG2-CG 4.21Å; V261-E275 PolarHBondContact N-OE1 3.24Å
276	G	90.4	Very high	90.5	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	-4.1	-174.9	0	0	0	0	0	115	V258 S274 E278 S313	V258-G276 PolarHBondContact O-N 2.9Å; S274-G276 PolarHBondContact O-N 3.38Å; G276-E278 PolarHBondContact O-N 3.35Å; G276-S313 VanDerWaalsContact C-CB 3.46Å; G276-S313 WeakPolarHBondContact O-CB 3.48Å
277	D	92	Very high	90.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	24%	0.243	C	C	.	.			trans	-67.7	129.9	173.6	-69.2	-12.6	0	0	0	109.9	V257 V258 S274 I311 P312 S313	V257-D277 WeakPolarHBondContact CA-O 3.39Å; V258-D277 HydrophobicContact CB-CB 4.46Å; V258-D277 HydrophobicContact CG2-CB 4.21Å; V258-D277 PolarHBondContact N-O 2.88Å; S274-D277 PolarHBondContact N-OD2 3.3Å; S274-D277 WeakPolarHBondContact O-CB 3.47Å; S274-D277 VanDerWaalsContact O-CG 3.22Å; S274-D277 PolarHBondContact O-N 3.33Å; S274-D277 VanDerWaalsContact O-N 3.11Å; D277-I311 WeakPolarHBondContact CA-O 3.45Å; D277-P312 WeakPolarHBondContact OD1-CA 3.18Å; D277-S313 PolarHBondContact OD1-N 2.99Å
278	E	93.6	Very high	90.7	Very high	29 Å²	29	47.7 Å²	47.7	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.6	174.8	179.1	176.4	154.6	0	0	110.1	N255 V257 G276 L310 I311	N255-E278 HydrophobicContact CB-CG 4.08Å; N255-E278 VanDerWaalsContact CG-CD 3.46Å; N255-E278 PolarHBondContact ND2-OE1 3.42Å; N255-E278 VanDerWaalsContact ND2-OE1 3.12Å; N255-E278 PolarHBondContact ND2-OE2 3.29Å; N255-E278 PolarHBondContact OD1-OE1 3Å; V257-E278 HydrophobicContact CG2-CB 4.42Å; G276-E278 PolarHBondContact O-N 3.35Å; E278-L310 CarbonylContact O-C 3.53Å; E278-L310 WeakPolarHBondContact O-CA 3.32Å; E278-I311 HydrophobicContact CB-CB 4.16Å; E278-I311 HydrophobicContact CB-CD1 4.44Å; E278-I311 HydrophobicContact CG-CD1 4.38Å; E278-I311 PolarHBondContact N-O 3.43Å; E278-I311 PolarHBondContact O-N 3.22Å
279	I	93.9	Very high	90.6	Very high	4 Å²	4	47.9 Å²	47.9	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	113	-179.3	-51.5	177.6	0	0	0	109.7	V249 V256 V258 I282 I287 F308 L310	V249-I279 HydrophobicContact CG1-CD1 3.81Å; V256-I279 HydrophobicContact CG1-CD1 4.45Å; V256-I279 PolarHBondContact O-N 3.02Å; V258-I279 HydrophobicContact CG2-CD1 3.95Å; V258-I279 HydrophobicContact CG2-CG1 4.06Å; I279-I282 HydrophobicContact CG2-CD1 4.05Å; I279-I282 HydrophobicContact CG2-CG1 3.81Å; I279-I287 HydrophobicContact CB-CG2 4.4Å; I279-I287 HydrophobicContact CG2-CB 4.16Å; I279-I287 HydrophobicContact CG2-CG1 4.02Å; I279-I287 HydrophobicContact CG2-CG2 4.17Å; I279-F308 HydrophobicContact CG2-CD1 4.18Å; I279-L310 HydrophobicContact CB-CD2 4.12Å; I279-L310 HydrophobicContact CG1-CD2 3.74Å; I279-L310 HydrophobicContact CG2-CD2 4.22Å
280	L	92.4	Very high	90.8	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	-49.7	176.3	-63.1	-180	0	0	0	111.8	V232 I287 L309 I311	V232-L280 HydrophobicContact CG1-CD1 3.9Å; L280-I287 PolarHBondContact O-N 2.92Å; L280-L309 HydrophobicContact CB-CB 4.37Å; L280-L309 HydrophobicContact CB-CD2 4.23Å; L280-L309 HydrophobicContact CB-CG 4.32Å; L280-L309 WeakPolarHBondContact CB-O 3.36Å; L280-L309 HydrophobicContact CD1-CD2 4.28Å; L280-L309 HydrophobicContact CD1-CG 4.35Å; L280-L309 PolarHBondContact N-O 2.8Å; L280-I311 HydrophobicContact CD1-CD1 3.98Å; L280-I311 HydrophobicContact CD1-CG1 3.82Å; L280-I311 HydrophobicContact CD2-CD1 3.83Å; L280-I311 HydrophobicContact CD2-CG1 4.44Å; L280-I311 HydrophobicContact CG-CD1 4.09Å; L280-I311 HydrophobicContact CG-CG1 4.15Å
281	E	93.4	Very high	91.1	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.5	-175.5	-57.6	-178.3	-175.8	0	0	112.1	Y227 I285 F308 L309	Y227-E281 PolarHBondContact OH-OE1 3.34Å; E281-I285 VanDerWaalsContact CA-O 3.26Å; E281-I285 WeakPolarHBondContact CA-O 3.49Å; E281-F308 WeakPolarHBondContact O-CA 3.37Å; E281-L309 HydrophobicContact CB-CB 3.91Å; E281-L309 HydrophobicContact CB-CD2 4.47Å; E281-L309 HydrophobicContact CG-CB 4.43Å; E281-L309 HydrophobicContact CG-CD2 4.11Å; E281-L309 PolarHBondContact N-O 2.79Å; E281-L309 PolarHBondContact O-N 2.9Å
282	I	93.5	Very high	91.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.1	170.4	-57.2	172	0	0	0	108.4	I279 G284 I285 I287 L299 M302 T307 F308	I279-I282 HydrophobicContact CG2-CD1 4.05Å; I279-I282 HydrophobicContact CG2-CG1 3.81Å; I282-G284 PolarHBondContact O-N 2.75Å; I282-I285 PolarHBondContact N-O 2.66Å; I282-I285 WeakPolarHBondContact O-CB 3.45Å; I282-I285 PolarHBondContact O-N 3.06Å; I282-I287 HydrophobicContact CB-CD1 4.26Å; I282-I287 HydrophobicContact CB-CG1 4.25Å; I282-I287 HydrophobicContact CD1-CD1 3.87Å; I282-I287 HydrophobicContact CD1-CG1 3.8Å; I282-I287 HydrophobicContact CG1-CD1 4.06Å; I282-I287 HydrophobicContact CG1-CG1 3.68Å; I282-L299 HydrophobicContact CD1-CD1 3.6Å; I282-L299 HydrophobicContact CD1-CD2 4.15Å; I282-L299 HydrophobicContact CD1-CG 4.16Å; I282-L299 HydrophobicContact CG2-CD2 4.24Å; I282-M302 HydrophobicContact CG2-CE 3.91Å; I282-M302 HydrophobicContact CG2-SD 4.14Å; I282-T307 CarbonylContact C-O 3.59Å; I282-T307 WeakPolarHBondContact CA-O 3.45Å; I282-F308 HydrophobicContact CD1-CD1 4.03Å; I282-F308 HydrophobicContact CD1-CE1 3.6Å; I282-F308 HydrophobicContact CD1-CZ 4.44Å; I282-F308 HydrophobicContact CG1-CD1 3.64Å; I282-F308 HydrophobicContact CG1-CE1 3.7Å; I282-F308 HydrophobicContact CG1-CG 4.45Å; I282-F308 HydrophobicContact CG2-CE1 4.36Å; I282-F308 HydrophobicContact CG2-CZ 4.45Å
283	N	91.8	Very high	91.4	Very high	71 Å²	71	42.7 Å²	42.7	38%	0.38	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	39.4	-173.6	-71.2	-8.1	0	0	0	113.5	I285 M302 T305 L306 T307	N283-I285 VanDerWaalsContact C-N 3.26Å; N283-I285 PolarHBondContact O-N 2.69Å; N283-M302 HydrophobicContact CB-CE 3.62Å; N283-M302 WeakPolarHBondContact ND2-CE 3.32Å; N283-T305 PolarHBondContact ND2-O 3.1Å; N283-L306 WeakPolarHBondContact OD1-CA 3.29Å; N283-T307 PolarHBondContact N-O 2.8Å; N283-T307 PolarHBondContact OD1-N 2.91Å
284	G	87.3	Confident	91.4	Very high	56 Å²	56	47.2 Å²	47.2	58%	0.577	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	4.5	-178.5	0	0	0	0	0	114.9	I282	I282-G284 PolarHBondContact O-N 2.75Å
285	I	92.3	Very high	91.4	Very high	57 Å²	57	45.7 Å²	45.7	29%	0.292	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.6	172.9	-56.6	172.5	0	0	0	108.3	E281 I282 N283 I287 L298	E281-I285 VanDerWaalsContact CA-O 3.26Å; E281-I285 WeakPolarHBondContact CA-O 3.49Å; I282-I285 PolarHBondContact N-O 2.66Å; I282-I285 WeakPolarHBondContact O-CB 3.45Å; I282-I285 PolarHBondContact O-N 3.06Å; N283-I285 VanDerWaalsContact C-N 3.26Å; N283-I285 PolarHBondContact O-N 2.69Å; I285-I287 PolarHBondContact O-N 3.29Å; I285-L298 HydrophobicContact CD1-CD1 3.81Å; I285-L298 HydrophobicContact CD1-CD2 4.31Å; I285-L298 HydrophobicContact CG2-CD2 4.08Å
286	P	92.9	Very high	91.3	Very high	80 Å²	80	42.3 Å²	42.3	52%	0.519	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	130.9	176.9	27.3	-33.6	0	0	0	110.5	K290	P286-K290 WeakPolarHBondContact O-CE 3.43Å
287	I	93.6	Very high	91.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.			trans	-101.8	-28.5	-178.8	-61	-52.5	0	0	0	111.8	V256 I279 L280 I282 I285 G289 K290 V295 L298	V256-I287 HydrophobicContact CB-CG2 3.71Å; V256-I287 HydrophobicContact CG1-CG2 4.05Å; V256-I287 HydrophobicContact CG2-CG2 3.66Å; I279-I287 HydrophobicContact CB-CG2 4.4Å; I279-I287 HydrophobicContact CG2-CB 4.16Å; I279-I287 HydrophobicContact CG2-CG1 4.02Å; I279-I287 HydrophobicContact CG2-CG2 4.17Å; L280-I287 PolarHBondContact O-N 2.92Å; I282-I287 HydrophobicContact CB-CD1 4.26Å; I282-I287 HydrophobicContact CB-CG1 4.25Å; I282-I287 HydrophobicContact CD1-CD1 3.87Å; I282-I287 HydrophobicContact CD1-CG1 3.8Å; I282-I287 HydrophobicContact CG1-CD1 4.06Å; I282-I287 HydrophobicContact CG1-CG1 3.68Å; I285-I287 PolarHBondContact O-N 3.29Å; I287-G289 PolarHBondContact O-N 3.36Å; I287-K290 VanDerWaalsContact O-CB 3.27Å; I287-K290 WeakPolarHBondContact O-CB 3.42Å; I287-K290 PolarHBondContact O-N 2.88Å; I287-V295 HydrophobicContact CG2-CG1 4.39Å; I287-V295 HydrophobicContact CG2-CG2 3.8Å; I287-L298 HydrophobicContact CD1-CD2 3.73Å
288	R	89.4	Confident	91.2	Very high	124 Å²	124	46.5 Å²	46.5	47%	0.468	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	134.3	176.4	-165.4	174.1	-173	164.5	2.8	111.2	N255 K290	N255-R288 PolarHBondContact OD1-NE 3.02Å; N255-R288 PolarHBondContact OD1-NH2 3.39Å; R288-K290 VanDerWaalsContact C-N 3.26Å; R288-K290 PolarHBondContact O-N 3.26Å
289	G	87.4	Confident	90.9	Very high	56 Å²	56	45.1 Å²	45.1	58%	0.577	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-6.5	-175.7	0	0	0	0	0	114.9	D254 I287	D254-G289 PolarHBondContact O-N 2.94Å; I287-G289 PolarHBondContact O-N 3.36Å
290	K	92.3	Very high	90.5	Very high	56 Å²	56	49 Å²	49	24%	0.243	27%	0.269	C	S	.	.			trans	-82.6	145.4	173.6	-63.1	-167.4	171.4	-166.7	0	111.6	N251 P286 I287 R288 V295	N251-K290 PolarHBondContact ND2-O 2.96Å; P286-K290 WeakPolarHBondContact O-CE 3.43Å; I287-K290 VanDerWaalsContact O-CB 3.27Å; I287-K290 WeakPolarHBondContact O-CB 3.42Å; I287-K290 PolarHBondContact O-N 2.88Å; R288-K290 VanDerWaalsContact C-N 3.26Å; R288-K290 PolarHBondContact O-N 3.26Å; K290-V295 HydrophobicContact CB-CG2 3.97Å
291	H	91.9	Very high	90.3	Very high	88 Å²	88	56.1 Å²	56.1	41%	0.407	30%	0.302	S	S	.	.			trans	-75.1	145.7	171.9	-170.2	-93.7	0	0	0	110.7	N293 E294 V295	H291-N293 VanDerWaalsContact CE1-CG 3.44Å; H291-N293 PolarHBondContact CE1-ND2 3.29Å; H291-N293 VanDerWaalsContact CE1-ND2 3.28Å; H291-N293 WeakPolarHBondContact ND1-CB 3.25Å; H291-N293 VanDerWaalsContact ND1-CG 3.3Å; H291-N293 PolarHBondContact ND1-N 3.23Å; H291-N293 PolarHBondContact ND1-ND2 3.4Å; H291-N293 PolarHBondContact O-N 3.31Å; H291-E294 WeakPolarHBondContact O-CB 3.07Å; H291-E294 PolarHBondContact O-N 3.18Å; H291-V295 PolarHBondContact O-N 3.07Å
292	I	89.9	Confident	90	Very high	10 Å²	10	55 Å²	55	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-51.5	-28.8	-180	52.3	169.1	0	0	0	114	R23 V249 N251 V295 H296	R23-I292 HydrophobicContact CB-CB 4.46Å; R23-I292 HydrophobicContact CB-CD1 4.07Å; V249-I292 HydrophobicContact CG2-CG2 4.22Å; N251-I292 HydrophobicContact CB-CG2 4.31Å; N251-I292 WeakPolarHBondContact OD1-CG1 3.02Å; N251-I292 WeakPolarHBondContact OD1-CG2 3.49Å; N251-I292 PolarHBondContact OD1-N 2.85Å; I292-V295 PolarHBondContact O-N 2.94Å; I292-H296 WeakPolarHBondContact O-CB 3.19Å; I292-H296 PolarHBondContact O-N 2.88Å
293	N	90.1	Very high	89.8	Confident	63 Å²	63	60.2 Å²	60.2	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-67.4	-42.6	176.7	-64.4	-14.2	0	0	0	111.9	R23 H291 V295 H296 D297	R23-N293 WeakPolarHBondContact CD-OD1 3.45Å; R23-N293 VanDerWaalsContact NH1-CA 3.26Å; R23-N293 PolarHBondContact NH1-OD1 3Å; H291-N293 VanDerWaalsContact CE1-CG 3.44Å; H291-N293 PolarHBondContact CE1-ND2 3.29Å; H291-N293 VanDerWaalsContact CE1-ND2 3.28Å; H291-N293 WeakPolarHBondContact ND1-CB 3.25Å; H291-N293 VanDerWaalsContact ND1-CG 3.3Å; H291-N293 PolarHBondContact ND1-N 3.23Å; H291-N293 PolarHBondContact ND1-ND2 3.4Å; H291-N293 PolarHBondContact O-N 3.31Å; N293-V295 VanDerWaalsContact C-N 3.31Å; N293-H296 WeakPolarHBondContact O-CB 3.43Å; N293-H296 PolarHBondContact O-N 3.26Å; N293-D297 PolarHBondContact O-N 3.4Å
294	E	91.7	Very high	89.6	Confident	105 Å²	105	58.3 Å²	58.3	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-35	177.1	-62.3	170.7	-135.2	0	0	111.1	H291 L298	H291-E294 WeakPolarHBondContact O-CB 3.07Å; H291-E294 PolarHBondContact O-N 3.18Å; E294-L298 WeakPolarHBondContact O-CB 2.67Å; E294-L298 PolarHBondContact O-N 2.82Å
295	V	90.1	Very high	89.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-66.8	-42.2	176.1	-178.3	0	0	0	0	110.8	V256 I287 K290 H291 I292 N293 L299	V256-V295 HydrophobicContact CG2-CG2 4.25Å; I287-V295 HydrophobicContact CG2-CG1 4.39Å; I287-V295 HydrophobicContact CG2-CG2 3.8Å; K290-V295 HydrophobicContact CB-CG2 3.97Å; H291-V295 PolarHBondContact O-N 3.07Å; I292-V295 PolarHBondContact O-N 2.94Å; N293-V295 VanDerWaalsContact C-N 3.31Å; V295-L299 HydrophobicContact CG1-CD1 3.62Å; V295-L299 WeakPolarHBondContact O-CB 3.25Å; V295-L299 WeakPolarHBondContact O-CD1 3.27Å; V295-L299 PolarHBondContact O-N 3.2Å
296	H	87.3	Confident	89.7	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-53.6	172.8	168.6	-76.6	0	0	0	111.3	R23 A24 C27 I292 N293 L298 L299 Q300	R23-H296 HydrophobicContact CG-CB 4.24Å; R23-H296 PolarHBondContact NE-CD2 3.02Å; R23-H296 PolarHBondContact NH2-CE1 3.41Å; R23-H296 VanDerWaalsContact NH2-CE1 3.29Å; R23-H296 PolarHBondContact NH2-ND1 2.83Å; A24-H296 PolarHBondContact O-CD2 3.49Å; A24-H296 VanDerWaalsContact O-CD2 3.22Å; C27-H296 PolarHBondContact N-NE2 3.46Å; C27-H296 PolarHBondContact O-CE1 3.08Å; C27-H296 VanDerWaalsContact O-CE1 3.3Å; C27-H296 PolarHBondContact O-NE2 3.38Å; I292-H296 WeakPolarHBondContact O-CB 3.19Å; I292-H296 PolarHBondContact O-N 2.88Å; N293-H296 WeakPolarHBondContact O-CB 3.43Å; N293-H296 PolarHBondContact O-N 3.26Å; H296-L298 VanDerWaalsContact C-N 3.29Å; H296-L298 PolarHBondContact O-N 3.49Å; H296-L299 PolarHBondContact O-N 2.76Å; H296-Q300 PolarHBondContact CE1-OE1 2.89Å; H296-Q300 VanDerWaalsContact CE1-OE1 3.24Å; H296-Q300 WeakPolarHBondContact O-CB 3.35Å; H296-Q300 PolarHBondContact O-N 2.8Å
297	D	89.5	Confident	89.6	Confident	77 Å²	77	54 Å²	54	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-65	-37.2	-176	-58.5	-16.4	0	0	0	110.9	R23 N293 Q300 E301	R23-D297 IonicContact NH2-OD1 2.75Å; N293-D297 PolarHBondContact O-N 3.4Å; D297-Q300 PolarHBondContact O-N 3.29Å; D297-E301 PolarHBondContact O-N 2.69Å
298	L	90.5	Very high	89.6	Confident	32 Å²	32	54.1 Å²	54.1	17%	0.168	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-50.2	173.3	176.2	65.4	0	0	0	111.9	I285 I287 E294 H296 Q300 E301 M302	I285-L298 HydrophobicContact CD1-CD1 3.81Å; I285-L298 HydrophobicContact CD1-CD2 4.31Å; I285-L298 HydrophobicContact CG2-CD2 4.08Å; I287-L298 HydrophobicContact CD1-CD2 3.73Å; E294-L298 WeakPolarHBondContact O-CB 2.67Å; E294-L298 PolarHBondContact O-N 2.82Å; H296-L298 VanDerWaalsContact C-N 3.29Å; H296-L298 PolarHBondContact O-N 3.49Å; L298-Q300 VanDerWaalsContact C-N 3.29Å; L298-Q300 PolarHBondContact O-N 2.91Å; L298-E301 PolarHBondContact O-N 3.36Å; L298-M302 HydrophobicContact CD1-SD 4.11Å; L298-M302 HydrophobicContact CG-SD 3.88Å; L298-M302 VanDerWaalsContact O-CG 3.24Å; L298-M302 WeakPolarHBondContact O-CG 3.47Å; L298-M302 PolarHBondContact O-N 3.02Å
299	L	88.1	Confident	89.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-71.7	-26.3	-175.7	-82.3	148.8	0	0	0	112.7	V25 D26 K239 L245 I282 V295 H296 E301 M302 L306 F308	V25-L299 HydrophobicContact CG1-CB 4.1Å; V25-L299 HydrophobicContact CG1-CD1 3.32Å; V25-L299 HydrophobicContact CG1-CD2 4.17Å; V25-L299 HydrophobicContact CG1-CG 4.03Å; V25-L299 WeakPolarHBondContact O-CB 3.38Å; D26-L299 HydrophobicContact CB-CB 4.27Å; K239-L299 WeakPolarHBondContact CE-O 3.15Å; K239-L299 PolarHBondContact NZ-O 3.23Å; L245-L299 HydrophobicContact CD1-CD2 4.01Å; I282-L299 HydrophobicContact CD1-CD1 3.6Å; I282-L299 HydrophobicContact CD1-CD2 4.15Å; I282-L299 HydrophobicContact CD1-CG 4.16Å; I282-L299 HydrophobicContact CG2-CD2 4.24Å; V295-L299 HydrophobicContact CG1-CD1 3.62Å; V295-L299 WeakPolarHBondContact O-CB 3.25Å; V295-L299 WeakPolarHBondContact O-CD1 3.27Å; V295-L299 PolarHBondContact O-N 3.2Å; H296-L299 PolarHBondContact O-N 2.76Å; L299-E301 VanDerWaalsContact C-N 3.31Å; L299-E301 PolarHBondContact O-N 2.92Å; L299-M302 HydrophobicContact CD2-SD 4.38Å; L299-M302 PolarHBondContact O-N 2.93Å; L299-L306 HydrophobicContact CD2-CD1 3.66Å; L299-F308 HydrophobicContact CD2-CZ 4.38Å
300	Q	86.2	Confident	89.9	Confident	84 Å²	84	46.1 Å²	46.1	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-38.1	171.7	-171.9	172.6	-8.1	0	0	113	D26 H296 D297 L298	D26-Q300 WeakPolarHBondContact OD1-CA 3.44Å; D26-Q300 WeakPolarHBondContact OD1-CB 3.33Å; D26-Q300 VanDerWaalsContact OD1-CG 3.22Å; D26-Q300 WeakPolarHBondContact OD1-CG 3.45Å; H296-Q300 PolarHBondContact CE1-OE1 2.89Å; H296-Q300 VanDerWaalsContact CE1-OE1 3.24Å; H296-Q300 WeakPolarHBondContact O-CB 3.35Å; H296-Q300 PolarHBondContact O-N 2.8Å; D297-Q300 PolarHBondContact O-N 3.29Å; L298-Q300 VanDerWaalsContact C-N 3.29Å; L298-Q300 PolarHBondContact O-N 2.91Å
301	E	86.9	Confident	89.9	Confident	167 Å²	167	44.7 Å²	44.7	78%	0.78	23%	0.231	S	C	*	.	H	α-helix	trans	-80.3	-18.7	178.5	-64.4	-177.2	173.9	0	0	113.5	D297 L298 L299	D297-E301 PolarHBondContact O-N 2.69Å; L298-E301 PolarHBondContact O-N 3.36Å; L299-E301 VanDerWaalsContact C-N 3.31Å; L299-E301 PolarHBondContact O-N 2.92Å
302	M	88.1	Confident	89.7	Confident	26 Å²	26	42.8 Å²	42.8	13%	0.128	23%	0.226	C	C	.	.			trans	-85	143.4	-176.2	-64.3	173.9	88.8	0	0	112.1	K239 I282 N283 L298 L299 L306	K239-M302 WeakPolarHBondContact CD-O 3.42Å; K239-M302 WeakPolarHBondContact CE-O 3.21Å; K239-M302 PolarHBondContact NZ-O 3.13Å; I282-M302 HydrophobicContact CG2-CE 3.91Å; I282-M302 HydrophobicContact CG2-SD 4.14Å; N283-M302 HydrophobicContact CB-CE 3.62Å; N283-M302 WeakPolarHBondContact ND2-CE 3.32Å; L298-M302 HydrophobicContact CD1-SD 4.11Å; L298-M302 HydrophobicContact CG-SD 3.88Å; L298-M302 VanDerWaalsContact O-CG 3.24Å; L298-M302 WeakPolarHBondContact O-CG 3.47Å; L298-M302 PolarHBondContact O-N 3.02Å; L299-M302 HydrophobicContact CD2-SD 4.38Å; L299-M302 PolarHBondContact O-N 2.93Å; M302-L306 HydrophobicContact CB-CD2 3.81Å; M302-L306 HydrophobicContact CE-CD2 3.88Å; M302-L306 HydrophobicContact SD-CD2 4.37Å
303	Q	87.9	Confident	89.5	Confident	110 Å²	110	43.9 Å²	43.9	51%	0.514	24%	0.235	S	C	.	.			trans	-145.5	158.9	175.8	56.1	170.4	26.9	0	0	110.6
304	G	88.5	Confident	88.6	Confident	31 Å²	31	46.8 Å²	46.8	32%	0.32	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.3	-144.3	-178	0	0	0	0	0	112.2	K239 L306	K239-G304 PolarHBondContact N-O 3.32Å; K239-G304 PolarHBondContact O-N 2.69Å; G304-L306 PolarHBondContact O-N 2.83Å
305	T	90.3	Very high	87.3	Confident	65 Å²	65	49 Å²	49	40%	0.399	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	119.4	-176.2	-50.5	0	0	0	0	110.8	R236 Q238 N283	R236-T305 HydrophobicContact CB-CG2 4.21Å; Q238-T305 PolarHBondContact NE2-OG1 3.17Å; Q238-T305 PolarHBondContact OE1-OG1 3.49Å; Q238-T305 VanDerWaalsContact OE1-OG1 3.07Å; N283-T305 PolarHBondContact ND2-O 3.1Å
306	L	90.9	Very high	85.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.9	172.5	-58.7	-173.8	0	0	0	109.5	R236 L237 K239 L245 N283 L299 M302 G304 F308	R236-L306 CarbonylContact C-O 3.58Å; R236-L306 VanDerWaalsContact CA-O 3.31Å; R236-L306 WeakPolarHBondContact CA-O 3.09Å; L237-L306 PolarHBondContact N-O 3.38Å; L237-L306 PolarHBondContact O-N 2.92Å; K239-L306 HydrophobicContact CB-CD1 3.83Å; K239-L306 HydrophobicContact CB-CG 3.99Å; K239-L306 HydrophobicContact CD-CD1 3.68Å; K239-L306 HydrophobicContact CD-CG 4.47Å; K239-L306 HydrophobicContact CG-CD1 4.4Å; L245-L306 HydrophobicContact CD1-CD1 3.72Å; L245-L306 HydrophobicContact CD2-CD1 4.22Å; L245-L306 HydrophobicContact CG-CD1 4.42Å; N283-L306 WeakPolarHBondContact OD1-CA 3.29Å; L299-L306 HydrophobicContact CD2-CD1 3.66Å; M302-L306 HydrophobicContact CB-CD2 3.81Å; M302-L306 HydrophobicContact CE-CD2 3.88Å; M302-L306 HydrophobicContact SD-CD2 4.37Å; G304-L306 PolarHBondContact O-N 2.83Å; L306-F308 HydrophobicContact CB-CD2 4.16Å; L306-F308 HydrophobicContact CB-CE2 3.51Å; L306-F308 HydrophobicContact CB-CZ 4.23Å; L306-F308 HydrophobicContact CD1-CE2 4.05Å; L306-F308 HydrophobicContact CD1-CZ 4.04Å; L306-F308 HydrophobicContact CG-CE2 4.47Å
307	T	91.6	Very high	84.4	Confident	38 Å²	38	62.6 Å²	62.6	23%	0.233	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.4	176.2	-54	0	0	0	0	108.1	L234 V235 R236 I282 N283	L234-T307 HydrophobicContact CD1-CG2 3.56Å; L234-T307 HydrophobicContact CD2-CG2 4.43Å; L234-T307 HydrophobicContact CG-CG2 4.02Å; V235-T307 CarbonylContact O-C 3.53Å; V235-T307 WeakPolarHBondContact O-CA 3.32Å; R236-T307 HydrophobicContact CG-CG2 4.21Å; I282-T307 CarbonylContact C-O 3.59Å; I282-T307 WeakPolarHBondContact CA-O 3.45Å; N283-T307 PolarHBondContact N-O 2.8Å; N283-T307 PolarHBondContact OD1-N 2.91Å
308	F	92.8	Very high	82.9	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.009	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.1	177.9	-65.2	-104.6	0	0	0	110	L234 V235 L237 L245 I279 E281 I282 L299 L306 L310	L234-F308 CarbonylContact C-O 3.52Å; L234-F308 WeakPolarHBondContact CA-O 3.14Å; V235-F308 HydrophobicContact CG2-CB 3.64Å; V235-F308 HydrophobicContact CG2-CD2 4.33Å; V235-F308 HydrophobicContact CG2-CG 4.3Å; V235-F308 PolarHBondContact N-O 3.47Å; V235-F308 PolarHBondContact O-N 2.99Å; L237-F308 HydrophobicContact CB-CD2 4.46Å; L237-F308 HydrophobicContact CB-CE2 4.07Å; L237-F308 HydrophobicContact CD1-CD2 4.17Å; L237-F308 HydrophobicContact CD1-CE2 3.9Å; L245-F308 HydrophobicContact CD1-CZ 4.27Å; I279-F308 HydrophobicContact CG2-CD1 4.18Å; E281-F308 WeakPolarHBondContact O-CA 3.37Å; I282-F308 HydrophobicContact CD1-CD1 4.03Å; I282-F308 HydrophobicContact CD1-CE1 3.6Å; I282-F308 HydrophobicContact CD1-CZ 4.44Å; I282-F308 HydrophobicContact CG1-CD1 3.64Å; I282-F308 HydrophobicContact CG1-CE1 3.7Å; I282-F308 HydrophobicContact CG1-CG 4.45Å; I282-F308 HydrophobicContact CG2-CE1 4.36Å; I282-F308 HydrophobicContact CG2-CZ 4.45Å; L299-F308 HydrophobicContact CD2-CZ 4.38Å; L306-F308 HydrophobicContact CB-CD2 4.16Å; L306-F308 HydrophobicContact CB-CE2 3.51Å; L306-F308 HydrophobicContact CB-CZ 4.23Å; L306-F308 HydrophobicContact CD1-CE2 4.05Å; L306-F308 HydrophobicContact CD1-CZ 4.04Å; L306-F308 HydrophobicContact CG-CE2 4.47Å; F308-L310 HydrophobicContact CB-CD1 4.36Å; F308-L310 HydrophobicContact CB-CD2 3.88Å; F308-L310 HydrophobicContact CB-CG 3.98Å; F308-L310 HydrophobicContact CD1-CD2 4.37Å
309	L	92	Very high	81.3	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.068	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	117.8	165.8	-171.1	68.9	0	0	0	108.1	Y227 V232 L234 L280 E281	Y227-L309 HydrophobicContact CD2-CD2 4.4Å; Y227-L309 HydrophobicContact CE2-CD2 4.24Å; V232-L309 HydrophobicContact CB-CD1 3.98Å; V232-L309 HydrophobicContact CB-CG 4.41Å; V232-L309 HydrophobicContact CG2-CD1 3.62Å; V232-L309 HydrophobicContact CG2-CG 4.48Å; L234-L309 HydrophobicContact CD1-CD1 4.06Å; L280-L309 HydrophobicContact CB-CB 4.37Å; L280-L309 HydrophobicContact CB-CD2 4.23Å; L280-L309 HydrophobicContact CB-CG 4.32Å; L280-L309 WeakPolarHBondContact CB-O 3.36Å; L280-L309 HydrophobicContact CD1-CD2 4.28Å; L280-L309 HydrophobicContact CD1-CG 4.35Å; L280-L309 PolarHBondContact N-O 2.8Å; E281-L309 HydrophobicContact CB-CB 3.91Å; E281-L309 HydrophobicContact CB-CD2 4.47Å; E281-L309 HydrophobicContact CG-CB 4.43Å; E281-L309 HydrophobicContact CG-CD2 4.11Å; E281-L309 PolarHBondContact N-O 2.79Å; E281-L309 PolarHBondContact O-N 2.9Å
310	L	92.2	Very high	79.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.9	-170.1	-53.9	173.9	0	0	0	112	V232 K233 V235 L273 E278 I279 F308	V232-L310 CarbonylContact C-O 3.53Å; V232-L310 WeakPolarHBondContact CA-O 3.49Å; V232-L310 WeakPolarHBondContact CB-O 3.24Å; K233-L310 HydrophobicContact CB-CB 4.41Å; K233-L310 PolarHBondContact N-O 3.28Å; K233-L310 PolarHBondContact O-N 3.44Å; V235-L310 HydrophobicContact CG1-CD1 4.26Å; V235-L310 HydrophobicContact CG2-CD1 3.55Å; V235-L310 HydrophobicContact CG2-CG 4.3Å; L273-L310 HydrophobicContact CD2-CD1 3.49Å; L273-L310 VanDerWaalsContact CD2-CD1 3.49Å; L273-L310 HydrophobicContact CD2-CD2 4.31Å; E278-L310 CarbonylContact O-C 3.53Å; E278-L310 WeakPolarHBondContact O-CA 3.32Å; I279-L310 HydrophobicContact CB-CD2 4.12Å; I279-L310 HydrophobicContact CG1-CD2 3.74Å; I279-L310 HydrophobicContact CG2-CD2 4.22Å; F308-L310 HydrophobicContact CB-CD1 4.36Å; F308-L310 HydrophobicContact CB-CD2 3.88Å; F308-L310 HydrophobicContact CB-CG 3.98Å; F308-L310 HydrophobicContact CD1-CD2 4.37Å
311	I	90.8	Very high	78.4	Confident	25 Å²	25	75.2 Å²	75.2	13%	0.128	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	115.6	158.1	-58	157.5	0	0	0	106.4	E230 V232 D277 E278 L280	E230-I311 WeakPolarHBondContact OE2-CD1 3.37Å; V232-I311 HydrophobicContact CG1-CG1 4.39Å; D277-I311 WeakPolarHBondContact CA-O 3.45Å; E278-I311 HydrophobicContact CB-CB 4.16Å; E278-I311 HydrophobicContact CB-CD1 4.44Å; E278-I311 HydrophobicContact CG-CD1 4.38Å; E278-I311 PolarHBondContact N-O 3.43Å; E278-I311 PolarHBondContact O-N 3.22Å; L280-I311 HydrophobicContact CD1-CD1 3.98Å; L280-I311 HydrophobicContact CD1-CG1 3.82Å; L280-I311 HydrophobicContact CD2-CD1 3.83Å; L280-I311 HydrophobicContact CD2-CG1 4.44Å; L280-I311 HydrophobicContact CG-CD1 4.09Å; L280-I311 HydrophobicContact CG-CG1 4.15Å
312	P	89.1	Confident	76.9	Confident	48 Å²	48	78.5 Å²	78.5	31%	0.312	43%	0.431	S	S	.	.			trans	-66.7	141.5	-175.8	27.9	-32.6	0	0	0	110.8	T231 D277	T231-P312 WeakPolarHBondContact O-CD 3.09Å; D277-P312 WeakPolarHBondContact OD1-CA 3.18Å
313	S	84.8	Confident	75.6	Confident	34 Å²	34	83.4 Å²	83.4	24%	0.238	45%	0.454	C	S	.	.			trans	-64.4	136.6	176.8	-161.3	0	0	0	0	112.2	G276 D277 H315	G276-S313 VanDerWaalsContact C-CB 3.46Å; G276-S313 WeakPolarHBondContact O-CB 3.48Å; D277-S313 PolarHBondContact OD1-N 2.99Å; S313-H315 PolarHBondContact O-N 2.93Å; S313-H315 VanDerWaalsContact O-N 3.16Å; S313-H315 PolarHBondContact OG-CD2 2.74Å
314	S	72.5	Confident	75	Confident	124 Å²	124	83.7 Å²	83.7	87%	0.867	46%	0.463	S	S	*	.			trans	-70.8	-0.5	171.7	-51.8	0	0	0	0	113.7	N316	S314-N316 PolarHBondContact O-N 3.49Å
315	H	63.8	Low	75.1	Confident	152 Å²	152	85.3 Å²	85.3	70%	0.704	47%	0.467	S	S	*	.			trans	-74.1	109.9	-179	-80.5	-60	0	0	0	111.7	S313 K317	S313-H315 PolarHBondContact O-N 2.93Å; S313-H315 VanDerWaalsContact O-N 3.16Å; S313-H315 PolarHBondContact OG-CD2 2.74Å; H315-K317 PolarHBondContact O-N 3.1Å
316	N	56.7	Low	75.2	Confident	166 Å²	166	84.1 Å²	84.1	89%	0.888	46%	0.458	S	S	*	.			trans	-63.2	101.9	166.6	-86.9	-18.5	0	0	0	109.7	S314	S314-N316 PolarHBondContact O-N 3.49Å
317	K	59.5	Low	75.5	Confident	119 Å²	119	87 Å²	87	52%	0.517	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-66.3	133.4	168.3	-75.8	179.2	176.3	172.7	0	109	S274 H315	S274-K317 PolarHBondContact OG-NZ 3.3Å; H315-K317 PolarHBondContact O-N 3.1Å
318	P	57.9	Low	75.7	Confident	102 Å²	102	85.4 Å²	85.4	66%	0.662	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-57.7	148.5	167.4	24.9	-31	0	0	0	109.1
319	A	56.9	Low	75.8	Confident	76 Å²	76	86.7 Å²	86.7	63%	0.628	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-49	140.9	178.4	0	0	0	0	0	110.3	H321	A319-H321 PolarHBondContact O-N 3.43Å; A319-H321 PolarHBondContact O-ND1 3.32Å
320	P	57.7	Low	76	Confident	132 Å²	132	86.1 Å²	86.1	86%	0.857	46%	0.463	S	S	*	.			trans	-54.2	113.3	-176.1	20.5	-31.4	0	0	0	109.4
321	H	55.9	Low	76	Confident	150 Å²	150	87 Å²	87	69%	0.694	47%	0.466	S	S	*	.			trans	-69.2	144.8	173.7	-70.4	46.2	0	0	0	107.3	A319 Q323	A319-H321 PolarHBondContact O-N 3.43Å; A319-H321 PolarHBondContact O-ND1 3.32Å; H321-Q323 PolarHBondContact O-N 2.91Å
322	R	54.9	Low	76.1	Confident	236 Å²	236	87 Å²	87	89%	0.891	47%	0.465	S	S	*	.			trans	-51.4	118.2	174.4	-109.7	179	161.9	162.1	-5.1	108.4	T324	R322-T324 PolarHBondContact O-N 3.06Å
323	Q	60.1	Low	76.3	Confident	129 Å²	129	90.2 Å²	90.2	60%	0.603	48%	0.48	S	S	*	.			trans	-62.8	100	177	-74.6	174.9	-21.1	0	0	108.7	H321	H321-Q323 PolarHBondContact O-N 2.91Å
324	T	76.4	Confident	76.8	Confident	116 Å²	116	89.2 Å²	89.2	71%	0.712	47%	0.471	S	S	*	.			trans	-99.3	106.6	170.7	51.9	0	0	0	0	107	R322 L326	R322-T324 PolarHBondContact O-N 3.06Å; T324-L326 PolarHBondContact O-N 3.24Å
