A0A2J8UEG0_PONAB Loading...

CXXC-type zinc finger protein 1

Transcriptional activator that exhibits a unique DNA binding specificity for CpG unmethylated motifs with a preference for CpGG.

AlphaFold DB , UniProt , Accession A0A2J8UEG0, Species PONAB (Pongo abelii, Sumatran orangutan), Gene CXXC1, Length 659 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.7	Very low	37	Very low	240 Å²	240	137.4 Å²	137.4	100%	1.182	82%	0.822	S	S	*	*				0	134.4	0	-77	171.3	162.5	0	0	106.8
2	E	35.6	Very low	36.4	Very low	194 Å²	194	139.8 Å²	139.8	91%	0.907	83%	0.828	S	S	*	*			trans	-75.2	174.4	177.3	-57	102.2	130.3	0	0	112.4
3	G	33.4	Very low	36.1	Very low	80 Å²	80	135.7 Å²	135.7	83%	0.825	82%	0.819	S	S	*	*			trans	169.9	57.6	179.5	0	0	0	0	0	114.1
4	D	39.9	Very low	36.5	Very low	162 Å²	162	131.9 Å²	131.9	87%	0.866	82%	0.821	S	S	*	*			trans	-83.6	154.6	160.3	-174.6	19.1	0	0	0	109.5
5	G	32	Very low	36.1	Very low	71 Å²	71	135.3 Å²	135.3	73%	0.732	82%	0.824	S	S	*	*			trans	173.8	116.2	-178	0	0	0	0	0	113.1
6	S	35.4	Very low	36	Very low	106 Å²	106	137.3 Å²	137.3	74%	0.741	83%	0.828	S	S	*	*			trans	-125.3	160.7	-178.3	-64.4	0	0	0	0	112
7	D	32.5	Very low	35.9	Very low	156 Å²	156	135.9 Å²	135.9	83%	0.834	83%	0.826	S	S	*	*			trans	67.3	166	160.5	-94	-7.1	0	0	0	118.6
8	P	50.1	Low	35.6	Very low	102 Å²	102	136.7 Å²	136.7	66%	0.662	82%	0.817	S	S	*	*			cis	-137.8	-164	-23	30.3	-7.2	0	0	0	114.2
9	E	27.6	Very low	35.4	Very low	169 Å²	169	135.8 Å²	135.8	79%	0.79	82%	0.818	S	S	*	*			trans	81.4	158.1	158.8	-59.2	-136.5	104.5	0	0	119.6
10	P	41.8	Very low	35.7	Very low	114 Å²	114	135.8 Å²	135.8	74%	0.74	81%	0.808	S	S	*	*			cis	-118.9	171.5	-3.3	31	-12.2	0	0	0	114.9
11	P	42.9	Very low	36	Very low	117 Å²	117	137.1 Å²	137.1	76%	0.76	81%	0.811	S	S	*	*			trans	-85.5	151.2	171.1	35	-34.2	0	0	0	113
12	D	29.3	Very low	36.4	Very low	167 Å²	167	127.7 Å²	127.7	89%	0.893	78%	0.776	S	S	*	*			trans	-131.2	164.6	169.8	-160.3	7.6	0	0	0	111.8
13	A	33.5	Very low	36.8	Very low	86 Å²	86	126.4 Å²	126.4	71%	0.711	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-75.1	156.9	-161	0	0	0	0	0	115.2
14	G	41.9	Very low	37.5	Very low	83 Å²	83	130.8 Å²	130.8	86%	0.856	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-84.9	120.5	174	0	0	0	0	0	112.4
15	E	30.3	Very low	38.2	Very low	183 Å²	183	124.5 Å²	124.5	86%	0.855	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-101.8	129.2	166.3	-65.5	-161.9	119.6	0	0	111.4	S17	E15-S17 PolarHBondContact O-N 2.76Å
16	D	34.3	Very low	39.5	Very low	166 Å²	166	125.3 Å²	125.3	89%	0.888	74%	0.737	S	S	*	*			trans	-67.8	99.7	179	-106.6	-50.5	0	0	0	110.7	K18	D16-K18 PolarHBondContact O-N 2.73Å
17	S	33.5	Very low	41.1	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	73%	0.727	S	S	*	*			trans	-69.1	74	174.7	-70.2	0	0	0	0	112	E15 S19	E15-S17 PolarHBondContact O-N 2.76Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 VanDerWaalsContact O-N 3.12Å
18	K	31.7	Very low	43	Very low	150 Å²	150	122.3 Å²	122.3	65%	0.652	71%	0.705	S	S	*	*			trans	-48.9	109.4	175.8	179.6	-166.3	176.2	-158.3	0	110.8	D16 E20	D16-K18 PolarHBondContact O-N 2.73Å; K18-E20 HydrophobicContact CD-CG 4.08Å; K18-E20 VanDerWaalsContact CE-OE1 3.29Å; K18-E20 WeakPolarHBondContact CE-OE1 3.04Å; K18-E20 HydrophobicContact CG-CG 4.16Å; K18-E20 IonicContact NZ-OE1 2.68Å; K18-E20 PolarHBondContact NZ-OE1 3.04Å; K18-E20 PolarHBondContact O-N 3.2Å
19	S	31.9	Very low	44.3	Very low	120 Å²	120	118 Å²	118	84%	0.839	68%	0.678	S	S	*	*			trans	-72.8	93.7	176.7	-57.6	0	0	0	0	111.2	S17 N21	S17-S19 PolarHBondContact O-N 3.27Å; S17-S19 VanDerWaalsContact O-N 3.12Å; S19-N21 PolarHBondContact O-N 2.93Å
20	E	41.1	Very low	46.8	Very low	135 Å²	135	115.1 Å²	115.1	63%	0.631	67%	0.666	S	S	*	*			trans	-75.6	88.5	179.4	-60.6	-159.8	138.8	0	0	112	K18	K18-E20 HydrophobicContact CD-CG 4.08Å; K18-E20 VanDerWaalsContact CE-OE1 3.29Å; K18-E20 WeakPolarHBondContact CE-OE1 3.04Å; K18-E20 HydrophobicContact CG-CG 4.16Å; K18-E20 IonicContact NZ-OE1 2.68Å; K18-E20 PolarHBondContact NZ-OE1 3.04Å; K18-E20 PolarHBondContact O-N 3.2Å
21	N	41.4	Very low	48.5	Very low	163 Å²	163	112 Å²	112	87%	0.872	65%	0.647	S	S	*	*			trans	-151.3	60.9	169.1	-155.4	-16.4	0	0	0	111.8	S19	S19-N21 PolarHBondContact O-N 2.93Å
22	G	43.4	Very low	50	Low	42 Å²	42	115.9 Å²	115.9	43%	0.433	65%	0.646	S	S	.	*			trans	-149.6	-2.4	-174.6	0	0	0	0	0	117.4	N24	G22-N24 PolarHBondContact O-N 2.76Å
23	E	45.3	Very low	52.2	Low	168 Å²	168	114.3 Å²	114.3	79%	0.785	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-14.6	-162.3	-57.4	-148.2	127.4	0	0	116.1
24	N	48.2	Very low	53.7	Low	172 Å²	172	113.1 Å²	113.1	92%	0.92	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	13.8	-179.3	-96.5	-39.8	0	0	0	114.7	G22	G22-N24 PolarHBondContact O-N 2.76Å
25	A	54.2	Low	54.4	Low	30 Å²	30	113.6 Å²	113.6	25%	0.248	60%	0.599	C	S	.	*	S	Bend	trans	-85	124.7	167.3	0	0	0	0	0	109.8	I27 P34	A25-I27 PolarHBondContact O-N 3.49Å; A25-I27 VanDerWaalsContact O-N 3.11Å; A25-P34 HydrophobicContact CB-CB 3.56Å