325	V	90.2	Very high	77.9	Confident	65 Å²	65	87 Å²	87	39%	0.394	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-64.2	122.1	173.3	-178.5	0	0	0	0	108.3	H327 H358 V359 I360	V325-H327 PolarHBondContact O-ND1 3.38Å; V325-H358 HydrophobicContact CG1-CB 4.15Å; V325-V359 WeakPolarHBondContact CA-O 3.37Å; V325-I360 HydrophobicContact CG2-CG2 4.36Å
326	L	92.8	Very high	79.3	Confident	40 Å²	40	80.3 Å²	80.3	21%	0.209	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.8	178.2	-177.8	77.4	0	0	0	108.7	T324 V328 V359 E443	T324-L326 PolarHBondContact O-N 3.24Å; L326-V328 HydrophobicContact CD2-CG1 3.82Å; L326-V328 HydrophobicContact CG-CG1 3.83Å; L326-V359 HydrophobicContact CB-CB 4.21Å; L326-V359 PolarHBondContact N-O 3.46Å; L326-V359 WeakPolarHBondContact O-CA 3.15Å; L326-V359 WeakPolarHBondContact O-CB 3.38Å; L326-V359 PolarHBondContact O-N 2.9Å; L326-E443 HydrophobicContact CD1-CG 3.54Å; L326-E443 HydrophobicContact CG-CG 4.37Å
327	H	96	Very high	81.1	Confident	60 Å²	60	75.9 Å²	75.9	28%	0.278	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	125	179.2	-52.8	76.7	0	0	0	108.1	V325 H358 M444 W643	V325-H327 PolarHBondContact O-ND1 3.38Å; H327-H358 AromaticContact CD2-CE1 3.63Å; H327-H358 AromaticContact CD2-ND1 3.1Å; H327-H358 PolarHBondContact CD2-ND1 3.35Å; H327-H358 AromaticContact NE2-ND1 3.86Å; H327-M444 WeakPolarHBondContact CB-O 3.37Å; H327-M444 PolarHBondContact O-N 2.86Å; H327-W643 HydrophobicContact CB-CE3 4.49Å; H327-W643 HydrophobicContact CB-CH2 4.01Å; H327-W643 HydrophobicContact CB-CZ3 3.63Å; H327-W643 AromaticContact CD2-CH2 3.33Å; H327-W643 WeakPolarHBondContact CD2-CH2 3.45Å; H327-W643 AromaticContact CD2-CZ3 3.82Å; H327-W643 AromaticContact CG-CH2 3.81Å; H327-W643 AromaticContact CG-CZ3 3.81Å
328	V	96.2	Very high	82.6	Confident	4 Å²	4	76.6 Å²	76.6	2%	0.024	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	146.6	-178.1	-56.2	0	0	0	0	111.5	L326 I356 L357 V359 Y441 E442	L326-V328 HydrophobicContact CD2-CG1 3.82Å; L326-V328 HydrophobicContact CG-CG1 3.83Å; V328-I356 CarbonylContact O-C 3.6Å; V328-I356 WeakPolarHBondContact O-CA 3.44Å; V328-L357 HydrophobicContact CG2-CB 3.87Å; V328-L357 PolarHBondContact N-O 2.89Å; V328-L357 PolarHBondContact O-N 3.46Å; V328-V359 HydrophobicContact CG1-CG2 4.49Å; V328-V359 HydrophobicContact CG2-CG2 3.85Å; V328-Y441 HydrophobicContact CG2-CD1 3.9Å; V328-Y441 HydrophobicContact CG2-CG 4.27Å; V328-E442 CarbonylContact C-O 3.59Å; V328-E442 VanDerWaalsContact CA-O 3.24Å; V328-E442 WeakPolarHBondContact CA-O 3.5Å
329	R	96	Very high	84.2	Confident	30 Å²	30	71.9 Å²	71.9	11%	0.113	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.7	167	-178	174.4	-77	167.3	-0.6	109.5	Y331 D355 I356 Y441 E442 M444	R329-Y331 HydrophobicContact CG-CD1 4.45Å; R329-Y331 HydrophobicContact CG-CE1 3.93Å; R329-D355 WeakPolarHBondContact CA-O 3.35Å; R329-I356 HydrophobicContact CB-CD1 3.8Å; R329-I356 HydrophobicContact CG-CD1 4.17Å; R329-Y441 WeakPolarHBondContact O-CA 3.48Å; R329-E442 PolarHBondContact N-O 2.9Å; R329-E442 PolarHBondContact O-N 3.41Å; R329-E442 VanDerWaalsContact O-N 3.1Å; R329-M444 HydrophobicContact CB-CE 4.5Å; R329-M444 HydrophobicContact CB-CG 3.64Å; R329-M444 HydrophobicContact CB-SD 3.9Å
330	A	95.7	Very high	85.7	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	135.5	174.2	0	0	0	0	0	111.6	F351 G354 D355 L357 Y441	A330-F351 HydrophobicContact CB-CD2 3.49Å; A330-F351 VanDerWaalsContact CB-CD2 3.49Å; A330-F351 HydrophobicContact CB-CE2 3.53Å; A330-F351 HydrophobicContact CB-CG 4.49Å; A330-G354 PolarHBondContact O-N 2.99Å; A330-D355 PolarHBondContact N-O 3.1Å; A330-L357 HydrophobicContact CB-CD1 4.27Å; A330-Y441 HydrophobicContact CB-CD1 4.27Å; A330-Y441 HydrophobicContact CB-CE1 4.23Å
331	Y	92.9	Very high	87.3	Confident	18 Å²	18	71.7 Å²	71.7	7%	0.071	36%	0.361	C	S	.	.			trans	-110.9	13.9	176.3	-69.5	-45.5	0	0	0	115.2	R329 L439 T440 E442 H612	R329-Y331 HydrophobicContact CG-CD1 4.45Å; R329-Y331 HydrophobicContact CG-CE1 3.93Å; Y331-L439 HydrophobicContact CD2-CD2 4.33Å; Y331-T440 PolarHBondContact N-O 2.95Å; Y331-E442 HydrophobicContact CD2-CB 4.28Å; Y331-E442 HydrophobicContact CE2-CB 3.42Å; Y331-E442 VanDerWaalsContact CE2-CB 3.42Å; Y331-E442 HydrophobicContact CE2-CG 4.43Å; Y331-E442 PolarHBondContact OH-OE2 3.25Å; Y331-H612 HydrophobicContact CD1-CB 3.55Å; Y331-H612 HydrophobicContact CD2-CB 4.44Å; Y331-H612 HydrophobicContact CE1-CB 3.53Å; Y331-H612 HydrophobicContact CE2-CB 4.36Å; Y331-H612 HydrophobicContact CG-CB 4.06Å; Y331-H612 PolarHBondContact OH-O 2.97Å
332	F	92.6	Very high	88.9	Confident	25 Å²	25	65 Å²	65	11%	0.11	33%	0.331	C	S	.	.	S	Bend	trans	-145.2	161.4	175.9	66.1	-77.2	0	0	0	109.4	F351 Q391 T440 Y441	F332-F351 HydrophobicContact CD2-CE2 4.3Å; F332-F351 HydrophobicContact CE1-CE2 4.19Å; F332-F351 HydrophobicContact CE1-CZ 4.24Å; F332-F351 AromaticContact CE2-CE2 3.93Å; F332-F351 HydrophobicContact CE2-CE2 3.93Å; F332-F351 AromaticContact CE2-CZ 3.76Å; F332-F351 HydrophobicContact CE2-CZ 3.76Å; F332-F351 AromaticContact CZ-CE2 3.88Å; F332-F351 HydrophobicContact CZ-CE2 3.88Å; F332-F351 AromaticContact CZ-CZ 3.58Å; F332-F351 HydrophobicContact CZ-CZ 3.58Å; F332-F351 WeakPolarHBondContact O-CE2 3.36Å; F332-Q391 HydrophobicContact CD1-CG 4.36Å; F332-Q391 HydrophobicContact CE1-CG 3.84Å; F332-Q391 VanDerWaalsContact CE2-CD 3.49Å; F332-Q391 HydrophobicContact CE2-CG 4.02Å; F332-Q391 HydrophobicContact CZ-CB 4.41Å; F332-Q391 HydrophobicContact CZ-CG 3.63Å; F332-T440 WeakPolarHBondContact CD1-O 3.17Å; F332-T440 WeakPolarHBondContact CE1-O 3.41Å; F332-Y441 HydrophobicContact CE1-CD1 4.28Å; F332-Y441 AromaticContact CE1-CE1 3.74Å; F332-Y441 HydrophobicContact CE1-CE1 3.74Å; F332-Y441 HydrophobicContact CE1-CE2 4.04Å; F332-Y441 AromaticContact CE1-CZ 3.64Å; F332-Y441 HydrophobicContact CZ-CE1 4.06Å; F332-Y441 HydrophobicContact CZ-CE2 4.2Å; F332-Y441 AromaticContact CZ-CZ 3.64Å; F332-Y441 WeakPolarHBondContact CZ-OH 3.49Å
333	D	93.5	Very high	90.6	Very high	116 Å²	116	54.6 Å²	54.6	62%	0.62	29%	0.294	S	S	*	.			trans	-88.4	141.2	174	-51.3	-48.5	0	0	0	109.7	Q352 K353	D333-Q352 WeakPolarHBondContact OD1-CA 3.26Å; D333-K353 WeakPolarHBondContact OD1-CB 3.49Å; D333-K353 PolarHBondContact OD1-N 3.21Å
334	Y	95	Very high	92	Very high	14 Å²	14	48.5 Å²	48.5	6%	0.055	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-133.7	120.3	177.3	-179.9	-116.1	0	0	0	111	P336 D339 L349 S350 F351 W367 P386	Y334-P336 HydrophobicContact CE1-CB 3.95Å; Y334-P336 HydrophobicContact CE1-CG 4.49Å; Y334-D339 HydrophobicContact CE2-CB 4.21Å; Y334-D339 VanDerWaalsContact CE2-OD2 3.3Å; Y334-D339 WeakPolarHBondContact CE2-OD2 3.49Å; Y334-D339 PolarHBondContact OH-OD2 2.73Å; Y334-L349 VanDerWaalsContact CD1-O 3.24Å; Y334-L349 WeakPolarHBondContact CD1-O 3.28Å; Y334-S350 WeakPolarHBondContact O-CA 3.49Å; Y334-F351 VanDerWaalsContact CB-CE1 3.5Å; Y334-F351 HydrophobicContact CD1-CD1 4.05Å; Y334-F351 AromaticContact CD1-CE1 3.56Å; Y334-F351 HydrophobicContact CD1-CE1 3.56Å; Y334-F351 HydrophobicContact CD1-CZ 4.18Å; Y334-F351 HydrophobicContact CG-CD1 4.48Å; Y334-F351 AromaticContact CG-CE1 3.85Å; Y334-F351 HydrophobicContact CG-CE1 3.85Å; Y334-F351 AromaticContact CG-CZ 3.99Å; Y334-F351 HydrophobicContact CG-CZ 3.99Å; Y334-F351 PolarHBondContact N-O 3.2Å; Y334-F351 PolarHBondContact O-N 3.12Å; Y334-F351 VanDerWaalsContact O-N 3.09Å; Y334-W367 WeakPolarHBondContact OH-CH2 3.45Å; Y334-W367 VanDerWaalsContact OH-CZ3 3.28Å; Y334-W367 WeakPolarHBondContact OH-CZ3 3.45Å; Y334-P386 HydrophobicContact CD1-CG 4.23Å; Y334-P386 HydrophobicContact CD2-CG 3.7Å; Y334-P386 HydrophobicContact CE1-CG 4.05Å; Y334-P386 HydrophobicContact CE2-CG 3.51Å; Y334-P386 HydrophobicContact CG-CG 4.07Å
335	D	95.3	Very high	92.6	Very high	77 Å²	77	49.5 Å²	49.5	41%	0.412	26%	0.256	S	S	.	.			trans	-113.3	113.7	169.2	-168.5	-24.3	0	0	0	109.1	S337 D338	D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact OD1-CB 3.29Å; D335-S337 WeakPolarHBondContact OD1-CB 3.5Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.37Å; D335-S337 PolarHBondContact OD2-OG 2.77Å; D335-D338 PolarHBondContact O-N 3.16Å
336	P	94.2	Very high	92.5	Very high	12 Å²	12	50.3 Å²	50.3	8%	0.078	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-67.9	-20.7	178.4	28.2	-34.5	0	0	0	113.2	Y334 D338 D339	Y334-P336 HydrophobicContact CE1-CB 3.95Å; Y334-P336 HydrophobicContact CE1-CG 4.49Å; P336-D338 VanDerWaalsContact C-N 3.31Å; P336-D338 PolarHBondContact O-N 3.23Å; P336-D339 PolarHBondContact O-N 3.26Å
337	S	92.9	Very high	92.5	Very high	73 Å²	73	49 Å²	49	51%	0.51	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-69	-32.6	179	71.1	0	0	0	0	112.4	D335 D339	D335-S337 PolarHBondContact O-N 3.16Å; D335-S337 VanDerWaalsContact OD1-CB 3.29Å; D335-S337 WeakPolarHBondContact OD1-CB 3.5Å; D335-S337 PolarHBondContact OD1-N 3.28Å; D335-S337 PolarHBondContact OD1-OG 3.37Å; D335-S337 PolarHBondContact OD2-OG 2.77Å; S337-D339 VanDerWaalsContact C-N 3.29Å
338	D	91.6	Very high	92.3	Very high	134 Å²	134	46.9 Å²	46.9	72%	0.717	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-81.4	-7	175.5	-74.2	-24.5	0	0	0	113	D335 P336 P340	D335-D338 PolarHBondContact O-N 3.16Å; P336-D338 VanDerWaalsContact C-N 3.31Å; P336-D338 PolarHBondContact O-N 3.23Å; D338-P340 VanDerWaalsContact O-CD 3.31Å; D338-P340 WeakPolarHBondContact O-CD 3.39Å
339	D	90.7	Very high	92.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.011	24%	0.244	C	C	.	.			trans	-92.2	115.7	-175.8	-156.5	-22.3	0	0	0	112	Y334 P336 S337 F341 V342 W367 R394	Y334-D339 HydrophobicContact CE2-CB 4.21Å; Y334-D339 VanDerWaalsContact CE2-OD2 3.3Å; Y334-D339 WeakPolarHBondContact CE2-OD2 3.49Å; Y334-D339 PolarHBondContact OH-OD2 2.73Å; P336-D339 PolarHBondContact O-N 3.26Å; S337-D339 VanDerWaalsContact C-N 3.29Å; D339-F341 VanDerWaalsContact C-N 3.3Å; D339-F341 WeakPolarHBondContact OD1-CB 3.44Å; D339-F341 PolarHBondContact OD1-N 2.94Å; D339-V342 HydrophobicContact CB-CB 4.27Å; D339-V342 HydrophobicContact CB-CG1 4.3Å; D339-V342 WeakPolarHBondContact O-CG1 3.33Å; D339-W367 WeakPolarHBondContact OD2-CH2 3.49Å; D339-R394 IonicContact OD1-CZ 2.91Å; D339-R394 IonicContact OD1-NH1 3.69Å; D339-R394 IonicContact OD1-NH2 3.71Å; D339-R394 PolarHBondContact OD1-NH2 3.46Å; D339-R394 IonicContact OD2-CZ 2.63Å; D339-R394 IonicContact OD2-NH1 3.48Å; D339-R394 PolarHBondContact OD2-NH1 3.21Å; D339-R394 IonicContact OD2-NH2 3.77Å; D339-R394 PolarHBondContact OD2-NH2 3.13Å
340	P	89.4	Confident	92.3	Very high	91 Å²	91	48 Å²	48	59%	0.591	26%	0.256	S	S	*	.	S	Bend	trans	-78.8	-13.6	173	32	-34.7	0	0	0	113.1	D338	D338-P340 VanDerWaalsContact O-CD 3.31Å; D338-P340 WeakPolarHBondContact O-CD 3.39Å
341	F	90.3	Very high	92.3	Very high	113 Å²	113	48.3 Å²	48.3	50%	0.496	26%	0.257	S	S	.	.	S	Bend	trans	-97.3	-7.4	-174.9	-57.6	-73.8	0	0	0	113.7	D339 P343 W367 F390	D339-F341 VanDerWaalsContact C-N 3.3Å; D339-F341 WeakPolarHBondContact OD1-CB 3.44Å; D339-F341 PolarHBondContact OD1-N 2.94Å; F341-P343 WeakPolarHBondContact O-CD 3.28Å; F341-W367 VanDerWaalsContact C-CZ2 3.5Å; F341-W367 HydrophobicContact CB-CZ2 4.22Å; F341-W367 WeakPolarHBondContact O-CZ2 3.4Å; F341-F390 HydrophobicContact CB-CZ 4.24Å
342	V	91	Very high	92.3	Very high	11 Å²	11	54.1 Å²	54.1	7%	0.067	29%	0.285	C	S	.	.			trans	-63	125.3	177.1	66.8	0	0	0	0	109.7	D339 C344 R345 W367	D339-V342 HydrophobicContact CB-CB 4.27Å; D339-V342 HydrophobicContact CB-CG1 4.3Å; D339-V342 WeakPolarHBondContact O-CG1 3.33Å; V342-C344 VanDerWaalsContact C-N 3.35Å; V342-C344 PolarHBondContact O-N 3.43Å; V342-R345 HydrophobicContact CG1-CB 4.38Å; V342-R345 HydrophobicContact CG1-CG 3.46Å; V342-R345 VanDerWaalsContact CG1-CG 3.46Å; V342-W367 VanDerWaalsContact CA-CZ2 3.5Å; V342-W367 HydrophobicContact CB-CH2 3.8Å; V342-W367 HydrophobicContact CB-CZ2 4.28Å; V342-W367 HydrophobicContact CB-CZ3 4.22Å; V342-W367 HydrophobicContact CG2-CH2 4.11Å; V342-W367 HydrophobicContact CG2-CZ3 4.01Å
343	P	90.3	Very high	92.3	Very high	16 Å²	16	56.2 Å²	56.2	10%	0.104	29%	0.294	C	S	.	.	S	Bend	trans	-62	-43.1	-173.4	-25.7	33.6	0	0	0	112.4	E22 F341 W367	E22-P343 WeakPolarHBondContact CA-O 3.46Å; E22-P343 HydrophobicContact CB-CB 4.3Å; E22-P343 WeakPolarHBondContact CB-O 3.49Å; E22-P343 HydrophobicContact CG-CB 4.04Å; E22-P343 PolarHBondContact N-O 3.04Å; E22-P343 VanDerWaalsContact O-O 3.07Å; F341-P343 WeakPolarHBondContact O-CD 3.28Å; P343-W367 VanDerWaalsContact CD-CE2 3.4Å; P343-W367 VanDerWaalsContact CG-CD1 3.46Å; P343-W367 HydrophobicContact CG-CD2 4.17Å; P343-W367 HydrophobicContact CG-CG 3.84Å
344	C	89.4	Confident	92.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.283	C	S	.	.			trans	-134.8	112.4	179	174.4	0	0	0	0	108.3	E22 A24 T248 V342 E346 L347 G348	E22-C344 HydrophobicContact CB-CB 4.35Å; A24-C344 PolarHBondContact N-SG 3.03Å; T248-C344 HydrophobicContact CG2-CB 4.2Å; V342-C344 VanDerWaalsContact C-N 3.35Å; V342-C344 PolarHBondContact O-N 3.43Å; C344-E346 VanDerWaalsContact C-N 3.3Å; C344-E346 PolarHBondContact O-N 2.77Å; C344-E346 PolarHBondContact SG-OE2 2.71Å; C344-L347 HydrophobicContact CB-CB 4.44Å; C344-L347 HydrophobicContact CB-CD1 4.25Å; C344-L347 PolarHBondContact O-N 2.62Å; C344-G348 PolarHBondContact O-N 3.01Å
345	R	89.1	Confident	92.1	Very high	137 Å²	137	54 Å²	54	52%	0.517	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.5	-33.9	-174.6	-80.1	-178.8	168	-178.5	-7.6	112.4	V342 L347 G348	V342-R345 HydrophobicContact CG1-CB 4.38Å; V342-R345 HydrophobicContact CG1-CG 3.46Å; V342-R345 VanDerWaalsContact CG1-CG 3.46Å; R345-L347 PolarHBondContact O-N 3.25Å; R345-G348 PolarHBondContact O-N 2.9Å; R345-G348 VanDerWaalsContact O-N 3.1Å
346	E	87.6	Confident	92.2	Very high	82 Å²	82	51 Å²	51	38%	0.383	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.2	-25.2	-179.7	-56.9	81.6	178.8	0	0	112.3	C27 C344	C27-E346 HydrophobicContact CB-CB 4.04Å; C27-E346 HydrophobicContact CB-CG 4.31Å; C344-E346 VanDerWaalsContact C-N 3.3Å; C344-E346 PolarHBondContact O-N 2.77Å; C344-E346 PolarHBondContact SG-OE2 2.71Å
347	L	92	Very high	92.3	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.063	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-95.9	-3.2	175.8	-68.2	175.4	0	0	0	113.2	T248 V262 C344 R345 L349 L381 G383 L384	T248-L347 HydrophobicContact CG2-CD1 3.35Å; V262-L347 HydrophobicContact CG1-CD2 4.42Å; V262-L347 HydrophobicContact CG2-CD1 3.6Å; V262-L347 HydrophobicContact CG2-CD2 4.39Å; C344-L347 HydrophobicContact CB-CB 4.44Å; C344-L347 HydrophobicContact CB-CD1 4.25Å; C344-L347 PolarHBondContact O-N 2.62Å; R345-L347 PolarHBondContact O-N 3.25Å; L347-L349 PolarHBondContact O-N 3.46Å; L347-L381 HydrophobicContact CD2-CD1 4.3Å; L347-G383 CarbonylContact O-C 3.55Å; L347-G383 WeakPolarHBondContact O-CA 3.27Å; L347-L384 HydrophobicContact CB-CD1 4.05Å; L347-L384 HydrophobicContact CB-CG 4Å; L347-L384 PolarHBondContact O-N 3.39Å
348	G	93.6	Very high	92.4	Very high	16 Å²	16	48 Å²	48	17%	0.165	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-62	126.3	-178.9	0	0	0	0	0	111.7	C344 R345	C344-G348 PolarHBondContact O-N 3.01Å; R345-G348 PolarHBondContact O-N 2.9Å; R345-G348 VanDerWaalsContact O-N 3.1Å
349	L	95	Very high	92.6	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.026	22%	0.219	C	C	.	.			trans	-96.6	112.8	175.9	-179.3	63	0	0	0	109.9	Y334 L347 L357 A370 R372 Q379 L384 I385	Y334-L349 VanDerWaalsContact CD1-O 3.24Å; Y334-L349 WeakPolarHBondContact CD1-O 3.28Å; L347-L349 PolarHBondContact O-N 3.46Å; L349-L357 HydrophobicContact CD2-CD2 4.41Å; L349-A370 HydrophobicContact CD2-CB 4.36Å; L349-R372 HydrophobicContact CD1-CB 4.28Å; L349-R372 HydrophobicContact CD2-CB 4.32Å; L349-Q379 VanDerWaalsContact CD1-OE1 3.31Å; L349-L384 PolarHBondContact N-O 2.98Å; L349-I385 HydrophobicContact CB-CG2 3.79Å; L349-I385 HydrophobicContact CD2-CG2 3.84Å; L349-I385 HydrophobicContact CG-CG2 4.13Å
350	S	95.4	Very high	92.7	Very high	54 Å²	54	43.2 Å²	43.2	38%	0.378	23%	0.227	S	C	.	.			trans	-78.2	145.5	173.1	63.5	0	0	0	0	111.8	Y334 R372	Y334-S350 WeakPolarHBondContact O-CA 3.49Å; S350-R372 PolarHBondContact O-NH1 3.22Å
351	F	95.7	Very high	92.8	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.026	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-154.3	159	175.4	58.9	-96.9	0	0	0	111.4	A330 F332 Y334 D355 L357 I385 Y441	A330-F351 HydrophobicContact CB-CD2 3.49Å; A330-F351 VanDerWaalsContact CB-CD2 3.49Å; A330-F351 HydrophobicContact CB-CE2 3.53Å; A330-F351 HydrophobicContact CB-CG 4.49Å; F332-F351 HydrophobicContact CD2-CE2 4.3Å; F332-F351 HydrophobicContact CE1-CE2 4.19Å; F332-F351 HydrophobicContact CE1-CZ 4.24Å; F332-F351 AromaticContact CE2-CE2 3.93Å; F332-F351 HydrophobicContact CE2-CE2 3.93Å; F332-F351 AromaticContact CE2-CZ 3.76Å; F332-F351 HydrophobicContact CE2-CZ 3.76Å; F332-F351 AromaticContact CZ-CE2 3.88Å; F332-F351 HydrophobicContact CZ-CE2 3.88Å; F332-F351 AromaticContact CZ-CZ 3.58Å; F332-F351 HydrophobicContact CZ-CZ 3.58Å; F332-F351 WeakPolarHBondContact O-CE2 3.36Å; Y334-F351 VanDerWaalsContact CB-CE1 3.5Å; Y334-F351 HydrophobicContact CD1-CD1 4.05Å; Y334-F351 AromaticContact CD1-CE1 3.56Å; Y334-F351 HydrophobicContact CD1-CE1 3.56Å; Y334-F351 HydrophobicContact CD1-CZ 4.18Å; Y334-F351 HydrophobicContact CG-CD1 4.48Å; Y334-F351 AromaticContact CG-CE1 3.85Å; Y334-F351 HydrophobicContact CG-CE1 3.85Å; Y334-F351 AromaticContact CG-CZ 3.99Å; Y334-F351 HydrophobicContact CG-CZ 3.99Å; Y334-F351 PolarHBondContact N-O 3.2Å; Y334-F351 PolarHBondContact O-N 3.12Å; Y334-F351 VanDerWaalsContact O-N 3.09Å; F351-D355 WeakPolarHBondContact CA-OD2 3.16Å; F351-D355 HydrophobicContact CB-CB 4.22Å; F351-D355 WeakPolarHBondContact CB-OD2 3.41Å; F351-L357 HydrophobicContact CB-CD2 4.03Å; F351-L357 HydrophobicContact CD1-CD1 3.82Å; F351-L357 HydrophobicContact CD1-CD2 4.3Å; F351-L357 HydrophobicContact CD2-CD1 4.29Å; F351-L357 HydrophobicContact CE1-CD1 3.92Å; F351-L357 HydrophobicContact CE2-CD1 4.4Å; F351-L357 HydrophobicContact CG-CD1 4Å; F351-L357 HydrophobicContact CG-CD2 4.25Å; F351-L357 HydrophobicContact CZ-CD1 4.21Å; F351-I385 HydrophobicContact CD1-CG2 3.95Å; F351-I385 HydrophobicContact CE1-CB 3.93Å; F351-I385 HydrophobicContact CE1-CG2 3.68Å; F351-Y441 HydrophobicContact CE2-CE1 4.28Å; F351-Y441 AromaticContact CZ-CE1 3.95Å; F351-Y441 HydrophobicContact CZ-CE1 3.95Å; F351-Y441 WeakPolarHBondContact CZ-OH 3.44Å
352	Q	94.1	Very high	92.9	Very high	139 Å²	139	38.2 Å²	38.2	65%	0.65	20%	0.198	S	C	*	.			trans	-107	160.5	176.4	-62.1	-178.6	19.1	0	0	110.8	D333 G354 D355	D333-Q352 WeakPolarHBondContact OD1-CA 3.26Å; Q352-G354 PolarHBondContact O-N 3.31Å; Q352-D355 PolarHBondContact N-OD2 3.36Å; Q352-D355 WeakPolarHBondContact O-CB 3.49Å; Q352-D355 PolarHBondContact O-N 3.45Å; Q352-D355 VanDerWaalsContact O-N 3.11Å
353	K	91.9	Very high	92.8	Very high	70 Å²	70	43.7 Å²	43.7	30%	0.304	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	122.1	170.4	-178.7	179.6	-169.1	-179.6	0	110.2	D333 S611	D333-K353 WeakPolarHBondContact OD1-CB 3.49Å; D333-K353 PolarHBondContact OD1-N 3.21Å; K353-S611 VanDerWaalsContact CE-OG 3.3Å; K353-S611 WeakPolarHBondContact CE-OG 3.49Å; K353-S611 PolarHBondContact NZ-OG 2.87Å
354	G	91.3	Very high	92.8	Very high	37 Å²	37	44.7 Å²	44.7	38%	0.381	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	107.6	-18.3	-179.9	0	0	0	0	0	113.9	A330 Q352	A330-G354 PolarHBondContact O-N 2.99Å; Q352-G354 PolarHBondContact O-N 3.31Å
355	D	94.6	Very high	92.9	Very high	46 Å²	46	48.3 Å²	48.3	25%	0.246	26%	0.255	C	S	.	.			trans	-61.3	145.3	178.2	-71.9	-11.2	0	0	0	111.3	R329 A330 F351 Q352	R329-D355 WeakPolarHBondContact CA-O 3.35Å; A330-D355 PolarHBondContact N-O 3.1Å; F351-D355 WeakPolarHBondContact CA-OD2 3.16Å; F351-D355 HydrophobicContact CB-CB 4.22Å; F351-D355 WeakPolarHBondContact CB-OD2 3.41Å; Q352-D355 PolarHBondContact N-OD2 3.36Å; Q352-D355 WeakPolarHBondContact O-CB 3.49Å; Q352-D355 PolarHBondContact O-N 3.45Å; Q352-D355 VanDerWaalsContact O-N 3.11Å
356	I	96.1	Very high	93.1	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.9	171.6	-57.2	-62.5	0	0	0	108.4	V328 R329 D373 M444 W643	V328-I356 CarbonylContact O-C 3.6Å; V328-I356 WeakPolarHBondContact O-CA 3.44Å; R329-I356 HydrophobicContact CB-CD1 3.8Å; R329-I356 HydrophobicContact CG-CD1 4.17Å; I356-D373 HydrophobicContact CB-CB 3.72Å; I356-D373 HydrophobicContact CG2-CB 4.09Å; I356-D373 WeakPolarHBondContact O-CB 3.19Å; I356-D373 PolarHBondContact O-N 2.99Å; I356-M444 HydrophobicContact CD1-CG 4.15Å; I356-W643 HydrophobicContact CD1-CB 4.12Å; I356-W643 HydrophobicContact CD1-CD2 4.35Å; I356-W643 HydrophobicContact CD1-CG 3.92Å; I356-W643 HydrophobicContact CG1-CD2 4.33Å; I356-W643 HydrophobicContact CG1-CG 3.97Å; I356-W643 HydrophobicContact CG2-CD2 4.2Å; I356-W643 HydrophobicContact CG2-CH2 4.45Å; I356-W643 HydrophobicContact CG2-CZ2 3.99Å
357	L	96.6	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.2	-179.5	-53.6	176	0	0	0	109.3	V328 A330 L349 F351 V359 Y371 R372 I385 Y441	V328-L357 HydrophobicContact CG2-CB 3.87Å; V328-L357 PolarHBondContact N-O 2.89Å; V328-L357 PolarHBondContact O-N 3.46Å; A330-L357 HydrophobicContact CB-CD1 4.27Å; L349-L357 HydrophobicContact CD2-CD2 4.41Å; F351-L357 HydrophobicContact CB-CD2 4.03Å; F351-L357 HydrophobicContact CD1-CD1 3.82Å; F351-L357 HydrophobicContact CD1-CD2 4.3Å; F351-L357 HydrophobicContact CD2-CD1 4.29Å; F351-L357 HydrophobicContact CE1-CD1 3.92Å; F351-L357 HydrophobicContact CE2-CD1 4.4Å; F351-L357 HydrophobicContact CG-CD1 4Å; F351-L357 HydrophobicContact CG-CD2 4.25Å; F351-L357 HydrophobicContact CZ-CD1 4.21Å; L357-V359 PolarHBondContact O-N 2.82Å; L357-Y371 CarbonylContact C-O 3.58Å; L357-Y371 WeakPolarHBondContact CA-O 3.33Å; L357-R372 HydrophobicContact CD2-CB 4.11Å; L357-R372 HydrophobicContact CD2-CG 4.11Å; L357-I385 HydrophobicContact CD1-CD1 3.78Å; L357-I385 HydrophobicContact CD1-CG2 4.46Å; L357-Y441 HydrophobicContact CD1-CD1 4.46Å; L357-Y441 HydrophobicContact CD1-CE1 3.84Å
358	H	95.3	Very high	93.6	Very high	23 Å²	23	42.2 Å²	42.2	11%	0.106	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	90.8	177.7	-56.7	-41.8	0	0	0	108.3	V325 H327 I360 A370 Y371 D373 W643	V325-H358 HydrophobicContact CG1-CB 4.15Å; H327-H358 AromaticContact CD2-CE1 3.63Å; H327-H358 AromaticContact CD2-ND1 3.1Å; H327-H358 PolarHBondContact CD2-ND1 3.35Å; H327-H358 AromaticContact NE2-ND1 3.86Å; H358-I360 WeakPolarHBondContact O-CG1 3.36Å; H358-I360 PolarHBondContact O-N 3.48Å; H358-A370 CarbonylContact O-C 3.46Å; H358-A370 WeakPolarHBondContact O-CA 3.46Å; H358-A370 WeakPolarHBondContact O-CB 3.38Å; H358-Y371 PolarHBondContact N-O 3.19Å; H358-Y371 PolarHBondContact O-N 3.49Å; H358-D373 IonicContact CE1-OD1 3.1Å; H358-D373 PolarHBondContact CE1-OD1 3.4Å; H358-D373 IonicContact NE2-OD1 2.85Å; H358-D373 PolarHBondContact NE2-OD1 2.87Å; H358-W643 AromaticContact CE1-CZ2 3.94Å
359	V	95.4	Very high	93.7	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.8	-177.8	-175.6	0	0	0	0	109.6	V325 L326 V328 L357 Q362 W368 A370 I385	V325-V359 WeakPolarHBondContact CA-O 3.37Å; L326-V359 HydrophobicContact CB-CB 4.21Å; L326-V359 PolarHBondContact N-O 3.46Å; L326-V359 WeakPolarHBondContact O-CA 3.15Å; L326-V359 WeakPolarHBondContact O-CB 3.38Å; L326-V359 PolarHBondContact O-N 2.9Å; V328-V359 HydrophobicContact CG1-CG2 4.49Å; V328-V359 HydrophobicContact CG2-CG2 3.85Å; L357-V359 PolarHBondContact O-N 2.82Å; V359-Q362 HydrophobicContact CG1-CG 3.68Å; V359-W368 HydrophobicContact CG1-CB 3.99Å; V359-W368 HydrophobicContact CG1-CD2 4.31Å; V359-W368 HydrophobicContact CG1-CE3 4.07Å; V359-W368 HydrophobicContact CG1-CG 4.33Å; V359-W368 HydrophobicContact CG2-CE3 4.14Å; V359-A370 HydrophobicContact CG2-CB 4.15Å; V359-I385 HydrophobicContact CG2-CD1 4.01Å
360	I	92.8	Very high	93.7	Very high	33 Å²	33	41.4 Å²	41.4	17%	0.169	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-29.8	-169.6	-24.4	145.1	0	0	0	111	K263 V325 H358 Q369 Y371 A382	K263-I360 HydrophobicContact CB-CD1 3.9Å; K263-I360 HydrophobicContact CG-CB 4.49Å; K263-I360 HydrophobicContact CG-CD1 4.45Å; V325-I360 HydrophobicContact CG2-CG2 4.36Å; H358-I360 WeakPolarHBondContact O-CG1 3.36Å; H358-I360 PolarHBondContact O-N 3.48Å; I360-Q369 PolarHBondContact N-O 3.09Å; I360-Y371 HydrophobicContact CD1-CD2 3.34Å; I360-Y371 HydrophobicContact CD1-CE2 3.11Å; I360-Y371 HydrophobicContact CD1-CG 4.34Å; I360-Y371 HydrophobicContact CG1-CD2 3.8Å; I360-Y371 HydrophobicContact CG1-CE2 3.93Å; I360-A382 HydrophobicContact CD1-CB 3.32Å
361	S	91.8	Very high	93.7	Very high	8 Å²	8	41.4 Å²	41.4	6%	0.056	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.2	175.3	166.5	0	0	0	0	110.8	D363 Q369	S361-D363 PolarHBondContact OG-N 2.9Å; S361-D363 PolarHBondContact OG-OD2 3.33Å; S361-Q369 PolarHBondContact N-O 3.3Å; S361-Q369 PolarHBondContact O-N 3.1Å
362	Q	91.9	Very high	93.6	Very high	91 Å²	91	44.1 Å²	44.1	43%	0.425	23%	0.226	S	C	.	.			trans	-119.2	22.2	172.9	-59.1	-178.3	-61.4	0	0	110.8	V359 D364 W368	V359-Q362 HydrophobicContact CG1-CG 3.68Å; Q362-D364 VanDerWaalsContact C-N 3.27Å; Q362-D364 CarbonylContact O-C 3.46Å; Q362-D364 PolarHBondContact O-N 3.45Å; Q362-W368 HydrophobicContact CG-CD2 4.08Å; Q362-W368 HydrophobicContact CG-CG 4.12Å; Q362-W368 VanDerWaalsContact NE2-CH2 3.26Å
363	D	89.1	Confident	93.5	Very high	127 Å²	127	40.8 Å²	40.8	68%	0.679	21%	0.213	S	C	*	.	S	Bend	trans	-60.2	-38.4	-174.9	-63.1	-37.8	0	0	0	111.4	S361	S361-D363 PolarHBondContact OG-N 2.9Å; S361-D363 PolarHBondContact OG-OD2 3.33Å
364	D	89.9	Confident	93.2	Very high	37 Å²	37	41 Å²	41	20%	0.198	24%	0.235	C	C	.	.	S	Bend	trans	-90.2	118.5	164.2	179	-11.7	0	0	0	109.7	R260 Q362 N366 W367	R260-D364 IonicContact CZ-OD2 3.43Å; R260-D364 IonicContact NH1-OD2 2.76Å; R260-D364 IonicContact NH2-OD2 2.7Å; R260-D364 PolarHBondContact NH2-OD2 3.34Å; Q362-D364 VanDerWaalsContact C-N 3.27Å; Q362-D364 CarbonylContact O-C 3.46Å; Q362-D364 PolarHBondContact O-N 3.45Å; D364-N366 PolarHBondContact O-N 3.15Å; D364-N366 WeakPolarHBondContact OD1-CA 3.37Å; D364-N366 WeakPolarHBondContact OD1-CB 3.47Å; D364-N366 PolarHBondContact OD1-N 3.21Å; D364-W367 WeakPolarHBondContact CB-O 3.37Å; D364-W367 PolarHBondContact O-N 2.88Å; D364-W367 PolarHBondContact OD1-N 2.8Å
365	P	90.8	Very high	92.8	Very high	76 Å²	76	40.4 Å²	40.4	49%	0.494	22%	0.223	S	C	.	.	S	Bend	trans	-64.7	-22.6	-179.8	26.9	-35.5	0	0	0	114.3
366	N	93.7	Very high	91.5	Very high	66 Å²	66	45.4 Å²	45.4	35%	0.353	25%	0.245	S	C	.	.	S	Bend	trans	-94.1	-29.2	-177.8	-62	-36.5	0	0	0	113.1	D364 G387 F390	D364-N366 PolarHBondContact O-N 3.15Å; D364-N366 WeakPolarHBondContact OD1-CA 3.37Å; D364-N366 WeakPolarHBondContact OD1-CB 3.47Å; D364-N366 PolarHBondContact OD1-N 3.21Å; N366-G387 PolarHBondContact O-N 3.06Å; N366-F390 HydrophobicContact CB-CB 4.26Å; N366-F390 HydrophobicContact CB-CD2 4.41Å; N366-F390 HydrophobicContact CB-CG 4.17Å
367	W	95.6	Very high	90	Very high	15 Å²	15	52.6 Å²	52.6	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	99	-175.8	-65.9	103.8	0	0	0	111.3	R260 Y334 D339 F341 V342 P343 D364 L384 I385 P386 F390	R260-W367 PolarHBondContact NH1-O 3.26Å; Y334-W367 WeakPolarHBondContact OH-CH2 3.45Å; Y334-W367 VanDerWaalsContact OH-CZ3 3.28Å; Y334-W367 WeakPolarHBondContact OH-CZ3 3.45Å; D339-W367 WeakPolarHBondContact OD2-CH2 3.49Å; F341-W367 VanDerWaalsContact C-CZ2 3.5Å; F341-W367 HydrophobicContact CB-CZ2 4.22Å; F341-W367 WeakPolarHBondContact O-CZ2 3.4Å; V342-W367 VanDerWaalsContact CA-CZ2 3.5Å; V342-W367 HydrophobicContact CB-CH2 3.8Å; V342-W367 HydrophobicContact CB-CZ2 4.28Å; V342-W367 HydrophobicContact CB-CZ3 4.22Å; V342-W367 HydrophobicContact CG2-CH2 4.11Å; V342-W367 HydrophobicContact CG2-CZ3 4.01Å; P343-W367 VanDerWaalsContact CD-CE2 3.4Å; P343-W367 VanDerWaalsContact CG-CD1 3.46Å; P343-W367 HydrophobicContact CG-CD2 4.17Å; P343-W367 HydrophobicContact CG-CG 3.84Å; D364-W367 WeakPolarHBondContact CB-O 3.37Å; D364-W367 PolarHBondContact O-N 2.88Å; D364-W367 PolarHBondContact OD1-N 2.8Å; W367-L384 HydrophobicContact CB-CD2 4.49Å; W367-L384 HydrophobicContact CE3-CB 4.24Å; W367-I385 WeakPolarHBondContact CA-O 3.45Å; W367-P386 HydrophobicContact CH2-CG 4.43Å; W367-P386 HydrophobicContact CZ3-CG 4.05Å; W367-F390 HydrophobicContact CH2-CE1 4.39Å; W367-F390 AromaticContact CZ2-CE1 3.76Å; W367-F390 HydrophobicContact CZ2-CE1 3.76Å; W367-F390 HydrophobicContact CZ2-CZ 4.48Å