26	P	58.6	Low	55.7	Low	88 Å²	88	112.3 Å²	112.3	57%	0.571	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-63.1	117.5	-176.6	24.6	-33.7	0	0	0	111	Y28	P26-Y28 HydrophobicContact CB-CE2 3.82Å; P26-Y28 HydrophobicContact CG-CE2 3.83Å; P26-Y28 WeakPolarHBondContact O-CD2 3.35Å; P26-Y28 WeakPolarHBondContact O-CE2 3.46Å; P26-Y28 PolarHBondContact O-N 2.89Å
27	I	70.4	Confident	57	Low	102 Å²	102	112.3 Å²	112.3	52%	0.523	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-77.3	118.8	-173.5	-59.4	179.2	0	0	0	110	A25 R32	A25-I27 PolarHBondContact O-N 3.49Å; A25-I27 VanDerWaalsContact O-N 3.11Å; I27-R32 VanDerWaalsContact CG2-CA 3.46Å; I27-R32 HydrophobicContact CG2-CB 3.65Å; I27-R32 HydrophobicContact CG2-CG 4.06Å
28	Y	71.9	Confident	58.9	Low	96 Å²	96	109.8 Å²	109.8	38%	0.376	58%	0.579	S	S	.	*			trans	-121.5	175	175	-60.7	-66.7	0	0	0	111	P26 W49	P26-Y28 HydrophobicContact CB-CE2 3.82Å; P26-Y28 HydrophobicContact CG-CE2 3.83Å; P26-Y28 WeakPolarHBondContact O-CD2 3.35Å; P26-Y28 WeakPolarHBondContact O-CE2 3.46Å; P26-Y28 PolarHBondContact O-N 2.89Å; Y28-W49 HydrophobicContact CD1-CB 4.28Å; Y28-W49 HydrophobicContact CG-CB 4.11Å
29	C	77.4	Confident	61.3	Low	13 Å²	13	105.9 Å²	105.9	9%	0.088	56%	0.562	C	S	.	*	S	Bend	trans	65.8	156.2	178.7	-163	0	0	0	0	115.5	C31 R32 W49 H51 C54	C29-C31 PolarHBondContact O-N 3.49Å; C29-C31 VanDerWaalsContact O-N 3.08Å; C29-R32 PolarHBondContact O-N 3.38Å; C29-W49 VanDerWaalsContact CA-O 3.24Å; C29-W49 WeakPolarHBondContact CA-O 3.36Å; C29-W49 PolarHBondContact N-O 3.12Å; C29-H51 PolarHBondContact SG-N 3.42Å; C29-C54 VanDerWaalsContact SG-CB 3.59Å
30	I	79.1	Confident	63.9	Low	107 Å²	107	102.5 Å²	102.5	55%	0.549	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.2	177.1	59.4	175.2	0	0	0	114	F50 C54	I30-F50 HydrophobicContact CG2-CD1 4.2Å; I30-F50 HydrophobicContact CG2-CE1 3.91Å; I30-C54 HydrophobicContact CD1-CB 4.41Å; I30-C54 HydrophobicContact CG1-CB 4.23Å
31	C	78.6	Confident	66.1	Low	49 Å²	49	97.2 Å²	97.2	33%	0.331	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.6	179.1	66.3	0	0	0	0	114.1	C29 K33 H51 C54	C29-C31 PolarHBondContact O-N 3.49Å; C29-C31 VanDerWaalsContact O-N 3.08Å; C31-K33 PolarHBondContact O-N 2.84Å; C31-K33 VanDerWaalsContact O-N 3.15Å; C31-H51 PolarHBondContact SG-ND1 3.12Å; C31-C54 VanDerWaalsContact SG-SG 3.69Å
32	R	74.6	Confident	68.3	Low	199 Å²	199	90.4 Å²	90.4	75%	0.751	48%	0.478	S	S	*	.			trans	49.5	35.4	179.8	-62.6	-169.9	178.3	-144.3	0.4	115.5	I27 C29	I27-R32 VanDerWaalsContact CG2-CA 3.46Å; I27-R32 HydrophobicContact CG2-CB 3.65Å; I27-R32 HydrophobicContact CG2-CG 4.06Å; C29-R32 PolarHBondContact O-N 3.38Å
33	K	73.8	Confident	70.5	Confident	134 Å²	134	88.5 Å²	88.5	58%	0.583	46%	0.458	S	S	*	.			trans	-105.9	133.7	176.8	-67.6	-167.6	176.4	-169.3	0	111.5	C31 D35 H51	C31-K33 PolarHBondContact O-N 2.84Å; C31-K33 VanDerWaalsContact O-N 3.15Å; K33-D35 PolarHBondContact O-N 2.59Å; K33-H51 PolarHBondContact O-CE1 3.41Å
34	P	65.1	Low	72.5	Confident	61 Å²	61	84.9 Å²	84.9	40%	0.396	44%	0.444	S	S	.	.			trans	-87.1	78.7	-179.3	33.8	-34.3	0	0	0	112.9	A25	A25-P34 HydrophobicContact CB-CB 3.56Å
35	D	57.7	Low	74.2	Confident	92 Å²	92	80.4 Å²	80.4	49%	0.492	42%	0.42	S	S	.	.			trans	-110	104.7	-178.5	-81.7	-63.5	0	0	0	113.3	K33 N37	K33-D35 PolarHBondContact O-N 2.59Å; D35-N37 PolarHBondContact O-N 2.84Å
36	I	58.3	Low	75.6	Confident	156 Å²	156	81.5 Å²	81.5	80%	0.8	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-0.8	-169.7	-29.1	-179	0	0	0	114
37	N	61.6	Low	76.7	Confident	166 Å²	166	83 Å²	83	89%	0.888	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.2	4.2	-172.2	-71.6	-50.2	0	0	0	114.9	D35	D35-N37 PolarHBondContact O-N 2.84Å
38	C	71.6	Confident	77.3	Confident	63 Å²	63	82.6 Å²	82.6	43%	0.426	42%	0.424	S	S	.	.	S	Bend	trans	-95.7	151.2	-177.6	-69.8	0	0	0	0	112.6	M40	C38-M40 PolarHBondContact O-N 2.91Å
39	F	83.1	Confident	78.1	Confident	68 Å²	68	83.4 Å²	83.4	30%	0.298	43%	0.426	S	S	.	.			trans	-68.2	132.1	173.5	166.4	-106.7	0	0	0	110.5	I41 H51 G52 E59 A62	F39-I41 HydrophobicContact CZ-CB 4.25Å; F39-H51 WeakPolarHBondContact O-CA 3.45Å; F39-G52 PolarHBondContact O-N 2.87Å; F39-E59 HydrophobicContact CD1-CB 4.1Å; F39-E59 HydrophobicContact CD2-CB 4.13Å; F39-E59 HydrophobicContact CD2-CG 3.73Å; F39-E59 HydrophobicContact CE1-CB 4.47Å; F39-E59 HydrophobicContact CE2-CB 4.49Å; F39-E59 HydrophobicContact CE2-CG 4.06Å; F39-E59 HydrophobicContact CG-CB 3.96Å; F39-E59 HydrophobicContact CG-CG 4.05Å; F39-A62 HydrophobicContact CE1-CB 3.93Å; F39-A62 HydrophobicContact CE2-CB 4.26Å; F39-A62 HydrophobicContact CZ-CB 3.35Å
40	M	87.3	Confident	78.5	Confident	49 Å²	49	83.4 Å²	83.4	24%	0.241	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.6	179.3	-57.8	-174.4	86.5	0	0	113.1	C38 W49 F50	C38-M40 PolarHBondContact O-N 2.91Å; M40-W49 HydrophobicContact CB-CE3 3.93Å; M40-W49 HydrophobicContact CB-CZ3 4.49Å; M40-W49 HydrophobicContact CE-CB 3.8Å; M40-F50 CarbonylContact C-O 3.56Å; M40-F50 VanDerWaalsContact CA-O 3.23Å; M40-F50 WeakPolarHBondContact CA-O 3.29Å