368	W	95.9	Very high	88.6	Confident	22 Å²	22	58.7 Å²	58.7	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	150.7	179.2	-60.2	-13.7	0	0	0	111	V359 Q362 L384 I385 K388 Y441	V359-W368 HydrophobicContact CG1-CB 3.99Å; V359-W368 HydrophobicContact CG1-CD2 4.31Å; V359-W368 HydrophobicContact CG1-CE3 4.07Å; V359-W368 HydrophobicContact CG1-CG 4.33Å; V359-W368 HydrophobicContact CG2-CE3 4.14Å; Q362-W368 HydrophobicContact CG-CD2 4.08Å; Q362-W368 HydrophobicContact CG-CG 4.12Å; Q362-W368 VanDerWaalsContact NE2-CH2 3.26Å; W368-L384 WeakPolarHBondContact O-CA 3.22Å; W368-I385 HydrophobicContact CB-CD1 4.37Å; W368-I385 HydrophobicContact CB-CG1 3.82Å; W368-I385 HydrophobicContact CE3-CD1 4.33Å; W368-I385 PolarHBondContact N-O 2.93Å; W368-I385 PolarHBondContact O-N 3.05Å; W368-K388 HydrophobicContact CH2-CB 3.38Å; W368-K388 HydrophobicContact CZ2-CB 3.77Å; W368-K388 VanDerWaalsContact CZ2-N 3.32Å; W368-K388 HydrophobicContact CZ3-CB 4.24Å; W368-Y441 HydrophobicContact CZ3-CD2 4.03Å; W368-Y441 HydrophobicContact CZ3-CE2 4.24Å
369	Q	95.1	Very high	87.6	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.019	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.8	172.9	-56.6	-168	38.2	0	0	109.4	V261 V262 K263 I360 S361 A382 G383 L384	V261-Q369 PolarHBondContact O-NE2 3.45Å; V262-Q369 VanDerWaalsContact CA-OE1 3.31Å; K263-Q369 HydrophobicContact CG-CB 4.5Å; I360-Q369 PolarHBondContact N-O 3.09Å; S361-Q369 PolarHBondContact N-O 3.3Å; S361-Q369 PolarHBondContact O-N 3.1Å; Q369-A382 HydrophobicContact CB-CB 3.96Å; Q369-G383 WeakPolarHBondContact CA-O 3.34Å; Q369-L384 HydrophobicContact CG-CD2 4.13Å
370	A	95.6	Very high	87	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.5	-175.4	0	0	0	0	0	112.7	L349 H358 V359 G383 I385	L349-A370 HydrophobicContact CD2-CB 4.36Å; H358-A370 CarbonylContact O-C 3.46Å; H358-A370 WeakPolarHBondContact O-CA 3.46Å; H358-A370 WeakPolarHBondContact O-CB 3.38Å; V359-A370 HydrophobicContact CG2-CB 4.15Å; A370-G383 PolarHBondContact N-O 2.97Å; A370-G383 PolarHBondContact O-N 3.39Å; A370-I385 HydrophobicContact CB-CD1 3.7Å; A370-I385 HydrophobicContact CB-CG1 4.14Å; A370-I385 HydrophobicContact CB-CG2 4.45Å
371	Y	94.3	Very high	86.8	Confident	54 Å²	54	62.8 Å²	62.8	21%	0.212	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	153.2	161.6	-63.5	-75.6	0	0	0	109.8	K263 L357 H358 I360 Q379 P380 L381 A382	K263-Y371 PolarHBondContact O-OH 3.48Å; L357-Y371 CarbonylContact C-O 3.58Å; L357-Y371 WeakPolarHBondContact CA-O 3.33Å; H358-Y371 PolarHBondContact N-O 3.19Å; H358-Y371 PolarHBondContact O-N 3.49Å; I360-Y371 HydrophobicContact CD1-CD2 3.34Å; I360-Y371 HydrophobicContact CD1-CE2 3.11Å; I360-Y371 HydrophobicContact CD1-CG 4.34Å; I360-Y371 HydrophobicContact CG1-CD2 3.8Å; I360-Y371 HydrophobicContact CG1-CE2 3.93Å; Y371-Q379 VanDerWaalsContact CE1-O 3.3Å; Y371-Q379 WeakPolarHBondContact CE1-O 3.43Å; Y371-P380 PolarHBondContact OH-O 3.16Å; Y371-L381 VanDerWaalsContact CE1-C 3.41Å; Y371-L381 WeakPolarHBondContact CE1-O 3.24Å; Y371-A382 HydrophobicContact CE1-CB 4.32Å; Y371-A382 HydrophobicContact CE2-CB 4.32Å; Y371-A382 PolarHBondContact OH-N 2.73Å
372	R	94.8	Very high	86.9	Confident	64 Å²	64	62.5 Å²	62.5	24%	0.242	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	132.8	170.1	-174.7	175.2	62.8	-162.5	2.3	109.4	L349 S350 L357 G374 D375	L349-R372 HydrophobicContact CD1-CB 4.28Å; L349-R372 HydrophobicContact CD2-CB 4.32Å; S350-R372 PolarHBondContact O-NH1 3.22Å; L357-R372 HydrophobicContact CD2-CB 4.11Å; L357-R372 HydrophobicContact CD2-CG 4.11Å; R372-G374 PolarHBondContact O-N 3.22Å; R372-D375 HydrophobicContact CB-CB 4.44Å; R372-D375 IonicContact CZ-OD2 3.86Å; R372-D375 IonicContact NE-OD2 3.58Å; R372-D375 IonicContact NH2-OD2 3.97Å; R372-D375 PolarHBondContact NH2-OD2 2.98Å; R372-D375 PolarHBondContact O-N 3.4Å
373	D	91.4	Very high	87	Confident	68 Å²	68	58.2 Å²	58.2	36%	0.364	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	130.5	176.8	-163.6	45.3	0	0	0	110.4	I356 H358	I356-D373 HydrophobicContact CB-CB 3.72Å; I356-D373 HydrophobicContact CG2-CB 4.09Å; I356-D373 WeakPolarHBondContact O-CB 3.19Å; I356-D373 PolarHBondContact O-N 2.99Å; H358-D373 IonicContact CE1-OD1 3.1Å; H358-D373 PolarHBondContact CE1-OD1 3.4Å; H358-D373 IonicContact NE2-OD1 2.85Å; H358-D373 PolarHBondContact NE2-OD1 2.87Å
374	G	86	Confident	87.4	Confident	74 Å²	74	52.2 Å²	52.2	76%	0.763	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	5	-176.9	0	0	0	0	0	116.3	R372	R372-G374 PolarHBondContact O-N 3.22Å
375	D	83.1	Confident	87.7	Confident	26 Å²	26	50.5 Å²	50.5	14%	0.139	28%	0.279	C	S	.	.			trans	-115.3	21.5	178	-143.1	1.2	0	0	0	113.6	R372 D377 N378 Q379	R372-D375 HydrophobicContact CB-CB 4.44Å; R372-D375 IonicContact CZ-OD2 3.86Å; R372-D375 IonicContact NE-OD2 3.58Å; R372-D375 IonicContact NH2-OD2 3.97Å; R372-D375 PolarHBondContact NH2-OD2 2.98Å; R372-D375 PolarHBondContact O-N 3.4Å; D375-D377 VanDerWaalsContact C-N 3.29Å; D375-D377 PolarHBondContact O-N 3.28Å; D375-N378 PolarHBondContact O-N 3.41Å; D375-N378 WeakPolarHBondContact OD1-CB 3.45Å; D375-N378 PolarHBondContact OD1-ND2 3.3Å; D375-Q379 PolarHBondContact O-N 2.78Å
376	E	66.5	Low	88	Confident	150 Å²	150	46.9 Å²	46.9	70%	0.701	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-35.3	-171.2	-61.4	-173.2	164.2	0	0	113.4
377	D	63.9	Low	88	Confident	164 Å²	164	43.7 Å²	43.7	88%	0.877	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-20.5	-176	-65.8	-37.5	0	0	0	113.7	D375	D375-D377 VanDerWaalsContact C-N 3.29Å; D375-D377 PolarHBondContact O-N 3.28Å
378	N	67.8	Low	87.9	Confident	129 Å²	129	47.1 Å²	47.1	69%	0.69	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-16.5	-173.5	-61.6	-40.2	0	0	0	113.4	D375	D375-N378 PolarHBondContact O-N 3.41Å; D375-N378 WeakPolarHBondContact OD1-CB 3.45Å; D375-N378 PolarHBondContact OD1-ND2 3.3Å
379	Q	74.9	Confident	87.5	Confident	48 Å²	48	49.1 Å²	49.1	22%	0.224	27%	0.271	C	S	.	.			trans	-130.4	88.2	-167.5	-137.9	176	5.5	0	0	112.4	L349 Y371 D375 L381	L349-Q379 VanDerWaalsContact CD1-OE1 3.31Å; Y371-Q379 VanDerWaalsContact CE1-O 3.3Å; Y371-Q379 WeakPolarHBondContact CE1-O 3.43Å; D375-Q379 PolarHBondContact O-N 2.78Å; Q379-L381 WeakPolarHBondContact CG-O 3.28Å; Q379-L381 PolarHBondContact O-N 3.2Å
380	P	81.4	Confident	87.3	Confident	83 Å²	83	50.4 Å²	50.4	54%	0.539	28%	0.276	S	S	.	.	S	Bend	trans	-69.3	-25	178.3	27.7	-34.4	0	0	0	112.5	Y371	Y371-P380 PolarHBondContact OH-O 3.16Å
381	L	90.3	Very high	87.1	Confident	13 Å²	13	50.8 Å²	50.8	7%	0.068	28%	0.278	C	S	.	.	S	Bend	trans	-102.5	142.4	178	-64.7	-171	0	0	0	111.3	P244 V262 L347 Y371 Q379	P244-L381 HydrophobicContact CB-CD1 3.69Å; P244-L381 HydrophobicContact CG-CD1 3.37Å; P244-L381 HydrophobicContact CG-CG 4.12Å; V262-L381 HydrophobicContact CG1-CB 4.03Å; V262-L381 HydrophobicContact CG1-CD1 4.45Å; V262-L381 HydrophobicContact CG1-CD2 4.44Å; L347-L381 HydrophobicContact CD2-CD1 4.3Å; Y371-L381 VanDerWaalsContact CE1-C 3.41Å; Y371-L381 WeakPolarHBondContact CE1-O 3.24Å; Q379-L381 WeakPolarHBondContact CG-O 3.28Å; Q379-L381 PolarHBondContact O-N 3.2Å
382	A	93.2	Very high	86.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-63.3	139.6	168.7	0	0	0	0	0	110.7	V262 K263 I360 Q369 Y371	V262-A382 HydrophobicContact CG1-CB 4.39Å; V262-A382 WeakPolarHBondContact CG1-O 3.43Å; K263-A382 HydrophobicContact CB-CB 3.87Å; K263-A382 PolarHBondContact O-N 3.47Å; I360-A382 HydrophobicContact CD1-CB 3.32Å; Q369-A382 HydrophobicContact CB-CB 3.96Å; Y371-A382 HydrophobicContact CE1-CB 4.32Å; Y371-A382 HydrophobicContact CE2-CB 4.32Å; Y371-A382 PolarHBondContact OH-N 2.73Å
383	G	94.7	Very high	86.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	163.8	174.2	0	0	0	0	0	112.7	L347 Q369 A370	L347-G383 CarbonylContact O-C 3.55Å; L347-G383 WeakPolarHBondContact O-CA 3.27Å; Q369-G383 WeakPolarHBondContact CA-O 3.34Å; A370-G383 PolarHBondContact N-O 2.97Å; A370-G383 PolarHBondContact O-N 3.39Å
384	L	96.2	Very high	86.2	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	127	-178.6	-62.5	179.4	0	0	0	110.6	L347 L349 W367 W368 Q369	L347-L384 HydrophobicContact CB-CD1 4.05Å; L347-L384 HydrophobicContact CB-CG 4Å; L347-L384 PolarHBondContact O-N 3.39Å; L349-L384 PolarHBondContact N-O 2.98Å; W367-L384 HydrophobicContact CB-CD2 4.49Å; W367-L384 HydrophobicContact CE3-CB 4.24Å; W368-L384 WeakPolarHBondContact O-CA 3.22Å; Q369-L384 HydrophobicContact CG-CD2 4.13Å
385	I	96.9	Very high	86.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.1	172.1	65.1	172.9	0	0	0	110.7	L349 F351 L357 V359 W367 W368 A370 G387	L349-I385 HydrophobicContact CB-CG2 3.79Å; L349-I385 HydrophobicContact CD2-CG2 3.84Å; L349-I385 HydrophobicContact CG-CG2 4.13Å; F351-I385 HydrophobicContact CD1-CG2 3.95Å; F351-I385 HydrophobicContact CE1-CB 3.93Å; F351-I385 HydrophobicContact CE1-CG2 3.68Å; L357-I385 HydrophobicContact CD1-CD1 3.78Å; L357-I385 HydrophobicContact CD1-CG2 4.46Å; V359-I385 HydrophobicContact CG2-CD1 4.01Å; W367-I385 WeakPolarHBondContact CA-O 3.45Å; W368-I385 HydrophobicContact CB-CD1 4.37Å; W368-I385 HydrophobicContact CB-CG1 3.82Å; W368-I385 HydrophobicContact CE3-CD1 4.33Å; W368-I385 PolarHBondContact N-O 2.93Å; W368-I385 PolarHBondContact O-N 3.05Å; A370-I385 HydrophobicContact CB-CD1 3.7Å; A370-I385 HydrophobicContact CB-CG1 4.14Å; A370-I385 HydrophobicContact CB-CG2 4.45Å; I385-G387 PolarHBondContact O-N 3.44Å
386	P	96.5	Very high	86	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	130.3	176.1	-21.9	33.3	0	0	0	110.9	Y334 W367 F390 Q391 Y441	Y334-P386 HydrophobicContact CD1-CG 4.23Å; Y334-P386 HydrophobicContact CD2-CG 3.7Å; Y334-P386 HydrophobicContact CE1-CG 4.05Å; Y334-P386 HydrophobicContact CE2-CG 3.51Å; Y334-P386 HydrophobicContact CG-CG 4.07Å; W367-P386 HydrophobicContact CH2-CG 4.43Å; W367-P386 HydrophobicContact CZ3-CG 4.05Å; P386-F390 HydrophobicContact CB-CD1 4.28Å; P386-Q391 HydrophobicContact CB-CB 4.47Å; P386-Y441 WeakPolarHBondContact O-CE2 3.46Å; P386-Y441 PolarHBondContact O-OH 2.77Å
387	G	94.2	Very high	86.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.			trans	-65.4	153.2	173.9	0	0	0	0	0	112	N366 I385 S389 F390 Q391	N366-G387 PolarHBondContact O-N 3.06Å; I385-G387 PolarHBondContact O-N 3.44Å; G387-S389 PolarHBondContact O-N 3.21Å; G387-F390 PolarHBondContact O-N 3.11Å; G387-Q391 PolarHBondContact O-N 2.63Å
388	K	92.4	Very high	87.4	Confident	87 Å²	87	49 Å²	49	38%	0.378	25%	0.252	S	S	.	.	H	α-helix	trans	-57.5	-49.1	-173.1	-179.2	170.5	-177.2	166.4	0	113.7	W368 F390 Q391 Q392 Y441	W368-K388 HydrophobicContact CH2-CB 3.38Å; W368-K388 HydrophobicContact CZ2-CB 3.77Å; W368-K388 VanDerWaalsContact CZ2-N 3.32Å; W368-K388 HydrophobicContact CZ3-CB 4.24Å; K388-F390 VanDerWaalsContact C-N 3.35Å; K388-Q391 PolarHBondContact O-N 2.91Å; K388-Q392 VanDerWaalsContact O-CG 3.27Å; K388-Q392 WeakPolarHBondContact O-CG 3.41Å; K388-Q392 PolarHBondContact O-N 2.62Å; K388-Y441 HydrophobicContact CB-CD2 4.16Å; K388-Y441 PolarHBondContact NZ-O 2.89Å
389	S	89.2	Confident	87.5	Confident	64 Å²	64	49.2 Å²	49.2	45%	0.448	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-41.2	178.6	49	0	0	0	0	111.7	G387 Q392 Q393	G387-S389 PolarHBondContact O-N 3.21Å; S389-Q392 WeakPolarHBondContact O-CB 3.48Å; S389-Q392 PolarHBondContact O-N 3.16Å; S389-Q393 PolarHBondContact O-N 2.84Å
390	F	90.3	Very high	87.1	Confident	30 Å²	30	52 Å²	52	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-44.6	177	-174.8	-119.9	0	0	0	111.5	F341 N366 W367 P386 G387 K388 Q392 Q393 R394	F341-F390 HydrophobicContact CB-CZ 4.24Å; N366-F390 HydrophobicContact CB-CB 4.26Å; N366-F390 HydrophobicContact CB-CD2 4.41Å; N366-F390 HydrophobicContact CB-CG 4.17Å; W367-F390 HydrophobicContact CH2-CE1 4.39Å; W367-F390 AromaticContact CZ2-CE1 3.76Å; W367-F390 HydrophobicContact CZ2-CE1 3.76Å; W367-F390 HydrophobicContact CZ2-CZ 4.48Å; P386-F390 HydrophobicContact CB-CD1 4.28Å; G387-F390 PolarHBondContact O-N 3.11Å; K388-F390 VanDerWaalsContact C-N 3.35Å; F390-Q392 PolarHBondContact O-N 3.4Å; F390-Q393 WeakPolarHBondContact O-CB 3.3Å; F390-Q393 PolarHBondContact O-N 3.31Å; F390-R394 WeakPolarHBondContact O-CG 3.29Å; F390-R394 PolarHBondContact O-N 2.85Å
391	Q	90.8	Very high	85.4	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-63.7	-41.1	175.5	-176.9	61.5	12.5	0	0	112.3	F332 P386 G387 K388 Q393 R394 E395 T440	F332-Q391 HydrophobicContact CD1-CG 4.36Å; F332-Q391 HydrophobicContact CE1-CG 3.84Å; F332-Q391 VanDerWaalsContact CE2-CD 3.49Å; F332-Q391 HydrophobicContact CE2-CG 4.02Å; F332-Q391 HydrophobicContact CZ-CB 4.41Å; F332-Q391 HydrophobicContact CZ-CG 3.63Å; P386-Q391 HydrophobicContact CB-CB 4.47Å; G387-Q391 PolarHBondContact O-N 2.63Å; K388-Q391 PolarHBondContact O-N 2.91Å; Q391-Q393 VanDerWaalsContact C-N 3.28Å; Q391-Q393 PolarHBondContact O-N 3.44Å; Q391-R394 PolarHBondContact O-N 2.84Å; Q391-E395 PolarHBondContact NE2-OE1 3.03Å; Q391-E395 PolarHBondContact O-N 3.16Å; Q391-T440 HydrophobicContact CB-CG2 3.94Å; Q391-T440 HydrophobicContact CG-CG2 3.56Å
392	Q	89.1	Confident	83.3	Confident	75 Å²	75	57.1 Å²	57.1	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-58.8	-41.7	174.1	-72.7	173.5	-12.4	0	0	111.8	K388 S389 F390 E395 S396 V438 T440	K388-Q392 VanDerWaalsContact O-CG 3.27Å; K388-Q392 WeakPolarHBondContact O-CG 3.41Å; K388-Q392 PolarHBondContact O-N 2.62Å; S389-Q392 WeakPolarHBondContact O-CB 3.48Å; S389-Q392 PolarHBondContact O-N 3.16Å; F390-Q392 PolarHBondContact O-N 3.4Å; Q392-E395 PolarHBondContact O-N 3.36Å; Q392-S396 PolarHBondContact O-N 2.93Å; Q392-V438 HydrophobicContact CG-CB 4.26Å; Q392-T440 HydrophobicContact CG-CG2 3.86Å
393	Q	86.3	Confident	80.7	Confident	113 Å²	113	61.1 Å²	61.1	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-63.3	-44.9	176.2	-175.9	178.3	-28	0	0	111.4	S389 F390 Q391 E395 S396 L397	S389-Q393 PolarHBondContact O-N 2.84Å; F390-Q393 WeakPolarHBondContact O-CB 3.3Å; F390-Q393 PolarHBondContact O-N 3.31Å; Q391-Q393 VanDerWaalsContact C-N 3.28Å; Q391-Q393 PolarHBondContact O-N 3.44Å; Q393-E395 VanDerWaalsContact C-N 3.34Å; Q393-E395 PolarHBondContact O-N 3.41Å; Q393-S396 PolarHBondContact O-N 3.48Å; Q393-S396 PolarHBondContact O-OG 2.72Å; Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.35Å; Q393-L397 PolarHBondContact O-N 3.32Å; Q393-L397 VanDerWaalsContact O-N 3.07Å
394	R	85.9	Confident	78.1	Confident	50 Å²	50	71 Å²	71	19%	0.189	36%	0.363	C	S	.	.	H	α-helix	trans	-57.8	-45.2	177.2	-68	174.4	81.5	163.9	12.8	112.2	D339 F390 Q391 L397 K398	D339-R394 IonicContact OD1-CZ 2.91Å; D339-R394 IonicContact OD1-NH1 3.69Å; D339-R394 IonicContact OD1-NH2 3.71Å; D339-R394 PolarHBondContact OD1-NH2 3.46Å; D339-R394 IonicContact OD2-CZ 2.63Å; D339-R394 IonicContact OD2-NH1 3.48Å; D339-R394 PolarHBondContact OD2-NH1 3.21Å; D339-R394 IonicContact OD2-NH2 3.77Å; D339-R394 PolarHBondContact OD2-NH2 3.13Å; F390-R394 WeakPolarHBondContact O-CG 3.29Å; F390-R394 PolarHBondContact O-N 2.85Å; Q391-R394 PolarHBondContact O-N 2.84Å; R394-L397 PolarHBondContact O-N 3.4Å; R394-K398 WeakPolarHBondContact O-CG 3.38Å; R394-K398 PolarHBondContact O-N 3.39Å; R394-K398 VanDerWaalsContact O-N 3.12Å
395	E	84	Confident	75.2	Confident	45 Å²	45	76 Å²	76	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-67.7	-35.1	178.2	-69.5	-56.1	130.2	0	0	112.6	Q391 Q392 Q393 L397 K398 K399 V438	Q391-E395 PolarHBondContact NE2-OE1 3.03Å; Q391-E395 PolarHBondContact O-N 3.16Å; Q392-E395 PolarHBondContact O-N 3.36Å; Q393-E395 VanDerWaalsContact C-N 3.34Å; Q393-E395 PolarHBondContact O-N 3.41Å; E395-L397 VanDerWaalsContact C-N 3.35Å; E395-L397 PolarHBondContact O-N 3.23Å; E395-K398 PolarHBondContact O-N 3.05Å; E395-K398 IonicContact OE1-NZ 3.84Å; E395-K398 PolarHBondContact OE1-NZ 3.4Å; E395-K399 WeakPolarHBondContact O-CG 3.21Å; E395-K399 PolarHBondContact O-N 3.34Å; E395-V438 HydrophobicContact CB-CG1 3.53Å; E395-V438 HydrophobicContact CB-CG2 4.43Å; E395-V438 HydrophobicContact CG-CG1 3.61Å
396	S	82.2	Confident	72.4	Confident	59 Å²	59	86.2 Å²	86.2	41%	0.413	44%	0.437	S	S	.	.	H	α-helix	trans	-63.1	-40.8	174.8	79.5	0	0	0	0	112.2	Q392 Q393 K399 T400	Q392-S396 PolarHBondContact O-N 2.93Å; Q393-S396 PolarHBondContact O-N 3.48Å; Q393-S396 PolarHBondContact O-OG 2.72Å; S396-K399 PolarHBondContact O-N 2.81Å; S396-T400 PolarHBondContact O-N 2.86Å; S396-T400 PolarHBondContact O-OG1 2.85Å
397	L	80.3	Confident	69.4	Low	95 Å²	95	93.5 Å²	93.5	50%	0.497	47%	0.471	S	S	.	.	H	α-helix	trans	-68.3	-41.3	179.2	-68.4	170.8	0	0	0	111.7	Q393 R394 E395 K399 T400 T401	Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 WeakPolarHBondContact O-CG 3.35Å; Q393-L397 PolarHBondContact O-N 3.32Å; Q393-L397 VanDerWaalsContact O-N 3.07Å; R394-L397 PolarHBondContact O-N 3.4Å; E395-L397 VanDerWaalsContact C-N 3.35Å; E395-L397 PolarHBondContact O-N 3.23Å; L397-K399 VanDerWaalsContact C-N 3.29Å; L397-K399 PolarHBondContact O-N 2.66Å; L397-T400 WeakPolarHBondContact CA-OG1 3.3Å; L397-T400 PolarHBondContact O-N 3.46Å; L397-T400 VanDerWaalsContact O-N 3.16Å; L397-T400 PolarHBondContact O-OG1 3.36Å; L397-T401 PolarHBondContact O-N 2.61Å; L397-T401 PolarHBondContact O-OG1 2.97Å
398	K	79.8	Confident	66.5	Low	127 Å²	127	102.3 Å²	102.3	55%	0.552	51%	0.512	S	S	*	.	H	α-helix	trans	-56	-43.3	173.6	-72.7	176.6	-175.1	171.4	0	111.6	R394 E395 T400 T401	R394-K398 WeakPolarHBondContact O-CG 3.38Å; R394-K398 PolarHBondContact O-N 3.39Å; R394-K398 VanDerWaalsContact O-N 3.12Å; E395-K398 PolarHBondContact O-N 3.05Å; E395-K398 IonicContact OE1-NZ 3.84Å; E395-K398 PolarHBondContact OE1-NZ 3.4Å; K398-T400 VanDerWaalsContact C-N 3.34Å; K398-T400 PolarHBondContact O-N 2.81Å; K398-T401 PolarHBondContact O-N 2.77Å
399	K	69.7	Low	63.5	Low	133 Å²	133	107.6 Å²	107.6	58%	0.578	54%	0.538	S	S	*	.	H	α-helix	trans	-67.1	-30.3	178.9	-70.5	-178.7	-178.4	-174.6	0	113.5	E395 S396 L397	E395-K399 WeakPolarHBondContact O-CG 3.21Å; E395-K399 PolarHBondContact O-N 3.34Å; S396-K399 PolarHBondContact O-N 2.81Å; L397-K399 VanDerWaalsContact C-N 3.29Å; L397-K399 PolarHBondContact O-N 2.66Å
400	T	64.9	Low	60.6	Low	106 Å²	106	108.5 Å²	108.5	65%	0.65	56%	0.557	S	S	*	*	H	α-helix	trans	-84.2	-13.1	-179.5	55.8	0	0	0	0	114.5	S396 L397 K398 P402	S396-T400 PolarHBondContact O-N 2.86Å; S396-T400 PolarHBondContact O-OG1 2.85Å; L397-T400 WeakPolarHBondContact CA-OG1 3.3Å; L397-T400 PolarHBondContact O-N 3.46Å; L397-T400 VanDerWaalsContact O-N 3.16Å; L397-T400 PolarHBondContact O-OG1 3.36Å; K398-T400 VanDerWaalsContact C-N 3.34Å; K398-T400 PolarHBondContact O-N 2.81Å; T400-P402 WeakPolarHBondContact O-CD 3.49Å
401	T	47.7	Very low	58.1	Low	92 Å²	92	115.3 Å²	115.3	56%	0.564	59%	0.587	S	S	*	*	S	Bend	trans	-83.9	119.6	179.4	-47.9	0	0	0	0	108.8	L397 K398 D403	L397-T401 PolarHBondContact O-N 2.61Å; L397-T401 PolarHBondContact O-OG1 2.97Å; K398-T401 PolarHBondContact O-N 2.77Å; T401-D403 PolarHBondContact O-N 3.18Å
402	P	45.1	Very low	55.1	Low	111 Å²	111	123.4 Å²	123.4	72%	0.721	63%	0.628	S	S	*	*			trans	-66.4	108.3	176.9	25.5	-31.2	0	0	0	109.4	T400 K404	T400-P402 WeakPolarHBondContact O-CD 3.49Å; P402-K404 PolarHBondContact O-N 3.11Å
403	D	39.3	Very low	52.1	Low	86 Å²	86	129.7 Å²	129.7	46%	0.46	65%	0.649	S	S	.	*			trans	-59.2	106.1	178.8	-167.1	-6.3	0	0	0	110.6	T401 S405 R406	T401-D403 PolarHBondContact O-N 3.18Å; D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 WeakPolarHBondContact OD1-CA 3.34Å; D403-S405 PolarHBondContact OD1-N 3.5Å; D403-S405 PolarHBondContact OD1-OG 2.81Å; D403-R406 WeakPolarHBondContact OD2-CD 3.5Å; D403-R406 VanDerWaalsContact OD2-CG 3.31Å; D403-R406 WeakPolarHBondContact OD2-CG 3.31Å; D403-R406 IonicContact OD2-NE 3.13Å
404	K	39.3	Very low	49.2	Very low	207 Å²	207	130 Å²	130	90%	0.9	66%	0.663	S	S	*	*	S	Bend	trans	-88.2	8.9	171.2	-78.1	-173.1	177	178.6	0	112.6	P402	P402-K404 PolarHBondContact O-N 3.11Å
405	S	34.5	Very low	46.4	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	69%	0.688	S	S	*	*	S	Bend	trans	-121.6	14	-169.7	35.4	0	0	0	0	115.4	D403	D403-S405 VanDerWaalsContact C-N 3.29Å; D403-S405 WeakPolarHBondContact OD1-CA 3.34Å; D403-S405 PolarHBondContact OD1-N 3.5Å; D403-S405 PolarHBondContact OD1-OG 2.81Å
406	R	38.4	Very low	43.8	Very low	215 Å²	215	139.3 Å²	139.3	81%	0.811	72%	0.717	S	S	*	*			trans	-110.6	6	177.1	-90.8	-174.1	169	167.4	-6.1	116.6	D403 Q408	D403-R406 WeakPolarHBondContact OD2-CD 3.5Å; D403-R406 VanDerWaalsContact OD2-CG 3.31Å; D403-R406 WeakPolarHBondContact OD2-CG 3.31Å; D403-R406 IonicContact OD2-NE 3.13Å; R406-Q408 PolarHBondContact O-N 2.8Å
407	E	33.9	Very low	41.4	Very low	153 Å²	153	146.5 Å²	146.5	72%	0.715	74%	0.74	S	S	*	*			trans	-96	65.9	172	-78	-159	126.3	0	0	112.2	K411	E407-K411 WeakPolarHBondContact OE1-CE 3.44Å; E407-K411 IonicContact OE1-NZ 2.81Å; E407-K411 PolarHBondContact OE1-NZ 3.2Å
408	Q	33.8	Very low	38.9	Very low	185 Å²	185	147.8 Å²	147.8	86%	0.864	76%	0.757	S	S	*	*	S	Bend	trans	-161.9	65.3	158.5	-114.9	170.9	49	0	0	111.9	R406	R406-Q408 PolarHBondContact O-N 2.8Å
409	Q	28.7	Very low	36.7	Very low	199 Å²	199	151.8 Å²	151.8	93%	0.93	78%	0.775	S	S	*	*	S	Bend	trans	-169.7	111	142.9	-104.6	164.6	19.7	0	0	109.9
410	G	29.4	Very low	34.7	Very low	82 Å²	82	155.2 Å²	155.2	85%	0.845	79%	0.789	S	S	*	*			trans	79.7	77.9	158.1	0	0	0	0	0	118.7
411	K	37.2	Very low	33.3	Very low	173 Å²	173	158.6 Å²	158.6	75%	0.752	80%	0.803	S	S	*	*			trans	-78.8	125.2	160.1	-80.4	174	176.9	165.9	0	110.3	E407	E407-K411 WeakPolarHBondContact OE1-CE 3.44Å; E407-K411 IonicContact OE1-NZ 2.81Å; E407-K411 PolarHBondContact OE1-NZ 3.2Å
412	I	28.4	Very low	32.4	Very low	178 Å²	178	165.8 Å²	165.8	91%	0.913	82%	0.819	S	S	*	*			trans	-133.9	137.3	146.6	-56.3	178.6	0	0	0	108.4
413	W	26.2	Very low	31.6	Very low	207 Å²	207	171.9 Å²	171.9	78%	0.784	83%	0.828	S	S	*	*			trans	-84	147.9	-153.6	-168.8	-80.2	0	0	0	114.6
414	C	24.6	Very low	31	Very low	121 Å²	121	179.6 Å²	179.6	82%	0.818	85%	0.851	S	S	*	*			trans	-167.6	115.6	132.6	-96.1	0	0	0	0	116.4
415	S	26.6	Very low	30.2	Very low	102 Å²	102	176.8 Å²	176.8	71%	0.713	85%	0.845	S	S	*	*			trans	75.2	96.7	142.2	-65.9	0	0	0	0	121.8
416	K	30.7	Very low	30	Very low	188 Å²	188	178.2 Å²	178.2	82%	0.817	85%	0.85	S	S	*	*			trans	-39.7	125.1	156.5	-63.5	169.9	176.2	172	0	113.3
417	K	30.5	Very low	29.4	Very low	210 Å²	210	173 Å²	173	91%	0.913	85%	0.847	S	S	*	*			trans	-142.4	141.8	139.3	-72.6	-164	179.8	172.8	0	111.7
418	S	28.6	Very low	29	Very low	121 Å²	121	171.8 Å²	171.8	85%	0.846	85%	0.85	S	S	*	*			trans	-65.4	140.2	-158	-45.6	0	0	0	0	116.6	K420	S418-K420 PolarHBondContact O-N 3.35Å
419	K	32.7	Very low	29.2	Very low	212 Å²	212	171.8 Å²	171.8	92%	0.922	85%	0.854	S	S	*	*			trans	-57.7	125.7	161.5	-79.2	174.5	174	172	0	110.5
420	K	29.2	Very low	29.2	Very low	204 Å²	204	167.9 Å²	167.9	89%	0.887	84%	0.844	S	S	*	*			trans	-116.7	108.6	148.5	-93	-173.9	178.4	177.6	0	108.6	S418 R422	S418-K420 PolarHBondContact O-N 3.35Å; K420-R422 PolarHBondContact O-N 3.41Å
421	L	34.8	Very low	29.4	Very low	178 Å²	178	175.5 Å²	175.5	93%	0.932	85%	0.848	S	S	*	*			trans	-60.3	113.3	168.9	-169.7	72.8	0	0	0	108.5
422	R	28.2	Very low	29	Very low	243 Å²	243	173.6 Å²	173.6	92%	0.917	85%	0.846	S	S	*	*			trans	-121	114.6	171.2	-135.5	-179.2	175.7	-171.9	-2.9	109.2	K420	K420-R422 PolarHBondContact O-N 3.41Å
423	R	28.2	Very low	29.4	Very low	239 Å²	239	170.3 Å²	170.3	90%	0.902	83%	0.834	S	S	*	*			trans	-48.3	130.1	175.6	-76.8	174	161.5	159.2	-6.6	110.9
424	R	26.7	Very low	29.8	Very low	248 Å²	248	167 Å²	167	94%	0.936	83%	0.832	S	S	*	*			trans	-87.8	109.3	173.2	-159	175	-169.8	171	1.8	108.1
425	N	23.9	Very low	30.5	Very low	147 Å²	147	171.3 Å²	171.3	79%	0.786	83%	0.832	S	S	*	*			trans	-84.3	147.6	165.5	-82.2	-2.7	0	0	0	109.4
426	T	30.4	Very low	31.6	Very low	137 Å²	137	173 Å²	173	84%	0.84	83%	0.833	S	S	*	*			trans	-63.3	159.2	178.2	11.8	0	0	0	0	113.6
427	S	25.6	Very low	33.3	Very low	107 Å²	107	170.7 Å²	170.7	75%	0.748	83%	0.83	S	S	*	*			trans	91.3	101.2	172.7	82.3	0	0	0	0	117.2
428	T	24.2	Very low	35.5	Very low	127 Å²	127	162.5 Å²	162.5	78%	0.779	80%	0.797	S	S	*	*				176.2	134	111.6	29.1	0	0	0	0	108.8	T430	T428-T430 PolarHBondContact O-N 3.27Å
429	L	38.9	Very low	38.2	Very low	184 Å²	184	160 Å²	160	96%	0.963	77%	0.774	S	S	*	*			trans	-75.2	97.2	-178.6	-154.6	78.4	0	0	0	108.3
430	T	27.4	Very low	41	Very low	117 Å²	117	150.2 Å²	150.2	72%	0.718	73%	0.732	S	S	*	*			trans	-125.6	119.7	166.9	40.9	0	0	0	0	109.6	T428 N432	T428-T430 PolarHBondContact O-N 3.27Å; T430-N432 VanDerWaalsContact C-N 3.34Å; T430-N432 PolarHBondContact O-N 3.15Å
431	R	34.8	Very low	44.1	Very low	243 Å²	243	141 Å²	141	92%	0.917	69%	0.692	S	S	*	*			trans	-62.8	86.2	176.4	-118.9	165.5	73.6	173.8	5.6	109.3
432	N	28.6	Very low	46.9	Very low	132 Å²	132	134.9 Å²	134.9	71%	0.706	66%	0.659	S	S	*	*			trans	-109.5	102.2	162.2	-101.2	15.3	0	0	0	108.4	T430 D434	T430-N432 VanDerWaalsContact C-N 3.34Å; T430-N432 PolarHBondContact O-N 3.15Å; N432-D434 PolarHBondContact O-N 2.85Å
433	T	35.8	Very low	50.1	Low	109 Å²	109	128.1 Å²	128.1	67%	0.669	64%	0.637	S	S	*	*			trans	-74.9	67.5	174.8	46.1	0	0	0	0	110.9
434	D	36	Very low	53.3	Low	138 Å²	138	116.8 Å²	116.8	74%	0.738	60%	0.595	S	S	*	*			trans	-122.6	43.9	167.5	-84.5	-22.4	0	0	0	109.6	N432	N432-D434 PolarHBondContact O-N 2.85Å
435	Y	39.9	Very low	56.6	Low	212 Å²	212	106.7 Å²	106.7	83%	0.831	56%	0.562	S	S	*	*			trans	-86	117.2	157	-84	-89.8	0	0	0	106.3	D437	Y435-D437 VanDerWaalsContact C-N 3.26Å; Y435-D437 PolarHBondContact O-N 3.45Å
436	D	49.8	Very low	59.9	Low	137 Å²	137	103.8 Å²	103.8	73%	0.733	55%	0.546	S	S	*	.			trans	-50.8	96.1	161.5	-79.5	-35.2	0	0	0	107.6	V438	D436-V438 PolarHBondContact O-N 3.02Å
437	D	64.6	Low	63.1	Low	140 Å²	140	98.9 Å²	98.9	75%	0.749	51%	0.512	S	S	*	.			trans	-57.1	116.8	169.9	-103.4	-24.3	0	0	0	106.4	Y435 L439	Y435-D437 VanDerWaalsContact C-N 3.26Å; Y435-D437 PolarHBondContact O-N 3.45Å; D437-L439 PolarHBondContact O-N 2.48Å
438	V	77.6	Confident	66.4	Low	37 Å²	37	99.8 Å²	99.8	22%	0.224	50%	0.504	C	S	.	.			trans	-61.2	113.3	177.6	179.6	0	0	0	0	107	Q392 E395 D436 T440	Q392-V438 HydrophobicContact CG-CB 4.26Å; E395-V438 HydrophobicContact CB-CG1 3.53Å; E395-V438 HydrophobicContact CB-CG2 4.43Å; E395-V438 HydrophobicContact CG-CG1 3.61Å; D436-V438 PolarHBondContact O-N 3.02Å; V438-T440 HydrophobicContact CB-CG2 4.44Å; V438-T440 HydrophobicContact CG1-CG2 3.84Å; V438-T440 PolarHBondContact O-N 3.19Å; V438-T440 PolarHBondContact O-OG1 3.13Å
439	L	85.1	Confident	69.8	Low	70 Å²	70	94.6 Å²	94.6	37%	0.366	47%	0.471	S	S	.	.			trans	-62.1	102.7	176.8	-67.9	179.2	0	0	0	108.7	Y331 D437 H612	Y331-L439 HydrophobicContact CD2-CD2 4.33Å; D437-L439 PolarHBondContact O-N 2.48Å; L439-H612 HydrophobicContact CD1-CB 4.45Å; L439-H612 HydrophobicContact CD2-CB 4.5Å
440	T	91.4	Very high	72.3	Confident	5 Å²	5	88 Å²	88	3%	0.031	44%	0.44	C	S	.	.			trans	-119.6	-85.8	-178	45.6	0	0	0	0	109.1	Y331 F332 Q391 Q392 V438	Y331-T440 PolarHBondContact N-O 2.95Å; F332-T440 WeakPolarHBondContact CD1-O 3.17Å; F332-T440 WeakPolarHBondContact CE1-O 3.41Å; Q391-T440 HydrophobicContact CB-CG2 3.94Å; Q391-T440 HydrophobicContact CG-CG2 3.56Å; Q392-T440 HydrophobicContact CG-CG2 3.86Å; V438-T440 HydrophobicContact CB-CG2 4.44Å; V438-T440 HydrophobicContact CG1-CG2 3.84Å; V438-T440 PolarHBondContact O-N 3.19Å; V438-T440 PolarHBondContact O-OG1 3.13Å