41	I	85.5	Confident	78.8	Confident	23 Å²	23	79 Å²	79	12%	0.118	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.9	172.3	-170.9	170.7	0	0	0	110.3	F39 F50 I55 A62 W68	F39-I41 HydrophobicContact CZ-CB 4.25Å; I41-F50 PolarHBondContact N-O 3.38Å; I41-F50 PolarHBondContact O-N 3.03Å; I41-I55 HydrophobicContact CG2-CD1 3.37Å; I41-A62 HydrophobicContact CD1-CB 4.3Å; I41-W68 HydrophobicContact CD1-CB 3.9Å; I41-W68 HydrophobicContact CD1-CD2 4.06Å; I41-W68 HydrophobicContact CD1-CE3 4.29Å; I41-W68 HydrophobicContact CD1-CG 3.84Å; I41-W68 HydrophobicContact CG1-CD2 4.37Å; I41-W68 HydrophobicContact CG1-CE3 4.1Å; I41-W68 HydrophobicContact CG2-CD2 4.36Å; I41-W68 HydrophobicContact CG2-CE3 4.05Å; I41-W68 HydrophobicContact CG2-CH2 4.39Å; I41-W68 HydrophobicContact CG2-CZ3 4.06Å
42	G	88.6	Confident	79	Confident	21 Å²	21	76.6 Å²	76.6	22%	0.216	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.1	176.3	0	0	0	0	0	112.2	E48	G42-E48 CarbonylContact C-O 3.58Å; G42-E48 VanDerWaalsContact CA-O 3.32Å; G42-E48 WeakPolarHBondContact CA-O 3.46Å
43	C	89.1	Confident	79.4	Confident	2 Å²	2	73 Å²	73	1%	0.014	38%	0.381	C	S	.	.			trans	-79.9	124.8	175.7	176.4	0	0	0	0	111.5	N45 C46 N47 E48 F50 W68 C70	C43-N45 PolarHBondContact O-N 2.9Å; C43-N45 VanDerWaalsContact O-N 3.1Å; C43-C46 VanDerWaalsContact CB-SG 3.55Å; C43-C46 PolarHBondContact SG-SG 3.39Å; C43-N47 WeakPolarHBondContact O-CA 3.29Å; C43-N47 PolarHBondContact O-N 2.91Å; C43-E48 PolarHBondContact N-O 3.49Å; C43-F50 HydrophobicContact CB-CE2 4.03Å; C43-W68 HydrophobicContact CB-CE3 4.15Å; C43-W68 HydrophobicContact CB-CZ3 3.84Å; C43-C70 HydrophobicContact CB-CB 4.16Å; C43-C70 PolarHBondContact SG-N 3.39Å
44	D	86.9	Confident	79.8	Confident	92 Å²	92	69 Å²	69	49%	0.492	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-9.4	-177.8	-73.6	-61.5	0	0	0	114.3	E67 W68 Y69	D44-E67 VanDerWaalsContact OD2-CA 3.28Å; D44-E67 WeakPolarHBondContact OD2-CA 3.38Å; D44-W68 PolarHBondContact N-O 2.97Å; D44-W68 PolarHBondContact OD2-N 3.49Å; D44-Y69 HydrophobicContact CB-CD1 4.2Å; D44-Y69 HydrophobicContact CB-CE1 3.65Å
45	N	84.8	Confident	80.7	Confident	77 Å²	77	68.1 Å²	68.1	41%	0.412	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-63.3	175.6	-169.8	42.1	0	0	0	112.4	C43 N47 Y69 C73 L80	C43-N45 PolarHBondContact O-N 2.9Å; C43-N45 VanDerWaalsContact O-N 3.1Å; N45-N47 PolarHBondContact O-ND2 2.76Å; N45-Y69 HydrophobicContact CB-CD1 3.81Å; N45-Y69 HydrophobicContact CB-CE1 4.13Å; N45-C73 HydrophobicContact CB-CB 4.25Å; N45-C73 PolarHBondContact ND2-SG 3.29Å; N45-C73 VanDerWaalsContact ND2-SG 3.41Å; N45-L80 HydrophobicContact CB-CD1 4.08Å
46	C	84.4	Confident	81.9	Confident	53 Å²	53	74.4 Å²	74.4	36%	0.358	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-12	-178.1	61.4	0	0	0	0	114.6	C43 E48	C43-C46 VanDerWaalsContact CB-SG 3.55Å; C43-C46 PolarHBondContact SG-SG 3.39Å; C46-E48 PolarHBondContact O-N 3.39Å
47	N	80.7	Confident	83.1	Confident	119 Å²	119	67.8 Å²	67.8	64%	0.636	35%	0.345	S	S	*	.			trans	65.5	5.1	-175.9	-53.5	-93.6	0	0	0	115.5	C43 N45	C43-N47 WeakPolarHBondContact O-CA 3.29Å; C43-N47 PolarHBondContact O-N 2.91Å; N45-N47 PolarHBondContact O-ND2 2.76Å
48	E	84.1	Confident	84.3	Confident	94 Å²	94	63.2 Å²	63.2	44%	0.439	32%	0.323	S	S	.	.			trans	-67.5	148	172.7	-74.5	-56.5	146.1	0	0	112.9	G42 C43 C46 F50	G42-E48 CarbonylContact C-O 3.58Å; G42-E48 VanDerWaalsContact CA-O 3.32Å; G42-E48 WeakPolarHBondContact CA-O 3.46Å; C43-E48 PolarHBondContact N-O 3.49Å; C46-E48 PolarHBondContact O-N 3.39Å; E48-F50 HydrophobicContact CB-CE2 3.61Å; E48-F50 HydrophobicContact CB-CZ 3.8Å; E48-F50 WeakPolarHBondContact O-CD2 3.44Å; E48-F50 VanDerWaalsContact O-CE2 3.29Å; E48-F50 WeakPolarHBondContact O-CE2 3.35Å
49	W	87.4	Confident	84.9	Confident	113 Å²	113	64.7 Å²	64.7	43%	0.428	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139	-178.8	-71.3	79.7	0	0	0	111.9	Y28 C29 M40	Y28-W49 HydrophobicContact CD1-CB 4.28Å; Y28-W49 HydrophobicContact CG-CB 4.11Å; C29-W49 VanDerWaalsContact CA-O 3.24Å; C29-W49 WeakPolarHBondContact CA-O 3.36Å; C29-W49 PolarHBondContact N-O 3.12Å; M40-W49 HydrophobicContact CB-CE3 3.93Å; M40-W49 HydrophobicContact CB-CZ3 4.49Å; M40-W49 HydrophobicContact CE-CB 3.8Å
50	F	86.6	Confident	84.9	Confident	13 Å²	13	69.7 Å²	69.7	6%	0.057	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.6	-177	-57.4	-97.3	0	0	0	110.7	I30 M40 I41 C43 E48 G52 I55 W68 C70	I30-F50 HydrophobicContact CG2-CD1 4.2Å; I30-F50 HydrophobicContact CG2-CE1 3.91Å; M40-F50 CarbonylContact C-O 3.56Å; M40-F50 VanDerWaalsContact CA-O 3.23Å; M40-F50 WeakPolarHBondContact CA-O 3.29Å; I41-F50 PolarHBondContact N-O 3.38Å; I41-F50 PolarHBondContact O-N 3.03Å; C43-F50 HydrophobicContact CB-CE2 4.03Å; E48-F50 HydrophobicContact CB-CE2 3.61Å; E48-F50 HydrophobicContact CB-CZ 3.8Å; E48-F50 WeakPolarHBondContact O-CD2 3.44Å; E48-F50 VanDerWaalsContact O-CE2 3.29Å; E48-F50 WeakPolarHBondContact O-CE2 3.35Å; F50-G52 PolarHBondContact O-N 3.24Å; F50-I55 HydrophobicContact CB-CD1 4.25Å; F50-I55 HydrophobicContact CB-CG2 3.84Å; F50-I55 HydrophobicContact CD1-CG2 4.11Å; F50-I55 HydrophobicContact CG-CG2 4.18Å; F50-W68 HydrophobicContact CB-CH2 4.36Å; F50-W68 AromaticContact CD2-CH2 3.7Å; F50-W68 HydrophobicContact CD2-CH2 3.7Å; F50-W68 AromaticContact CD2-CZ3 3.61Å; F50-W68 HydrophobicContact CD2-CZ3 3.61Å; F50-W68 HydrophobicContact CE2-CH2 4.21Å; F50-W68 HydrophobicContact CE2-CZ3 4.09Å; F50-W68 HydrophobicContact CG-CH2 4.07Å; F50-W68 HydrophobicContact CG-CZ3 4.37Å; F50-C70 HydrophobicContact CD2-CB 4.38Å; F50-C70 HydrophobicContact CE1-CB 4.29Å; F50-C70 HydrophobicContact CE2-CB 3.68Å; F50-C70 HydrophobicContact CZ-CB 3.64Å
51	H	84.9	Confident	84.5	Confident	14 Å²	14	71.6 Å²	71.6	7%	0.065	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	133.4	168.3	-56.7	121.1	0	0	0	109.9	C29 C31 K33 F39 D53 C54 I55	C29-H51 PolarHBondContact SG-N 3.42Å; C31-H51 PolarHBondContact SG-ND1 3.12Å; K33-H51 PolarHBondContact O-CE1 3.41Å; F39-H51 WeakPolarHBondContact O-CA 3.45Å; H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 3.27Å; H51-C54 HydrophobicContact CB-CB 4.24Å; H51-C54 PolarHBondContact O-N 3.1Å; H51-C54 VanDerWaalsContact O-N 3.14Å; H51-I55 PolarHBondContact O-N 3.43Å
52	G	83.4	Confident	84.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.2	-176.8	0	0	0	0	0	112.8	F39 F50 I55 R56 I57	F39-G52 PolarHBondContact O-N 2.87Å; F50-G52 PolarHBondContact O-N 3.24Å; G52-I55 CarbonylContact O-C 3.2Å; G52-I55 WeakPolarHBondContact O-CG1 3.43Å; G52-I55 PolarHBondContact O-N 3.41Å; G52-R56 CarbonylContact O-C 3.58Å; G52-R56 WeakPolarHBondContact O-CA 3.38Å; G52-R56 PolarHBondContact O-N 3Å; G52-I57 CarbonylContact C-O 3.56Å; G52-I57 WeakPolarHBondContact CA-O 3.37Å; G52-I57 PolarHBondContact O-N 3.41Å
53	D	82.1	Confident	84.2	Confident	122 Å²	122	76.2 Å²	76.2	65%	0.652	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-67.1	-39.9	-179.7	-54.7	-61	0	0	0	112.5	H51 I55 R56	H51-D53 VanDerWaalsContact C-N 3.26Å; H51-D53 PolarHBondContact O-N 3.27Å; D53-I55 PolarHBondContact O-N 3.35Å; D53-R56 PolarHBondContact O-N 3.46Å; D53-R56 VanDerWaalsContact O-N 3.11Å
54	C	82.8	Confident	84	Confident	51 Å²	51	78.3 Å²	78.3	35%	0.345	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.5	-25.2	177.5	-64.1	0	0	0	0	113.5	C29 I30 C31 H51	C29-C54 VanDerWaalsContact SG-CB 3.59Å; I30-C54 HydrophobicContact CD1-CB 4.41Å; I30-C54 HydrophobicContact CG1-CB 4.23Å; C31-C54 VanDerWaalsContact SG-SG 3.69Å; H51-C54 HydrophobicContact CB-CB 4.24Å; H51-C54 PolarHBondContact O-N 3.1Å; H51-C54 VanDerWaalsContact O-N 3.14Å
55	I	84.4	Confident	83.9	Confident	42 Å²	42	74.3 Å²	74.3	22%	0.215	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-110.6	6.2	176.4	62.5	164.5	0	0	0	113.3	I41 F50 H51 G52 D53 I57 W68	I41-I55 HydrophobicContact CG2-CD1 3.37Å; F50-I55 HydrophobicContact CB-CD1 4.25Å; F50-I55 HydrophobicContact CB-CG2 3.84Å; F50-I55 HydrophobicContact CD1-CG2 4.11Å; F50-I55 HydrophobicContact CG-CG2 4.18Å; H51-I55 PolarHBondContact O-N 3.43Å; G52-I55 CarbonylContact O-C 3.2Å; G52-I55 WeakPolarHBondContact O-CG1 3.43Å; G52-I55 PolarHBondContact O-N 3.41Å; D53-I55 PolarHBondContact O-N 3.35Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 HydrophobicContact CD1-CB 3.99Å; I55-I57 HydrophobicContact CD1-CD1 3.8Å; I55-I57 HydrophobicContact CD1-CG1 3.89Å; I55-I57 HydrophobicContact CG1-CB 4.13Å; I55-I57 HydrophobicContact CG1-CG1 4.09Å; I55-I57 PolarHBondContact O-N 2.91Å; I55-W68 HydrophobicContact CD1-CH2 3.6Å; I55-W68 HydrophobicContact CD1-CZ2 3.38Å; I55-W68 HydrophobicContact CD1-CZ3 4.41Å; I55-W68 HydrophobicContact CG2-CH2 4.46Å
56	R	81.3	Confident	83.9	Confident	224 Å²	224	78.5 Å²	78.5	85%	0.845	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	35.7	-176.6	-52.7	-175	-179	-165.4	-0.2	115	G52 D53	G52-R56 CarbonylContact O-C 3.58Å; G52-R56 WeakPolarHBondContact O-CA 3.38Å; G52-R56 PolarHBondContact O-N 3Å; D53-R56 PolarHBondContact O-N 3.46Å; D53-R56 VanDerWaalsContact O-N 3.11Å
57	I	84.8	Confident	84.1	Confident	18 Å²	18	77.7 Å²	77.7	9%	0.092	37%	0.368	C	S	.	.			trans	-111.7	108.9	173.1	-59.9	-170	0	0	0	110	G52 I55 M61 A62 I65 W68	G52-I57 CarbonylContact C-O 3.56Å; G52-I57 WeakPolarHBondContact CA-O 3.37Å; G52-I57 PolarHBondContact O-N 3.41Å; I55-I57 VanDerWaalsContact C-N 3.33Å; I55-I57 HydrophobicContact CD1-CB 3.99Å; I55-I57 HydrophobicContact CD1-CD1 3.8Å; I55-I57 HydrophobicContact CD1-CG1 3.89Å; I55-I57 HydrophobicContact CG1-CB 4.13Å; I55-I57 HydrophobicContact CG1-CG1 4.09Å; I55-I57 PolarHBondContact O-N 2.91Å; I57-M61 HydrophobicContact CG2-CB 4.02Å; I57-A62 HydrophobicContact CG2-CB 4.2Å; I57-I65 HydrophobicContact CD1-CD1 4.2Å; I57-I65 HydrophobicContact CG2-CD1 4.27Å; I57-W68 HydrophobicContact CD1-CZ2 4.34Å
58	T	85.5	Confident	84.6	Confident	69 Å²	69	72.5 Å²	72.5	42%	0.423	34%	0.34	S	S	.	.			trans	-71	155.1	173.9	67.6	0	0	0	0	111.7	K60 M61 A62	T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 VanDerWaalsContact O-N 3.11Å; T58-M61 HydrophobicContact CG2-SD 4.24Å; T58-M61 WeakPolarHBondContact O-CA 3.33Å; T58-M61 WeakPolarHBondContact O-CB 3.24Å; T58-M61 PolarHBondContact O-N 3.3Å; T58-M61 WeakPolarHBondContact OG1-CG 3.28Å; T58-M61 PolarHBondContact OG1-N 3.35Å; T58-M61 PolarHBondContact OG1-SD 3.47Å; T58-M61 VanDerWaalsContact OG1-SD 3.39Å; T58-A62 PolarHBondContact O-N 2.81Å