441	Y	94.2	Very high	75.3	Confident	10 Å²	10	86.4 Å²	86.4	4%	0.039	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.8	177.7	-54.5	-74.4	0	0	0	110.4	V328 R329 A330 F332 F351 L357 W368 P386 K388	V328-Y441 HydrophobicContact CG2-CD1 3.9Å; V328-Y441 HydrophobicContact CG2-CG 4.27Å; R329-Y441 WeakPolarHBondContact O-CA 3.48Å; A330-Y441 HydrophobicContact CB-CD1 4.27Å; A330-Y441 HydrophobicContact CB-CE1 4.23Å; F332-Y441 HydrophobicContact CE1-CD1 4.28Å; F332-Y441 AromaticContact CE1-CE1 3.74Å; F332-Y441 HydrophobicContact CE1-CE1 3.74Å; F332-Y441 HydrophobicContact CE1-CE2 4.04Å; F332-Y441 AromaticContact CE1-CZ 3.64Å; F332-Y441 HydrophobicContact CZ-CE1 4.06Å; F332-Y441 HydrophobicContact CZ-CE2 4.2Å; F332-Y441 AromaticContact CZ-CZ 3.64Å; F332-Y441 WeakPolarHBondContact CZ-OH 3.49Å; F351-Y441 HydrophobicContact CE2-CE1 4.28Å; F351-Y441 AromaticContact CZ-CE1 3.95Å; F351-Y441 HydrophobicContact CZ-CE1 3.95Å; F351-Y441 WeakPolarHBondContact CZ-OH 3.44Å; L357-Y441 HydrophobicContact CD1-CD1 4.46Å; L357-Y441 HydrophobicContact CD1-CE1 3.84Å; W368-Y441 HydrophobicContact CZ3-CD2 4.03Å; W368-Y441 HydrophobicContact CZ3-CE2 4.24Å; P386-Y441 WeakPolarHBondContact O-CE2 3.46Å; P386-Y441 PolarHBondContact O-OH 2.77Å; K388-Y441 HydrophobicContact CB-CD2 4.16Å; K388-Y441 PolarHBondContact NZ-O 2.89Å
442	E	94	Very high	78	Confident	51 Å²	51	80.8 Å²	80.8	24%	0.238	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.4	167	178.2	175	-144.6	0	0	109.4	V328 R329 Y331 M444 R561 P645	V328-E442 CarbonylContact C-O 3.59Å; V328-E442 VanDerWaalsContact CA-O 3.24Å; V328-E442 WeakPolarHBondContact CA-O 3.5Å; R329-E442 PolarHBondContact N-O 2.9Å; R329-E442 PolarHBondContact O-N 3.41Å; R329-E442 VanDerWaalsContact O-N 3.1Å; Y331-E442 HydrophobicContact CD2-CB 4.28Å; Y331-E442 HydrophobicContact CE2-CB 3.42Å; Y331-E442 VanDerWaalsContact CE2-CB 3.42Å; Y331-E442 HydrophobicContact CE2-CG 4.43Å; Y331-E442 PolarHBondContact OH-OE2 3.25Å; E442-M444 HydrophobicContact CG-SD 4.15Å; E442-M444 WeakPolarHBondContact O-CG 3.37Å; E442-R561 IonicContact OE1-NH2 2.62Å; E442-R561 PolarHBondContact OE1-NH2 2.79Å; E442-R561 VanDerWaalsContact OE1-NH2 3.13Å; E442-R561 IonicContact OE2-NH2 2.77Å; E442-R561 PolarHBondContact OE2-NH2 2.77Å; E442-P645 HydrophobicContact CG-CB 4.44Å; E442-P645 WeakPolarHBondContact OE1-CB 3.37Å; E442-P645 WeakPolarHBondContact OE1-CG 3.48Å
443	E	94.8	Very high	81.1	Confident	101 Å²	101	78.8 Å²	78.8	47%	0.472	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.4	178.7	-164.5	-169	138.8	0	0	110.6	L326 P645 S646	L326-E443 HydrophobicContact CD1-CG 3.54Å; L326-E443 HydrophobicContact CG-CG 4.37Å; E443-P645 WeakPolarHBondContact O-CA 3.18Å; E443-S646 WeakPolarHBondContact CG-OG 3.45Å; E443-S646 PolarHBondContact O-N 2.96Å; E443-S646 WeakPolarHBondContact OE1-CB 3.41Å; E443-S646 PolarHBondContact OE1-OG 2.61Å; E443-S646 VanDerWaalsContact OE1-OG 3.1Å
444	M	95.6	Very high	83.9	Confident	1 Å²	1	75 Å²	75	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	-173.5	-53.4	-59.3	-72	0	0	111.1	H327 R329 I356 E442 W643 V644 S646	H327-M444 WeakPolarHBondContact CB-O 3.37Å; H327-M444 PolarHBondContact O-N 2.86Å; R329-M444 HydrophobicContact CB-CE 4.5Å; R329-M444 HydrophobicContact CB-CG 3.64Å; R329-M444 HydrophobicContact CB-SD 3.9Å; I356-M444 HydrophobicContact CD1-CG 4.15Å; E442-M444 HydrophobicContact CG-SD 4.15Å; E442-M444 WeakPolarHBondContact O-CG 3.37Å; M444-W643 HydrophobicContact CB-CB 4.47Å; M444-W643 HydrophobicContact CB-CE3 3.77Å; M444-W643 HydrophobicContact CB-CZ3 4.47Å; M444-W643 HydrophobicContact CE-CB 3.9Å; M444-W643 WeakPolarHBondContact CE-O 3.42Å; M444-V644 CarbonylContact C-O 3.55Å; M444-V644 VanDerWaalsContact CA-O 3.29Å; M444-V644 WeakPolarHBondContact CA-O 3.41Å; M444-V644 VanDerWaalsContact CE-C 3.49Å; M444-S646 PolarHBondContact N-OG 3.42Å; M444-S646 PolarHBondContact O-OG 2.81Å
445	S	95.3	Very high	86.8	Confident	36 Å²	36	68.7 Å²	68.7	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	148.1	172.4	-71.1	0	0	0	0	109.4	Y447 V644 S646 L649	S445-Y447 PolarHBondContact O-N 2.95Å; S445-V644 PolarHBondContact N-O 3.02Å; S445-V644 WeakPolarHBondContact O-CG2 3.36Å; S445-V644 PolarHBondContact O-N 2.65Å; S445-S646 PolarHBondContact OG-OG 3.3Å; S445-L649 VanDerWaalsContact CB-CD1 3.48Å
446	L	94.9	Very high	89.6	Confident	86 Å²	86	58.6 Å²	58.6	45%	0.45	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	130	173.4	-73.6	176	0	0	0	110.4	P641 W643	L446-P641 HydrophobicContact CB-CB 4.2Å; L446-P641 HydrophobicContact CD2-CB 4.16Å; L446-P641 HydrophobicContact CD2-CG 4.35Å; L446-W643 HydrophobicContact CD1-CH2 4.23Å; L446-W643 HydrophobicContact CD1-CZ2 4.35Å; L446-W643 HydrophobicContact CD2-CD2 3.65Å; L446-W643 HydrophobicContact CD2-CE3 3.95Å; L446-W643 HydrophobicContact CD2-CG 4.13Å; L446-W643 HydrophobicContact CD2-CH2 4.11Å; L446-W643 HydrophobicContact CD2-CZ2 3.85Å; L446-W643 HydrophobicContact CD2-CZ3 4.17Å; L446-W643 HydrophobicContact CG-CD2 4.22Å; L446-W643 HydrophobicContact CG-CE3 4.03Å; L446-W643 HydrophobicContact CG-CH2 3.75Å; L446-W643 HydrophobicContact CG-CZ2 3.97Å; L446-W643 HydrophobicContact CG-CZ3 3.8Å
447	Y	96	Very high	91.9	Very high	33 Å²	33	52.1 Å²	52.1	13%	0.129	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.4	175.7	175	-102.2	0	0	0	110.8	S445 P450 R455 K566 P641 Q642 V644 L649	S445-Y447 PolarHBondContact O-N 2.95Å; Y447-P450 VanDerWaalsContact OH-CD 3.25Å; Y447-P450 WeakPolarHBondContact OH-CD 3.44Å; Y447-R455 HydrophobicContact CE1-CG 4.01Å; Y447-K566 HydrophobicContact CD2-CD 4.33Å; Y447-K566 HydrophobicContact CE1-CD 4.02Å; Y447-K566 HydrophobicContact CE2-CD 3.75Å; Y447-P641 WeakPolarHBondContact O-CA 3.5Å; Y447-Q642 PolarHBondContact N-O 3.34Å; Y447-Q642 PolarHBondContact O-N 3.47Å; Y447-V644 VanDerWaalsContact CB-CG2 3.43Å; Y447-V644 HydrophobicContact CD1-CG1 4.45Å; Y447-V644 HydrophobicContact CG-CG2 4.26Å; Y447-L649 HydrophobicContact CD2-CD2 3.55Å; Y447-L649 HydrophobicContact CE2-CD2 4.22Å; Y447-L649 HydrophobicContact CG-CD2 4.27Å
448	H	95.9	Very high	93.4	Very high	126 Å²	126	45.4 Å²	45.4	58%	0.583	24%	0.239	S	C	*	.	P	Polyproline II helix	trans	-86	128.6	170.6	-67.8	-95.6	0	0	0	109.8	P450 P641	H448-P450 VanDerWaalsContact O-CD 3.27Å; H448-P450 WeakPolarHBondContact O-CD 3.27Å; H448-P641 VanDerWaalsContact CE1-CG 3.49Å; H448-P641 WeakPolarHBondContact CE1-CG 3.38Å
449	Q	94.8	Very high	94.3	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.084	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-69.1	121.5	173.6	-178.6	163.9	-88.6	0	0	110.2	K454 R455 L637 D638	Q449-K454 HydrophobicContact CG-CD 4.35Å; Q449-R455 HydrophobicContact CG-CG 4.39Å; Q449-R455 VanDerWaalsContact OE1-CB 3.25Å; Q449-R455 VanDerWaalsContact OE1-CG 3.24Å; Q449-L637 WeakPolarHBondContact CB-O 3.35Å; Q449-D638 PolarHBondContact NE2-OD1 3.39Å
450	P	92.8	Very high	94.8	Very high	46 Å²	46	40.4 Å²	40.4	30%	0.299	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-67.6	142.2	174.7	-19	32	0	0	0	111.4	Y447 H448 N452 R453	Y447-P450 VanDerWaalsContact OH-CD 3.25Å; Y447-P450 WeakPolarHBondContact OH-CD 3.44Å; H448-P450 VanDerWaalsContact O-CD 3.27Å; H448-P450 WeakPolarHBondContact O-CD 3.27Å; P450-N452 PolarHBondContact O-N 3.5Å; P450-R453 HydrophobicContact CB-CB 4.05Å; P450-R453 HydrophobicContact CG-CB 4.24Å; P450-R453 CarbonylContact O-C 3.49Å; P450-R453 PolarHBondContact O-N 3.44Å
451	A	90.6	Very high	95	Very high	84 Å²	84	40.7 Å²	40.7	69%	0.694	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.3	-178.8	0	0	0	0	0	113.6	K454	A451-K454 VanDerWaalsContact O-CE 3.25Å; A451-K454 WeakPolarHBondContact O-CE 3.29Å
452	N	90.7	Very high	95	Very high	124 Å²	124	40.5 Å²	40.5	66%	0.663	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.5	179.2	66	-14.8	0	0	0	114	P450	P450-N452 PolarHBondContact O-N 3.5Å
453	R	92.5	Very high	94.8	Very high	90 Å²	90	41.3 Å²	41.3	34%	0.34	23%	0.231	S	C	.	.	S	Bend	trans	-140.3	79.8	-175.6	-166.5	-178.8	173.6	174.4	-4	110.5	P450 V542 N564	P450-R453 HydrophobicContact CB-CB 4.05Å; P450-R453 HydrophobicContact CG-CB 4.24Å; P450-R453 CarbonylContact O-C 3.49Å; P450-R453 PolarHBondContact O-N 3.44Å; R453-V542 HydrophobicContact CG-CG1 3.48Å; R453-V542 VanDerWaalsContact CG-CG1 3.48Å; R453-N564 PolarHBondContact NH2-O 3.36Å
454	K	95.9	Very high	94.5	Very high	31 Å²	31	39.7 Å²	39.7	14%	0.135	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-71.4	138.8	179.1	-54.5	-65.1	178	172	0	111.1	Q449 A451 V542 G545 I547 D638	Q449-K454 HydrophobicContact CG-CD 4.35Å; A451-K454 VanDerWaalsContact O-CE 3.25Å; A451-K454 WeakPolarHBondContact O-CE 3.29Å; K454-V542 WeakPolarHBondContact O-CG1 3.34Å; K454-G545 VanDerWaalsContact CG-O 3.28Å; K454-G545 WeakPolarHBondContact CG-O 3.39Å; K454-I547 HydrophobicContact CB-CB 4.49Å; K454-I547 HydrophobicContact CB-CG1 3.7Å; K454-I547 HydrophobicContact CD-CG1 4.44Å; K454-I547 HydrophobicContact CG-CG1 3.97Å; K454-D638 IonicContact NZ-OD1 3.52Å; K454-D638 PolarHBondContact NZ-OD1 3.23Å; K454-D638 IonicContact NZ-OD2 2.6Å; K454-D638 PolarHBondContact NZ-OD2 2.99Å
455	R	97.2	Very high	94.2	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.019	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-69.5	139.9	176.7	-65.2	169.7	68.1	-171.5	-1.4	109.6	Y447 Q449 V457 K566 P567	Y447-R455 HydrophobicContact CE1-CG 4.01Å; Q449-R455 HydrophobicContact CG-CG 4.39Å; Q449-R455 VanDerWaalsContact OE1-CB 3.25Å; Q449-R455 VanDerWaalsContact OE1-CG 3.24Å; R455-V457 PolarHBondContact O-N 3.33Å; R455-K566 WeakPolarHBondContact CB-O 3.36Å; R455-K566 WeakPolarHBondContact CG-O 3.46Å; R455-K566 PolarHBondContact NE-O 2.86Å; R455-P567 PolarHBondContact NH2-O 3.49Å
456	P	97.5	Very high	94	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.4	134.7	169.1	-22.1	34.3	0	0	0	110.8	V538 V542 C548 L550 L565 P567 Y568	P456-V538 HydrophobicContact CB-CG1 3.97Å; P456-V538 HydrophobicContact CG-CG1 3.58Å; P456-V542 HydrophobicContact CG-CG2 3.59Å; P456-C548 CarbonylContact C-O 3.37Å; P456-C548 VanDerWaalsContact CA-O 3.32Å; P456-C548 WeakPolarHBondContact CA-O 3.28Å; P456-C548 HydrophobicContact CB-CB 4.11Å; P456-C548 HydrophobicContact CG-CB 4.45Å; P456-L550 HydrophobicContact CB-CD1 3.97Å; P456-L565 WeakPolarHBondContact CD-O 3.48Å; P456-L565 HydrophobicContact CG-CB 4.21Å; P456-P567 CarbonylContact O-C 3.57Å; P456-P567 WeakPolarHBondContact O-CA 3.08Å; P456-Y568 PolarHBondContact O-N 3.47Å
457	V	97.8	Very high	93.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.5	175.1	174.9	0	0	0	0	108.2	R455 L459 I547 C548 L549 L550 Y568 V570 V634 L637	R455-V457 PolarHBondContact O-N 3.33Å; V457-L459 HydrophobicContact CG1-CD2 3.92Å; V457-I547 HydrophobicContact CB-CG2 4.15Å; V457-I547 HydrophobicContact CG2-CG2 3.63Å; V457-C548 PolarHBondContact N-O 3.06Å; V457-L549 HydrophobicContact CB-CD2 4.01Å; V457-L549 HydrophobicContact CG1-CD2 4.29Å; V457-L549 WeakPolarHBondContact O-CA 3.48Å; V457-L550 PolarHBondContact O-N 3.09Å; V457-Y568 CarbonylContact C-O 3.51Å; V457-Y568 WeakPolarHBondContact CA-O 3.49Å; V457-V570 HydrophobicContact CG1-CG2 4.32Å; V457-V634 HydrophobicContact CG1-CG2 4.25Å; V457-V634 HydrophobicContact CG2-CG2 4.1Å; V457-L637 HydrophobicContact CG2-CD1 4.32Å
458	A	97.3	Very high	93.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.9	179.1	0	0	0	0	0	110.1	L550 L560 Y568 V569 V570	A458-L550 CarbonylContact C-O 3.56Å; A458-L550 WeakPolarHBondContact CA-O 3.44Å; A458-L550 HydrophobicContact CB-CB 4.28Å; A458-L560 HydrophobicContact CB-CD2 3.89Å; A458-Y568 PolarHBondContact N-O 2.86Å; A458-V569 HydrophobicContact CB-CG2 4.32Å; A458-V569 WeakPolarHBondContact O-CA 3.36Å; A458-V570 PolarHBondContact O-N 3.22Å
459	L	97	Very high	93.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.6	174.5	-53.4	-177.2	0	0	0	108.9	V457 H467 R471 L550 V570 L630	V457-L459 HydrophobicContact CG1-CD2 3.92Å; L459-H467 HydrophobicContact CB-CB 4.34Å; L459-R471 HydrophobicContact CD1-CB 4.04Å; L459-L550 PolarHBondContact N-O 3.4Å; L459-V570 WeakPolarHBondContact CA-O 3.37Å; L459-V570 HydrophobicContact CD2-CB 4.02Å; L459-L630 HydrophobicContact CD1-CD2 4.27Å; L459-L630 HydrophobicContact CD2-CD1 3.87Å; L459-L630 HydrophobicContact CD2-CD2 4.14Å
460	V	95.8	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.6	-179.3	-67.2	0	0	0	0	110.3	L552 T554 L557 V569 V570 F571 I572 F614	V460-L552 WeakPolarHBondContact CG1-O 3.39Å; V460-T554 HydrophobicContact CB-CG2 4.47Å; V460-L557 HydrophobicContact CG1-CD1 4.22Å; V460-L557 HydrophobicContact CG1-CD2 3.92Å; V460-L557 HydrophobicContact CG1-CG 4.32Å; V460-L557 HydrophobicContact CG2-CD1 4.46Å; V460-V569 HydrophobicContact CG1-CG1 4.43Å; V460-V569 HydrophobicContact CG2-CG1 3.75Å; V460-V570 PolarHBondContact N-O 2.93Å; V460-F571 HydrophobicContact CG2-CB 4.2Å; V460-F571 HydrophobicContact CG2-CD2 4.13Å; V460-F571 CarbonylContact O-C 3.56Å; V460-F571 VanDerWaalsContact O-CA 3.31Å; V460-F571 WeakPolarHBondContact O-CA 3.33Å; V460-F571 WeakPolarHBondContact O-CD2 3.47Å; V460-I572 PolarHBondContact O-N 3.28Å; V460-F614 HydrophobicContact CG2-CD1 4.04Å; V460-F614 HydrophobicContact CG2-CE1 3.78Å; V460-F614 HydrophobicContact CG2-CZ 4.41Å
461	G	94.5	Very high	93.5	Very high	12 Å²	12	34.8 Å²	34.8	12%	0.124	20%	0.198	C	C	.	.			trans	-178.7	163.2	178.7	0	0	0	0	0	110.7	H467	G461-H467 PolarHBondContact O-CE1 3Å
462	P	93.6	Very high	93.7	Very high	6 Å²	6	37 Å²	37	4%	0.039	19%	0.188	C	C	.	.			trans	-65.2	158.5	174.9	30.2	-36.1	0	0	0	110.2	N464 S465 H467 P574 V599 K602 A603 M606	P462-N464 PolarHBondContact O-N 3.39Å; P462-S465 VanDerWaalsContact O-CB 3.31Å; P462-S465 WeakPolarHBondContact O-CB 3.37Å; P462-S465 PolarHBondContact O-N 2.87Å; P462-S465 VanDerWaalsContact O-N 3.11Å; P462-S465 PolarHBondContact O-OG 2.69Å; P462-H467 PolarHBondContact O-CE1 3.21Å; P462-H467 VanDerWaalsContact O-CE1 3.26Å; P462-H467 PolarHBondContact O-ND1 3.46Å; P462-P574 HydrophobicContact CG-CG 4.17Å; P462-V599 HydrophobicContact CB-CG1 4.25Å; P462-V599 HydrophobicContact CG-CG1 3.96Å; P462-K602 HydrophobicContact CB-CB 4.02Å; P462-A603 HydrophobicContact CG-CB 3.96Å; P462-M606 HydrophobicContact CB-SD 4.21Å
463	A	89.8	Confident	93.9	Very high	68 Å²	68	34.2 Å²	34.2	56%	0.562	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	143	172.3	0	0	0	0	0	110.4	S465 V599	A463-S465 PolarHBondContact O-N 3.05Å; A463-V599 WeakPolarHBondContact O-CG2 3.29Å
464	N	89	Confident	94	Very high	66 Å²	66	30 Å²	30	35%	0.353	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	8.5	-175.8	-50.6	-48.2	0	0	0	116.3	P462 G466 L580 L584 L591 V599	P462-N464 PolarHBondContact O-N 3.39Å; N464-G466 PolarHBondContact O-N 2.9Å; N464-L580 WeakPolarHBondContact O-CD1 3.48Å; N464-L584 HydrophobicContact CB-CD2 4.31Å; N464-L591 HydrophobicContact CB-CD1 4.46Å; N464-V599 HydrophobicContact CB-CG2 4.44Å
465	S	90.5	Very high	94	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	16%	0.158	C	C	.	.	S	Bend	trans	-71.2	-11	168.5	52.6	0	0	0	0	113.9	P462 A463 H467 I572 N620	P462-S465 VanDerWaalsContact O-CB 3.31Å; P462-S465 WeakPolarHBondContact O-CB 3.37Å; P462-S465 PolarHBondContact O-N 2.87Å; P462-S465 VanDerWaalsContact O-N 3.11Å; P462-S465 PolarHBondContact O-OG 2.69Å; A463-S465 PolarHBondContact O-N 3.05Å; S465-H467 PolarHBondContact OG-ND1 3.48Å; S465-I572 WeakPolarHBondContact CB-O 3.3Å; S465-N620 WeakPolarHBondContact O-CB 3.35Å; S465-N620 PolarHBondContact O-ND2 2.97Å
466	G	89.3	Confident	93.9	Very high	15 Å²	15	34.6 Å²	34.6	16%	0.155	19%	0.185	C	C	.	.	S	Bend	trans	92.7	2	177.6	0	0	0	0	0	115.5	N464 D468 E469 L470	N464-G466 PolarHBondContact O-N 2.9Å; G466-D468 PolarHBondContact O-N 3.01Å; G466-E469 PolarHBondContact O-N 3.44Å; G466-E469 VanDerWaalsContact O-N 3.1Å; G466-L470 WeakPolarHBondContact O-CG 3.31Å; G466-L470 PolarHBondContact O-N 3.01Å
467	H	91.6	Very high	93.6	Very high	21 Å²	21	39.4 Å²	39.4	10%	0.097	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-34.1	176.2	60.7	-90.7	0	0	0	113.5	L459 G461 P462 S465 R471 I572	L459-H467 HydrophobicContact CB-CB 4.34Å; G461-H467 PolarHBondContact O-CE1 3Å; P462-H467 PolarHBondContact O-CE1 3.21Å; P462-H467 VanDerWaalsContact O-CE1 3.26Å; P462-H467 PolarHBondContact O-ND1 3.46Å; S465-H467 PolarHBondContact OG-ND1 3.48Å; H467-R471 WeakPolarHBondContact O-CB 3.46Å; H467-R471 PolarHBondContact O-N 3.2Å; H467-I572 HydrophobicContact CB-CB 3.96Å; H467-I572 HydrophobicContact CB-CG1 3.74Å; H467-I572 HydrophobicContact CB-CG2 4.3Å
468	D	91.5	Very high	93.3	Very high	71 Å²	71	42.8 Å²	42.8	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-67.5	-37.7	175.5	-83.6	-40.7	0	0	0	113.5	G466 R471 R472	G466-D468 PolarHBondContact O-N 3.01Å; D468-R471 IonicContact OD1-CZ 3.94Å; D468-R471 IonicContact OD1-NE 3.02Å; D468-R471 IonicContact OD1-NH2 2.66Å; D468-R471 PolarHBondContact OD1-NH2 2.81Å; D468-R472 PolarHBondContact O-N 3.39Å
469	E	91.8	Very high	93	Very high	68 Å²	68	46.2 Å²	46.2	32%	0.318	25%	0.249	S	C	.	.	H	α-helix	trans	-67.9	-48.6	176	-178.3	60.7	-120.2	0	0	110	G466 R471 R472 R473	G466-E469 PolarHBondContact O-N 3.44Å; G466-E469 VanDerWaalsContact O-N 3.1Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 3.36Å; E469-R472 VanDerWaalsContact CD-NH1 3.31Å; E469-R472 PolarHBondContact O-N 2.78Å; E469-R472 VanDerWaalsContact O-N 3.11Å; E469-R472 IonicContact OE1-CZ 3.76Å; E469-R472 IonicContact OE1-NH1 3.39Å; E469-R472 PolarHBondContact OE1-NH1 3.07Å; E469-R472 VanDerWaalsContact OE1-NH1 3.1Å; E469-R472 IonicContact OE2-CZ 2.7Å; E469-R472 IonicContact OE2-NH1 2.85Å; E469-R472 PolarHBondContact OE2-NH1 3.15Å; E469-R472 IonicContact OE2-NH2 3.78Å; E469-R472 PolarHBondContact OE2-NH2 3.25Å; E469-R473 WeakPolarHBondContact O-CB 3.38Å; E469-R473 PolarHBondContact O-N 3.48Å
470	L	94.5	Very high	92.8	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.016	29%	0.286	C	S	.	.	H	α-helix	trans	-56.9	-44	176.5	-66.5	176.4	0	0	0	111.6	G466 R473 L474 I572 F627 L630	G466-L470 WeakPolarHBondContact O-CG 3.31Å; G466-L470 PolarHBondContact O-N 3.01Å; L470-R473 PolarHBondContact O-N 3.39Å; L470-L474 WeakPolarHBondContact O-CG 3.3Å; L470-L474 PolarHBondContact O-N 3.37Å; L470-I572 HydrophobicContact CD1-CD1 4.12Å; L470-I572 HydrophobicContact CD1-CG1 4.49Å; L470-I572 HydrophobicContact CD1-CG2 4.17Å; L470-F627 HydrophobicContact CD2-CB 3.77Å; L470-F627 HydrophobicContact CD2-CD2 4.24Å; L470-L630 HydrophobicContact CB-CD2 4.01Å; L470-L630 HydrophobicContact CD1-CD2 4.29Å
471	R	95.1	Very high	92.7	Very high	65 Å²	65	55.5 Å²	55.5	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-50.5	173.9	178.5	178.2	55	164.6	-4.3	112	L459 H467 D468 E469 R473 L474 L475 L549 C551	L459-R471 HydrophobicContact CD1-CB 4.04Å; H467-R471 WeakPolarHBondContact O-CB 3.46Å; H467-R471 PolarHBondContact O-N 3.2Å; D468-R471 IonicContact OD1-CZ 3.94Å; D468-R471 IonicContact OD1-NE 3.02Å; D468-R471 IonicContact OD1-NH2 2.66Å; D468-R471 PolarHBondContact OD1-NH2 2.81Å; E469-R471 VanDerWaalsContact C-N 3.3Å; E469-R471 PolarHBondContact O-N 3.36Å; R471-R473 VanDerWaalsContact C-N 3.28Å; R471-R473 PolarHBondContact O-N 2.91Å; R471-L474 PolarHBondContact O-N 2.89Å; R471-L475 HydrophobicContact CG-CD1 3.99Å; R471-L475 WeakPolarHBondContact O-CG 3.48Å; R471-L475 PolarHBondContact O-N 3.24Å; R471-L475 VanDerWaalsContact O-N 3.1Å; R471-L549 HydrophobicContact CG-CB 4.43Å; R471-L549 HydrophobicContact CG-CD1 4.34Å; R471-C551 WeakPolarHBondContact CD-SG 3.44Å; R471-C551 VanDerWaalsContact CZ-SG 3.52Å; R471-C551 PolarHBondContact NE-SG 3.29Å
472	R	94.7	Very high	92.8	Very high	131 Å²	131	55 Å²	55	49%	0.494	29%	0.29	S	S	.	.	H	α-helix	trans	-59.6	-42.3	-179.7	-82.9	-168.8	-75.5	105.6	-5	111.2	D468 E469 L475 S476	D468-R472 PolarHBondContact O-N 3.39Å; E469-R472 VanDerWaalsContact CD-NH1 3.31Å; E469-R472 PolarHBondContact O-N 2.78Å; E469-R472 VanDerWaalsContact O-N 3.11Å; E469-R472 IonicContact OE1-CZ 3.76Å; E469-R472 IonicContact OE1-NH1 3.39Å; E469-R472 PolarHBondContact OE1-NH1 3.07Å; E469-R472 VanDerWaalsContact OE1-NH1 3.1Å; E469-R472 IonicContact OE2-CZ 2.7Å; E469-R472 IonicContact OE2-NH1 2.85Å; E469-R472 PolarHBondContact OE2-NH1 3.15Å; E469-R472 IonicContact OE2-NH2 3.78Å; E469-R472 PolarHBondContact OE2-NH2 3.25Å; R472-L475 PolarHBondContact O-N 2.98Å; R472-S476 PolarHBondContact O-N 3.25Å; R472-S476 PolarHBondContact O-OG 3.28Å
473	R	95.1	Very high	92.9	Very high	65 Å²	65	55.2 Å²	55.2	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-64	-41.9	179.1	-170	174.6	175.5	174.2	8.4	112.6	E469 L470 R471 S476 L477 D624 F627	E469-R473 WeakPolarHBondContact O-CB 3.38Å; E469-R473 PolarHBondContact O-N 3.48Å; L470-R473 PolarHBondContact O-N 3.39Å; R471-R473 VanDerWaalsContact C-N 3.28Å; R471-R473 PolarHBondContact O-N 2.91Å; R473-S476 WeakPolarHBondContact CA-OG 3.41Å; R473-S476 PolarHBondContact O-N 2.93Å; R473-S476 PolarHBondContact O-OG 3.22Å; R473-L477 HydrophobicContact CG-CD1 3.7Å; R473-L477 HydrophobicContact CG-CG 4.41Å; R473-L477 WeakPolarHBondContact O-CB 3.42Å; R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.77Å; R473-D624 IonicContact CZ-OD1 3.92Å; R473-D624 IonicContact NH1-OD1 3.1Å; R473-D624 PolarHBondContact NH1-OD1 2.86Å; R473-D624 IonicContact NH2-OD1 2.6Å; R473-D624 PolarHBondContact NH2-OD1 3.39Å; R473-F627 HydrophobicContact CB-CD2 4.05Å; R473-F627 HydrophobicContact CB-CE2 3.9Å; R473-F627 VanDerWaalsContact CD-CD2 3.49Å; R473-F627 HydrophobicContact CG-CD2 3.75Å; R473-F627 HydrophobicContact CG-CE2 3.54Å; R473-F627 HydrophobicContact CG-CG 4.36Å; R473-F627 HydrophobicContact CG-CZ 4.03Å
474	L	95.1	Very high	93.2	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-47	173.9	-73.6	172.2	0	0	0	111.5	L470 R471 S476 L477 E478 F482 L549 F627 L630 L631	L470-L474 WeakPolarHBondContact O-CG 3.3Å; L470-L474 PolarHBondContact O-N 3.37Å; R471-L474 PolarHBondContact O-N 2.89Å; L474-S476 VanDerWaalsContact C-N 3.3Å; L474-S476 PolarHBondContact O-N 3.37Å; L474-L477 PolarHBondContact O-N 2.89Å; L474-E478 PolarHBondContact O-N 2.82Å; L474-E478 VanDerWaalsContact O-N 3.15Å; L474-F482 HydrophobicContact CB-CD2 4.08Å; L474-F482 HydrophobicContact CB-CE2 4.19Å; L474-F482 HydrophobicContact CB-CG 4.37Å; L474-F482 HydrophobicContact CD2-CE2 3.82Å; L474-F482 HydrophobicContact CD2-CZ 3.83Å; L474-F482 WeakPolarHBondContact O-CD2 3.41Å; L474-L549 HydrophobicContact CB-CD1 3.75Å; L474-L549 HydrophobicContact CD1-CD1 4.03Å; L474-L549 HydrophobicContact CD1-CD2 4.07Å; L474-F627 HydrophobicContact CB-CE2 4.5Å; L474-F627 HydrophobicContact CD2-CD2 4.41Å; L474-F627 HydrophobicContact CD2-CE2 3.53Å; L474-F627 HydrophobicContact CD2-CZ 3.94Å; L474-F627 HydrophobicContact CG-CD2 4.5Å; L474-F627 HydrophobicContact CG-CE2 3.77Å; L474-L630 HydrophobicContact CD1-CD2 3.73Å; L474-L630 HydrophobicContact CD1-CG 4.27Å; L474-L631 HydrophobicContact CD2-CD1 4.15Å
475	L	94.9	Very high	93.6	Very high	48 Å²	48	52.1 Å²	52.1	25%	0.251	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-34.4	179.1	-69.9	166.8	0	0	0	112.8	R471 R472 F482 V484 L549	R471-L475 HydrophobicContact CG-CD1 3.99Å; R471-L475 WeakPolarHBondContact O-CG 3.48Å; R471-L475 PolarHBondContact O-N 3.24Å; R471-L475 VanDerWaalsContact O-N 3.1Å; R472-L475 PolarHBondContact O-N 2.98Å; L475-F482 HydrophobicContact CD2-CB 3.99Å; L475-V484 HydrophobicContact CD1-CG2 3.52Å; L475-V484 HydrophobicContact CD2-CG2 3.76Å; L475-V484 HydrophobicContact CG-CG2 4.28Å; L475-L549 HydrophobicContact CD2-CD1 4.01Å; L475-L549 HydrophobicContact CG-CD1 3.94Å
476	S	94.9	Very high	93.9	Very high	85 Å²	85	53.5 Å²	53.5	59%	0.594	28%	0.278	S	S	*	.	H	α-helix	trans	-79.3	-34.7	-179	61.5	0	0	0	0	113.5	R472 R473 L474	R472-S476 PolarHBondContact O-N 3.25Å; R472-S476 PolarHBondContact O-OG 3.28Å; R473-S476 WeakPolarHBondContact CA-OG 3.41Å; R473-S476 PolarHBondContact O-N 2.93Å; R473-S476 PolarHBondContact O-OG 3.22Å; L474-S476 VanDerWaalsContact C-N 3.3Å; L474-S476 PolarHBondContact O-N 3.37Å
477	L	92.1	Very high	94.2	Very high	101 Å²	101	54.2 Å²	54.2	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-83.7	-39	-174.8	-73.2	171.9	0	0	0	112.6	R473 L474 F627	R473-L477 HydrophobicContact CG-CD1 3.7Å; R473-L477 HydrophobicContact CG-CG 4.41Å; R473-L477 WeakPolarHBondContact O-CB 3.42Å; R473-L477 WeakPolarHBondContact O-CG 3.37Å; R473-L477 PolarHBondContact O-N 2.77Å; L474-L477 PolarHBondContact O-N 2.89Å; L477-F627 HydrophobicContact CD1-CE1 3.68Å; L477-F627 HydrophobicContact CD1-CE2 4.23Å; L477-F627 HydrophobicContact CD1-CZ 3.4Å; L477-F627 VanDerWaalsContact CD1-CZ 3.4Å
478	E	90.9	Very high	94.5	Very high	71 Å²	71	54.4 Å²	54.4	33%	0.332	28%	0.28	S	S	.	.			trans	-128.2	67.4	-179.3	-58.2	-167.6	114.5	0	0	111.6	L474 D480 K481 F482	L474-E478 PolarHBondContact O-N 2.82Å; L474-E478 VanDerWaalsContact O-N 3.15Å; E478-D480 PolarHBondContact O-N 3.42Å; E478-K481 HydrophobicContact CB-CB 4.03Å; E478-K481 HydrophobicContact CB-CD 4.42Å; E478-K481 PolarHBondContact O-N 2.96Å; E478-K481 VanDerWaalsContact O-N 3.11Å; E478-K481 IonicContact OE1-NZ 2.66Å; E478-K481 WeakPolarHBondContact OE2-CD 3.42Å; E478-K481 IonicContact OE2-NZ 3.64Å; E478-K481 PolarHBondContact OE2-NZ 3.47Å; E478-F482 HydrophobicContact CB-CD2 3.8Å; E478-F482 HydrophobicContact CB-CE2 3.89Å; E478-F482 HydrophobicContact CG-CE2 4.44Å; E478-F482 WeakPolarHBondContact O-CD2 3.35Å; E478-F482 PolarHBondContact O-N 3.27Å; E478-F482 VanDerWaalsContact OE2-CE2 3.3Å; E478-F482 WeakPolarHBondContact OE2-CE2 3.37Å
479	P	91.6	Very high	94.8	Very high	72 Å²	72	51 Å²	51	47%	0.468	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.4	-174.6	27.3	-36.1	0	0	0	114
480	D	92.2	Very high	95.1	Very high	147 Å²	147	49 Å²	49	79%	0.786	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-25.8	177.7	-63.8	-34.4	0	0	0	112.1	E478 R546	E478-D480 PolarHBondContact O-N 3.42Å; D480-R546 WeakPolarHBondContact O-CD 3.48Å; D480-R546 WeakPolarHBondContact O-CG 3.4Å
481	K	94.4	Very high	95.2	Very high	48 Å²	48	50.3 Å²	50.3	21%	0.209	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-39.8	-176.9	-173.8	-177.7	176.8	-176.7	0	112.1	E478 R546 I547 D635	E478-K481 HydrophobicContact CB-CB 4.03Å; E478-K481 HydrophobicContact CB-CD 4.42Å; E478-K481 PolarHBondContact O-N 2.96Å; E478-K481 VanDerWaalsContact O-N 3.11Å; E478-K481 IonicContact OE1-NZ 2.66Å; E478-K481 WeakPolarHBondContact OE2-CD 3.42Å; E478-K481 IonicContact OE2-NZ 3.64Å; E478-K481 PolarHBondContact OE2-NZ 3.47Å; K481-R546 WeakPolarHBondContact O-CB 3.47Å; K481-I547 HydrophobicContact CD-CD1 4.46Å; K481-I547 HydrophobicContact CG-CD1 4.01Å; K481-I547 PolarHBondContact O-N 3.36Å; K481-D635 IonicContact NZ-OD1 2.73Å; K481-D635 PolarHBondContact NZ-OD1 3.38Å
482	F	96.6	Very high	95.2	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.2	-176.4	-61.2	-71.9	0	0	0	112.6	L474 L475 E478 I547 L549 L631 V634	L474-F482 HydrophobicContact CB-CD2 4.08Å; L474-F482 HydrophobicContact CB-CE2 4.19Å; L474-F482 HydrophobicContact CB-CG 4.37Å; L474-F482 HydrophobicContact CD2-CE2 3.82Å; L474-F482 HydrophobicContact CD2-CZ 3.83Å; L474-F482 WeakPolarHBondContact O-CD2 3.41Å; L475-F482 HydrophobicContact CD2-CB 3.99Å; E478-F482 HydrophobicContact CB-CD2 3.8Å; E478-F482 HydrophobicContact CB-CE2 3.89Å; E478-F482 HydrophobicContact CG-CE2 4.44Å; E478-F482 WeakPolarHBondContact O-CD2 3.35Å; E478-F482 PolarHBondContact O-N 3.27Å; E478-F482 VanDerWaalsContact OE2-CE2 3.3Å; E478-F482 WeakPolarHBondContact OE2-CE2 3.37Å; F482-I547 WeakPolarHBondContact CA-O 3.29Å; F482-I547 HydrophobicContact CD1-CB 3.74Å; F482-I547 HydrophobicContact CD1-CD1 4.32Å; F482-I547 HydrophobicContact CD1-CG2 3.87Å; F482-I547 HydrophobicContact CE1-CB 3.98Å; F482-I547 HydrophobicContact CE1-CD1 3.75Å; F482-I547 HydrophobicContact CE1-CG1 4.46Å; F482-I547 HydrophobicContact CE1-CG2 3.92Å; F482-I547 HydrophobicContact CZ-CD1 4.36Å; F482-L549 HydrophobicContact CB-CD1 3.81Å; F482-L549 HydrophobicContact CB-CG 4.23Å; F482-L549 HydrophobicContact CD1-CD1 3.79Å; F482-L549 HydrophobicContact CD1-CD2 3.79Å; F482-L549 HydrophobicContact CD1-CG 3.76Å; F482-L549 HydrophobicContact CE1-CD2 4.14Å; F482-L549 HydrophobicContact CG-CD1 3.91Å; F482-L549 HydrophobicContact CG-CG 4.3Å; F482-L631 HydrophobicContact CZ-CD1 4.37Å; F482-V634 HydrophobicContact CE1-CG1 3.93Å; F482-V634 HydrophobicContact CZ-CG1 4.05Å