59	E	84.9	Confident	84.8	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-55.4	-30.6	176.4	-164.1	-129.9	177.9	0	0	112.7	F39 K63	F39-E59 HydrophobicContact CD1-CB 4.1Å; F39-E59 HydrophobicContact CD2-CB 4.13Å; F39-E59 HydrophobicContact CD2-CG 3.73Å; F39-E59 HydrophobicContact CE1-CB 4.47Å; F39-E59 HydrophobicContact CE2-CB 4.49Å; F39-E59 HydrophobicContact CE2-CG 4.06Å; F39-E59 HydrophobicContact CG-CB 3.96Å; F39-E59 HydrophobicContact CG-CG 4.05Å; E59-K63 VanDerWaalsContact CD-CE 3.49Å; E59-K63 WeakPolarHBondContact O-CD 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.1Å; E59-K63 PolarHBondContact O-N 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.48Å; E59-K63 IonicContact OE1-NZ 2.88Å; E59-K63 PolarHBondContact OE1-NZ 2.92Å; E59-K63 IonicContact OE2-NZ 2.7Å; E59-K63 PolarHBondContact OE2-NZ 3.2Å
60	K	83.3	Confident	84.8	Confident	174 Å²	174	64.6 Å²	64.6	76%	0.757	31%	0.307	S	S	*	.	H	α-helix	trans	-67.1	-41.5	173.4	-67.4	179.7	-179.7	175.8	0	112.4	T58	T58-K60 PolarHBondContact O-N 3.3Å; T58-K60 VanDerWaalsContact O-N 3.11Å
61	M	78.4	Confident	84.7	Confident	89 Å²	89	73 Å²	73	44%	0.438	34%	0.338	S	S	.	.	H	α-helix	trans	-69.1	-42.3	176.8	-66.6	160.3	72.7	0	0	111	I57 T58 K63 A64 I65	I57-M61 HydrophobicContact CG2-CB 4.02Å; T58-M61 HydrophobicContact CG2-SD 4.24Å; T58-M61 WeakPolarHBondContact O-CA 3.33Å; T58-M61 WeakPolarHBondContact O-CB 3.24Å; T58-M61 PolarHBondContact O-N 3.3Å; T58-M61 WeakPolarHBondContact OG1-CG 3.28Å; T58-M61 PolarHBondContact OG1-N 3.35Å; T58-M61 PolarHBondContact OG1-SD 3.47Å; T58-M61 VanDerWaalsContact OG1-SD 3.39Å; M61-K63 VanDerWaalsContact C-N 3.26Å; M61-K63 PolarHBondContact O-N 2.87Å; M61-A64 WeakPolarHBondContact O-CB 3.41Å; M61-A64 PolarHBondContact O-N 2.83Å; M61-I65 PolarHBondContact O-N 3.41Å
62	A	84.8	Confident	84.7	Confident	18 Å²	18	76.9 Å²	76.9	15%	0.149	36%	0.356	C	S	.	.	H	α-helix	trans	-58.4	-35.5	177.7	0	0	0	0	0	113.3	F39 I41 I57 T58 A64 I65	F39-A62 HydrophobicContact CE1-CB 3.93Å; F39-A62 HydrophobicContact CE2-CB 4.26Å; F39-A62 HydrophobicContact CZ-CB 3.35Å; I41-A62 HydrophobicContact CD1-CB 4.3Å; I57-A62 HydrophobicContact CG2-CB 4.2Å; T58-A62 PolarHBondContact O-N 2.81Å; A62-A64 PolarHBondContact O-N 2.92Å; A62-I65 PolarHBondContact O-N 2.95Å; A62-I65 VanDerWaalsContact O-N 3.15Å
63	K	84	Confident	84.8	Confident	122 Å²	122	77.2 Å²	77.2	53%	0.53	36%	0.359	S	S	.	.	H	α-helix	trans	-63.8	-25.9	174.8	-72.8	164.6	-176.7	169.3	0	113.5	E59 M61	E59-K63 VanDerWaalsContact CD-CE 3.49Å; E59-K63 WeakPolarHBondContact O-CD 3.32Å; E59-K63 WeakPolarHBondContact O-CG 3.1Å; E59-K63 PolarHBondContact O-N 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.48Å; E59-K63 IonicContact OE1-NZ 2.88Å; E59-K63 PolarHBondContact OE1-NZ 2.92Å; E59-K63 IonicContact OE2-NZ 2.7Å; E59-K63 PolarHBondContact OE2-NZ 3.2Å; M61-K63 VanDerWaalsContact C-N 3.26Å; M61-K63 PolarHBondContact O-N 2.87Å
64	A	84.1	Confident	84.8	Confident	47 Å²	47	77.1 Å²	77.1	39%	0.388	35%	0.349	S	S	.	.	H	α-helix	trans	-86.4	-16.2	175.4	0	0	0	0	0	113.6	M61 A62 R85	M61-A64 WeakPolarHBondContact O-CB 3.41Å; M61-A64 PolarHBondContact O-N 2.83Å; A62-A64 PolarHBondContact O-N 2.92Å; A64-R85 PolarHBondContact O-N 3.31Å
65	I	85.9	Confident	84.8	Confident	8 Å²	8	80.6 Å²	80.6	4%	0.041	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	150.2	178.2	-61.7	166.6	0	0	0	110.3	I57 M61 A62 E67 W68 I82 Y84 R85	I57-I65 HydrophobicContact CD1-CD1 4.2Å; I57-I65 HydrophobicContact CG2-CD1 4.27Å; M61-I65 PolarHBondContact O-N 3.41Å; A62-I65 PolarHBondContact O-N 2.95Å; A62-I65 VanDerWaalsContact O-N 3.15Å; I65-E67 WeakPolarHBondContact CG2-O 3.25Å; I65-W68 HydrophobicContact CG2-CB 3.92Å; I65-I82 HydrophobicContact CD1-CG2 4.23Å; I65-I82 HydrophobicContact CG1-CG2 4.2Å; I65-I82 HydrophobicContact CG2-CG2 3.88Å; I65-Y84 HydrophobicContact CD1-CE1 4.15Å; I65-Y84 HydrophobicContact CG1-CD1 3.76Å; I65-Y84 HydrophobicContact CG1-CE1 3.47Å; I65-Y84 VanDerWaalsContact CG1-CE1 3.47Å; I65-R85 PolarHBondContact O-NE 2.97Å; I65-R85 PolarHBondContact O-NH2 3.36Å
66	R	84.4	Confident	84.7	Confident	165 Å²	165	85.5 Å²	85.5	62%	0.623	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	-47.3	176.6	177.2	-176.7	153.5	151.8	-0.2	111.6	R83 R85	R66-R83 WeakPolarHBondContact CA-O 3.44Å; R66-R83 WeakPolarHBondContact CB-O 3.44Å; R66-R83 PolarHBondContact N-O 3.24Å; R66-R85 HydrophobicContact CB-CG 3.97Å
67	E	87.9	Confident	84.6	Confident	35 Å²	35	78.8 Å²	78.8	16%	0.164	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	128	178.1	-72.7	147.4	-140.3	0	0	107.3	D44 I65 Y69 R83	D44-E67 VanDerWaalsContact OD2-CA 3.28Å; D44-E67 WeakPolarHBondContact OD2-CA 3.38Å; I65-E67 WeakPolarHBondContact CG2-O 3.25Å; E67-Y69 HydrophobicContact CB-CE2 4.41Å; E67-R83 HydrophobicContact CB-CB 4.21Å; E67-R83 PolarHBondContact N-O 3.15Å; E67-R83 PolarHBondContact O-N 3.12Å; E67-R83 WeakPolarHBondContact OE2-CD 3.44Å; E67-R83 IonicContact OE2-CZ 3.71Å; E67-R83 IonicContact OE2-NE 3.89Å; E67-R83 IonicContact OE2-NH1 2.79Å; E67-R83 PolarHBondContact OE2-NH1 3.3Å