483	A	96.2	Very high	95.2	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	161.6	173	0	0	0	0	0	111.5	V541 R546 I547 C548 L549	A483-V541 HydrophobicContact CB-CG1 3.67Å; A483-R546 HydrophobicContact CB-CB 4.35Å; A483-R546 VanDerWaalsContact CB-CZ 3.49Å; A483-I547 PolarHBondContact N-O 2.94Å; A483-C548 CarbonylContact O-C 3.6Å; A483-C548 WeakPolarHBondContact O-CA 3.34Å; A483-L549 PolarHBondContact O-N 3.25Å
484	V	96.1	Very high	95.2	Very high	64 Å²	64	52.1 Å²	52.1	39%	0.388	29%	0.289	S	S	.	.			trans	-108.5	141.3	176.2	-174	0	0	0	0	109.1	L475	L475-V484 HydrophobicContact CD1-CG2 3.52Å; L475-V484 HydrophobicContact CD2-CG2 3.76Å; L475-V484 HydrophobicContact CG-CG2 4.28Å
485	A	96.1	Very high	95.2	Very high	5 Å²	5	60.8 Å²	60.8	4%	0.041	33%	0.334	C	S	.	.			trans	-67.5	133.1	172.5	0	0	0	0	0	110.5	P487 T533 V538 L550	A485-P487 WeakPolarHBondContact O-CD 3.45Å; A485-T533 HydrophobicContact CB-CG2 4.04Å; A485-V538 HydrophobicContact CB-CG2 3.93Å; A485-L550 HydrophobicContact CB-CD2 4.33Å
486	V	96.4	Very high	95.1	Very high	31 Å²	31	65 Å²	65	19%	0.188	35%	0.352	C	S	.	.			trans	-71.5	114.1	177.1	-176.5	0	0	0	0	109.2	S537	V486-S537 VanDerWaalsContact O-CB 3.24Å; V486-S537 WeakPolarHBondContact O-CB 3.44Å; V486-S537 PolarHBondContact O-OG 2.99Å
487	P	96.4	Very high	95.1	Very high	30 Å²	30	62.2 Å²	62.2	20%	0.195	33%	0.33	C	S	.	.			trans	-78.4	165.5	-178.5	31.8	-32.7	0	0	0	111.6	A485 Y503 H504 G532	A485-P487 WeakPolarHBondContact O-CD 3.45Å; P487-Y503 HydrophobicContact CB-CD1 4.28Å; P487-Y503 HydrophobicContact CB-CE1 4.36Å; P487-Y503 HydrophobicContact CG-CD1 3.58Å; P487-Y503 HydrophobicContact CG-CE1 3.53Å; P487-Y503 HydrophobicContact CG-CG 4.49Å; P487-Y503 CarbonylContact O-C 3.46Å; P487-Y503 VanDerWaalsContact O-CA 3.28Å; P487-Y503 WeakPolarHBondContact O-CA 3.1Å; P487-H504 PolarHBondContact O-N 2.92Å; P487-G532 CarbonylContact C-O 3.51Å; P487-G532 WeakPolarHBondContact CA-O 3.38Å; P487-G532 WeakPolarHBondContact CB-O 3.39Å
488	H	97.7	Very high	95.2	Very high	25 Å²	25	66.1 Å²	66.1	12%	0.116	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.8	174.2	-64.9	55.3	0	0	0	110.1	H504 V506 F511 F520 Y531 G532 S537	H488-H504 CarbonylContact C-O 3.42Å; H488-H504 VanDerWaalsContact CA-O 3.31Å; H488-H504 WeakPolarHBondContact CA-O 3.44Å; H488-H504 HydrophobicContact CB-CB 4.4Å; H488-H504 AromaticContact CE1-CD2 3.64Å; H488-H504 AromaticContact CE1-CG 3.97Å; H488-H504 AromaticContact NE2-CG 3.96Å; H488-V506 HydrophobicContact CB-CG2 4.42Å; H488-F511 HydrophobicContact CB-CD2 4.12Å; H488-F511 HydrophobicContact CB-CE2 3.91Å; H488-F520 HydrophobicContact CB-CE1 3.83Å; H488-F520 HydrophobicContact CB-CZ 3.96Å; H488-F520 AromaticContact CG-CE1 3.86Å; H488-Y531 VanDerWaalsContact O-CA 3.32Å; H488-Y531 WeakPolarHBondContact O-CA 3.47Å; H488-G532 PolarHBondContact N-O 2.97Å; H488-G532 PolarHBondContact O-N 3.02Å; H488-S537 PolarHBondContact CE1-OG 3.48Å
489	T	97.7	Very high	95.4	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	149.7	172	-171.2	0	0	0	0	112.5	R491 Y503 H504 F505 V506 L530 Y531	T489-R491 HydrophobicContact CG2-CB 4.23Å; T489-R491 WeakPolarHBondContact OG1-CB 3.4Å; T489-R491 PolarHBondContact OG1-N 3.49Å; T489-Y503 HydrophobicContact CG2-CD1 3.78Å; T489-Y503 HydrophobicContact CG2-CD2 4.49Å; T489-Y503 HydrophobicContact CG2-CG 3.72Å; T489-H504 PolarHBondContact N-O 2.99Å; T489-F505 HydrophobicContact CG2-CD1 3.45Å; T489-F505 VanDerWaalsContact CG2-CD1 3.45Å; T489-F505 HydrophobicContact CG2-CE1 3.64Å; T489-F505 HydrophobicContact CG2-CG 4.41Å; T489-V506 PolarHBondContact O-N 3.49Å; T489-L530 VanDerWaalsContact CA-O 3.23Å; T489-L530 WeakPolarHBondContact CA-O 3.37Å; T489-L530 PolarHBondContact OG1-O 2.91Å; T489-Y531 WeakPolarHBondContact OG1-CD1 3.49Å; T489-Y531 WeakPolarHBondContact OG1-CE1 3.32Å
490	T	97.6	Very high	95.3	Very high	24 Å²	24	66.1 Å²	66.1	15%	0.147	34%	0.344	C	S	.	.	S	Bend	trans	-89.6	-5.9	170.5	67.1	0	0	0	0	113.5	V506 R508 F511 N529 L530	T490-V506 WeakPolarHBondContact CA-O 3.43Å; T490-R508 HydrophobicContact CG2-CB 4.09Å; T490-R508 HydrophobicContact CG2-CG 4.39Å; T490-F511 HydrophobicContact CG2-CB 3.7Å; T490-F511 HydrophobicContact CG2-CD2 4.09Å; T490-F511 HydrophobicContact CG2-CG 3.96Å; T490-N529 WeakPolarHBondContact OG1-CA 3.33Å; T490-L530 HydrophobicContact CG2-CB 3.8Å; T490-L530 HydrophobicContact CG2-CD1 4.22Å; T490-L530 HydrophobicContact CG2-CG 4.22Å; T490-L530 PolarHBondContact N-O 3.46Å; T490-L530 PolarHBondContact OG1-N 2.83Å
491	R	97	Very high	95.2	Very high	31 Å²	31	67.3 Å²	67.3	12%	0.117	34%	0.337	C	S	.	.	S	Bend	trans	-66.7	148.2	175.9	-167.7	-166.1	69.6	-160	-2.3	109.5	T489 E497 F505 N529	T489-R491 HydrophobicContact CG2-CB 4.23Å; T489-R491 WeakPolarHBondContact OG1-CB 3.4Å; T489-R491 PolarHBondContact OG1-N 3.49Å; R491-E497 IonicContact CZ-OE1 3.78Å; R491-E497 IonicContact CZ-OE2 3.97Å; R491-E497 IonicContact NH2-OE1 2.61Å; R491-E497 PolarHBondContact NH2-OE1 3.43Å; R491-E497 IonicContact NH2-OE2 2.97Å; R491-E497 PolarHBondContact NH2-OE2 3.37Å; R491-F505 VanDerWaalsContact O-CD1 3.28Å; R491-F505 WeakPolarHBondContact O-CD1 3.49Å; R491-N529 WeakPolarHBondContact CA-OD1 3.27Å; R491-N529 HydrophobicContact CB-CB 4.1Å
492	S	95	Very high	95.1	Very high	92 Å²	92	67.7 Å²	67.7	64%	0.643	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-64.8	146.9	167.7	46.9	0	0	0	0	111.9
493	P	95.8	Very high	95.1	Very high	73 Å²	73	70.4 Å²	70.4	47%	0.474	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-66.3	140.8	175	26.4	-33.4	0	0	0	111.3	F505	P493-F505 VanDerWaalsContact CA-CE1 3.49Å; P493-F505 HydrophobicContact CB-CD1 4.01Å; P493-F505 HydrophobicContact CB-CD2 3.87Å; P493-F505 HydrophobicContact CB-CE1 3.86Å; P493-F505 HydrophobicContact CB-CE2 3.72Å; P493-F505 HydrophobicContact CB-CG 4.01Å; P493-F505 HydrophobicContact CB-CZ 3.7Å; P493-F505 HydrophobicContact CG-CG 4.39Å
494	R	95.1	Very high	95.2	Very high	134 Å²	134	72.9 Å²	72.9	51%	0.506	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-80.3	163	170.2	-61.1	174.5	175.9	171.2	-2	110.3	H496 E497	R494-H496 PolarHBondContact O-N 3.49Å; R494-E497 HydrophobicContact CB-CG 4.03Å; R494-E497 WeakPolarHBondContact CB-OE2 3.43Å; R494-E497 WeakPolarHBondContact CG-OE2 3.38Å; R494-E497 PolarHBondContact N-OE2 2.82Å; R494-E497 PolarHBondContact O-N 2.89Å
495	I	94.1	Very high	95.2	Very high	183 Å²	183	71.5 Å²	71.5	94%	0.938	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-33.9	-174.3	-59.6	170.1	0	0	0	113.1
496	H	93.8	Very high	95.3	Very high	137 Å²	137	73 Å²	73	63%	0.634	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-1.3	-178	55.1	-89.1	0	0	0	114.1	R494	R494-H496 PolarHBondContact O-N 3.49Å
497	E	95.3	Very high	95.4	Very high	27 Å²	27	74.5 Å²	74.5	13%	0.126	37%	0.37	C	S	.	.			trans	-96.9	144.4	-177.8	-66	173.6	156.8	0	0	110.8	R491 R494 E502 F505	R491-E497 IonicContact CZ-OE1 3.78Å; R491-E497 IonicContact CZ-OE2 3.97Å; R491-E497 IonicContact NH2-OE1 2.61Å; R491-E497 PolarHBondContact NH2-OE1 3.43Å; R491-E497 IonicContact NH2-OE2 2.97Å; R491-E497 PolarHBondContact NH2-OE2 3.37Å; R494-E497 HydrophobicContact CB-CG 4.03Å; R494-E497 WeakPolarHBondContact CB-OE2 3.43Å; R494-E497 WeakPolarHBondContact CG-OE2 3.38Å; R494-E497 PolarHBondContact N-OE2 2.82Å; R494-E497 PolarHBondContact O-N 2.89Å; E497-E502 HydrophobicContact CG-CB 4.4Å; E497-E502 HydrophobicContact CG-CG 4.34Å; E497-F505 HydrophobicContact CB-CE2 4.29Å; E497-F505 HydrophobicContact CB-CZ 3.91Å; E497-F505 WeakPolarHBondContact OE2-CZ 3.46Å
498	R	94	Very high	95.4	Very high	182 Å²	182	78.2 Å²	78.2	69%	0.687	38%	0.38	S	S	*	.			trans	-120	136.9	178.9	-64.5	-175.5	-179.4	-178	0.6	110.2	G500 R501 E502	R498-G500 PolarHBondContact O-N 3.28Å; R498-R501 HydrophobicContact CB-CB 4.28Å; R498-R501 PolarHBondContact O-N 2.89Å; R498-R501 VanDerWaalsContact O-N 3.15Å; R498-E502 PolarHBondContact N-OE2 2.87Å; R498-E502 PolarHBondContact O-N 2.81Å
499	N	93.8	Very high	95.4	Very high	109 Å²	109	81 Å²	81	58%	0.583	40%	0.402	S	S	*	.	B	Isolated β-bridge	trans	-62	131.7	175.7	-171.4	48.5	0	0	0	110.9	R501 Y503 H504 F505	N499-R501 VanDerWaalsContact C-N 3.3Å; N499-Y503 WeakPolarHBondContact CA-O 3.37Å; N499-Y503 PolarHBondContact OD1-O 2.87Å; N499-H504 WeakPolarHBondContact OD1-CA 3.24Å; N499-F505 HydrophobicContact CB-CD2 4Å; N499-F505 PolarHBondContact OD1-N 2.88Å
500	G	89.8	Confident	95.4	Very high	35 Å²	35	83.3 Å²	83.3	36%	0.361	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	2.4	-177.6	0	0	0	0	0	115	R498 Y503	R498-G500 PolarHBondContact O-N 3.28Å; G500-Y503 PolarHBondContact N-O 3.28Å
501	R	90	Very high	95.4	Very high	171 Å²	171	82.2 Å²	82.2	65%	0.645	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-66.6	172.6	-175.7	179.9	-176.7	-133.9	10.4	111.3	R498 N499	R498-R501 HydrophobicContact CB-CB 4.28Å; R498-R501 PolarHBondContact O-N 2.89Å; R498-R501 VanDerWaalsContact O-N 3.15Å; N499-R501 VanDerWaalsContact C-N 3.3Å
502	E	93	Very high	95.4	Very high	56 Å²	56	85.1 Å²	85.1	26%	0.262	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-45	177.9	-67	75.7	-159.9	0	0	111	E497 R498	E497-E502 HydrophobicContact CG-CB 4.4Å; E497-E502 HydrophobicContact CG-CG 4.34Å; R498-E502 PolarHBondContact N-OE2 2.87Å; R498-E502 PolarHBondContact O-N 2.81Å
503	Y	96.6	Very high	95.5	Very high	61 Å²	61	83.5 Å²	83.5	24%	0.239	42%	0.419	C	S	.	.	B	Isolated β-bridge	trans	-146.4	157.9	175.5	-66.3	-92.9	0	0	0	111.2	P487 T489 N499 G500 F505 Y531	P487-Y503 HydrophobicContact CB-CD1 4.28Å; P487-Y503 HydrophobicContact CB-CE1 4.36Å; P487-Y503 HydrophobicContact CG-CD1 3.58Å; P487-Y503 HydrophobicContact CG-CE1 3.53Å; P487-Y503 HydrophobicContact CG-CG 4.49Å; P487-Y503 CarbonylContact O-C 3.46Å; P487-Y503 VanDerWaalsContact O-CA 3.28Å; P487-Y503 WeakPolarHBondContact O-CA 3.1Å; T489-Y503 HydrophobicContact CG2-CD1 3.78Å; T489-Y503 HydrophobicContact CG2-CD2 4.49Å; T489-Y503 HydrophobicContact CG2-CG 3.72Å; N499-Y503 WeakPolarHBondContact CA-O 3.37Å; N499-Y503 PolarHBondContact OD1-O 2.87Å; G500-Y503 PolarHBondContact N-O 3.28Å; Y503-F505 HydrophobicContact CD2-CE1 4.34Å; Y503-F505 HydrophobicContact CD2-CZ 4.14Å; Y503-F505 HydrophobicContact CG-CE1 4.39Å; Y503-F505 HydrophobicContact CG-CZ 4.39Å; Y503-Y531 HydrophobicContact CD1-CD1 4.34Å; Y503-Y531 AromaticContact CE1-CD1 3.73Å; Y503-Y531 HydrophobicContact CE1-CD1 3.73Å; Y503-Y531 AromaticContact CE1-CE1 3.93Å; Y503-Y531 HydrophobicContact CE1-CE1 3.93Å
504	H	97.2	Very high	95.6	Very high	61 Å²	61	81.4 Å²	81.4	28%	0.282	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	104.8	155	-69.6	-71.8	0	0	0	108.9	P487 H488 T489 N499 V506	P487-H504 PolarHBondContact O-N 2.92Å; H488-H504 CarbonylContact C-O 3.42Å; H488-H504 VanDerWaalsContact CA-O 3.31Å; H488-H504 WeakPolarHBondContact CA-O 3.44Å; H488-H504 HydrophobicContact CB-CB 4.4Å; H488-H504 AromaticContact CE1-CD2 3.64Å; H488-H504 AromaticContact CE1-CG 3.97Å; H488-H504 AromaticContact NE2-CG 3.96Å; T489-H504 PolarHBondContact N-O 2.99Å; N499-H504 WeakPolarHBondContact OD1-CA 3.24Å; H504-V506 PolarHBondContact O-N 3.3Å
505	F	97.4	Very high	95.6	Very high	34 Å²	34	78.5 Å²	78.5	15%	0.149	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.7	178.9	-60.9	-77.4	0	0	0	109.2	T489 R491 P493 E497 N499 Y503	T489-F505 HydrophobicContact CG2-CD1 3.45Å; T489-F505 VanDerWaalsContact CG2-CD1 3.45Å; T489-F505 HydrophobicContact CG2-CE1 3.64Å; T489-F505 HydrophobicContact CG2-CG 4.41Å; R491-F505 VanDerWaalsContact O-CD1 3.28Å; R491-F505 WeakPolarHBondContact O-CD1 3.49Å; P493-F505 VanDerWaalsContact CA-CE1 3.49Å; P493-F505 HydrophobicContact CB-CD1 4.01Å; P493-F505 HydrophobicContact CB-CD2 3.87Å; P493-F505 HydrophobicContact CB-CE1 3.86Å; P493-F505 HydrophobicContact CB-CE2 3.72Å; P493-F505 HydrophobicContact CB-CG 4.01Å; P493-F505 HydrophobicContact CB-CZ 3.7Å; P493-F505 HydrophobicContact CG-CG 4.39Å; E497-F505 HydrophobicContact CB-CE2 4.29Å; E497-F505 HydrophobicContact CB-CZ 3.91Å; E497-F505 WeakPolarHBondContact OE2-CZ 3.46Å; N499-F505 HydrophobicContact CB-CD2 4Å; N499-F505 PolarHBondContact OD1-N 2.88Å; Y503-F505 HydrophobicContact CD2-CE1 4.34Å; Y503-F505 HydrophobicContact CD2-CZ 4.14Å; Y503-F505 HydrophobicContact CG-CE1 4.39Å; Y503-F505 HydrophobicContact CG-CZ 4.39Å
506	V	97.5	Very high	95.7	Very high	37 Å²	37	74.3 Å²	74.3	22%	0.224	39%	0.39	C	S	.	.			trans	-126.4	160.1	-174.8	-63.9	0	0	0	0	111.1	H488 T489 T490 H504 F511	H488-V506 HydrophobicContact CB-CG2 4.42Å; T489-V506 PolarHBondContact O-N 3.49Å; T490-V506 WeakPolarHBondContact CA-O 3.43Å; H504-V506 PolarHBondContact O-N 3.3Å; V506-F511 HydrophobicContact CG2-CB 4.04Å; V506-F511 HydrophobicContact CG2-CD2 3.98Å
507	S	97.7	Very high	95.8	Very high	63 Å²	63	70.9 Å²	70.9	44%	0.441	39%	0.386	S	S	.	.			trans	-69.7	154.3	171.7	69.6	0	0	0	0	110.8	S509 S510 F511	S507-S509 VanDerWaalsContact C-N 3.26Å; S507-S509 PolarHBondContact O-N 2.8Å; S507-S509 PolarHBondContact OG-OG 3.49Å; S507-S510 PolarHBondContact O-N 2.96Å; S507-S510 WeakPolarHBondContact OG-CB 3.37Å; S507-S510 PolarHBondContact OG-N 3.3Å; S507-S510 VanDerWaalsContact OG-N 3.11Å; S507-F511 PolarHBondContact O-N 3.24Å
508	R	97.1	Very high	95.7	Very high	107 Å²	107	72.2 Å²	72.2	40%	0.404	41%	0.407	S	S	.	.	H	α-helix	trans	-57	-40.2	173.7	-171.4	173.2	-172.4	131.2	2.8	112.3	T490 S510 F511 E512 E525 K528 L530	T490-R508 HydrophobicContact CG2-CB 4.09Å; T490-R508 HydrophobicContact CG2-CG 4.39Å; R508-S510 PolarHBondContact O-N 3.37Å; R508-F511 PolarHBondContact O-N 3.36Å; R508-E512 HydrophobicContact CG-CG 4.37Å; R508-E512 WeakPolarHBondContact CG-OE1 3.31Å; R508-E512 IonicContact CZ-OE1 3.22Å; R508-E512 IonicContact NE-OE1 2.87Å; R508-E512 PolarHBondContact NE-OE1 3.3Å; R508-E512 WeakPolarHBondContact O-CB 3.43Å; R508-E512 WeakPolarHBondContact O-CG 3.42Å; R508-E512 PolarHBondContact O-N 3.25Å; R508-E525 IonicContact NH2-OE2 3.85Å; R508-K528 PolarHBondContact NH1-O 2.74Å; R508-L530 HydrophobicContact CG-CD1 4.14Å
509	S	97.7	Very high	95.7	Very high	84 Å²	84	68 Å²	68	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-62.5	-40.8	176.5	55.5	0	0	0	0	113.1	S507 A513	S507-S509 VanDerWaalsContact C-N 3.26Å; S507-S509 PolarHBondContact O-N 2.8Å; S507-S509 PolarHBondContact OG-OG 3.49Å; S509-A513 WeakPolarHBondContact O-CB 3.5Å; S509-A513 PolarHBondContact O-N 2.91Å
510	S	97.3	Very high	95.9	Very high	49 Å²	49	63.4 Å²	63.4	34%	0.343	37%	0.368	S	S	.	.	H	α-helix	trans	-67	-43.6	176	-170.7	0	0	0	0	111	S507 R508 E512 A513 D514	S507-S510 PolarHBondContact O-N 2.96Å; S507-S510 WeakPolarHBondContact OG-CB 3.37Å; S507-S510 PolarHBondContact OG-N 3.3Å; S507-S510 VanDerWaalsContact OG-N 3.11Å; R508-S510 PolarHBondContact O-N 3.37Å; S510-E512 PolarHBondContact O-N 3.36Å; S510-A513 PolarHBondContact O-N 2.86Å; S510-D514 PolarHBondContact O-N 2.84Å
511	F	98.3	Very high	96.2	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-46.7	178	-167.5	-73.8	0	0	0	111.4	H488 T490 V506 S507 R508 A513 D514 L515 F520 L530	H488-F511 HydrophobicContact CB-CD2 4.12Å; H488-F511 HydrophobicContact CB-CE2 3.91Å; T490-F511 HydrophobicContact CG2-CB 3.7Å; T490-F511 HydrophobicContact CG2-CD2 4.09Å; T490-F511 HydrophobicContact CG2-CG 3.96Å; V506-F511 HydrophobicContact CG2-CB 4.04Å; V506-F511 HydrophobicContact CG2-CD2 3.98Å; S507-F511 PolarHBondContact O-N 3.24Å; R508-F511 PolarHBondContact O-N 3.36Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 2.85Å; F511-D514 PolarHBondContact O-N 2.84Å; F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.25Å; F511-L515 PolarHBondContact O-N 3.38Å; F511-F520 HydrophobicContact CD1-CE2 4.06Å; F511-F520 HydrophobicContact CD1-CZ 4.46Å; F511-F520 HydrophobicContact CD2-CE2 4.18Å; F511-F520 AromaticContact CD2-CZ 3.77Å; F511-F520 HydrophobicContact CD2-CZ 3.77Å; F511-F520 HydrophobicContact CE1-CD2 4.29Å; F511-F520 AromaticContact CE1-CE2 3.88Å; F511-F520 HydrophobicContact CE1-CE2 3.88Å; F511-F520 HydrophobicContact CE1-CZ 4.23Å; F511-F520 AromaticContact CE2-CE1 3.95Å; F511-F520 HydrophobicContact CE2-CE1 3.95Å; F511-F520 HydrophobicContact CE2-CE2 4.02Å; F511-F520 AromaticContact CE2-CZ 3.52Å; F511-F520 HydrophobicContact CE2-CZ 3.52Å; F511-F520 HydrophobicContact CG-CE2 4.19Å; F511-F520 HydrophobicContact CG-CZ 4.24Å; F511-F520 HydrophobicContact CZ-CD2 4.33Å; F511-F520 HydrophobicContact CZ-CE1 4.11Å; F511-F520 AromaticContact CZ-CE2 3.86Å; F511-F520 HydrophobicContact CZ-CE2 3.86Å; F511-F520 AromaticContact CZ-CZ 3.75Å; F511-F520 HydrophobicContact CZ-CZ 3.75Å; F511-L530 HydrophobicContact CB-CD1 4.5Å; F511-L530 HydrophobicContact CD1-CB 3.8Å; F511-L530 HydrophobicContact CD1-CD1 3.55Å; F511-L530 HydrophobicContact CD1-CG 4.31Å; F511-L530 HydrophobicContact CD2-CB 4.29Å; F511-L530 HydrophobicContact CE1-CB 3.7Å; F511-L530 HydrophobicContact CE1-CD1 4.05Å; F511-L530 HydrophobicContact CE1-CG 4.44Å; F511-L530 HydrophobicContact CE2-CB 4.19Å; F511-L530 HydrophobicContact CG-CB 4.11Å; F511-L530 HydrophobicContact CG-CD1 4.17Å; F511-L530 HydrophobicContact CZ-CB 3.91Å
512	E	97.3	Very high	96.4	Very high	92 Å²	92	56.3 Å²	56.3	43%	0.43	33%	0.333	S	S	.	.	H	α-helix	trans	-64.9	-35.7	178.4	-73.2	171.5	-178.5	0	0	111.9	R508 S510 L515 A516 L530	R508-E512 HydrophobicContact CG-CG 4.37Å; R508-E512 WeakPolarHBondContact CG-OE1 3.31Å; R508-E512 IonicContact CZ-OE1 3.22Å; R508-E512 IonicContact NE-OE1 2.87Å; R508-E512 PolarHBondContact NE-OE1 3.3Å; R508-E512 WeakPolarHBondContact O-CB 3.43Å; R508-E512 WeakPolarHBondContact O-CG 3.42Å; R508-E512 PolarHBondContact O-N 3.25Å; S510-E512 PolarHBondContact O-N 3.36Å; E512-L515 PolarHBondContact O-N 3.48Å; E512-A516 WeakPolarHBondContact O-CB 3.48Å; E512-A516 PolarHBondContact O-N 3Å; E512-L530 HydrophobicContact CG-CD1 4.12Å
513	A	97.7	Very high	96.5	Very high	58 Å²	58	56.1 Å²	56.1	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-65.1	-44.8	173	0	0	0	0	0	112.2	S509 S510 F511 L515 A516 A517	S509-A513 WeakPolarHBondContact O-CB 3.5Å; S509-A513 PolarHBondContact O-N 2.91Å; S510-A513 PolarHBondContact O-N 2.86Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 2.85Å; A513-L515 VanDerWaalsContact C-N 3.32Å; A513-L515 PolarHBondContact O-N 3.11Å; A513-A516 PolarHBondContact O-N 3.16Å; A513-A517 WeakPolarHBondContact O-CB 3.04Å; A513-A517 PolarHBondContact O-N 3.04Å
514	D	97	Very high	96.4	Very high	28 Å²	28	55.2 Å²	55.2	15%	0.15	35%	0.347	C	S	.	.	H	α-helix	trans	-67.5	-33.4	177.2	-73.2	-32	0	0	0	112.3	S510 F511 A517 G518 K519 F520	S510-D514 PolarHBondContact O-N 2.84Å; F511-D514 PolarHBondContact O-N 2.84Å; D514-A517 PolarHBondContact O-N 2.72Å; D514-G518 PolarHBondContact O-N 3.01Å; D514-K519 HydrophobicContact CB-CB 4.38Å; D514-K519 HydrophobicContact CB-CD 4.1Å; D514-K519 WeakPolarHBondContact O-CB 3.39Å; D514-K519 PolarHBondContact O-N 3.35Å; D514-K519 WeakPolarHBondContact OD1-CD 3.37Å; D514-K519 WeakPolarHBondContact OD1-CE 3.49Å; D514-K519 IonicContact OD1-NZ 2.72Å; D514-K519 PolarHBondContact OD1-NZ 3.27Å; D514-F520 HydrophobicContact CB-CD2 4.42Å; D514-F520 HydrophobicContact CB-CE2 3.7Å; D514-F520 HydrophobicContact CB-CZ 4.34Å
515	L	95.2	Very high	96.3	Very high	74 Å²	74	57.9 Å²	57.9	39%	0.387	36%	0.36	S	S	.	.	H	α-helix	trans	-65.5	-46.6	172.3	-176.4	63.6	0	0	0	111.5	F511 E512 A513 A517 G518 F520 S523	F511-L515 VanDerWaalsContact O-CB 3.32Å; F511-L515 WeakPolarHBondContact O-CB 3.25Å; F511-L515 PolarHBondContact O-N 3.38Å; E512-L515 PolarHBondContact O-N 3.48Å; A513-L515 VanDerWaalsContact C-N 3.32Å; A513-L515 PolarHBondContact O-N 3.11Å; L515-A517 PolarHBondContact O-N 3.2Å; L515-G518 PolarHBondContact O-N 3.47Å; L515-F520 HydrophobicContact CB-CD2 4.11Å; L515-F520 HydrophobicContact CB-CE2 4.48Å; L515-F520 HydrophobicContact CD1-CB 4.42Å; L515-F520 HydrophobicContact CD1-CD2 4.18Å; L515-S523 WeakPolarHBondContact CD1-OG 3.3Å
516	A	96	Very high	96.1	Very high	94 Å²	94	63.2 Å²	63.2	78%	0.777	38%	0.38	S	S	*	.	H	α-helix	trans	-63.6	-30.9	175.6	0	0	0	0	0	112.5	E512 A513 G518	E512-A516 WeakPolarHBondContact O-CB 3.48Å; E512-A516 PolarHBondContact O-N 3Å; A513-A516 PolarHBondContact O-N 3.16Å; A516-G518 PolarHBondContact O-N 2.97Å
517	A	95.4	Very high	96	Very high	66 Å²	66	67.6 Å²	67.6	55%	0.545	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.5	173.9	0	0	0	0	0	113.9	A513 D514 L515 K519	A513-A517 WeakPolarHBondContact O-CB 3.04Å; A513-A517 PolarHBondContact O-N 3.04Å; D514-A517 PolarHBondContact O-N 2.72Å; L515-A517 PolarHBondContact O-N 3.2Å; A517-K519 HydrophobicContact CB-CG 4.23Å; A517-K519 PolarHBondContact O-N 3.13Å
518	G	93.6	Very high	95.8	Very high	54 Å²	54	73 Å²	73	56%	0.557	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	26.9	178.1	0	0	0	0	0	114.5	D514 L515 A516	D514-G518 PolarHBondContact O-N 3.01Å; L515-G518 PolarHBondContact O-N 3.47Å; A516-G518 PolarHBondContact O-N 2.97Å
519	K	95.2	Very high	95.8	Very high	93 Å²	93	69.9 Å²	69.9	40%	0.404	41%	0.405	S	S	.	.			trans	-78.7	-19.6	-178.4	-65.2	-172.8	-173	166.9	0	114.1	D514 A517 S534 T535	D514-K519 HydrophobicContact CB-CB 4.38Å; D514-K519 HydrophobicContact CB-CD 4.1Å; D514-K519 WeakPolarHBondContact O-CB 3.39Å; D514-K519 PolarHBondContact O-N 3.35Å; D514-K519 WeakPolarHBondContact OD1-CD 3.37Å; D514-K519 WeakPolarHBondContact OD1-CE 3.49Å; D514-K519 IonicContact OD1-NZ 2.72Å; D514-K519 PolarHBondContact OD1-NZ 3.27Å; A517-K519 HydrophobicContact CB-CG 4.23Å; A517-K519 PolarHBondContact O-N 3.13Å; K519-S534 WeakPolarHBondContact O-CA 3.39Å; K519-T535 PolarHBondContact O-N 3.36Å; K519-T535 PolarHBondContact O-OG1 3.47Å
520	F	96.3	Very high	95.8	Very high	13 Å²	13	66.7 Å²	66.7	6%	0.057	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	134.7	-178.3	-70.2	-70.4	0	0	0	112.5	H488 F511 D514 L515	H488-F520 HydrophobicContact CB-CE1 3.83Å; H488-F520 HydrophobicContact CB-CZ 3.96Å; H488-F520 AromaticContact CG-CE1 3.86Å; F511-F520 HydrophobicContact CD1-CE2 4.06Å; F511-F520 HydrophobicContact CD1-CZ 4.46Å; F511-F520 HydrophobicContact CD2-CE2 4.18Å; F511-F520 AromaticContact CD2-CZ 3.77Å; F511-F520 HydrophobicContact CD2-CZ 3.77Å; F511-F520 HydrophobicContact CE1-CD2 4.29Å; F511-F520 AromaticContact CE1-CE2 3.88Å; F511-F520 HydrophobicContact CE1-CE2 3.88Å; F511-F520 HydrophobicContact CE1-CZ 4.23Å; F511-F520 AromaticContact CE2-CE1 3.95Å; F511-F520 HydrophobicContact CE2-CE1 3.95Å; F511-F520 HydrophobicContact CE2-CE2 4.02Å; F511-F520 AromaticContact CE2-CZ 3.52Å; F511-F520 HydrophobicContact CE2-CZ 3.52Å; F511-F520 HydrophobicContact CG-CE2 4.19Å; F511-F520 HydrophobicContact CG-CZ 4.24Å; F511-F520 HydrophobicContact CZ-CD2 4.33Å; F511-F520 HydrophobicContact CZ-CE1 4.11Å; F511-F520 AromaticContact CZ-CE2 3.86Å; F511-F520 HydrophobicContact CZ-CE2 3.86Å; F511-F520 AromaticContact CZ-CZ 3.75Å; F511-F520 HydrophobicContact CZ-CZ 3.75Å; D514-F520 HydrophobicContact CB-CD2 4.42Å; D514-F520 HydrophobicContact CB-CE2 3.7Å; D514-F520 HydrophobicContact CB-CZ 4.34Å; L515-F520 HydrophobicContact CB-CD2 4.11Å; L515-F520 HydrophobicContact CB-CE2 4.48Å; L515-F520 HydrophobicContact CD1-CB 4.42Å; L515-F520 HydrophobicContact CD1-CD2 4.18Å
521	I	95.9	Very high	95.8	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	-44	170	-64.2	163.1	0	0	0	109.7	T533 V538 L552 S556 L560 L565	I521-T533 PolarHBondContact N-O 3.44Å; I521-V538 HydrophobicContact CD1-CB 4.43Å; I521-V538 HydrophobicContact CD1-CG2 3.65Å; I521-L552 HydrophobicContact CG2-CD1 3.83Å; I521-L552 HydrophobicContact CG2-CD2 4.3Å; I521-S556 WeakPolarHBondContact O-CB 3.39Å; I521-S556 PolarHBondContact O-OG 2.87Å; I521-L560 HydrophobicContact CD1-CD1 3.85Å; I521-L560 HydrophobicContact CG1-CD1 4.44Å; I521-L560 HydrophobicContact CG2-CB 3.97Å; I521-L560 HydrophobicContact CG2-CD1 4.06Å; I521-L565 HydrophobicContact CD1-CD1 3.88Å
522	E	95.6	Very high	95.7	Very high	54 Å²	54	66.6 Å²	66.6	25%	0.252	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139	176.9	-176.5	172.1	79	0	0	109	G532 T533 L552 H553 S556	E522-G532 CarbonylContact O-C 3.51Å; E522-G532 WeakPolarHBondContact O-CA 3.34Å; E522-T533 PolarHBondContact O-N 3.26Å; E522-L552 HydrophobicContact CB-CD2 3.85Å; E522-H553 WeakPolarHBondContact OE2-CB 3.44Å; E522-H553 PolarHBondContact OE2-N 2.71Å; E522-S556 WeakPolarHBondContact CB-OG 3.43Å
523	S	95.2	Very high	95.7	Very high	52 Å²	52	63.5 Å²	63.5	36%	0.364	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	146	174.3	62	0	0	0	0	110.2	L515 Y531	L515-S523 WeakPolarHBondContact CD1-OG 3.3Å; S523-Y531 CarbonylContact C-O 3.48Å; S523-Y531 VanDerWaalsContact CA-O 3.22Å; S523-Y531 WeakPolarHBondContact CA-O 3.41Å
524	G	94.2	Very high	95.6	Very high	42 Å²	42	61 Å²	61	43%	0.433	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.6	176.5	0	0	0	0	0	111.9	L530 Y531	G524-L530 WeakPolarHBondContact O-CA 3.47Å; G524-Y531 PolarHBondContact N-O 3.06Å; G524-Y531 PolarHBondContact O-N 2.98Å
525	E	95.5	Very high	95.6	Very high	116 Å²	116	60.6 Å²	60.6	54%	0.542	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.8	173.9	-172.2	170.2	170.4	0	0	109.6	R508 K528 N529 L530	R508-E525 IonicContact NH2-OE2 3.85Å; E525-K528 WeakPolarHBondContact OE1-CA 3.43Å; E525-N529 WeakPolarHBondContact CA-O 3.4Å; E525-L530 HydrophobicContact CB-CD2 3.89Å; E525-L530 HydrophobicContact CG-CD2 4.04Å
526	Y	93.4	Very high	95.6	Very high	146 Å²	146	61.4 Å²	61.4	57%	0.573	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	130.3	175.1	-178.7	-102.2	0	0	0	109.4	K528 N529 Y531	Y526-K528 VanDerWaalsContact C-N 3.25Å; Y526-K528 PolarHBondContact O-N 2.88Å; Y526-N529 PolarHBondContact N-O 3.08Å; Y526-N529 PolarHBondContact O-N 3.15Å; Y526-N529 VanDerWaalsContact O-O 3.05Å; Y526-Y531 HydrophobicContact CD1-CE2 4.33Å
527	E	94.2	Very high	95.6	Very high	130 Å²	130	57.3 Å²	57.3	61%	0.607	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	46	-177	-66	-177.4	159.6	0	0	113.3	N529	E527-N529 PolarHBondContact O-N 3.46Å; E527-N529 VanDerWaalsContact O-N 3.11Å; E527-N529 PolarHBondContact O-ND2 2.8Å
528	K	94.9	Very high	95.7	Very high	176 Å²	176	54.1 Å²	54.1	77%	0.765	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	6.3	-178.4	-53.6	179.2	-179.6	178	0	115.9	R508 E525 Y526	R508-K528 PolarHBondContact NH1-O 2.74Å; E525-K528 WeakPolarHBondContact OE1-CA 3.43Å; Y526-K528 VanDerWaalsContact C-N 3.25Å; Y526-K528 PolarHBondContact O-N 2.88Å
529	N	96.9	Very high	95.8	Very high	42 Å²	42	54.5 Å²	54.5	23%	0.225	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.7	176	-66.3	-73.7	0	0	0	110.1	T490 R491 E525 Y526 E527 Y531	T490-N529 WeakPolarHBondContact OG1-CA 3.33Å; R491-N529 WeakPolarHBondContact CA-OD1 3.27Å; R491-N529 HydrophobicContact CB-CB 4.1Å; E525-N529 WeakPolarHBondContact CA-O 3.4Å; Y526-N529 PolarHBondContact N-O 3.08Å; Y526-N529 PolarHBondContact O-N 3.15Å; Y526-N529 VanDerWaalsContact O-O 3.05Å; E527-N529 PolarHBondContact O-N 3.46Å; E527-N529 VanDerWaalsContact O-N 3.11Å; E527-N529 PolarHBondContact O-ND2 2.8Å; N529-Y531 HydrophobicContact CB-CE2 3.84Å; N529-Y531 WeakPolarHBondContact O-CD2 3.49Å
530	L	97.3	Very high	95.8	Very high	17 Å²	17	56.4 Å²	56.4	9%	0.089	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142.2	175.9	-53.9	175	0	0	0	109.6	T489 T490 R508 F511 E512 G524 E525	T489-L530 VanDerWaalsContact CA-O 3.23Å; T489-L530 WeakPolarHBondContact CA-O 3.37Å; T489-L530 PolarHBondContact OG1-O 2.91Å; T490-L530 HydrophobicContact CG2-CB 3.8Å; T490-L530 HydrophobicContact CG2-CD1 4.22Å; T490-L530 HydrophobicContact CG2-CG 4.22Å; T490-L530 PolarHBondContact N-O 3.46Å; T490-L530 PolarHBondContact OG1-N 2.83Å; R508-L530 HydrophobicContact CG-CD1 4.14Å; F511-L530 HydrophobicContact CB-CD1 4.5Å; F511-L530 HydrophobicContact CD1-CB 3.8Å; F511-L530 HydrophobicContact CD1-CD1 3.55Å; F511-L530 HydrophobicContact CD1-CG 4.31Å; F511-L530 HydrophobicContact CD2-CB 4.29Å; F511-L530 HydrophobicContact CE1-CB 3.7Å; F511-L530 HydrophobicContact CE1-CD1 4.05Å; F511-L530 HydrophobicContact CE1-CG 4.44Å; F511-L530 HydrophobicContact CE2-CB 4.19Å; F511-L530 HydrophobicContact CG-CB 4.11Å; F511-L530 HydrophobicContact CG-CD1 4.17Å; F511-L530 HydrophobicContact CZ-CB 3.91Å; E512-L530 HydrophobicContact CG-CD1 4.12Å; G524-L530 WeakPolarHBondContact O-CA 3.47Å; E525-L530 HydrophobicContact CB-CD2 3.89Å; E525-L530 HydrophobicContact CG-CD2 4.04Å
531	Y	97.2	Very high	95.9	Very high	41 Å²	41	56 Å²	56	16%	0.161	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.5	174.4	-64.4	-94.3	0	0	0	108.8	H488 T489 Y503 S523 G524 Y526 N529	H488-Y531 VanDerWaalsContact O-CA 3.32Å; H488-Y531 WeakPolarHBondContact O-CA 3.47Å; T489-Y531 WeakPolarHBondContact OG1-CD1 3.49Å; T489-Y531 WeakPolarHBondContact OG1-CE1 3.32Å; Y503-Y531 HydrophobicContact CD1-CD1 4.34Å; Y503-Y531 AromaticContact CE1-CD1 3.73Å; Y503-Y531 HydrophobicContact CE1-CD1 3.73Å; Y503-Y531 AromaticContact CE1-CE1 3.93Å; Y503-Y531 HydrophobicContact CE1-CE1 3.93Å; S523-Y531 CarbonylContact C-O 3.48Å; S523-Y531 VanDerWaalsContact CA-O 3.22Å; S523-Y531 WeakPolarHBondContact CA-O 3.41Å; G524-Y531 PolarHBondContact N-O 3.06Å; G524-Y531 PolarHBondContact O-N 2.98Å; Y526-Y531 HydrophobicContact CD1-CE2 4.33Å; N529-Y531 HydrophobicContact CB-CE2 3.84Å; N529-Y531 WeakPolarHBondContact O-CD2 3.49Å
532	G	96	Very high	95.9	Very high	6 Å²	6	56 Å²	56	6%	0.062	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	151	176.2	0	0	0	0	0	114.8	P487 H488 E522	P487-G532 CarbonylContact C-O 3.51Å; P487-G532 WeakPolarHBondContact CA-O 3.38Å; P487-G532 WeakPolarHBondContact CB-O 3.39Å; H488-G532 PolarHBondContact N-O 2.97Å; H488-G532 PolarHBondContact O-N 3.02Å; E522-G532 CarbonylContact O-C 3.51Å; E522-G532 WeakPolarHBondContact O-CA 3.34Å
533	T	96.8	Very high	95.8	Very high	27 Å²	27	58.6 Å²	58.6	17%	0.166	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	114.7	176.7	-57.6	0	0	0	0	108.8	A485 I521 E522 V538 L550	A485-T533 HydrophobicContact CB-CG2 4.04Å; I521-T533 PolarHBondContact N-O 3.44Å; E522-T533 PolarHBondContact O-N 3.26Å; T533-V538 HydrophobicContact CG2-CG2 4.01Å; T533-L550 HydrophobicContact CG2-CD2 4.45Å
534	S	96.3	Very high	95.8	Very high	6 Å²	6	58.7 Å²	58.7	4%	0.042	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	153.4	-179.1	83.7	0	0	0	0	111.5	K519 D536 S537 V538	K519-S534 WeakPolarHBondContact O-CA 3.39Å; S534-D536 PolarHBondContact O-N 3.41Å; S534-D536 PolarHBondContact OG-N 2.95Å; S534-S537 WeakPolarHBondContact O-CB 3.27Å; S534-S537 PolarHBondContact O-N 2.82Å; S534-S537 WeakPolarHBondContact OG-CB 3.45Å; S534-S537 PolarHBondContact OG-N 2.75Å; S534-S537 PolarHBondContact OG-OG 3.34Å; S534-V538 PolarHBondContact O-N 3.07Å
535	T	96	Very high	95.8	Very high	19 Å²	19	58 Å²	58	12%	0.117	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-35.4	173.8	-52.5	0	0	0	0	111.3	K519 V538 R539 L565	K519-T535 PolarHBondContact O-N 3.36Å; K519-T535 PolarHBondContact O-OG1 3.47Å; T535-V538 PolarHBondContact O-N 3.19Å; T535-R539 WeakPolarHBondContact O-CB 3.43Å; T535-R539 PolarHBondContact O-N 3.21Å; T535-L565 HydrophobicContact CG2-CD1 3.84Å; T535-L565 HydrophobicContact CG2-CD2 4.47Å; T535-L565 HydrophobicContact CG2-CG 4.15Å
536	D	95.5	Very high	95.8	Very high	91 Å²	91	56.8 Å²	56.8	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-69.4	-37.4	179.5	-64.8	-25.3	0	0	0	112.2	S534 V538 R539 H540	S534-D536 PolarHBondContact O-N 3.41Å; S534-D536 PolarHBondContact OG-N 2.95Å; D536-V538 VanDerWaalsContact C-N 3.29Å; D536-V538 PolarHBondContact O-N 2.97Å; D536-R539 PolarHBondContact O-N 3.04Å; D536-R539 IonicContact OD1-CZ 2.69Å; D536-R539 IonicContact OD1-NH1 3.7Å; D536-R539 PolarHBondContact OD1-NH1 3.47Å; D536-H540 WeakPolarHBondContact O-CB 3.22Å; D536-H540 PolarHBondContact O-N 3.41Å
537	S	96.6	Very high	96	Very high	8 Å²	8	50 Å²	50	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-59.1	-41.5	174	-59.2	0	0	0	0	111.4	V486 H488 S534	V486-S537 VanDerWaalsContact O-CB 3.24Å; V486-S537 WeakPolarHBondContact O-CB 3.44Å; V486-S537 PolarHBondContact O-OG 2.99Å; H488-S537 PolarHBondContact CE1-OG 3.48Å; S534-S537 WeakPolarHBondContact O-CB 3.27Å; S534-S537 PolarHBondContact O-N 2.82Å; S534-S537 WeakPolarHBondContact OG-CB 3.45Å; S534-S537 PolarHBondContact OG-N 2.75Å; S534-S537 PolarHBondContact OG-OG 3.34Å
538	V	97.2	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-69.5	-44.9	176.2	-177.3	0	0	0	0	110.7	P456 A485 I521 T533 S534 T535 D536 H540 V541 V542 C548 L550 L565	P456-V538 HydrophobicContact CB-CG1 3.97Å; P456-V538 HydrophobicContact CG-CG1 3.58Å; A485-V538 HydrophobicContact CB-CG2 3.93Å; I521-V538 HydrophobicContact CD1-CB 4.43Å; I521-V538 HydrophobicContact CD1-CG2 3.65Å; T533-V538 HydrophobicContact CG2-CG2 4.01Å; S534-V538 PolarHBondContact O-N 3.07Å; T535-V538 PolarHBondContact O-N 3.19Å; D536-V538 VanDerWaalsContact C-N 3.29Å; D536-V538 PolarHBondContact O-N 2.97Å; V538-H540 VanDerWaalsContact C-N 3.26Å; V538-H540 PolarHBondContact O-N 3.12Å; V538-V541 PolarHBondContact O-N 2.67Å; V538-V541 VanDerWaalsContact O-N 3.13Å; V538-V542 HydrophobicContact CG1-CG2 4.42Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 3.48Å; V538-C548 HydrophobicContact CG1-CB 4.15Å; V538-L550 HydrophobicContact CG1-CD1 4.19Å; V538-L550 HydrophobicContact CG2-CD1 4.2Å; V538-L550 HydrophobicContact CG2-CD2 3.79Å; V538-L565 HydrophobicContact CB-CD1 3.89Å; V538-L565 HydrophobicContact CB-CD2 4.43Å; V538-L565 HydrophobicContact CG1-CD1 3.76Å; V538-L565 HydrophobicContact CG1-CD2 4.17Å; V538-L565 HydrophobicContact CG2-CD1 4.49Å
539	R	95.9	Very high	96.3	Very high	61 Å²	61	35.4 Å²	35.4	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-36.4	178.7	-168.1	175.7	-62.3	106.2	-0.7	112.2	T535 D536 V541 V542 N543 N564 L565	T535-R539 WeakPolarHBondContact O-CB 3.43Å; T535-R539 PolarHBondContact O-N 3.21Å; D536-R539 PolarHBondContact O-N 3.04Å; D536-R539 IonicContact OD1-CZ 2.69Å; D536-R539 IonicContact OD1-NH1 3.7Å; D536-R539 PolarHBondContact OD1-NH1 3.47Å; R539-V541 VanDerWaalsContact C-N 3.34Å; R539-V541 PolarHBondContact O-N 2.92Å; R539-V542 PolarHBondContact O-N 3.26Å; R539-N543 WeakPolarHBondContact O-CB 3.49Å; R539-N543 PolarHBondContact O-N 3.2Å; R539-N543 PolarHBondContact O-OD1 3.26Å; R539-N564 PolarHBondContact NH2-OD1 2.9Å; R539-L565 HydrophobicContact CB-CD2 4.12Å
540	H	96.1	Very high	96.2	Very high	133 Å²	133	33.8 Å²	33.8	62%	0.616	18%	0.177	S	C	*	.	H	α-helix	trans	-58.5	-44.9	175.2	-179.6	77.4	0	0	0	112	D536 V538 N543 S544	D536-H540 WeakPolarHBondContact O-CB 3.22Å; D536-H540 PolarHBondContact O-N 3.41Å; V538-H540 VanDerWaalsContact C-N 3.26Å; V538-H540 PolarHBondContact O-N 3.12Å; H540-N543 PolarHBondContact O-N 2.75Å; H540-S544 PolarHBondContact O-N 2.94Å
541	V	96.6	Very high	95.9	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.024	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-46.2	176.9	178.5	0	0	0	0	111.2	A483 V538 R539 N543 S544 R546 C548	A483-V541 HydrophobicContact CB-CG1 3.67Å; V538-V541 PolarHBondContact O-N 2.67Å; V538-V541 VanDerWaalsContact O-N 3.13Å; R539-V541 VanDerWaalsContact C-N 3.34Å; R539-V541 PolarHBondContact O-N 2.92Å; V541-N543 VanDerWaalsContact C-N 3.3Å; V541-N543 PolarHBondContact O-N 2.68Å; V541-S544 WeakPolarHBondContact O-CA 3.33Å; V541-S544 WeakPolarHBondContact O-CB 3.4Å; V541-S544 PolarHBondContact O-N 2.97Å; V541-S544 PolarHBondContact O-OG 3.33Å; V541-R546 HydrophobicContact CG1-CB 4.24Å; V541-C548 HydrophobicContact CB-CB 3.89Å; V541-C548 HydrophobicContact CG1-CB 3.62Å
542	V	95.6	Very high	95.4	Very high	4 Å²	4	33 Å²	33	2%	0.024	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-43.4	177.7	169.9	0	0	0	0	111.5	R453 K454 P456 V538 R539 S544 G545	R453-V542 HydrophobicContact CG-CG1 3.48Å; R453-V542 VanDerWaalsContact CG-CG1 3.48Å; K454-V542 WeakPolarHBondContact O-CG1 3.34Å; P456-V542 HydrophobicContact CG-CG2 3.59Å; V538-V542 HydrophobicContact CG1-CG2 4.42Å; V538-V542 WeakPolarHBondContact O-CG2 3.49Å; V538-V542 PolarHBondContact O-N 3.48Å; R539-V542 PolarHBondContact O-N 3.26Å; V542-S544 PolarHBondContact O-N 3.36Å; V542-G545 PolarHBondContact O-N 2.99Å; V542-G545 VanDerWaalsContact O-N 3.1Å
543	N	95.2	Very high	95.2	Very high	109 Å²	109	37 Å²	37	58%	0.583	20%	0.195	S	C	*	.	H	α-helix	trans	-69.3	-17.7	178.2	-70.3	-8.3	0	0	0	113.2	R539 H540 V541 G545	R539-N543 WeakPolarHBondContact O-CB 3.49Å; R539-N543 PolarHBondContact O-N 3.2Å; R539-N543 PolarHBondContact O-OD1 3.26Å; H540-N543 PolarHBondContact O-N 2.75Å; V541-N543 VanDerWaalsContact C-N 3.3Å; V541-N543 PolarHBondContact O-N 2.68Å; N543-G545 PolarHBondContact O-N 3.03Å
544	S	94.6	Very high	94.9	Very high	55 Å²	55	35.8 Å²	35.8	39%	0.385	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	1.7	172	75.9	0	0	0	0	113.5	H540 V541 V542 R546	H540-S544 PolarHBondContact O-N 2.94Å; V541-S544 WeakPolarHBondContact O-CA 3.33Å; V541-S544 WeakPolarHBondContact O-CB 3.4Å; V541-S544 PolarHBondContact O-N 2.97Å; V541-S544 PolarHBondContact O-OG 3.33Å; V542-S544 PolarHBondContact O-N 3.36Å; S544-R546 VanDerWaalsContact C-N 3.27Å; S544-R546 PolarHBondContact O-N 3.34Å; S544-R546 PolarHBondContact OG-NE 3.1Å; S544-R546 VanDerWaalsContact OG-NE 3.16Å
545	G	94.4	Very high	94.6	Very high	28 Å²	28	43.5 Å²	43.5	29%	0.289	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	7.7	-178.8	0	0	0	0	0	114.6	K454 V542 N543	K454-G545 VanDerWaalsContact CG-O 3.28Å; K454-G545 WeakPolarHBondContact CG-O 3.39Å; V542-G545 PolarHBondContact O-N 2.99Å; V542-G545 VanDerWaalsContact O-N 3.1Å; N543-G545 PolarHBondContact O-N 3.03Å
546	R	95.5	Very high	94.5	Very high	90 Å²	90	43.4 Å²	43.4	34%	0.34	22%	0.216	S	C	.	.	S	Bend	trans	-102	155.5	-179	-66	-174.4	-66.6	169.6	-0.3	112.2	D480 K481 A483 V541 S544 C548	D480-R546 WeakPolarHBondContact O-CD 3.48Å; D480-R546 WeakPolarHBondContact O-CG 3.4Å; K481-R546 WeakPolarHBondContact O-CB 3.47Å; A483-R546 HydrophobicContact CB-CB 4.35Å; A483-R546 VanDerWaalsContact CB-CZ 3.49Å; V541-R546 HydrophobicContact CG1-CB 4.24Å; S544-R546 VanDerWaalsContact C-N 3.27Å; S544-R546 PolarHBondContact O-N 3.34Å; S544-R546 PolarHBondContact OG-NE 3.1Å; S544-R546 VanDerWaalsContact OG-NE 3.16Å; R546-C548 PolarHBondContact O-N 2.9Å
547	I	97.2	Very high	94.4	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	115.9	174.5	-59.6	171.8	0	0	0	108.5	K454 V457 K481 F482 A483 L549 V634	K454-I547 HydrophobicContact CB-CB 4.49Å; K454-I547 HydrophobicContact CB-CG1 3.7Å; K454-I547 HydrophobicContact CD-CG1 4.44Å; K454-I547 HydrophobicContact CG-CG1 3.97Å; V457-I547 HydrophobicContact CB-CG2 4.15Å; V457-I547 HydrophobicContact CG2-CG2 3.63Å; K481-I547 HydrophobicContact CD-CD1 4.46Å; K481-I547 HydrophobicContact CG-CD1 4.01Å; K481-I547 PolarHBondContact O-N 3.36Å; F482-I547 WeakPolarHBondContact CA-O 3.29Å; F482-I547 HydrophobicContact CD1-CB 3.74Å; F482-I547 HydrophobicContact CD1-CD1 4.32Å; F482-I547 HydrophobicContact CD1-CG2 3.87Å; F482-I547 HydrophobicContact CE1-CB 3.98Å; F482-I547 HydrophobicContact CE1-CD1 3.75Å; F482-I547 HydrophobicContact CE1-CG1 4.46Å; F482-I547 HydrophobicContact CE1-CG2 3.92Å; F482-I547 HydrophobicContact CZ-CD1 4.36Å; A483-I547 PolarHBondContact N-O 2.94Å; I547-L549 HydrophobicContact CG2-CD2 4.39Å; I547-L549 PolarHBondContact O-N 3.41Å; I547-V634 HydrophobicContact CD1-CG1 3.54Å
548	C	97.7	Very high	94.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	114	174.5	-171.3	0	0	0	0	110.2	P456 V457 A483 V538 V541 R546	P456-C548 CarbonylContact C-O 3.37Å; P456-C548 VanDerWaalsContact CA-O 3.32Å; P456-C548 WeakPolarHBondContact CA-O 3.28Å; P456-C548 HydrophobicContact CB-CB 4.11Å; P456-C548 HydrophobicContact CG-CB 4.45Å; V457-C548 PolarHBondContact N-O 3.06Å; A483-C548 CarbonylContact O-C 3.6Å; A483-C548 WeakPolarHBondContact O-CA 3.34Å; V538-C548 HydrophobicContact CG1-CB 4.15Å; V541-C548 HydrophobicContact CB-CB 3.89Å; V541-C548 HydrophobicContact CG1-CB 3.62Å; R546-C548 PolarHBondContact O-N 2.9Å
549	L	97.6	Very high	94	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	173.6	-65.5	178.9	0	0	0	110.3	V457 R471 L474 L475 F482 A483 I547	V457-L549 HydrophobicContact CB-CD2 4.01Å; V457-L549 HydrophobicContact CG1-CD2 4.29Å; V457-L549 WeakPolarHBondContact O-CA 3.48Å; R471-L549 HydrophobicContact CG-CB 4.43Å; R471-L549 HydrophobicContact CG-CD1 4.34Å; L474-L549 HydrophobicContact CB-CD1 3.75Å; L474-L549 HydrophobicContact CD1-CD1 4.03Å; L474-L549 HydrophobicContact CD1-CD2 4.07Å; L475-L549 HydrophobicContact CD2-CD1 4.01Å; L475-L549 HydrophobicContact CG-CD1 3.94Å; F482-L549 HydrophobicContact CB-CD1 3.81Å; F482-L549 HydrophobicContact CB-CG 4.23Å; F482-L549 HydrophobicContact CD1-CD1 3.79Å; F482-L549 HydrophobicContact CD1-CD2 3.79Å; F482-L549 HydrophobicContact CD1-CG 3.76Å; F482-L549 HydrophobicContact CE1-CD2 4.14Å; F482-L549 HydrophobicContact CG-CD1 3.91Å; F482-L549 HydrophobicContact CG-CG 4.3Å; A483-L549 PolarHBondContact O-N 3.25Å; I547-L549 HydrophobicContact CG2-CD2 4.39Å; I547-L549 PolarHBondContact O-N 3.41Å
550	L	95.3	Very high	93.9	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	135.1	179.8	-57.6	174.6	0	0	0	109.9	P456 V457 A458 L459 A485 T533 V538 L552 L560	P456-L550 HydrophobicContact CB-CD1 3.97Å; V457-L550 PolarHBondContact O-N 3.09Å; A458-L550 CarbonylContact C-O 3.56Å; A458-L550 WeakPolarHBondContact CA-O 3.44Å; A458-L550 HydrophobicContact CB-CB 4.28Å; L459-L550 PolarHBondContact N-O 3.4Å; A485-L550 HydrophobicContact CB-CD2 4.33Å; T533-L550 HydrophobicContact CG2-CD2 4.45Å; V538-L550 HydrophobicContact CG1-CD1 4.19Å; V538-L550 HydrophobicContact CG2-CD1 4.2Å; V538-L550 HydrophobicContact CG2-CD2 3.79Å; L550-L552 HydrophobicContact CB-CD1 4.19Å; L550-L552 HydrophobicContact CB-CG 4.11Å; L550-L552 HydrophobicContact CD1-CD1 4.24Å; L550-L560 HydrophobicContact CD1-CD1 3.98Å
551	C	89.9	Confident	93.6	Very high	30 Å²	30	40.8 Å²	40.8	20%	0.203	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	111	164	-72.8	0	0	0	0	106.8	R471	R471-C551 WeakPolarHBondContact CD-SG 3.44Å; R471-C551 VanDerWaalsContact CZ-SG 3.52Å; R471-C551 PolarHBondContact NE-SG 3.29Å
552	L	88.5	Confident	93.3	Very high	13 Å²	13	45.4 Å²	45.4	7%	0.068	23%	0.232	C	C	.	.			trans	-127.3	153.7	-174.8	-59.6	171.4	0	0	0	109	V460 I521 E522 L550 L560	V460-L552 WeakPolarHBondContact CG1-O 3.39Å; I521-L552 HydrophobicContact CG2-CD1 3.83Å; I521-L552 HydrophobicContact CG2-CD2 4.3Å; E522-L552 HydrophobicContact CB-CD2 3.85Å; L550-L552 HydrophobicContact CB-CD1 4.19Å; L550-L552 HydrophobicContact CB-CG 4.11Å; L550-L552 HydrophobicContact CD1-CD1 4.24Å; L552-L560 HydrophobicContact CD1-CD1 4.38Å; L552-L560 HydrophobicContact CD1-CD2 3.84Å; L552-L560 HydrophobicContact CD1-CG 4.48Å
553	H	90.9	Very high	93	Very high	88 Å²	88	46.1 Å²	46.1	41%	0.407	24%	0.237	S	C	.	.			trans	-70.1	143.5	164.7	-163.8	-45.8	0	0	0	109.6	E522 R555 S556	E522-H553 WeakPolarHBondContact OE2-CB 3.44Å; E522-H553 PolarHBondContact OE2-N 2.71Å; H553-R555 PolarHBondContact CE1-NE 3.06Å; H553-R555 PolarHBondContact ND1-N 3.3Å; H553-R555 PolarHBondContact NE2-NE 3.34Å; H553-R555 PolarHBondContact NE2-NH2 3.11Å; H553-R555 PolarHBondContact O-N 2.87Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 2.93Å
554	T	90.5	Very high	92.7	Very high	2 Å²	2	45 Å²	45	1%	0.012	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-48.7	-31.9	174.9	39.3	0	0	0	0	115.2	V460 S556 L557 M606 Y610 F614	V460-T554 HydrophobicContact CB-CG2 4.47Å; T554-S556 PolarHBondContact O-N 2.95Å; T554-L557 HydrophobicContact CG2-CD1 4.18Å; T554-L557 WeakPolarHBondContact O-CB 3.41Å; T554-L557 WeakPolarHBondContact O-CG 3.26Å; T554-L557 PolarHBondContact O-N 3.38Å; T554-L557 VanDerWaalsContact O-N 3.17Å; T554-M606 HydrophobicContact CG2-CB 4.28Å; T554-M606 HydrophobicContact CG2-CE 3.2Å; T554-M606 HydrophobicContact CG2-CG 4.09Å; T554-M606 HydrophobicContact CG2-SD 4.5Å; T554-Y610 HydrophobicContact CG2-CD2 3.98Å; T554-Y610 HydrophobicContact CG2-CG 4.12Å; T554-F614 HydrophobicContact CG2-CE1 4.34Å; T554-F614 HydrophobicContact CG2-CZ 4.33Å
555	R	89.9	Confident	92.7	Very high	169 Å²	169	42.7 Å²	42.7	64%	0.638	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-62.5	-29.8	177.6	-70.3	-175.6	-72.8	167.9	-3.7	112.8	H553 L557	H553-R555 PolarHBondContact CE1-NE 3.06Å; H553-R555 PolarHBondContact ND1-N 3.3Å; H553-R555 PolarHBondContact NE2-NE 3.34Å; H553-R555 PolarHBondContact NE2-NH2 3.11Å; H553-R555 PolarHBondContact O-N 2.87Å; R555-L557 VanDerWaalsContact C-N 3.35Å
556	S	93.8	Very high	92.7	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-82	-9.8	179.2	-77.3	0	0	0	0	113.9	I521 E522 H553 T554 R558 V559 L560	I521-S556 WeakPolarHBondContact O-CB 3.39Å; I521-S556 PolarHBondContact O-OG 2.87Å; E522-S556 WeakPolarHBondContact CB-OG 3.43Å; H553-S556 WeakPolarHBondContact O-CB 3.2Å; H553-S556 PolarHBondContact O-N 2.93Å; T554-S556 PolarHBondContact O-N 2.95Å; S556-R558 PolarHBondContact O-N 2.9Å; S556-V559 PolarHBondContact O-N 3.15Å; S556-V559 VanDerWaalsContact O-N 3.13Å; S556-L560 PolarHBondContact O-N 3.31Å
557	L	93.5	Very high	92.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-33.2	178.4	-68.1	177.1	0	0	0	112.5	V460 T554 R555 V559 L560 R561 V569 F613 F614	V460-L557 HydrophobicContact CG1-CD1 4.22Å; V460-L557 HydrophobicContact CG1-CD2 3.92Å; V460-L557 HydrophobicContact CG1-CG 4.32Å; V460-L557 HydrophobicContact CG2-CD1 4.46Å; T554-L557 HydrophobicContact CG2-CD1 4.18Å; T554-L557 WeakPolarHBondContact O-CB 3.41Å; T554-L557 WeakPolarHBondContact O-CG 3.26Å; T554-L557 PolarHBondContact O-N 3.38Å; T554-L557 VanDerWaalsContact O-N 3.17Å; R555-L557 VanDerWaalsContact C-N 3.35Å; L557-V559 VanDerWaalsContact C-N 3.34Å; L557-V559 PolarHBondContact O-N 3.4Å; L557-L560 HydrophobicContact CD2-CD2 4.28Å; L557-L560 PolarHBondContact O-N 2.9Å; L557-R561 WeakPolarHBondContact O-CB 3.28Å; L557-R561 WeakPolarHBondContact O-CG 3.49Å; L557-R561 PolarHBondContact O-N 2.9Å; L557-V569 HydrophobicContact CD1-CG1 4.14Å; L557-V569 HydrophobicContact CD2-CG1 3.8Å; L557-V569 HydrophobicContact CD2-CG2 4.04Å; L557-F613 HydrophobicContact CB-CB 4.38Å; L557-F613 HydrophobicContact CB-CD2 4.08Å; L557-F613 HydrophobicContact CB-CG 4.42Å; L557-F613 HydrophobicContact CD1-CB 4.09Å; L557-F614 HydrophobicContact CD1-CD1 4.18Å; L557-F614 HydrophobicContact CD1-CE1 3.72Å
558	R	91.5	Very high	92.8	Very high	157 Å²	157	38.8 Å²	38.8	59%	0.592	19%	0.191	S	C	*	.	H	α-helix	trans	-62.9	-41.5	176.4	-172.5	176.6	-178.2	177	1.4	111.9	S556 S562 F613	S556-R558 PolarHBondContact O-N 2.9Å; R558-S562 WeakPolarHBondContact O-CB 3.42Å; R558-S562 PolarHBondContact O-N 2.81Å; R558-S562 VanDerWaalsContact O-N 3.15Å; R558-S562 PolarHBondContact O-OG 3.42Å; R558-F613 HydrophobicContact CB-CZ 4.47Å
559	V	93.3	Very high	92.8	Very high	65 Å²	65	38.8 Å²	38.8	39%	0.394	19%	0.192	S	C	.	.	H	α-helix	trans	-70.1	-44.4	177.2	-176.2	0	0	0	0	109.8	S556 L557 R561 S562 S563	S556-V559 PolarHBondContact O-N 3.15Å; S556-V559 VanDerWaalsContact O-N 3.13Å; L557-V559 VanDerWaalsContact C-N 3.34Å; L557-V559 PolarHBondContact O-N 3.4Å; V559-R561 PolarHBondContact O-N 3.42Å; V559-S562 PolarHBondContact O-N 2.78Å; V559-S563 PolarHBondContact O-N 2.99Å
560	L	94.1	Very high	92.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-45.6	177.8	-174.9	70.6	0	0	0	112.2	A458 I521 L550 L552 S556 L557 S562 S563 L565 P567	A458-L560 HydrophobicContact CB-CD2 3.89Å; I521-L560 HydrophobicContact CD1-CD1 3.85Å; I521-L560 HydrophobicContact CG1-CD1 4.44Å; I521-L560 HydrophobicContact CG2-CB 3.97Å; I521-L560 HydrophobicContact CG2-CD1 4.06Å; L550-L560 HydrophobicContact CD1-CD1 3.98Å; L552-L560 HydrophobicContact CD1-CD1 4.38Å; L552-L560 HydrophobicContact CD1-CD2 3.84Å; L552-L560 HydrophobicContact CD1-CG 4.48Å; S556-L560 PolarHBondContact O-N 3.31Å; L557-L560 HydrophobicContact CD2-CD2 4.28Å; L557-L560 PolarHBondContact O-N 2.9Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 2.82Å; L560-S563 WeakPolarHBondContact O-CB 3.31Å; L560-S563 PolarHBondContact O-N 2.86Å; L560-S563 PolarHBondContact O-OG 2.9Å; L560-L565 HydrophobicContact CD1-CD1 4.1Å; L560-P567 HydrophobicContact CD1-CB 4.42Å; L560-P567 HydrophobicContact CD2-CB 3.54Å; L560-P567 HydrophobicContact CD2-CG 3.89Å; L560-P567 HydrophobicContact CG-CB 3.84Å; L560-P567 HydrophobicContact CG-CG 3.82Å
561	R	91.1	Very high	92.9	Very high	16 Å²	16	38.4 Å²	38.4	6%	0.06	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-27.1	179.2	-74.6	-179.2	61.9	105.4	-9	114	E442 L557 V559 S563 P567 F613 P645 W648	E442-R561 IonicContact OE1-NH2 2.62Å; E442-R561 PolarHBondContact OE1-NH2 2.79Å; E442-R561 VanDerWaalsContact OE1-NH2 3.13Å; E442-R561 IonicContact OE2-NH2 2.77Å; E442-R561 PolarHBondContact OE2-NH2 2.77Å; L557-R561 WeakPolarHBondContact O-CB 3.28Å; L557-R561 WeakPolarHBondContact O-CG 3.49Å; L557-R561 PolarHBondContact O-N 2.9Å; V559-R561 PolarHBondContact O-N 3.42Å; R561-S563 PolarHBondContact O-N 2.83Å; R561-P567 HydrophobicContact CG-CG 4.41Å; R561-F613 VanDerWaalsContact NE-CD1 3.25Å; R561-P645 VanDerWaalsContact NH2-CG 3.3Å; R561-W648 HydrophobicContact CB-CZ2 4.19Å; R561-W648 HydrophobicContact CG-CZ2 4.05Å; R561-W648 PolarHBondContact O-NE1 3.1Å
562	S	89.4	Confident	93.2	Very high	100 Å²	100	37 Å²	37	70%	0.699	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-11.6	173.3	-56.4	0	0	0	0	112.6	R558 V559 L560	R558-S562 WeakPolarHBondContact O-CB 3.42Å; R558-S562 PolarHBondContact O-N 2.81Å; R558-S562 VanDerWaalsContact O-N 3.15Å; R558-S562 PolarHBondContact O-OG 3.42Å; V559-S562 PolarHBondContact O-N 2.78Å; L560-S562 VanDerWaalsContact C-N 3.34Å; L560-S562 PolarHBondContact O-N 2.82Å
563	S	89.6	Confident	93.6	Very high	19 Å²	19	36.8 Å²	36.8	13%	0.133	18%	0.18	C	C	.	.	S	Bend	trans	-85.3	161.5	177.4	82	0	0	0	0	112.1	V559 L560 R561 L565	V559-S563 PolarHBondContact O-N 2.99Å; L560-S563 WeakPolarHBondContact O-CB 3.31Å; L560-S563 PolarHBondContact O-N 2.86Å; L560-S563 PolarHBondContact O-OG 2.9Å; R561-S563 PolarHBondContact O-N 2.83Å; S563-L565 PolarHBondContact O-N 2.91Å; S563-L565 VanDerWaalsContact O-N 3.15Å; S563-L565 VanDerWaalsContact OG-CB 3.29Å; S563-L565 WeakPolarHBondContact OG-CB 3.42Å; S563-L565 WeakPolarHBondContact OG-CD1 3.31Å; S563-L565 VanDerWaalsContact OG-CG 3.27Å; S563-L565 WeakPolarHBondContact OG-CG 3.5Å; S563-L565 PolarHBondContact OG-N 3.01Å
564	N	89.4	Confident	93.7	Very high	86 Å²	86	33.3 Å²	33.3	46%	0.46	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	16.6	174.8	69	-10.7	0	0	0	114.3	R453 R539	R453-N564 PolarHBondContact NH2-O 3.36Å; R539-N564 PolarHBondContact NH2-OD1 2.9Å
565	L	93.4	Very high	93.8	Very high	7 Å²	7	33.6 Å²	33.6	4%	0.037	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.9	-176.3	-65.4	175.1	0	0	0	113.4	P456 I521 T535 V538 R539 L560 S563	P456-L565 WeakPolarHBondContact CD-O 3.48Å; P456-L565 HydrophobicContact CG-CB 4.21Å; I521-L565 HydrophobicContact CD1-CD1 3.88Å; T535-L565 HydrophobicContact CG2-CD1 3.84Å; T535-L565 HydrophobicContact CG2-CD2 4.47Å; T535-L565 HydrophobicContact CG2-CG 4.15Å; V538-L565 HydrophobicContact CB-CD1 3.89Å; V538-L565 HydrophobicContact CB-CD2 4.43Å; V538-L565 HydrophobicContact CG1-CD1 3.76Å; V538-L565 HydrophobicContact CG1-CD2 4.17Å; V538-L565 HydrophobicContact CG2-CD1 4.49Å; R539-L565 HydrophobicContact CB-CD2 4.12Å; L560-L565 HydrophobicContact CD1-CD1 4.1Å; S563-L565 PolarHBondContact O-N 2.91Å; S563-L565 VanDerWaalsContact O-N 3.15Å; S563-L565 VanDerWaalsContact OG-CB 3.29Å; S563-L565 WeakPolarHBondContact OG-CB 3.42Å; S563-L565 WeakPolarHBondContact OG-CD1 3.31Å; S563-L565 VanDerWaalsContact OG-CG 3.27Å; S563-L565 WeakPolarHBondContact OG-CG 3.5Å; S563-L565 PolarHBondContact OG-N 3.01Å
566	K	95.6	Very high	93.8	Very high	28 Å²	28	28.9 Å²	28.9	12%	0.122	16%	0.16	C	C	.	.			trans	52.2	55.2	179.9	-60	176.1	165.5	60.2	0	112.2	Y447 R455 W648	Y447-K566 HydrophobicContact CD2-CD 4.33Å; Y447-K566 HydrophobicContact CE1-CD 4.02Å; Y447-K566 HydrophobicContact CE2-CD 3.75Å; R455-K566 WeakPolarHBondContact CB-O 3.36Å; R455-K566 WeakPolarHBondContact CG-O 3.46Å; R455-K566 PolarHBondContact NE-O 2.86Å; K566-W648 HydrophobicContact CB-CE3 3.81Å; K566-W648 HydrophobicContact CB-CZ3 4.05Å; K566-W648 WeakPolarHBondContact CE-O 3.49Å; K566-W648 HydrophobicContact CG-CB 4.35Å; K566-W648 HydrophobicContact CG-CD2 4.37Å; K566-W648 HydrophobicContact CG-CE3 3.83Å; K566-W648 PolarHBondContact NZ-O 3.3Å
567	P	96.9	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.			trans	-59.9	155.5	-175.1	32.9	-41.7	0	0	0	111.8	R455 P456 L560 R561 V569 W648	R455-P567 PolarHBondContact NH2-O 3.49Å; P456-P567 CarbonylContact O-C 3.57Å; P456-P567 WeakPolarHBondContact O-CA 3.08Å; L560-P567 HydrophobicContact CD1-CB 4.42Å; L560-P567 HydrophobicContact CD2-CB 3.54Å; L560-P567 HydrophobicContact CD2-CG 3.89Å; L560-P567 HydrophobicContact CG-CB 3.84Å; L560-P567 HydrophobicContact CG-CG 3.82Å; R561-P567 HydrophobicContact CG-CG 4.41Å; P567-V569 HydrophobicContact CB-CG2 4.31Å; P567-V569 HydrophobicContact CG-CG2 4.42Å; P567-W648 HydrophobicContact CG-CH2 3.93Å; P567-W648 HydrophobicContact CG-CZ2 4.41Å
568	Y	97.6	Very high	93.5	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.035	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.8	163.9	-171.8	-105.8	0	0	0	108.1	P456 V457 A458 V570 D615 L633 L637	P456-Y568 PolarHBondContact O-N 3.47Å; V457-Y568 CarbonylContact C-O 3.51Å; V457-Y568 WeakPolarHBondContact CA-O 3.49Å; A458-Y568 PolarHBondContact N-O 2.86Å; Y568-V570 HydrophobicContact CD1-CG2 3.72Å; Y568-V570 HydrophobicContact CE1-CG2 3.61Å; Y568-D615 WeakPolarHBondContact CA-OD2 3.4Å; Y568-D615 HydrophobicContact CD2-CB 3.6Å; Y568-D615 HydrophobicContact CE2-CB 3.35Å; Y568-D615 HydrophobicContact CG-CB 4.35Å; Y568-L633 HydrophobicContact CE1-CB 4.49Å; Y568-L637 HydrophobicContact CD1-CD1 3.97Å; Y568-L637 HydrophobicContact CD1-CD2 4.26Å; Y568-L637 HydrophobicContact CD2-CD1 4.47Å; Y568-L637 HydrophobicContact CD2-CD2 3.68Å; Y568-L637 HydrophobicContact CE1-CD2 4.29Å; Y568-L637 HydrophobicContact CE2-CD2 3.7Å; Y568-L637 HydrophobicContact CG-CD1 3.91Å; Y568-L637 HydrophobicContact CG-CD2 3.96Å
569	V	97.3	Very high	93.4	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117	-169.7	-175.6	0	0	0	0	109.7	A458 V460 L557 P567 F613 F614 D615 A616	A458-V569 HydrophobicContact CB-CG2 4.32Å; A458-V569 WeakPolarHBondContact O-CA 3.36Å; V460-V569 HydrophobicContact CG1-CG1 4.43Å; V460-V569 HydrophobicContact CG2-CG1 3.75Å; L557-V569 HydrophobicContact CD1-CG1 4.14Å; L557-V569 HydrophobicContact CD2-CG1 3.8Å; L557-V569 HydrophobicContact CD2-CG2 4.04Å; P567-V569 HydrophobicContact CB-CG2 4.31Å; P567-V569 HydrophobicContact CG-CG2 4.42Å; V569-F613 WeakPolarHBondContact CB-O 3.46Å; V569-F614 HydrophobicContact CG1-CD1 3.85Å; V569-D615 PolarHBondContact N-OD2 3.47Å; V569-D615 PolarHBondContact O-N 3.11Å; V569-A616 PolarHBondContact O-N 3.5Å