68	W	90.9	Very high	84.4	Confident	11 Å²	11	83.5 Å²	83.5	4%	0.042	39%	0.392	C	S	.	.			trans	-127.9	138.3	-175.9	-174.5	71.1	0	0	0	113.1	I41 C43 D44 F50 I55 I57 I65 C70	I41-W68 HydrophobicContact CD1-CB 3.9Å; I41-W68 HydrophobicContact CD1-CD2 4.06Å; I41-W68 HydrophobicContact CD1-CE3 4.29Å; I41-W68 HydrophobicContact CD1-CG 3.84Å; I41-W68 HydrophobicContact CG1-CD2 4.37Å; I41-W68 HydrophobicContact CG1-CE3 4.1Å; I41-W68 HydrophobicContact CG2-CD2 4.36Å; I41-W68 HydrophobicContact CG2-CE3 4.05Å; I41-W68 HydrophobicContact CG2-CH2 4.39Å; I41-W68 HydrophobicContact CG2-CZ3 4.06Å; C43-W68 HydrophobicContact CB-CE3 4.15Å; C43-W68 HydrophobicContact CB-CZ3 3.84Å; D44-W68 PolarHBondContact N-O 2.97Å; D44-W68 PolarHBondContact OD2-N 3.49Å; F50-W68 HydrophobicContact CB-CH2 4.36Å; F50-W68 AromaticContact CD2-CH2 3.7Å; F50-W68 HydrophobicContact CD2-CH2 3.7Å; F50-W68 AromaticContact CD2-CZ3 3.61Å; F50-W68 HydrophobicContact CD2-CZ3 3.61Å; F50-W68 HydrophobicContact CE2-CH2 4.21Å; F50-W68 HydrophobicContact CE2-CZ3 4.09Å; F50-W68 HydrophobicContact CG-CH2 4.07Å; F50-W68 HydrophobicContact CG-CZ3 4.37Å; I55-W68 HydrophobicContact CD1-CH2 3.6Å; I55-W68 HydrophobicContact CD1-CZ2 3.38Å; I55-W68 HydrophobicContact CD1-CZ3 4.41Å; I55-W68 HydrophobicContact CG2-CH2 4.46Å; I57-W68 HydrophobicContact CD1-CZ2 4.34Å; I65-W68 HydrophobicContact CG2-CB 3.92Å; W68-C70 HydrophobicContact CH2-CB 3.59Å; W68-C70 HydrophobicContact CZ2-CB 4.23Å; W68-C70 HydrophobicContact CZ3-CB 4.05Å
69	Y	89.1	Confident	84.1	Confident	35 Å²	35	89.3 Å²	89.3	14%	0.137	41%	0.412	C	S	.	.			trans	-129.3	131.6	-180	-54	-70.3	0	0	0	110.6	D44 N45 E67 R74 L80 E81	D44-Y69 HydrophobicContact CB-CD1 4.2Å; D44-Y69 HydrophobicContact CB-CE1 3.65Å; N45-Y69 HydrophobicContact CB-CD1 3.81Å; N45-Y69 HydrophobicContact CB-CE1 4.13Å; E67-Y69 HydrophobicContact CB-CE2 4.41Å; Y69-R74 WeakPolarHBondContact O-CD 3.49Å; Y69-L80 HydrophobicContact CD1-CB 4.46Å; Y69-L80 HydrophobicContact CD1-CD1 4.16Å; Y69-L80 HydrophobicContact CD1-CD2 4.19Å; Y69-L80 HydrophobicContact CD2-CB 3.89Å; Y69-L80 HydrophobicContact CD2-CD2 4.41Å; Y69-L80 HydrophobicContact CE1-CD2 3.96Å; Y69-L80 HydrophobicContact CE2-CB 4.42Å; Y69-L80 HydrophobicContact CE2-CD2 4.22Å; Y69-L80 HydrophobicContact CG-CB 3.91Å; Y69-L80 HydrophobicContact CG-CD1 4.34Å; Y69-L80 HydrophobicContact CG-CD2 4.41Å; Y69-L80 HydrophobicContact CG-CG 4.45Å; Y69-E81 WeakPolarHBondContact CD2-O 3.47Å; Y69-E81 VanDerWaalsContact CE2-O 3.27Å; Y69-E81 WeakPolarHBondContact CE2-O 3.34Å
70	C	87.8	Confident	84.1	Confident	5 Å²	5	86.3 Å²	86.3	3%	0.034	40%	0.399	C	S	.	.			trans	-67.8	160	177.4	71.3	0	0	0	0	111.7	C43 F50 W68 E72 C73 R74	C43-C70 HydrophobicContact CB-CB 4.16Å; C43-C70 PolarHBondContact SG-N 3.39Å; F50-C70 HydrophobicContact CD2-CB 4.38Å; F50-C70 HydrophobicContact CE1-CB 4.29Å; F50-C70 HydrophobicContact CE2-CB 3.68Å; F50-C70 HydrophobicContact CZ-CB 3.64Å; W68-C70 HydrophobicContact CH2-CB 3.59Å; W68-C70 HydrophobicContact CZ2-CB 4.23Å; W68-C70 HydrophobicContact CZ3-CB 4.05Å; C70-E72 PolarHBondContact O-N 3.42Å; C70-C73 PolarHBondContact O-N 2.97Å; C70-C73 VanDerWaalsContact O-N 3.08Å; C70-C73 PolarHBondContact SG-SG 3.31Å; C70-R74 WeakPolarHBondContact O-CG 3.42Å; C70-R74 PolarHBondContact O-N 3.05Å; C70-R74 VanDerWaalsContact O-N 3.16Å
71	R	83.6	Confident	83.9	Confident	191 Å²	191	84.7 Å²	84.7	72%	0.721	39%	0.394	S	S	*	.	H	α-helix	trans	-48.9	-53.6	-177.5	172.4	179.8	-83.8	-152.4	-1.3	112.1	C73 R74 E75	R71-C73 VanDerWaalsContact C-N 3.29Å; R71-C73 PolarHBondContact O-N 3.11Å; R71-R74 PolarHBondContact O-N 2.82Å; R71-E75 WeakPolarHBondContact CD-OE1 3.43Å; R71-E75 HydrophobicContact CG-CG 4.24Å; R71-E75 WeakPolarHBondContact CG-OE1 3.48Å; R71-E75 WeakPolarHBondContact CG-OE2 3.37Å; R71-E75 IonicContact NE-OE1 3.11Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 3.42Å
72	E	84.3	Confident	84.3	Confident	94 Å²	94	82.2 Å²	82.2	44%	0.439	38%	0.382	S	S	.	.	H	α-helix	trans	-57.3	-38.3	-179.5	-67.8	-179.3	-127.2	0	0	114	C70 R74 E75 K76	C70-E72 PolarHBondContact O-N 3.42Å; E72-R74 VanDerWaalsContact C-N 3.33Å; E72-E75 PolarHBondContact O-N 2.79Å; E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 VanDerWaalsContact O-CD 3.29Å; E72-K76 WeakPolarHBondContact O-CD 3.41Å; E72-K76 WeakPolarHBondContact O-CG 2.97Å; E72-K76 PolarHBondContact O-N 2.84Å; E72-K76 IonicContact OE2-NZ 2.68Å; E72-K76 PolarHBondContact OE2-NZ 3.06Å
73	C	85.6	Confident	84.2	Confident	8 Å²	8	88 Å²	88	5%	0.054	40%	0.4	C	S	.	.	H	α-helix	trans	-67.3	-38.6	177.6	-73.4	0	0	0	0	110.8	N45 C70 R71 E75 K76 D77 L80	N45-C73 HydrophobicContact CB-CB 4.25Å; N45-C73 PolarHBondContact ND2-SG 3.29Å; N45-C73 VanDerWaalsContact ND2-SG 3.41Å; C70-C73 PolarHBondContact O-N 2.97Å; C70-C73 VanDerWaalsContact O-N 3.08Å; C70-C73 PolarHBondContact SG-SG 3.31Å; R71-C73 VanDerWaalsContact C-N 3.29Å; R71-C73 PolarHBondContact O-N 3.11Å; C73-E75 VanDerWaalsContact C-N 3.34Å; C73-K76 PolarHBondContact O-N 3.11Å; C73-D77 PolarHBondContact O-N 2.85Å; C73-L80 HydrophobicContact CB-CD1 3.92Å