570	V	97.4	Very high	93.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.8	178.4	-171.9	0	0	0	0	109.4	V457 A458 L459 V460 Y568 I572 A616 V618 L630	V457-V570 HydrophobicContact CG1-CG2 4.32Å; A458-V570 PolarHBondContact O-N 3.22Å; L459-V570 WeakPolarHBondContact CA-O 3.37Å; L459-V570 HydrophobicContact CD2-CB 4.02Å; V460-V570 PolarHBondContact N-O 2.93Å; Y568-V570 HydrophobicContact CD1-CG2 3.72Å; Y568-V570 HydrophobicContact CE1-CG2 3.61Å; V570-I572 HydrophobicContact CG1-CD1 3.93Å; V570-A616 WeakPolarHBondContact CA-O 3.47Å; V570-A616 HydrophobicContact CG1-CB 4.46Å; V570-V618 HydrophobicContact CG1-CG2 3.84Å; V570-L630 HydrophobicContact CB-CD1 4.33Å; V570-L630 HydrophobicContact CG1-CD1 4.03Å; V570-L630 HydrophobicContact CG2-CD1 4.2Å
571	F	97.2	Very high	93.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.7	173.5	-179.9	-110.3	0	0	0	110.7	V460 A573 A603 M606 E607 F614 A616 T617 V618	V460-F571 HydrophobicContact CG2-CB 4.2Å; V460-F571 HydrophobicContact CG2-CD2 4.13Å; V460-F571 CarbonylContact O-C 3.56Å; V460-F571 VanDerWaalsContact O-CA 3.31Å; V460-F571 WeakPolarHBondContact O-CA 3.33Å; V460-F571 WeakPolarHBondContact O-CD2 3.47Å; F571-A573 HydrophobicContact CD1-CB 4.12Å; F571-A573 HydrophobicContact CE1-CB 3.68Å; F571-A603 HydrophobicContact CZ-CB 4.31Å; F571-M606 HydrophobicContact CE2-CB 3.9Å; F571-M606 HydrophobicContact CE2-CE 4.1Å; F571-M606 HydrophobicContact CE2-SD 4.32Å; F571-M606 HydrophobicContact CZ-CB 4.33Å; F571-E607 HydrophobicContact CD1-CG 3.92Å; F571-E607 HydrophobicContact CE1-CG 3.27Å; F571-E607 WeakPolarHBondContact CE1-OE1 3.42Å; F571-E607 HydrophobicContact CZ-CG 3.64Å; F571-F614 HydrophobicContact CB-CB 4.35Å; F571-F614 HydrophobicContact CB-CD1 4.26Å; F571-F614 HydrophobicContact CB-CD2 3.35Å; F571-F614 HydrophobicContact CB-CE1 4.47Å; F571-F614 HydrophobicContact CB-CE2 3.6Å; F571-F614 HydrophobicContact CB-CG 3.74Å; F571-F614 HydrophobicContact CB-CZ 4.18Å; F571-F614 HydrophobicContact CD1-CD2 4.28Å; F571-F614 HydrophobicContact CD1-CE2 4.02Å; F571-F614 HydrophobicContact CD2-CD2 4.25Å; F571-F614 HydrophobicContact CD2-CE1 4.43Å; F571-F614 AromaticContact CD2-CE2 3.56Å; F571-F614 HydrophobicContact CD2-CE2 3.56Å; F571-F614 AromaticContact CD2-CZ 3.68Å; F571-F614 HydrophobicContact CD2-CZ 3.68Å; F571-F614 HydrophobicContact CE2-CE2 4.22Å; F571-F614 HydrophobicContact CE2-CZ 4.31Å; F571-F614 AromaticContact CG-CD2 3.72Å; F571-F614 HydrophobicContact CG-CD2 3.72Å; F571-F614 AromaticContact CG-CE2 3.45Å; F571-F614 HydrophobicContact CG-CE2 3.45Å; F571-F614 VanDerWaalsContact CG-CE2 3.45Å; F571-F614 HydrophobicContact CG-CZ 4.02Å; F571-A616 PolarHBondContact N-O 3.17Å; F571-T617 HydrophobicContact CD1-CG2 3.82Å; F571-T617 CarbonylContact O-C 3.49Å; F571-T617 VanDerWaalsContact O-CA 3.31Å; F571-T617 WeakPolarHBondContact O-CA 3.49Å; F571-V618 PolarHBondContact O-N 3.17Å
572	I	96.8	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	100.2	176.8	-51.8	-56.2	0	0	0	107.8	V460 S465 H467 L470 V570 V618 N620	V460-I572 PolarHBondContact O-N 3.28Å; S465-I572 WeakPolarHBondContact CB-O 3.3Å; H467-I572 HydrophobicContact CB-CB 3.96Å; H467-I572 HydrophobicContact CB-CG1 3.74Å; H467-I572 HydrophobicContact CB-CG2 4.3Å; L470-I572 HydrophobicContact CD1-CD1 4.12Å; L470-I572 HydrophobicContact CD1-CG1 4.49Å; L470-I572 HydrophobicContact CD1-CG2 4.17Å; V570-I572 HydrophobicContact CG1-CD1 3.93Å; I572-V618 CarbonylContact C-O 3.55Å; I572-V618 WeakPolarHBondContact CA-O 3.47Å; I572-V618 HydrophobicContact CD1-CB 3.97Å; I572-N620 HydrophobicContact CG2-CB 4.16Å
573	A	95.5	Very high	92.9	Very high	8 Å²	8	38.5 Å²	38.5	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	135.5	179	0	0	0	0	0	110.1	F571 T617 V618 V619 N620	F571-A573 HydrophobicContact CD1-CB 4.12Å; F571-A573 HydrophobicContact CE1-CB 3.68Å; A573-T617 HydrophobicContact CB-CG2 4.11Å; A573-V618 PolarHBondContact N-O 3.19Å; A573-V619 HydrophobicContact CB-CG2 4.23Å; A573-N620 PolarHBondContact O-N 3.31Å
574	P	93.8	Very high	92.8	Very high	15 Å²	15	37.9 Å²	37.9	10%	0.097	19%	0.187	C	C	.	.			trans	-67.1	153.5	170.2	31.6	-34.2	0	0	0	110.2	P462 L580 V599 A603	P462-P574 HydrophobicContact CG-CG 4.17Å; P574-L580 HydrophobicContact CB-CD2 4.47Å; P574-V599 HydrophobicContact CB-CG1 3.98Å; P574-V599 HydrophobicContact CG-CG1 4.12Å; P574-A603 VanDerWaalsContact CD-CB 3.42Å; P574-A603 HydrophobicContact CG-CB 3.55Å
575	P	92.2	Very high	92.7	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.052	19%	0.188	C	C	.	.			trans	-75.4	-172.5	172.7	35.4	-36.4	0	0	0	111	R579 L580 L583 N620 F621	P575-R579 HydrophobicContact CB-CB 4.01Å; P575-R579 HydrophobicContact CB-CG 3.85Å; P575-R579 HydrophobicContact CG-CB 4.15Å; P575-R579 HydrophobicContact CG-CG 3.94Å; P575-L580 HydrophobicContact CG-CB 4.1Å; P575-L583 HydrophobicContact CG-CD1 4.05Å; P575-N620 VanDerWaalsContact CD-O 3.31Å; P575-N620 WeakPolarHBondContact CD-O 3.37Å; P575-N620 VanDerWaalsContact CG-O 3.28Å; P575-N620 WeakPolarHBondContact CG-O 3.1Å; P575-F621 HydrophobicContact CB-CB 4.36Å; P575-F621 HydrophobicContact CB-CD2 4.08Å
576	S	91.3	Very high	92.3	Very high	70 Å²	70	42 Å²	42	49%	0.49	22%	0.222	S	C	.	.			trans	-55.2	152	173	69.8	0	0	0	0	111.7	E578 R579 L580	S576-E578 PolarHBondContact O-N 2.97Å; S576-R579 PolarHBondContact O-N 3.17Å; S576-R579 WeakPolarHBondContact OG-CB 3.32Å; S576-R579 PolarHBondContact OG-N 3.29Å; S576-L580 PolarHBondContact O-N 3.03Å
577	Q	89.6	Confident	91.6	Very high	82 Å²	82	45 Å²	45	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-54.5	-39.8	-176.1	-169.6	-178.8	-22.2	0	0	112.9	R581 P593 L596	Q577-R581 WeakPolarHBondContact O-CB 3.36Å; Q577-R581 PolarHBondContact O-N 3.47Å; Q577-P593 PolarHBondContact NE2-O 2.96Å; Q577-L596 HydrophobicContact CG-CB 3.8Å
578	E	89.9	Confident	90.9	Very high	158 Å²	158	48.2 Å²	48.2	74%	0.738	27%	0.269	S	S	*	.	H	α-helix	trans	-66.8	-43.3	177.5	-176.9	175.9	-164.2	0	0	112.2	S576 R581 T582	S576-E578 PolarHBondContact O-N 2.97Å; E578-R581 WeakPolarHBondContact O-CB 3.32Å; E578-R581 PolarHBondContact O-N 3.36Å; E578-T582 PolarHBondContact O-N 3.34Å; E578-T582 VanDerWaalsContact O-N 3.16Å; E578-T582 PolarHBondContact O-OG1 3.44Å
579	R	90.9	Very high	90.2	Very high	70 Å²	70	52.3 Å²	52.3	26%	0.264	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-43.8	177.2	-177.9	61.5	176.5	174.7	0.6	111.3	P575 S576 R581 T582 L583 F621 D622	P575-R579 HydrophobicContact CB-CB 4.01Å; P575-R579 HydrophobicContact CB-CG 3.85Å; P575-R579 HydrophobicContact CG-CB 4.15Å; P575-R579 HydrophobicContact CG-CG 3.94Å; S576-R579 PolarHBondContact O-N 3.17Å; S576-R579 WeakPolarHBondContact OG-CB 3.32Å; S576-R579 PolarHBondContact OG-N 3.29Å; R579-R581 VanDerWaalsContact C-N 3.31Å; R579-R581 PolarHBondContact O-N 3.02Å; R579-T582 WeakPolarHBondContact O-CB 3.33Å; R579-T582 PolarHBondContact O-N 3.34Å; R579-T582 VanDerWaalsContact O-N 3.08Å; R579-L583 HydrophobicContact CG-CD1 4.29Å; R579-L583 WeakPolarHBondContact O-CG 3.39Å; R579-L583 PolarHBondContact O-N 3.08Å; R579-F621 HydrophobicContact CB-CD2 4.44Å; R579-F621 HydrophobicContact CB-CE2 4.14Å; R579-F621 HydrophobicContact CG-CD2 3.84Å; R579-F621 HydrophobicContact CG-CE2 3.74Å; R579-F621 HydrophobicContact CG-CG 4.37Å; R579-F621 HydrophobicContact CG-CZ 4.21Å; R579-F621 PolarHBondContact NE-O 3.34Å; R579-F621 PolarHBondContact NH2-O 3.49Å; R579-F621 VanDerWaalsContact NH2-O 3.17Å; R579-D622 IonicContact NH2-OD2 2.63Å
580	L	89.8	Confident	89.5	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	33%	0.325	C	S	.	.	H	α-helix	trans	-58.6	-43.5	176.9	-179.8	61.1	0	0	0	111.4	N464 P574 P575 S576 T582 L583 L584 L596 V599	N464-L580 WeakPolarHBondContact O-CD1 3.48Å; P574-L580 HydrophobicContact CB-CD2 4.47Å; P575-L580 HydrophobicContact CG-CB 4.1Å; S576-L580 PolarHBondContact O-N 3.03Å; L580-T582 VanDerWaalsContact C-N 3.28Å; L580-T582 PolarHBondContact O-N 2.92Å; L580-L583 PolarHBondContact O-N 3.23Å; L580-L584 HydrophobicContact CD1-CD1 3.89Å; L580-L584 HydrophobicContact CD1-CG 4.11Å; L580-L584 HydrophobicContact CG-CD1 3.88Å; L580-L584 HydrophobicContact CG-CG 4.49Å; L580-L584 WeakPolarHBondContact O-CB 3.45Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.31Å; L580-L584 PolarHBondContact O-N 2.89Å; L580-L596 HydrophobicContact CB-CD2 4.34Å; L580-L596 HydrophobicContact CD2-CD2 3.81Å; L580-L596 HydrophobicContact CG-CD2 3.79Å; L580-V599 HydrophobicContact CD2-CB 4.04Å; L580-V599 HydrophobicContact CD2-CG1 3.76Å
581	R	90	Very high	88.8	Confident	149 Å²	149	60.5 Å²	60.5	56%	0.562	34%	0.336	S	S	*	.	H	α-helix	trans	-56.9	-43.8	174.3	-176.6	-178.2	172.2	125.6	-0.4	111.9	Q577 E578 R579 A585 L596	Q577-R581 WeakPolarHBondContact O-CB 3.36Å; Q577-R581 PolarHBondContact O-N 3.47Å; E578-R581 WeakPolarHBondContact O-CB 3.32Å; E578-R581 PolarHBondContact O-N 3.36Å; R579-R581 VanDerWaalsContact C-N 3.31Å; R579-R581 PolarHBondContact O-N 3.02Å; R581-A585 WeakPolarHBondContact O-CB 3.28Å; R581-A585 PolarHBondContact O-N 2.85Å; R581-L596 HydrophobicContact CB-CD1 3.76Å; R581-L596 HydrophobicContact CB-CD2 4.47Å; R581-L596 HydrophobicContact CG-CD1 4Å
582	T	89.8	Confident	88.4	Confident	70 Å²	70	66.8 Å²	66.8	43%	0.429	36%	0.363	S	S	.	.	H	α-helix	trans	-65.5	-46.9	-179.4	-54.9	0	0	0	0	111.3	E578 R579 L580 L584 A585 T586	E578-T582 PolarHBondContact O-N 3.34Å; E578-T582 VanDerWaalsContact O-N 3.16Å; E578-T582 PolarHBondContact O-OG1 3.44Å; R579-T582 WeakPolarHBondContact O-CB 3.33Å; R579-T582 PolarHBondContact O-N 3.34Å; R579-T582 VanDerWaalsContact O-N 3.08Å; L580-T582 VanDerWaalsContact C-N 3.28Å; L580-T582 PolarHBondContact O-N 2.92Å; T582-L584 PolarHBondContact O-N 3.43Å; T582-A585 WeakPolarHBondContact O-CB 3.38Å; T582-A585 PolarHBondContact O-N 3.1Å; T582-T586 PolarHBondContact O-N 2.75Å; T582-T586 VanDerWaalsContact O-N 3.11Å; T582-T586 PolarHBondContact O-OG1 3.03Å; T582-T586 VanDerWaalsContact O-OG1 3.14Å
583	L	87.3	Confident	87.9	Confident	25 Å²	25	69.8 Å²	69.8	13%	0.131	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-46.6	178.9	-70.3	173	0	0	0	112	P575 R579 L580 A585 T586 E587 P623	P575-L583 HydrophobicContact CG-CD1 4.05Å; R579-L583 HydrophobicContact CG-CD1 4.29Å; R579-L583 WeakPolarHBondContact O-CG 3.39Å; R579-L583 PolarHBondContact O-N 3.08Å; L580-L583 PolarHBondContact O-N 3.23Å; L583-A585 VanDerWaalsContact C-N 3.31Å; L583-A585 PolarHBondContact O-N 3.13Å; L583-T586 WeakPolarHBondContact O-CB 3.42Å; L583-T586 PolarHBondContact O-N 2.97Å; L583-T586 VanDerWaalsContact O-N 3.16Å; L583-E587 PolarHBondContact O-N 3.1Å; L583-P623 HydrophobicContact CD2-CG 4.11Å
584	L	87.1	Confident	87.7	Confident	6 Å²	6	75.7 Å²	75.7	3%	0.031	41%	0.409	C	S	.	.	H	α-helix	trans	-65.2	-36.5	179.1	-68.3	170.4	0	0	0	111.9	N464 L580 T582 T586 E587 G588 K589 L591 L596	N464-L584 HydrophobicContact CB-CD2 4.31Å; L580-L584 HydrophobicContact CD1-CD1 3.89Å; L580-L584 HydrophobicContact CD1-CG 4.11Å; L580-L584 HydrophobicContact CG-CD1 3.88Å; L580-L584 HydrophobicContact CG-CG 4.49Å; L580-L584 WeakPolarHBondContact O-CB 3.45Å; L580-L584 VanDerWaalsContact O-CG 3.31Å; L580-L584 WeakPolarHBondContact O-CG 3.31Å; L580-L584 PolarHBondContact O-N 2.89Å; T582-L584 PolarHBondContact O-N 3.43Å; L584-T586 VanDerWaalsContact C-N 3.3Å; L584-T586 PolarHBondContact O-N 3.16Å; L584-E587 CarbonylContact O-C 3.55Å; L584-E587 WeakPolarHBondContact O-CA 3.46Å; L584-E587 WeakPolarHBondContact O-CB 3.31Å; L584-E587 PolarHBondContact O-N 3.24Å; L584-E587 VanDerWaalsContact O-N 3.08Å; L584-G588 PolarHBondContact O-N 3.48Å; L584-K589 CarbonylContact C-O 3.06Å; L584-K589 HydrophobicContact CB-CB 4.23Å; L584-K589 WeakPolarHBondContact CB-O 3.49Å; L584-K589 HydrophobicContact CD2-CB 4.42Å; L584-K589 HydrophobicContact CD2-CD 4.13Å; L584-K589 CarbonylContact O-C 3.54Å; L584-K589 WeakPolarHBondContact O-CA 3.29Å; L584-K589 PolarHBondContact O-N 2.9Å; L584-L591 HydrophobicContact CD1-CD1 3.34Å; L584-L591 HydrophobicContact CD1-CG 3.85Å; L584-L596 HydrophobicContact CD1-CD2 3.9Å
585	A	87.4	Confident	87.4	Confident	58 Å²	58	78.4 Å²	78.4	48%	0.479	42%	0.42	S	S	.	.	H	α-helix	trans	-62.1	-38.3	174.3	0	0	0	0	0	112	R581 T582 L583 E587 G588 K589	R581-A585 WeakPolarHBondContact O-CB 3.28Å; R581-A585 PolarHBondContact O-N 2.85Å; T582-A585 WeakPolarHBondContact O-CB 3.38Å; T582-A585 PolarHBondContact O-N 3.1Å; L583-A585 VanDerWaalsContact C-N 3.31Å; L583-A585 PolarHBondContact O-N 3.13Å; A585-E587 VanDerWaalsContact C-N 3.26Å; A585-E587 PolarHBondContact O-N 2.85Å; A585-G588 PolarHBondContact O-N 3.35Å; A585-K589 PolarHBondContact N-O 3.25Å
586	T	84.1	Confident	87.3	Confident	122 Å²	122	78.1 Å²	78.1	75%	0.748	42%	0.418	S	S	*	.	H	α-helix	trans	-63.2	-31.8	173.3	-51.7	0	0	0	0	112.3	T582 L583 L584 G588	T582-T586 PolarHBondContact O-N 2.75Å; T582-T586 VanDerWaalsContact O-N 3.11Å; T582-T586 PolarHBondContact O-OG1 3.03Å; T582-T586 VanDerWaalsContact O-OG1 3.14Å; L583-T586 WeakPolarHBondContact O-CB 3.42Å; L583-T586 PolarHBondContact O-N 2.97Å; L583-T586 VanDerWaalsContact O-N 3.16Å; L584-T586 VanDerWaalsContact C-N 3.3Å; L584-T586 PolarHBondContact O-N 3.16Å; T586-G588 PolarHBondContact O-N 2.59Å
587	E	80.6	Confident	87.3	Confident	91 Å²	91	81.2 Å²	81.2	43%	0.425	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.7	173.4	-63.9	-177.5	-173.7	0	0	114	L583 L584 A585 K589	L583-E587 PolarHBondContact O-N 3.1Å; L584-E587 CarbonylContact O-C 3.55Å; L584-E587 WeakPolarHBondContact O-CA 3.46Å; L584-E587 WeakPolarHBondContact O-CB 3.31Å; L584-E587 PolarHBondContact O-N 3.24Å; L584-E587 VanDerWaalsContact O-N 3.08Å; A585-E587 VanDerWaalsContact C-N 3.26Å; A585-E587 PolarHBondContact O-N 2.85Å; E587-K589 HydrophobicContact CB-CD 4.46Å; E587-K589 HydrophobicContact CB-CG 4.47Å; E587-K589 PolarHBondContact O-N 2.73Å; E587-K589 IonicContact OE2-NZ 3.95Å; E587-K589 PolarHBondContact OE2-NZ 2.82Å
588	G	82.2	Confident	87.4	Confident	67 Å²	67	82 Å²	82	69%	0.691	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	14.4	-175.5	0	0	0	0	0	114.1	L584 A585 T586	L584-G588 PolarHBondContact O-N 3.48Å; A585-G588 PolarHBondContact O-N 3.35Å; T586-G588 PolarHBondContact O-N 2.59Å
589	K	83.6	Confident	87.5	Confident	94 Å²	94	75 Å²	75	41%	0.409	39%	0.394	S	S	.	.			trans	-102	115.6	176.9	-64.9	173.9	-170.1	154.4	0	110	L584 A585 E587	L584-K589 CarbonylContact C-O 3.06Å; L584-K589 HydrophobicContact CB-CB 4.23Å; L584-K589 WeakPolarHBondContact CB-O 3.49Å; L584-K589 HydrophobicContact CD2-CB 4.42Å; L584-K589 HydrophobicContact CD2-CD 4.13Å; L584-K589 CarbonylContact O-C 3.54Å; L584-K589 WeakPolarHBondContact O-CA 3.29Å; L584-K589 PolarHBondContact O-N 2.9Å; A585-K589 PolarHBondContact N-O 3.25Å; E587-K589 HydrophobicContact CB-CD 4.46Å; E587-K589 HydrophobicContact CB-CG 4.47Å; E587-K589 PolarHBondContact O-N 2.73Å; E587-K589 IonicContact OE2-NZ 3.95Å; E587-K589 PolarHBondContact OE2-NZ 2.82Å
590	T	83	Confident	87.5	Confident	131 Å²	131	74.1 Å²	74.1	80%	0.804	40%	0.397	S	S	*	.			trans	-104.5	100.3	173.7	55.8	0	0	0	0	110
591	L	82.8	Confident	87.7	Confident	43 Å²	43	78 Å²	78	23%	0.225	42%	0.415	C	S	.	.			trans	-83.8	150.8	172.8	-63.5	-175.2	0	0	0	111.3	N464 L584 E595 L596	N464-L591 HydrophobicContact CB-CD1 4.46Å; L584-L591 HydrophobicContact CD1-CD1 3.34Å; L584-L591 HydrophobicContact CD1-CG 3.85Å; L591-E595 WeakPolarHBondContact CA-OE2 3.4Å; L591-E595 HydrophobicContact CB-CB 4.26Å; L591-E595 VanDerWaalsContact CD2-OE2 3.31Å; L591-E595 WeakPolarHBondContact CD2-OE2 3.4Å; L591-L596 HydrophobicContact CB-CD2 4.19Å; L591-L596 HydrophobicContact CB-CG 4.08Å; L591-L596 HydrophobicContact CD1-CD2 4.17Å
592	K	88.3	Confident	87.9	Confident	131 Å²	131	75.3 Å²	75.3	57%	0.57	41%	0.407	S	S	*	.			trans	-70.9	153.5	173.2	-65.1	178	-177.4	169.9	0	110.7	E594 E595 L596	K592-E594 WeakPolarHBondContact CB-OE2 3.45Å; K592-E594 PolarHBondContact O-N 2.94Å; K592-E594 VanDerWaalsContact O-N 3.16Å; K592-E595 HydrophobicContact CB-CG 4.3Å; K592-E595 PolarHBondContact N-OE2 3.04Å; K592-E595 VanDerWaalsContact N-OE2 3.08Å; K592-E595 PolarHBondContact O-N 3.26Å; K592-E595 VanDerWaalsContact O-N 3.1Å; K592-L596 PolarHBondContact O-N 3.34Å; K592-L596 VanDerWaalsContact O-N 3.11Å
593	P	87.4	Confident	88.1	Confident	64 Å²	64	72.1 Å²	72.1	42%	0.416	39%	0.388	S	S	.	.	H	α-helix	trans	-53	-35.1	176.2	-26.4	35.4	0	0	0	113.9	Q577 K597	Q577-P593 PolarHBondContact NE2-O 2.96Å; P593-K597 PolarHBondContact O-N 3.02Å; P593-K597 VanDerWaalsContact O-N 3.12Å
594	E	89.8	Confident	88.4	Confident	132 Å²	132	78.2 Å²	78.2	62%	0.617	41%	0.41	S	S	*	.	H	α-helix	trans	-66.9	-41.7	178.8	-61.9	71.4	-154.1	0	0	111.9	K592 K597 E598	K592-E594 WeakPolarHBondContact CB-OE2 3.45Å; K592-E594 PolarHBondContact O-N 2.94Å; K592-E594 VanDerWaalsContact O-N 3.16Å; E594-K597 PolarHBondContact O-N 2.86Å; E594-E598 PolarHBondContact O-N 2.74Å
595	E	89.4	Confident	88.7	Confident	71 Å²	71	82.6 Å²	82.6	33%	0.332	43%	0.43	S	S	.	.	H	α-helix	trans	-68	-39.3	178.3	-67	165.8	-175	0	0	111	L591 K592 K597 E598 V599	L591-E595 WeakPolarHBondContact CA-OE2 3.4Å; L591-E595 HydrophobicContact CB-CB 4.26Å; L591-E595 VanDerWaalsContact CD2-OE2 3.31Å; L591-E595 WeakPolarHBondContact CD2-OE2 3.4Å; K592-E595 HydrophobicContact CB-CG 4.3Å; K592-E595 PolarHBondContact N-OE2 3.04Å; K592-E595 VanDerWaalsContact N-OE2 3.08Å; K592-E595 PolarHBondContact O-N 3.26Å; K592-E595 VanDerWaalsContact O-N 3.1Å; E595-K597 VanDerWaalsContact C-N 3.32Å; E595-K597 PolarHBondContact O-N 2.87Å; E595-E598 WeakPolarHBondContact O-CB 3.28Å; E595-E598 PolarHBondContact O-N 3.4Å; E595-V599 WeakPolarHBondContact O-CG2 3.23Å; E595-V599 PolarHBondContact O-N 2.92Å
596	L	89.3	Confident	89	Confident	3 Å²	3	80.9 Å²	80.9	2%	0.016	41%	0.412	C	S	.	.	H	α-helix	trans	-62.2	-41.5	174.6	-70.1	168.1	0	0	0	111.6	Q577 L580 R581 L584 L591 K592 E598 V599 T600	Q577-L596 HydrophobicContact CG-CB 3.8Å; L580-L596 HydrophobicContact CB-CD2 4.34Å; L580-L596 HydrophobicContact CD2-CD2 3.81Å; L580-L596 HydrophobicContact CG-CD2 3.79Å; R581-L596 HydrophobicContact CB-CD1 3.76Å; R581-L596 HydrophobicContact CB-CD2 4.47Å; R581-L596 HydrophobicContact CG-CD1 4Å; L584-L596 HydrophobicContact CD1-CD2 3.9Å; L591-L596 HydrophobicContact CB-CD2 4.19Å; L591-L596 HydrophobicContact CB-CG 4.08Å; L591-L596 HydrophobicContact CD1-CD2 4.17Å; K592-L596 PolarHBondContact O-N 3.34Å; K592-L596 VanDerWaalsContact O-N 3.11Å; L596-E598 VanDerWaalsContact C-N 3.33Å; L596-V599 PolarHBondContact O-N 3.46Å; L596-T600 PolarHBondContact O-N 3.41Å; L596-T600 PolarHBondContact O-OG1 3.18Å
597	K	90.9	Very high	89.3	Confident	135 Å²	135	78.6 Å²	78.6	59%	0.587	39%	0.393	S	S	*	.	H	α-helix	trans	-64.7	-39.7	175	-174.8	179	178.1	-179.3	0	111.4	P593 E594 E595 V599 T600 E601	P593-K597 PolarHBondContact O-N 3.02Å; P593-K597 VanDerWaalsContact O-N 3.12Å; E594-K597 PolarHBondContact O-N 2.86Å; E595-K597 VanDerWaalsContact C-N 3.32Å; E595-K597 PolarHBondContact O-N 2.87Å; K597-V599 VanDerWaalsContact C-N 3.32Å; K597-V599 PolarHBondContact O-N 3.12Å; K597-T600 PolarHBondContact O-N 2.87Å; K597-E601 PolarHBondContact O-N 3.06Å
598	E	92.3	Very high	89.7	Confident	98 Å²	98	79.8 Å²	79.8	46%	0.458	40%	0.4	S	S	.	.	H	α-helix	trans	-61.5	-38.8	176.8	-168.1	-173.9	163.7	0	0	112.1	E594 E595 L596 E601 K602	E594-E598 PolarHBondContact O-N 2.74Å; E595-E598 WeakPolarHBondContact O-CB 3.28Å; E595-E598 PolarHBondContact O-N 3.4Å; L596-E598 VanDerWaalsContact C-N 3.33Å; E598-E601 PolarHBondContact O-N 2.94Å; E598-K602 HydrophobicContact CG-CD 4.1Å; E598-K602 HydrophobicContact CG-CG 4.48Å; E598-K602 VanDerWaalsContact O-CB 3.27Å; E598-K602 WeakPolarHBondContact O-CB 3.32Å; E598-K602 VanDerWaalsContact O-CG 3.26Å; E598-K602 WeakPolarHBondContact O-CG 3.19Å; E598-K602 PolarHBondContact O-N 3.11Å; E598-K602 WeakPolarHBondContact OE1-CE 3.15Å; E598-K602 IonicContact OE1-NZ 2.69Å; E598-K602 PolarHBondContact OE1-NZ 3.17Å
599	V	91.9	Very high	90.1	Very high	10 Å²	10	80.5 Å²	80.5	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-61.1	-47.3	175.5	174.5	0	0	0	0	111.1	P462 A463 N464 P574 L580 E595 L596 K597 K602 A603	P462-V599 HydrophobicContact CB-CG1 4.25Å; P462-V599 HydrophobicContact CG-CG1 3.96Å; A463-V599 WeakPolarHBondContact O-CG2 3.29Å; N464-V599 HydrophobicContact CB-CG2 4.44Å; P574-V599 HydrophobicContact CB-CG1 3.98Å; P574-V599 HydrophobicContact CG-CG1 4.12Å; L580-V599 HydrophobicContact CD2-CB 4.04Å; L580-V599 HydrophobicContact CD2-CG1 3.76Å; E595-V599 WeakPolarHBondContact O-CG2 3.23Å; E595-V599 PolarHBondContact O-N 2.92Å; L596-V599 PolarHBondContact O-N 3.46Å; K597-V599 VanDerWaalsContact C-N 3.32Å; K597-V599 PolarHBondContact O-N 3.12Å; V599-K602 PolarHBondContact O-N 2.91Å; V599-A603 PolarHBondContact O-N 3.45Å
600	T	91.4	Very high	90.5	Very high	53 Å²	53	78.9 Å²	78.9	33%	0.325	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-41.6	179.5	-51.8	0	0	0	0	112.2	L596 K597 A603 R604	L596-T600 PolarHBondContact O-N 3.41Å; L596-T600 PolarHBondContact O-OG1 3.18Å; K597-T600 PolarHBondContact O-N 2.87Å; T600-A603 WeakPolarHBondContact O-CB 3.42Å; T600-A603 PolarHBondContact O-N 3.48Å; T600-R604 PolarHBondContact O-N 3.33Å
601	E	93.3	Very high	90.8	Very high	86 Å²	86	74.4 Å²	74.4	40%	0.402	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-43.4	177.3	-168.4	62	-143.5	0	0	111	K597 E598 A603 R604 E605	K597-E601 PolarHBondContact O-N 3.06Å; E598-E601 PolarHBondContact O-N 2.94Å; E601-A603 VanDerWaalsContact C-N 3.31Å; E601-A603 PolarHBondContact O-N 2.96Å; E601-R604 WeakPolarHBondContact O-CB 3.42Å; E601-R604 PolarHBondContact O-N 2.97Å; E601-R604 IonicContact OE1-NE 3.05Å; E601-E605 WeakPolarHBondContact O-CG 3.22Å; E601-E605 PolarHBondContact O-N 3.32Å
602	K	93.8	Very high	91.2	Very high	91 Å²	91	73.7 Å²	73.7	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-60.3	-39.8	174.1	-78.3	175.2	170	171.1	0	112.2	P462 E598 V599 R604 E605 M606	P462-K602 HydrophobicContact CB-CB 4.02Å; E598-K602 HydrophobicContact CG-CD 4.1Å; E598-K602 HydrophobicContact CG-CG 4.48Å; E598-K602 VanDerWaalsContact O-CB 3.27Å; E598-K602 WeakPolarHBondContact O-CB 3.32Å; E598-K602 VanDerWaalsContact O-CG 3.26Å; E598-K602 WeakPolarHBondContact O-CG 3.19Å; E598-K602 PolarHBondContact O-N 3.11Å; E598-K602 WeakPolarHBondContact OE1-CE 3.15Å; E598-K602 IonicContact OE1-NZ 2.69Å; E598-K602 PolarHBondContact OE1-NZ 3.17Å; V599-K602 PolarHBondContact O-N 2.91Å; K602-R604 VanDerWaalsContact C-N 3.35Å; K602-E605 PolarHBondContact O-N 3.41Å; K602-M606 WeakPolarHBondContact O-CB 3.46Å; K602-M606 WeakPolarHBondContact O-CG 3.35Å; K602-M606 PolarHBondContact O-N 3.31Å
603	A	94.3	Very high	91.4	Very high	4 Å²	4	69 Å²	69	3%	0.033	33%	0.328	C	S	.	.	H	α-helix	trans	-58.3	-49.5	174.6	0	0	0	0	0	111.2	P462 F571 P574 V599 T600 E601 E605 M606 E607	P462-A603 HydrophobicContact CG-CB 3.96Å; F571-A603 HydrophobicContact CZ-CB 4.31Å; P574-A603 VanDerWaalsContact CD-CB 3.42Å; P574-A603 HydrophobicContact CG-CB 3.55Å; V599-A603 PolarHBondContact O-N 3.45Å; T600-A603 WeakPolarHBondContact O-CB 3.42Å; T600-A603 PolarHBondContact O-N 3.48Å; E601-A603 VanDerWaalsContact C-N 3.31Å; E601-A603 PolarHBondContact O-N 2.96Å; A603-E605 PolarHBondContact O-N 3.43Å; A603-M606 WeakPolarHBondContact O-CB 3.34Å; A603-M606 PolarHBondContact O-N 3.07Å; A603-M606 VanDerWaalsContact O-N 3.12Å; A603-E607 PolarHBondContact O-N 3.01Å
604	R	93.7	Very high	91.7	Very high	153 Å²	153	66.6 Å²	66.6	58%	0.577	31%	0.312	S	S	*	.	H	α-helix	trans	-61.3	-42.7	179.2	-176.8	-173.5	137.5	80.8	7.2	111.9	T600 E601 K602 M606 E607 M608	T600-R604 PolarHBondContact O-N 3.33Å; E601-R604 WeakPolarHBondContact O-CB 3.42Å; E601-R604 PolarHBondContact O-N 2.97Å; E601-R604 IonicContact OE1-NE 3.05Å; K602-R604 VanDerWaalsContact C-N 3.35Å; R604-M606 VanDerWaalsContact C-N 3.34Å; R604-E607 PolarHBondContact O-N 2.94Å; R604-M608 VanDerWaalsContact O-CB 3.31Å; R604-M608 WeakPolarHBondContact O-CB 3.31Å; R604-M608 PolarHBondContact O-N 2.91Å
605	E	93.6	Very high	91.9	Very high	98 Å²	98	61.9 Å²	61.9	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-40.8	173.7	-73.7	-178.8	171.9	0	0	112	E601 K602 A603 N609	E601-E605 WeakPolarHBondContact O-CG 3.22Å; E601-E605 PolarHBondContact O-N 3.32Å; K602-E605 PolarHBondContact O-N 3.41Å; A603-E605 PolarHBondContact O-N 3.43Å; E605-N609 WeakPolarHBondContact O-CB 3.31Å; E605-N609 PolarHBondContact O-N 2.6Å; E605-N609 VanDerWaalsContact O-N 3.08Å; E605-N609 PolarHBondContact O-ND2 2.87Å; E605-N609 VanDerWaalsContact O-ND2 3.07Å
606	M	93.6	Very high	92.2	Very high	21 Å²	21	59.3 Å²	59.3	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-45.3	177.6	-71.9	170	79.9	0	0	111.6	P462 T554 F571 K602 A603 R604 Y610	P462-M606 HydrophobicContact CB-SD 4.21Å; T554-M606 HydrophobicContact CG2-CB 4.28Å; T554-M606 HydrophobicContact CG2-CE 3.2Å; T554-M606 HydrophobicContact CG2-CG 4.09Å; T554-M606 HydrophobicContact CG2-SD 4.5Å; F571-M606 HydrophobicContact CE2-CB 3.9Å; F571-M606 HydrophobicContact CE2-CE 4.1Å; F571-M606 HydrophobicContact CE2-SD 4.32Å; F571-M606 HydrophobicContact CZ-CB 4.33Å; K602-M606 WeakPolarHBondContact O-CB 3.46Å; K602-M606 WeakPolarHBondContact O-CG 3.35Å; K602-M606 PolarHBondContact O-N 3.31Å; A603-M606 WeakPolarHBondContact O-CB 3.34Å; A603-M606 PolarHBondContact O-N 3.07Å; A603-M606 VanDerWaalsContact O-N 3.12Å; R604-M606 VanDerWaalsContact C-N 3.34Å; M606-Y610 WeakPolarHBondContact O-CA 3.44Å; M606-Y610 WeakPolarHBondContact O-CB 3.34Å; M606-Y610 PolarHBondContact O-N 2.66Å
607	E	90.9	Very high	92.5	Very high	74 Å²	74	62.6 Å²	62.6	35%	0.346	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-46.7	176.1	-70.9	179.6	126.5	0	0	111.6	F571 A603 R604 N609 S611	F571-E607 HydrophobicContact CD1-CG 3.92Å; F571-E607 HydrophobicContact CE1-CG 3.27Å; F571-E607 WeakPolarHBondContact CE1-OE1 3.42Å; F571-E607 HydrophobicContact CZ-CG 3.64Å; A603-E607 PolarHBondContact O-N 3.01Å; R604-E607 PolarHBondContact O-N 2.94Å; E607-N609 VanDerWaalsContact C-N 3.31Å; E607-N609 PolarHBondContact O-N 3.17Å; E607-S611 WeakPolarHBondContact O-CB 3.21Å; E607-S611 PolarHBondContact O-N 3.06Å; E607-S611 PolarHBondContact O-OG 3.08Å
608	M	88.8	Confident	92.8	Very high	117 Å²	117	56.4 Å²	56.4	58%	0.576	28%	0.275	S	S	*	.	H	α-helix	trans	-58.7	-44.1	-179.5	-173.3	178.2	71.8	0	0	111.9	R604	R604-M608 VanDerWaalsContact O-CB 3.31Å; R604-M608 WeakPolarHBondContact O-CB 3.31Å; R604-M608 PolarHBondContact O-N 2.91Å
609	N	89.6	Confident	93	Very high	81 Å²	81	55.9 Å²	55.9	43%	0.433	28%	0.279	S	S	.	.	H	α-helix	trans	-91.4	-26.6	-172.1	-65.1	-34.1	0	0	0	113.9	E605 E607 H612	E605-N609 WeakPolarHBondContact O-CB 3.31Å; E605-N609 PolarHBondContact O-N 2.6Å; E605-N609 VanDerWaalsContact O-N 3.08Å; E605-N609 PolarHBondContact O-ND2 2.87Å; E605-N609 VanDerWaalsContact O-ND2 3.07Å; E607-N609 VanDerWaalsContact C-N 3.31Å; E607-N609 PolarHBondContact O-N 3.17Å; N609-H612 PolarHBondContact O-CE1 2.63Å; N609-H612 PolarHBondContact O-ND1 2.86Å
610	Y	91.7	Very high	93.1	Very high	61 Å²	61	56 Å²	56	24%	0.239	28%	0.279	C	S	.	.	H	α-helix	trans	-129.1	2.5	-168.7	-57.4	-79.5	0	0	0	114.6	T554 M606 H612 F613 F614	T554-Y610 HydrophobicContact CG2-CD2 3.98Å; T554-Y610 HydrophobicContact CG2-CG 4.12Å; M606-Y610 WeakPolarHBondContact O-CA 3.44Å; M606-Y610 WeakPolarHBondContact O-CB 3.34Å; M606-Y610 PolarHBondContact O-N 2.66Å; Y610-H612 PolarHBondContact O-N 3.4Å; Y610-H612 VanDerWaalsContact O-N 3.08Å; Y610-F613 AromaticContact CD1-CD2 3.94Å; Y610-F613 HydrophobicContact CD1-CD2 3.94Å; Y610-F613 HydrophobicContact CD1-CE2 4.06Å; Y610-F613 WeakPolarHBondContact O-CB 3.44Å; Y610-F613 PolarHBondContact O-N 2.7Å; Y610-F614 WeakPolarHBondContact O-CD1 3.47Å; Y610-F614 WeakPolarHBondContact O-CE1 3.4Å
611	S	90.8	Very high	93.1	Very high	36 Å²	36	58.6 Å²	58.6	25%	0.252	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.3	-23.9	-177.9	66.7	0	0	0	0	114.9	K353 E607 F613 F614	K353-S611 VanDerWaalsContact CE-OG 3.3Å; K353-S611 WeakPolarHBondContact CE-OG 3.49Å; K353-S611 PolarHBondContact NZ-OG 2.87Å; E607-S611 WeakPolarHBondContact O-CB 3.21Å; E607-S611 PolarHBondContact O-N 3.06Å; E607-S611 PolarHBondContact O-OG 3.08Å; S611-F613 PolarHBondContact O-N 2.76Å; S611-F613 VanDerWaalsContact O-N 3.16Å; S611-F614 VanDerWaalsContact CA-CD2 3.48Å; S611-F614 PolarHBondContact O-N 3.28Å; S611-F614 VanDerWaalsContact O-N 3.11Å
612	H	90.1	Very high	93.1	Very high	29 Å²	29	56.6 Å²	56.6	13%	0.134	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-65.2	-12.1	172.8	66	-82.1	0	0	0	113.8	Y331 L439 N609 Y610	Y331-H612 HydrophobicContact CD1-CB 3.55Å; Y331-H612 HydrophobicContact CD2-CB 4.44Å; Y331-H612 HydrophobicContact CE1-CB 3.53Å; Y331-H612 HydrophobicContact CE2-CB 4.36Å; Y331-H612 HydrophobicContact CG-CB 4.06Å; Y331-H612 PolarHBondContact OH-O 2.97Å; L439-H612 HydrophobicContact CD1-CB 4.45Å; L439-H612 HydrophobicContact CD2-CB 4.5Å; N609-H612 PolarHBondContact O-CE1 2.63Å; N609-H612 PolarHBondContact O-ND1 2.86Å; Y610-H612 PolarHBondContact O-N 3.4Å; Y610-H612 VanDerWaalsContact O-N 3.08Å
613	F	92.3	Very high	93	Very high	31 Å²	31	54.1 Å²	54.1	14%	0.136	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-98.3	-9.9	174.2	-65.1	-40.4	0	0	0	114.1	L557 R558 R561 V569 Y610 S611	L557-F613 HydrophobicContact CB-CB 4.38Å; L557-F613 HydrophobicContact CB-CD2 4.08Å; L557-F613 HydrophobicContact CB-CG 4.42Å; L557-F613 HydrophobicContact CD1-CB 4.09Å; R558-F613 HydrophobicContact CB-CZ 4.47Å; R561-F613 VanDerWaalsContact NE-CD1 3.25Å; V569-F613 WeakPolarHBondContact CB-O 3.46Å; Y610-F613 AromaticContact CD1-CD2 3.94Å; Y610-F613 HydrophobicContact CD1-CD2 3.94Å; Y610-F613 HydrophobicContact CD1-CE2 4.06Å; Y610-F613 WeakPolarHBondContact O-CB 3.44Å; Y610-F613 PolarHBondContact O-N 2.7Å; S611-F613 PolarHBondContact O-N 2.76Å; S611-F613 VanDerWaalsContact O-N 3.16Å
614	F	94	Very high	93.1	Very high	15 Å²	15	58.1 Å²	58.1	7%	0.066	29%	0.292	C	S	.	.			trans	-85.9	141.9	-177.9	-49.7	-22.3	0	0	0	109.7	V460 T554 L557 V569 F571 Y610 S611	V460-F614 HydrophobicContact CG2-CD1 4.04Å; V460-F614 HydrophobicContact CG2-CE1 3.78Å; V460-F614 HydrophobicContact CG2-CZ 4.41Å; T554-F614 HydrophobicContact CG2-CE1 4.34Å; T554-F614 HydrophobicContact CG2-CZ 4.33Å; L557-F614 HydrophobicContact CD1-CD1 4.18Å; L557-F614 HydrophobicContact CD1-CE1 3.72Å; V569-F614 HydrophobicContact CG1-CD1 3.85Å; F571-F614 HydrophobicContact CB-CB 4.35Å; F571-F614 HydrophobicContact CB-CD1 4.26Å; F571-F614 HydrophobicContact CB-CD2 3.35Å; F571-F614 HydrophobicContact CB-CE1 4.47Å; F571-F614 HydrophobicContact CB-CE2 3.6Å; F571-F614 HydrophobicContact CB-CG 3.74Å; F571-F614 HydrophobicContact CB-CZ 4.18Å; F571-F614 HydrophobicContact CD1-CD2 4.28Å; F571-F614 HydrophobicContact CD1-CE2 4.02Å; F571-F614 HydrophobicContact CD2-CD2 4.25Å; F571-F614 HydrophobicContact CD2-CE1 4.43Å; F571-F614 AromaticContact CD2-CE2 3.56Å; F571-F614 HydrophobicContact CD2-CE2 3.56Å; F571-F614 AromaticContact CD2-CZ 3.68Å; F571-F614 HydrophobicContact CD2-CZ 3.68Å; F571-F614 HydrophobicContact CE2-CE2 4.22Å; F571-F614 HydrophobicContact CE2-CZ 4.31Å; F571-F614 AromaticContact CG-CD2 3.72Å; F571-F614 HydrophobicContact CG-CD2 3.72Å; F571-F614 AromaticContact CG-CE2 3.45Å; F571-F614 HydrophobicContact CG-CE2 3.45Å; F571-F614 VanDerWaalsContact CG-CE2 3.45Å; F571-F614 HydrophobicContact CG-CZ 4.02Å; Y610-F614 WeakPolarHBondContact O-CD1 3.47Å; Y610-F614 WeakPolarHBondContact O-CE1 3.4Å; S611-F614 VanDerWaalsContact CA-CD2 3.48Å; S611-F614 PolarHBondContact O-N 3.28Å; S611-F614 VanDerWaalsContact O-N 3.11Å
615	D	94.8	Very high	93.2	Very high	33 Å²	33	57.4 Å²	57.4	18%	0.176	30%	0.295	C	S	.	.	S	Bend	trans	-94.7	-28.6	172.1	-62.9	-70.5	0	0	0	111.4	Y568 V569	Y568-D615 WeakPolarHBondContact CA-OD2 3.4Å; Y568-D615 HydrophobicContact CD2-CB 3.6Å; Y568-D615 HydrophobicContact CE2-CB 3.35Å; Y568-D615 HydrophobicContact CG-CB 4.35Å; V569-D615 PolarHBondContact N-OD2 3.47Å; V569-D615 PolarHBondContact O-N 3.11Å
616	A	95.1	Very high	93.3	Very high	17 Å²	17	53 Å²	53	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	157	176.8	0	0	0	0	0	111.7	V569 V570 F571 L633	V569-A616 PolarHBondContact O-N 3.5Å; V570-A616 WeakPolarHBondContact CA-O 3.47Å; V570-A616 HydrophobicContact CG1-CB 4.46Å; F571-A616 PolarHBondContact N-O 3.17Å; A616-L633 HydrophobicContact CB-CD1 3.8Å; A616-L633 HydrophobicContact CB-CD2 4.29Å
617	T	95.5	Very high	93.5	Very high	72 Å²	72	52.3 Å²	52.3	44%	0.442	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.8	172.5	-65.3	0	0	0	0	109.8	F571 A573	F571-T617 HydrophobicContact CD1-CG2 3.82Å; F571-T617 CarbonylContact O-C 3.49Å; F571-T617 VanDerWaalsContact O-CA 3.31Å; F571-T617 WeakPolarHBondContact O-CA 3.49Å; A573-T617 HydrophobicContact CB-CG2 4.11Å
618	V	97.1	Very high	93.7	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.2	174.6	178.9	0	0	0	0	108.6	V570 F571 I572 A573 A626 E629 L633	V570-V618 HydrophobicContact CG1-CG2 3.84Å; F571-V618 PolarHBondContact O-N 3.17Å; I572-V618 CarbonylContact C-O 3.55Å; I572-V618 WeakPolarHBondContact CA-O 3.47Å; I572-V618 HydrophobicContact CD1-CB 3.97Å; A573-V618 PolarHBondContact N-O 3.19Å; V618-A626 HydrophobicContact CG1-CB 3.93Å; V618-E629 HydrophobicContact CG2-CG 4.25Å; V618-L633 HydrophobicContact CG2-CD1 3.66Å
619	V	96.2	Very high	94.2	Very high	87 Å²	87	52.1 Å²	52.1	53%	0.527	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117	175.5	-175.8	0	0	0	0	109	A573 F621	A573-V619 HydrophobicContact CB-CG2 4.23Å; V619-F621 PolarHBondContact O-N 3.35Å
620	N	94.1	Very high	94.5	Very high	12 Å²	12	48.2 Å²	48.2	6%	0.064	25%	0.249	C	C	.	.			trans	-81.6	63.2	-178.5	-171.5	21.2	0	0	0	112.3	S465 I572 A573 P575 P623 A626	S465-N620 WeakPolarHBondContact O-CB 3.35Å; S465-N620 PolarHBondContact O-ND2 2.97Å; I572-N620 HydrophobicContact CG2-CB 4.16Å; A573-N620 PolarHBondContact O-N 3.31Å; P575-N620 VanDerWaalsContact CD-O 3.31Å; P575-N620 WeakPolarHBondContact CD-O 3.37Å; P575-N620 VanDerWaalsContact CG-O 3.28Å; P575-N620 WeakPolarHBondContact CG-O 3.1Å; N620-P623 WeakPolarHBondContact OD1-CA 3.47Å; N620-A626 HydrophobicContact CB-CB 4.4Å
621	F	92.7	Very high	94.7	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.474	24%	0.244	S	C	.	.	S	Bend	trans	-77.3	-40.2	176.5	-173.2	-88	0	0	0	112.8	P575 R579 V619	P575-F621 HydrophobicContact CB-CB 4.36Å; P575-F621 HydrophobicContact CB-CD2 4.08Å; R579-F621 HydrophobicContact CB-CD2 4.44Å; R579-F621 HydrophobicContact CB-CE2 4.14Å; R579-F621 HydrophobicContact CG-CD2 3.84Å; R579-F621 HydrophobicContact CG-CE2 3.74Å; R579-F621 HydrophobicContact CG-CG 4.37Å; R579-F621 HydrophobicContact CG-CZ 4.21Å; R579-F621 PolarHBondContact NE-O 3.34Å; R579-F621 PolarHBondContact NH2-O 3.49Å; R579-F621 VanDerWaalsContact NH2-O 3.17Å; V619-F621 PolarHBondContact O-N 3.35Å
622	D	93.3	Very high	95	Very high	43 Å²	43	50.5 Å²	50.5	23%	0.23	25%	0.253	C	S	.	.	S	Bend	trans	-130.4	121.3	173.3	179.5	-94.2	0	0	0	108.7	R579 D624 Q625 A626	R579-D622 IonicContact NH2-OD2 2.63Å; D622-D624 VanDerWaalsContact C-N 3.25Å; D622-D624 PolarHBondContact O-N 3.36Å; D622-D624 WeakPolarHBondContact OD1-CB 3.47Å; D622-D624 PolarHBondContact OD1-N 2.91Å; D622-D624 VanDerWaalsContact OD1-N 3.13Å; D622-Q625 HydrophobicContact CB-CB 4.11Å; D622-Q625 HydrophobicContact CB-CG 4.14Å; D622-Q625 PolarHBondContact O-N 3.29Å; D622-Q625 WeakPolarHBondContact OD1-CG 3.4Å; D622-Q625 PolarHBondContact OD1-N 2.91Å; D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.43Å; D622-A626 PolarHBondContact O-N 3.5Å
623	P	92	Very high	95.3	Very high	40 Å²	40	49.9 Å²	49.9	26%	0.26	25%	0.251	S	S	.	.	H	α-helix	trans	-61.2	-29.8	-174.4	-26.6	35.3	0	0	0	114.6	L583 N620 F627	L583-P623 HydrophobicContact CD2-CG 4.11Å; N620-P623 WeakPolarHBondContact OD1-CA 3.47Å; P623-F627 WeakPolarHBondContact O-CB 3.26Å; P623-F627 PolarHBondContact O-N 3.49Å; P623-F627 VanDerWaalsContact O-N 3.09Å
624	D	94.7	Very high	95.5	Very high	88 Å²	88	48.4 Å²	48.4	47%	0.471	24%	0.244	S	C	.	.	H	α-helix	trans	-75.4	-46.4	178.1	-71.3	-46.7	0	0	0	111	R473 D622 F627 Q628	R473-D624 IonicContact CZ-OD1 3.92Å; R473-D624 IonicContact NH1-OD1 3.1Å; R473-D624 PolarHBondContact NH1-OD1 2.86Å; R473-D624 IonicContact NH2-OD1 2.6Å; R473-D624 PolarHBondContact NH2-OD1 3.39Å; D622-D624 VanDerWaalsContact C-N 3.25Å; D622-D624 PolarHBondContact O-N 3.36Å; D622-D624 WeakPolarHBondContact OD1-CB 3.47Å; D622-D624 PolarHBondContact OD1-N 2.91Å; D622-D624 VanDerWaalsContact OD1-N 3.13Å; D624-F627 PolarHBondContact O-N 2.92Å; D624-Q628 WeakPolarHBondContact O-CG 3.44Å; D624-Q628 PolarHBondContact O-N 3.37Å
625	Q	96.1	Very high	95.5	Very high	138 Å²	138	50.6 Å²	50.6	65%	0.645	26%	0.257	S	S	*	.	H	α-helix	trans	-63.8	-42.8	175.5	-65.9	-178.1	3.5	0	0	112.1	D622 F627 Q628 E629	D622-Q625 HydrophobicContact CB-CB 4.11Å; D622-Q625 HydrophobicContact CB-CG 4.14Å; D622-Q625 PolarHBondContact O-N 3.29Å; D622-Q625 WeakPolarHBondContact OD1-CG 3.4Å; D622-Q625 PolarHBondContact OD1-N 2.91Å; Q625-F627 VanDerWaalsContact C-N 3.28Å; Q625-F627 PolarHBondContact O-N 3.25Å; Q625-Q628 PolarHBondContact O-N 3.4Å; Q625-E629 WeakPolarHBondContact O-CB 3.46Å; Q625-E629 PolarHBondContact O-N 3.08Å
626	A	96.6	Very high	95.6	Very high	4 Å²	4	52 Å²	52	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-37.1	176.7	0	0	0	0	0	111.7	V618 N620 D622 L630	V618-A626 HydrophobicContact CG1-CB 3.93Å; N620-A626 HydrophobicContact CB-CB 4.4Å; D622-A626 VanDerWaalsContact O-CB 3.29Å; D622-A626 WeakPolarHBondContact O-CB 3.43Å; D622-A626 PolarHBondContact O-N 3.5Å; A626-L630 VanDerWaalsContact O-CB 3.29Å; A626-L630 WeakPolarHBondContact O-CB 3.46Å; A626-L630 PolarHBondContact O-N 3.41Å
627	F	96.6	Very high	95.6	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.035	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-45.6	173.9	178.3	-96.8	0	0	0	112.3	L470 R473 L474 L477 P623 D624 Q625 L630 L631	L470-F627 HydrophobicContact CD2-CB 3.77Å; L470-F627 HydrophobicContact CD2-CD2 4.24Å; R473-F627 HydrophobicContact CB-CD2 4.05Å; R473-F627 HydrophobicContact CB-CE2 3.9Å; R473-F627 VanDerWaalsContact CD-CD2 3.49Å; R473-F627 HydrophobicContact CG-CD2 3.75Å; R473-F627 HydrophobicContact CG-CE2 3.54Å; R473-F627 HydrophobicContact CG-CG 4.36Å; R473-F627 HydrophobicContact CG-CZ 4.03Å; L474-F627 HydrophobicContact CB-CE2 4.5Å; L474-F627 HydrophobicContact CD2-CD2 4.41Å; L474-F627 HydrophobicContact CD2-CE2 3.53Å; L474-F627 HydrophobicContact CD2-CZ 3.94Å; L474-F627 HydrophobicContact CG-CD2 4.5Å; L474-F627 HydrophobicContact CG-CE2 3.77Å; L477-F627 HydrophobicContact CD1-CE1 3.68Å; L477-F627 HydrophobicContact CD1-CE2 4.23Å; L477-F627 HydrophobicContact CD1-CZ 3.4Å; L477-F627 VanDerWaalsContact CD1-CZ 3.4Å; P623-F627 WeakPolarHBondContact O-CB 3.26Å; P623-F627 PolarHBondContact O-N 3.49Å; P623-F627 VanDerWaalsContact O-N 3.09Å; D624-F627 PolarHBondContact O-N 2.92Å; Q625-F627 VanDerWaalsContact C-N 3.28Å; Q625-F627 PolarHBondContact O-N 3.25Å; F627-L630 PolarHBondContact O-N 2.97Å; F627-L631 HydrophobicContact CE1-CD2 4.37Å; F627-L631 WeakPolarHBondContact O-CB 3.48Å; F627-L631 PolarHBondContact O-N 3.06Å
628	Q	96.8	Very high	95.5	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	25%	0.253	S	S	.	.	H	α-helix	trans	-63.3	-41.8	177.3	-68.3	-60.7	-38.4	0	0	111.8	D624 Q625 L631 R632	D624-Q628 WeakPolarHBondContact O-CG 3.44Å; D624-Q628 PolarHBondContact O-N 3.37Å; Q625-Q628 PolarHBondContact O-N 3.4Å; Q628-L631 PolarHBondContact O-N 3.26Å; Q628-R632 WeakPolarHBondContact O-CB 3.27Å; Q628-R632 PolarHBondContact O-N 3.05Å
629	E	97.4	Very high	95.4	Very high	72 Å²	72	56.3 Å²	56.3	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-65.9	-42.4	176.7	-179.4	57.1	-164.1	0	0	111.7	V618 Q625 L631 R632 L633	V618-E629 HydrophobicContact CG2-CG 4.25Å; Q625-E629 WeakPolarHBondContact O-CB 3.46Å; Q625-E629 PolarHBondContact O-N 3.08Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.19Å; E629-R632 WeakPolarHBondContact O-CB 3.48Å; E629-R632 PolarHBondContact O-N 2.85Å; E629-R632 IonicContact OE1-CZ 3.85Å; E629-R632 IonicContact OE1-NE 3.51Å; E629-R632 PolarHBondContact OE1-NE 3.43Å; E629-R632 IonicContact OE1-NH2 2.83Å; E629-R632 PolarHBondContact OE1-NH2 3.16Å; E629-R632 IonicContact OE2-CZ 3.78Å; E629-R632 IonicContact OE2-NE 3.41Å; E629-R632 PolarHBondContact OE2-NE 3.14Å; E629-R632 IonicContact OE2-NH2 2.94Å; E629-L633 HydrophobicContact CG-CD1 4.4Å; E629-L633 WeakPolarHBondContact O-CG 3.34Å; E629-L633 PolarHBondContact O-N 3.11Å
630	L	97.1	Very high	95.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-44.7	174.7	178	60.1	0	0	0	111.6	L459 L470 L474 V570 A626 F627 L633 V634	L459-L630 HydrophobicContact CD1-CD2 4.27Å; L459-L630 HydrophobicContact CD2-CD1 3.87Å; L459-L630 HydrophobicContact CD2-CD2 4.14Å; L470-L630 HydrophobicContact CB-CD2 4.01Å; L470-L630 HydrophobicContact CD1-CD2 4.29Å; L474-L630 HydrophobicContact CD1-CD2 3.73Å; L474-L630 HydrophobicContact CD1-CG 4.27Å; V570-L630 HydrophobicContact CB-CD1 4.33Å; V570-L630 HydrophobicContact CG1-CD1 4.03Å; V570-L630 HydrophobicContact CG2-CD1 4.2Å; A626-L630 VanDerWaalsContact O-CB 3.29Å; A626-L630 WeakPolarHBondContact O-CB 3.46Å; A626-L630 PolarHBondContact O-N 3.41Å; F627-L630 PolarHBondContact O-N 2.97Å; L630-L633 PolarHBondContact O-N 3.42Å; L630-V634 HydrophobicContact CD1-CG2 4.36Å; L630-V634 VanDerWaalsContact O-CG2 3.31Å; L630-V634 WeakPolarHBondContact O-CG2 3.5Å; L630-V634 PolarHBondContact O-N 3.05Å
631	L	95.8	Very high	95.4	Very high	28 Å²	28	57.9 Å²	57.9	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-62.6	-45.1	177.5	-173.6	61.7	0	0	0	111	L474 F482 F627 Q628 E629 L633 V634 D635	L474-L631 HydrophobicContact CD2-CD1 4.15Å; F482-L631 HydrophobicContact CZ-CD1 4.37Å; F627-L631 HydrophobicContact CE1-CD2 4.37Å; F627-L631 WeakPolarHBondContact O-CB 3.48Å; F627-L631 PolarHBondContact O-N 3.06Å; Q628-L631 PolarHBondContact O-N 3.26Å; E629-L631 VanDerWaalsContact C-N 3.34Å; E629-L631 PolarHBondContact O-N 3.19Å; L631-L633 VanDerWaalsContact C-N 3.34Å; L631-L633 PolarHBondContact O-N 3.28Å; L631-V634 PolarHBondContact O-N 3.41Å; L631-V634 VanDerWaalsContact O-N 3.16Å; L631-D635 WeakPolarHBondContact O-CB 3.41Å; L631-D635 VanDerWaalsContact O-CG 3.28Å; L631-D635 PolarHBondContact O-N 3.01Å
632	R	96.3	Very high	95.5	Very high	116 Å²	116	54.2 Å²	54.2	44%	0.438	27%	0.272	S	S	.	.	H	α-helix	trans	-57	-45.6	175.8	-169.6	-163.1	70.4	75	1.2	111.9	Q628 E629 V634 D635 K636	Q628-R632 WeakPolarHBondContact O-CB 3.27Å; Q628-R632 PolarHBondContact O-N 3.05Å; E629-R632 WeakPolarHBondContact O-CB 3.48Å; E629-R632 PolarHBondContact O-N 2.85Å; E629-R632 IonicContact OE1-CZ 3.85Å; E629-R632 IonicContact OE1-NE 3.51Å; E629-R632 PolarHBondContact OE1-NE 3.43Å; E629-R632 IonicContact OE1-NH2 2.83Å; E629-R632 PolarHBondContact OE1-NH2 3.16Å; E629-R632 IonicContact OE2-CZ 3.78Å; E629-R632 IonicContact OE2-NE 3.41Å; E629-R632 PolarHBondContact OE2-NE 3.14Å; E629-R632 IonicContact OE2-NH2 2.94Å; R632-V634 VanDerWaalsContact C-N 3.34Å; R632-D635 PolarHBondContact O-N 3.02Å; R632-K636 VanDerWaalsContact O-CB 3.28Å; R632-K636 WeakPolarHBondContact O-CB 3.31Å; R632-K636 PolarHBondContact O-N 3.16Å
633	L	96.9	Very high	95.6	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.084	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-41	177.2	-72.6	170.5	0	0	0	112	Y568 A616 V618 E629 L630 L631 K636	Y568-L633 HydrophobicContact CE1-CB 4.49Å; A616-L633 HydrophobicContact CB-CD1 3.8Å; A616-L633 HydrophobicContact CB-CD2 4.29Å; V618-L633 HydrophobicContact CG2-CD1 3.66Å; E629-L633 HydrophobicContact CG-CD1 4.4Å; E629-L633 WeakPolarHBondContact O-CG 3.34Å; E629-L633 PolarHBondContact O-N 3.11Å; L630-L633 PolarHBondContact O-N 3.42Å; L631-L633 VanDerWaalsContact C-N 3.34Å; L631-L633 PolarHBondContact O-N 3.28Å; L633-K636 WeakPolarHBondContact O-CB 3.48Å
634	V	95.8	Very high	95.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68.1	-43.4	177.9	171.3	0	0	0	0	111.5	V457 F482 I547 L630 L631 R632 K636 L637	V457-V634 HydrophobicContact CG1-CG2 4.25Å; V457-V634 HydrophobicContact CG2-CG2 4.1Å; F482-V634 HydrophobicContact CE1-CG1 3.93Å; F482-V634 HydrophobicContact CZ-CG1 4.05Å; I547-V634 HydrophobicContact CD1-CG1 3.54Å; L630-V634 HydrophobicContact CD1-CG2 4.36Å; L630-V634 VanDerWaalsContact O-CG2 3.31Å; L630-V634 WeakPolarHBondContact O-CG2 3.5Å; L630-V634 PolarHBondContact O-N 3.05Å; L631-V634 PolarHBondContact O-N 3.41Å; L631-V634 VanDerWaalsContact O-N 3.16Å; R632-V634 VanDerWaalsContact C-N 3.34Å; V634-K636 VanDerWaalsContact C-N 3.3Å; V634-K636 PolarHBondContact O-N 3.42Å; V634-L637 VanDerWaalsContact O-CB 3.26Å; V634-L637 WeakPolarHBondContact O-CB 3.46Å; V634-L637 WeakPolarHBondContact O-CG 3.4Å; V634-L637 PolarHBondContact O-N 3.49Å
635	D	94.7	Very high	95.7	Very high	62 Å²	62	48.1 Å²	48.1	33%	0.332	24%	0.235	S	C	.	.	H	α-helix	trans	-65.8	-36	179.3	-71.1	-14.9	0	0	0	111.9	K481 L631 R632 L637 D638	K481-D635 IonicContact NZ-OD1 2.73Å; K481-D635 PolarHBondContact NZ-OD1 3.38Å; L631-D635 WeakPolarHBondContact O-CB 3.41Å; L631-D635 VanDerWaalsContact O-CG 3.28Å; L631-D635 PolarHBondContact O-N 3.01Å; R632-D635 PolarHBondContact O-N 3.02Å; D635-L637 PolarHBondContact O-N 3.36Å; D635-L637 VanDerWaalsContact O-N 3.12Å; D635-D638 PolarHBondContact O-N 3.03Å
636	K	95.9	Very high	95.6	Very high	62 Å²	62	41.8 Å²	41.8	27%	0.27	21%	0.205	S	C	.	.	H	α-helix	trans	-56.4	-28.1	175.3	-167.7	177.1	-170.7	-168.1	0	112.8	R632 L633 V634 D638 T639 E640	R632-K636 VanDerWaalsContact O-CB 3.28Å; R632-K636 WeakPolarHBondContact O-CB 3.31Å; R632-K636 PolarHBondContact O-N 3.16Å; L633-K636 WeakPolarHBondContact O-CB 3.48Å; V634-K636 VanDerWaalsContact C-N 3.3Å; V634-K636 PolarHBondContact O-N 3.42Å; K636-D638 PolarHBondContact O-N 3.48Å; K636-T639 PolarHBondContact O-N 3.03Å; K636-T639 PolarHBondContact O-OG1 3.46Å; K636-E640 WeakPolarHBondContact CE-OE1 3.4Å; K636-E640 WeakPolarHBondContact CE-OE2 3.48Å; K636-E640 HydrophobicContact CG-CB 4.1Å; K636-E640 HydrophobicContact CG-CG 4.3Å; K636-E640 IonicContact NZ-OE1 2.68Å; K636-E640 IonicContact NZ-OE2 3.72Å; K636-E640 PolarHBondContact NZ-OE2 2.95Å; K636-E640 PolarHBondContact O-N 3.06Å
637	L	95.8	Very high	95.3	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-25.2	177.7	-57.7	-179.4	0	0	0	113.1	Q449 V457 Y568 V634 D635 Q642	Q449-L637 WeakPolarHBondContact CB-O 3.35Å; V457-L637 HydrophobicContact CG2-CD1 4.32Å; Y568-L637 HydrophobicContact CD1-CD1 3.97Å; Y568-L637 HydrophobicContact CD1-CD2 4.26Å; Y568-L637 HydrophobicContact CD2-CD1 4.47Å; Y568-L637 HydrophobicContact CD2-CD2 3.68Å; Y568-L637 HydrophobicContact CE1-CD2 4.29Å; Y568-L637 HydrophobicContact CE2-CD2 3.7Å; Y568-L637 HydrophobicContact CG-CD1 3.91Å; Y568-L637 HydrophobicContact CG-CD2 3.96Å; V634-L637 VanDerWaalsContact O-CB 3.26Å; V634-L637 WeakPolarHBondContact O-CB 3.46Å; V634-L637 WeakPolarHBondContact O-CG 3.4Å; V634-L637 PolarHBondContact O-N 3.49Å; D635-L637 PolarHBondContact O-N 3.36Å; D635-L637 VanDerWaalsContact O-N 3.12Å; L637-Q642 HydrophobicContact CD2-CG 3.58Å
638	D	93.6	Very high	95.2	Very high	71 Å²	71	46.6 Å²	46.6	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-84.1	-27.5	179.8	-79.5	-24.2	0	0	0	113.2	Q449 K454 D635 K636	Q449-D638 PolarHBondContact NE2-OD1 3.39Å; K454-D638 IonicContact NZ-OD1 3.52Å; K454-D638 PolarHBondContact NZ-OD1 3.23Å; K454-D638 IonicContact NZ-OD2 2.6Å; K454-D638 PolarHBondContact NZ-OD2 2.99Å; D635-D638 PolarHBondContact O-N 3.03Å; K636-D638 PolarHBondContact O-N 3.48Å
639	T	94.4	Very high	94.9	Very high	110 Å²	110	44.8 Å²	44.8	68%	0.675	23%	0.229	S	C	*	.	H	α-helix	trans	-101.1	-34.2	-175.9	55.1	0	0	0	0	113	K636	K636-T639 PolarHBondContact O-N 3.03Å; K636-T639 PolarHBondContact O-OG1 3.46Å
640	E	94.9	Very high	93.7	Very high	91 Å²	91	49.3 Å²	49.3	43%	0.425	27%	0.267	S	S	.	.	S	Bend	trans	-119.3	132.4	-172.2	-67.9	-177.2	-136.1	0	0	112	K636 Q642	K636-E640 WeakPolarHBondContact CE-OE1 3.4Å; K636-E640 WeakPolarHBondContact CE-OE2 3.48Å; K636-E640 HydrophobicContact CG-CB 4.1Å; K636-E640 HydrophobicContact CG-CG 4.3Å; K636-E640 IonicContact NZ-OE1 2.68Å; K636-E640 IonicContact NZ-OE2 3.72Å; K636-E640 PolarHBondContact NZ-OE2 2.95Å; K636-E640 PolarHBondContact O-N 3.06Å; E640-Q642 PolarHBondContact O-NE2 3.22Å
641	P	95.1	Very high	93.5	Very high	40 Å²	40	51.8 Å²	51.8	26%	0.26	28%	0.28	S	S	.	.			trans	-62.4	148.6	172.1	27.2	-32.2	0	0	0	110.9	L446 Y447 H448	L446-P641 HydrophobicContact CB-CB 4.2Å; L446-P641 HydrophobicContact CD2-CB 4.16Å; L446-P641 HydrophobicContact CD2-CG 4.35Å; Y447-P641 WeakPolarHBondContact O-CA 3.5Å; H448-P641 VanDerWaalsContact CE1-CG 3.49Å; H448-P641 WeakPolarHBondContact CE1-CG 3.38Å
642	Q	95.8	Very high	93.4	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.15	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.1	178.6	-58.7	-57.1	-58.2	0	0	110.6	Y447 L637 E640 V644	Y447-Q642 PolarHBondContact N-O 3.34Å; Y447-Q642 PolarHBondContact O-N 3.47Å; L637-Q642 HydrophobicContact CD2-CG 3.58Å; E640-Q642 PolarHBondContact O-NE2 3.22Å; Q642-V644 PolarHBondContact O-N 3.12Å
643	W	94.9	Very high	93.3	Very high	42 Å²	42	49.6 Å²	49.6	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	116.7	169.3	-67.6	110.6	0	0	0	110.2	H327 I356 H358 M444 L446	H327-W643 HydrophobicContact CB-CE3 4.49Å; H327-W643 HydrophobicContact CB-CH2 4.01Å; H327-W643 HydrophobicContact CB-CZ3 3.63Å; H327-W643 AromaticContact CD2-CH2 3.33Å; H327-W643 WeakPolarHBondContact CD2-CH2 3.45Å; H327-W643 AromaticContact CD2-CZ3 3.82Å; H327-W643 AromaticContact CG-CH2 3.81Å; H327-W643 AromaticContact CG-CZ3 3.81Å; I356-W643 HydrophobicContact CD1-CB 4.12Å; I356-W643 HydrophobicContact CD1-CD2 4.35Å; I356-W643 HydrophobicContact CD1-CG 3.92Å; I356-W643 HydrophobicContact CG1-CD2 4.33Å; I356-W643 HydrophobicContact CG1-CG 3.97Å; I356-W643 HydrophobicContact CG2-CD2 4.2Å; I356-W643 HydrophobicContact CG2-CH2 4.45Å; I356-W643 HydrophobicContact CG2-CZ2 3.99Å; H358-W643 AromaticContact CE1-CZ2 3.94Å; M444-W643 HydrophobicContact CB-CB 4.47Å; M444-W643 HydrophobicContact CB-CE3 3.77Å; M444-W643 HydrophobicContact CB-CZ3 4.47Å; M444-W643 HydrophobicContact CE-CB 3.9Å; M444-W643 WeakPolarHBondContact CE-O 3.42Å; L446-W643 HydrophobicContact CD1-CH2 4.23Å; L446-W643 HydrophobicContact CD1-CZ2 4.35Å; L446-W643 HydrophobicContact CD2-CD2 3.65Å; L446-W643 HydrophobicContact CD2-CE3 3.95Å; L446-W643 HydrophobicContact CD2-CG 4.13Å; L446-W643 HydrophobicContact CD2-CH2 4.11Å; L446-W643 HydrophobicContact CD2-CZ2 3.85Å; L446-W643 HydrophobicContact CD2-CZ3 4.17Å; L446-W643 HydrophobicContact CG-CD2 4.22Å; L446-W643 HydrophobicContact CG-CE3 4.03Å; L446-W643 HydrophobicContact CG-CH2 3.75Å; L446-W643 HydrophobicContact CG-CZ2 3.97Å; L446-W643 HydrophobicContact CG-CZ3 3.8Å
644	V	95.4	Very high	93	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	156.7	173.2	-60	0	0	0	0	110	M444 S445 Y447 Q642 S646 W648 L649	M444-V644 CarbonylContact C-O 3.55Å; M444-V644 VanDerWaalsContact CA-O 3.29Å; M444-V644 WeakPolarHBondContact CA-O 3.41Å; M444-V644 VanDerWaalsContact CE-C 3.49Å; S445-V644 PolarHBondContact N-O 3.02Å; S445-V644 WeakPolarHBondContact O-CG2 3.36Å; S445-V644 PolarHBondContact O-N 2.65Å; Y447-V644 VanDerWaalsContact CB-CG2 3.43Å; Y447-V644 HydrophobicContact CD1-CG1 4.45Å; Y447-V644 HydrophobicContact CG-CG2 4.26Å; Q642-V644 PolarHBondContact O-N 3.12Å; V644-S646 PolarHBondContact O-N 3.11Å; V644-W648 HydrophobicContact CB-CD2 4.47Å; V644-W648 HydrophobicContact CB-CE3 3.67Å; V644-W648 HydrophobicContact CB-CZ3 4.01Å; V644-W648 HydrophobicContact CG1-CE3 4Å; V644-W648 HydrophobicContact CG1-CZ3 3.96Å; V644-W648 HydrophobicContact CG2-CE3 4.34Å; V644-L649 HydrophobicContact CG2-CD1 4.35Å; V644-L649 HydrophobicContact CG2-CD2 4.25Å; V644-L649 HydrophobicContact CG2-CG 4.27Å
645	P	94.3	Very high	92.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.4	130.5	173.4	-27.1	35.4	0	0	0	111.5	E442 E443 R561 S647 W648	E442-P645 HydrophobicContact CG-CB 4.44Å; E442-P645 WeakPolarHBondContact OE1-CB 3.37Å; E442-P645 WeakPolarHBondContact OE1-CG 3.48Å; E443-P645 WeakPolarHBondContact O-CA 3.18Å; R561-P645 VanDerWaalsContact NH2-CG 3.3Å; P645-S647 PolarHBondContact O-N 3.47Å; P645-S647 VanDerWaalsContact O-N 3.13Å; P645-W648 HydrophobicContact CB-CD2 4.41Å; P645-W648 HydrophobicContact CB-CG 4.26Å; P645-W648 HydrophobicContact CG-CD2 4.2Å; P645-W648 HydrophobicContact CG-CZ2 4.01Å; P645-W648 WeakPolarHBondContact O-CB 3.31Å; P645-W648 PolarHBondContact O-N 3.08Å
646	S	93.3	Very high	92.7	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.028	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-56	-33.4	-180	-64.7	0	0	0	0	111.9	E443 M444 S445 V644 W648 L649 C650	E443-S646 WeakPolarHBondContact CG-OG 3.45Å; E443-S646 PolarHBondContact O-N 2.96Å; E443-S646 WeakPolarHBondContact OE1-CB 3.41Å; E443-S646 PolarHBondContact OE1-OG 2.61Å; E443-S646 VanDerWaalsContact OE1-OG 3.1Å; M444-S646 PolarHBondContact N-OG 3.42Å; M444-S646 PolarHBondContact O-OG 2.81Å; S445-S646 PolarHBondContact OG-OG 3.3Å; V644-S646 PolarHBondContact O-N 3.11Å; S646-W648 PolarHBondContact O-N 3.11Å; S646-L649 PolarHBondContact O-N 3.16Å; S646-C650 PolarHBondContact O-N 3.44Å; S646-C650 PolarHBondContact O-SG 3.21Å
647	S	91.6	Very high	92.5	Very high	85 Å²	85	53.7 Å²	53.7	59%	0.594	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-57.8	-17.6	175.7	62.9	0	0	0	0	114.7	P645 L649	P645-S647 PolarHBondContact O-N 3.47Å; P645-S647 VanDerWaalsContact O-N 3.13Å; S647-L649 VanDerWaalsContact C-N 3.34Å
648	W	93.3	Very high	92.3	Very high	29 Å²	29	57.5 Å²	57.5	11%	0.11	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-80	-18.1	175.2	-67.3	5.6	0	0	0	113.4	R561 K566 P567 V644 P645 S646	R561-W648 HydrophobicContact CB-CZ2 4.19Å; R561-W648 HydrophobicContact CG-CZ2 4.05Å; R561-W648 PolarHBondContact O-NE1 3.1Å; K566-W648 HydrophobicContact CB-CE3 3.81Å; K566-W648 HydrophobicContact CB-CZ3 4.05Å; K566-W648 WeakPolarHBondContact CE-O 3.49Å; K566-W648 HydrophobicContact CG-CB 4.35Å; K566-W648 HydrophobicContact CG-CD2 4.37Å; K566-W648 HydrophobicContact CG-CE3 3.83Å; K566-W648 PolarHBondContact NZ-O 3.3Å; P567-W648 HydrophobicContact CG-CH2 3.93Å; P567-W648 HydrophobicContact CG-CZ2 4.41Å; V644-W648 HydrophobicContact CB-CD2 4.47Å; V644-W648 HydrophobicContact CB-CE3 3.67Å; V644-W648 HydrophobicContact CB-CZ3 4.01Å; V644-W648 HydrophobicContact CG1-CE3 4Å; V644-W648 HydrophobicContact CG1-CZ3 3.96Å; V644-W648 HydrophobicContact CG2-CE3 4.34Å; P645-W648 HydrophobicContact CB-CD2 4.41Å; P645-W648 HydrophobicContact CB-CG 4.26Å; P645-W648 HydrophobicContact CG-CD2 4.2Å; P645-W648 HydrophobicContact CG-CZ2 4.01Å; P645-W648 WeakPolarHBondContact O-CB 3.31Å; P645-W648 PolarHBondContact O-N 3.08Å; S646-W648 PolarHBondContact O-N 3.11Å
649	L	89.9	Confident	92.2	Very high	76 Å²	76	56.4 Å²	56.4	40%	0.398	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-14.7	-177.2	-52.6	-173.1	0	0	0	112.8	S445 Y447 V644 S646 S647	S445-L649 VanDerWaalsContact CB-CD1 3.48Å; Y447-L649 HydrophobicContact CD2-CD2 3.55Å; Y447-L649 HydrophobicContact CE2-CD2 4.22Å; Y447-L649 HydrophobicContact CG-CD2 4.27Å; V644-L649 HydrophobicContact CG2-CD1 4.35Å; V644-L649 HydrophobicContact CG2-CD2 4.25Å; V644-L649 HydrophobicContact CG2-CG 4.27Å; S646-L649 PolarHBondContact O-N 3.16Å; S647-L649 VanDerWaalsContact C-N 3.34Å
650	C	73	Confident	92	Very high	167 Å²	167	51.5 Å²	51.5	100%	1.128	30%	0.296	S	S	*	.			trans	-79.3	0	178.7	-61.6	0	0	0	0	114	S646	S646-C650 PolarHBondContact O-N 3.44Å; S646-C650 PolarHBondContact O-SG 3.21Å

Retrieved 650 of 650 residues in 451.6 ms (Link to these results)

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