74	R	82.6	Confident	84.3	Confident	119 Å²	119	88.5 Å²	88.5	45%	0.449	40%	0.399	S	S	.	.	H	α-helix	trans	-73.7	-25.4	179.2	-60.3	-178.5	57.3	-133.1	-11.9	113.2	Y69 C70 R71 E72 D77 L80	Y69-R74 WeakPolarHBondContact O-CD 3.49Å; C70-R74 WeakPolarHBondContact O-CG 3.42Å; C70-R74 PolarHBondContact O-N 3.05Å; C70-R74 VanDerWaalsContact O-N 3.16Å; R71-R74 PolarHBondContact O-N 2.82Å; E72-R74 VanDerWaalsContact C-N 3.33Å; R74-D77 CarbonylContact O-C 3.57Å; R74-L80 HydrophobicContact CG-CB 4.29Å; R74-L80 WeakPolarHBondContact CG-O 3.38Å; R74-L80 PolarHBondContact NE-O 2.79Å
75	E	82.8	Confident	84.1	Confident	125 Å²	125	93.7 Å²	93.7	58%	0.584	41%	0.409	S	S	*	.	H	α-helix	trans	-79.2	-33.9	172.5	-72.1	164.2	170.4	0	0	111.9	R71 E72 C73	R71-E75 WeakPolarHBondContact CD-OE1 3.43Å; R71-E75 HydrophobicContact CG-CG 4.24Å; R71-E75 WeakPolarHBondContact CG-OE1 3.48Å; R71-E75 WeakPolarHBondContact CG-OE2 3.37Å; R71-E75 IonicContact NE-OE1 3.11Å; R71-E75 WeakPolarHBondContact O-CG 3.47Å; R71-E75 PolarHBondContact O-N 3.42Å; E72-E75 PolarHBondContact O-N 2.79Å; C73-E75 VanDerWaalsContact C-N 3.34Å
76	K	83.4	Confident	83.6	Confident	145 Å²	145	102.5 Å²	102.5	63%	0.63	45%	0.45	S	S	*	.	H	α-helix	trans	-77.6	-38.7	176.2	-69.9	161.6	-172.5	165.9	0	112.5	E72 C73	E72-K76 WeakPolarHBondContact O-CB 3.4Å; E72-K76 VanDerWaalsContact O-CD 3.29Å; E72-K76 WeakPolarHBondContact O-CD 3.41Å; E72-K76 WeakPolarHBondContact O-CG 2.97Å; E72-K76 PolarHBondContact O-N 2.84Å; E72-K76 IonicContact OE2-NZ 2.68Å; E72-K76 PolarHBondContact OE2-NZ 3.06Å; C73-K76 PolarHBondContact O-N 3.11Å
77	D	79.5	Confident	82.2	Confident	82 Å²	82	104.1 Å²	104.1	44%	0.439	46%	0.461	S	S	.	.			trans	-126.1	98.6	175.9	-85.9	-64.6	0	0	0	110.6	C73 R74 K79 L80	C73-D77 PolarHBondContact O-N 2.85Å; R74-D77 CarbonylContact O-C 3.57Å; D77-K79 PolarHBondContact O-N 3.22Å; D77-L80 HydrophobicContact CB-CD1 3.85Å; D77-L80 HydrophobicContact CB-CG 3.82Å; D77-L80 WeakPolarHBondContact O-CB 3.38Å; D77-L80 PolarHBondContact O-N 2.93Å
78	P	78.9	Confident	80	Confident	117 Å²	117	112 Å²	112	76%	0.76	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-2.2	179.8	26.6	-34.8	0	0	0	114.1	L80	P78-L80 VanDerWaalsContact C-N 3.35Å
79	K	79.3	Confident	77.4	Confident	192 Å²	192	115.5 Å²	115.5	84%	0.835	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.4	172.5	-62.4	177.8	-178	173.6	0	113.2	D77 E81	D77-K79 PolarHBondContact O-N 3.22Å; K79-E81 PolarHBondContact O-N 3.35Å
80	L	85.1	Confident	75.2	Confident	31 Å²	31	125.4 Å²	125.4	16%	0.162	56%	0.558	C	S	.	*			trans	-89.8	89.8	180	-66.4	-178	0	0	0	112.1	N45 Y69 C73 R74 D77 P78	N45-L80 HydrophobicContact CB-CD1 4.08Å; Y69-L80 HydrophobicContact CD1-CB 4.46Å; Y69-L80 HydrophobicContact CD1-CD1 4.16Å; Y69-L80 HydrophobicContact CD1-CD2 4.19Å; Y69-L80 HydrophobicContact CD2-CB 3.89Å; Y69-L80 HydrophobicContact CD2-CD2 4.41Å; Y69-L80 HydrophobicContact CE1-CD2 3.96Å; Y69-L80 HydrophobicContact CE2-CB 4.42Å; Y69-L80 HydrophobicContact CE2-CD2 4.22Å; Y69-L80 HydrophobicContact CG-CB 3.91Å; Y69-L80 HydrophobicContact CG-CD1 4.34Å; Y69-L80 HydrophobicContact CG-CD2 4.41Å; Y69-L80 HydrophobicContact CG-CG 4.45Å; C73-L80 HydrophobicContact CB-CD1 3.92Å; R74-L80 HydrophobicContact CG-CB 4.29Å; R74-L80 WeakPolarHBondContact CG-O 3.38Å; R74-L80 PolarHBondContact NE-O 2.79Å; D77-L80 HydrophobicContact CB-CD1 3.85Å; D77-L80 HydrophobicContact CB-CG 3.82Å; D77-L80 WeakPolarHBondContact O-CB 3.38Å; D77-L80 PolarHBondContact O-N 2.93Å; P78-L80 VanDerWaalsContact C-N 3.35Å
81	E	80.1	Confident	72.6	Confident	140 Å²	140	134 Å²	134	65%	0.654	60%	0.598	S	S	*	*			trans	-93	140.3	175.2	-62.7	-172.4	141.2	0	0	112.6	Y69 K79 R83	Y69-E81 WeakPolarHBondContact CD2-O 3.47Å; Y69-E81 VanDerWaalsContact CE2-O 3.27Å; Y69-E81 WeakPolarHBondContact CE2-O 3.34Å; K79-E81 PolarHBondContact O-N 3.35Å; E81-R83 PolarHBondContact O-N 2.78Å
82	I	85.5	Confident	70.4	Confident	37 Å²	37	135.6 Å²	135.6	19%	0.19	60%	0.604	C	S	.	*			trans	-73.4	114.4	174.6	-61.3	169.3	0	0	0	108.3	I65 Y84	I65-I82 HydrophobicContact CD1-CG2 4.23Å; I65-I82 HydrophobicContact CG1-CG2 4.2Å; I65-I82 HydrophobicContact CG2-CG2 3.88Å; I82-Y84 HydrophobicContact CB-CE2 4.25Å; I82-Y84 HydrophobicContact CG2-CD2 4.47Å; I82-Y84 HydrophobicContact CG2-CE1 4.47Å; I82-Y84 HydrophobicContact CG2-CE2 3.79Å; I82-Y84 WeakPolarHBondContact O-CD2 3.44Å; I82-Y84 WeakPolarHBondContact O-CE2 3.39Å
83	R	84.3	Confident	67.9	Low	140 Å²	140	138.9 Å²	138.9	53%	0.528	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	128.3	179.9	-61.2	-163.1	176.3	131.8	-9.4	111.2	R66 E67 E81	R66-R83 WeakPolarHBondContact CA-O 3.44Å; R66-R83 WeakPolarHBondContact CB-O 3.44Å; R66-R83 PolarHBondContact N-O 3.24Å; E67-R83 HydrophobicContact CB-CB 4.21Å; E67-R83 PolarHBondContact N-O 3.15Å; E67-R83 PolarHBondContact O-N 3.12Å; E67-R83 WeakPolarHBondContact OE2-CD 3.44Å; E67-R83 IonicContact OE2-CZ 3.71Å; E67-R83 IonicContact OE2-NE 3.89Å; E67-R83 IonicContact OE2-NH1 2.79Å; E67-R83 PolarHBondContact OE2-NH1 3.3Å; E81-R83 PolarHBondContact O-N 2.78Å
84	Y	86.2	Confident	65.3	Low	131 Å²	131	141.9 Å²	141.9	51%	0.514	66%	0.657	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.7	161.7	176.1	-63.5	-92.3	0	0	0	111.4	I65 I82	I65-Y84 HydrophobicContact CD1-CE1 4.15Å; I65-Y84 HydrophobicContact CG1-CD1 3.76Å; I65-Y84 HydrophobicContact CG1-CE1 3.47Å; I65-Y84 VanDerWaalsContact CG1-CE1 3.47Å; I82-Y84 HydrophobicContact CB-CE2 4.25Å; I82-Y84 HydrophobicContact CG2-CD2 4.47Å; I82-Y84 HydrophobicContact CG2-CE1 4.47Å; I82-Y84 HydrophobicContact CG2-CE2 3.79Å; I82-Y84 WeakPolarHBondContact O-CD2 3.44Å; I82-Y84 WeakPolarHBondContact O-CE2 3.39Å
85	R	79.6	Confident	62.8	Low	156 Å²	156	142.8 Å²	142.8	59%	0.589	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-83.9	126.1	173.9	-59.6	178.3	-166	-162.6	8.4	109.3	A64 I65 R66 K87	A64-R85 PolarHBondContact O-N 3.31Å; I65-R85 PolarHBondContact O-NE 2.97Å; I65-R85 PolarHBondContact O-NH2 3.36Å; R66-R85 HydrophobicContact CB-CG 3.97Å; R85-K87 PolarHBondContact O-N 3.28Å
86	H	74.8	Confident	60.3	Low	194 Å²	194	145.8 Å²	145.8	90%	0.898	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-58.8	122.4	173.7	-88.6	-94.2	0	0	0	111.2	K88	H86-K88 PolarHBondContact O-N 3.46Å
87	K	55.8	Low	57.9	Low	198 Å²	198	150 Å²	150	86%	0.861	70%	0.696	S	S	*	*			trans	-73.5	106.2	169.1	-178	-174.2	178	-169.6	0	107.9	R85 S89	R85-K87 PolarHBondContact O-N 3.28Å; K87-S89 PolarHBondContact O-N 3.49Å
88	K	42	Very low	55.5	Low	201 Å²	201	153.5 Å²	153.5	87%	0.874	72%	0.715	S	S	*	*			trans	-73.1	95.3	176.2	-171.6	171.8	-175.4	174.8	0	109.9	H86	H86-K88 PolarHBondContact O-N 3.46Å
89	S	35.3	Very low	53.2	Low	84 Å²	84	152.6 Å²	152.6	59%	0.587	71%	0.712	S	S	*	*			trans	-62.1	150.2	165.3	39.5	0	0	0	0	110.4	K87	K87-S89 PolarHBondContact O-N 3.49Å
90	R	43.2	Very low	50.9	Low	244 Å²	244	149.4 Å²	149.4	92%	0.921	71%	0.714	S	S	*	*			trans	-112.9	87.4	165.4	-74.9	-179.9	68.7	-171.8	2.8	106.9
91	E	33.5	Very low	48.4	Very low	184 Å²	184	154.5 Å²	154.5	86%	0.86	74%	0.737	S	S	*	*			trans	-124.9	157.9	167.8	-71.3	-178.9	141.4	0	0	109.1
92	R	37.2	Very low	46.5	Very low	226 Å²	226	153.8 Å²	153.8	85%	0.853	74%	0.744	S	S	*	*			trans	-123.7	125.5	-170.8	169.4	-155.9	-129.3	-163	1.5	106
93	D	31.8	Very low	43.8	Very low	162 Å²	162	161.4 Å²	161.4	87%	0.866	77%	0.77	S	S	*	*			trans	-165.6	180	132.4	-89.7	-28.1	0	0	0	107.6
94	G	30.7	Very low	41.3	Very low	72 Å²	72	162.5 Å²	162.5	74%	0.742	79%	0.787	S	S	*	*			trans	-166	-169.4	-172.6	0	0	0	0	0	114.4
95	N	30.9	Very low	38.7	Very low	138 Å²	138	164.7 Å²	164.7	74%	0.738	80%	0.802	S	S	*	*			trans	62.1	102.3	179.7	-172	81.6	0	0	0	115.7
96	E	29.3	Very low	36.2	Very low	187 Å²	187	161.1 Å²	161.1	87%	0.874	81%	0.813	S	S	*	*				-154.7	174.4	115.1	-113.7	175.2	165.9	0	0	111.5
97	R	33.3	Very low	34.1	Very low	233 Å²	233	156 Å²	156	88%	0.879	81%	0.814	S	S	*	*			trans	-110.1	146.5	-173.4	-57	169.2	178	163.3	-3.2	110.3
98	D	28.4	Very low	32.8	Very low	156 Å²	156	150.3 Å²	150.3	83%	0.834	81%	0.81	S	S	*	*				-158.5	-170.1	122.2	-151.7	-5.7	0	0	0	111.3
99	S	30.9	Very low	32.3	Very low	98 Å²	98	153 Å²	153	69%	0.685	82%	0.815	S	S	*	*			trans	-135.8	137.8	-144.2	-39.4	0	0	0	0	112.8
100	S	31.8	Very low	32	Very low	125 Å²	125	159 Å²	159	87%	0.874	83%	0.831	S	S	*	*			trans	-164.3	128.9	150.4	27.1	0	0	0	0	111.7
101	E	31.7	Very low	31.3	Very low	138 Å²	138	158.9 Å²	158.9	65%	0.645	83%	0.83	S	S	*	*			trans	-83.8	173.5	167	-106.7	-171.4	147.7	0	0	109.7	R103	E101-R103 IonicContact OE1-CZ 3.19Å; E101-R103 IonicContact OE1-NE 2.73Å; E101-R103 PolarHBondContact OE1-NE 2.71Å; E101-R103 IonicContact OE1-NH2 2.76Å; E101-R103 PolarHBondContact OE1-NH2 3.49Å
102	P	40.1	Very low	31.5	Very low	126 Å²	126	156.1 Å²	156.1	82%	0.818	83%	0.828	S	S	*	*			cis	-133.7	-166.3	28.9	41.7	-22.2	0	0	0	116.2
103	R	29.9	Very low	31.5	Very low	196 Å²	196	151.6 Å²	151.6	74%	0.74	83%	0.826	S	S	*	*			trans	-102.2	165.8	-164.8	-49.9	169.7	-166.8	178.3	5.3	112.3	E101	E101-R103 IonicContact OE1-CZ 3.19Å; E101-R103 IonicContact OE1-NE 2.73Å; E101-R103 PolarHBondContact OE1-NE 2.71Å; E101-R103 IonicContact OE1-NH2 2.76Å; E101-R103 PolarHBondContact OE1-NH2 3.49Å
104	D	30.7	Very low	31.6	Very low	163 Å²	163	149.6 Å²	149.6	87%	0.872	82%	0.821	S	S	*	*			trans	-130.1	153.3	148.4	-165.6	5.7	0	0	0	108.1
105	E	30.9	Very low	31.6	Very low	178 Å²	178	153.4 Å²	153.4	83%	0.832	83%	0.825	S	S	*	*			trans	-102.5	158.5	-169.7	-74.7	-135.5	127.9	0	0	114.2
106	G	28.8	Very low	32.4	Very low	80 Å²	80	151.9 Å²	151.9	83%	0.825	82%	0.823	S	S	*	*			trans	147.7	118.5	153	0	0	0	0	0	117.5
107	G	29.6	Very low	32.5	Very low	88 Å²	88	148.5 Å²	148.5	91%	0.907	81%	0.81	S	S	*	*			trans	89.2	69	147.1	0	0	0	0	0	118.4
108	G	28	Very low	32.3	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	81%	0.809	S	S	*	*			trans	-84.7	159.2	168.7	0	0	0	0	0	114.6
109	R	31.9	Very low	32.4	Very low	257 Å²	257	144.1 Å²	144.1	97%	0.97	80%	0.799	S	S	*	*			trans	-150.2	148.2	154.5	-106.8	171.8	-166.9	-138.5	0.2	110.6
110	K	29.2	Very low	32.3	Very low	212 Å²	212	149.9 Å²	149.9	92%	0.922	81%	0.806	S	S	*	*			trans	-84.5	157	-160.7	-55.1	-177.5	-178.8	-178	0	113.9
111	R	29.4	Very low	32.2	Very low	240 Å²	240	156 Å²	156	91%	0.906	81%	0.81	S	S	*	*			trans	-124.7	147.2	155.8	-103.9	-176.1	171.2	-115.2	-1.3	109.1
112	P	37.6	Very low	32.1	Very low	126 Å²	126	154.4 Å²	154.4	82%	0.818	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-85.5	164.2	-177	34.8	-35.8	0	0	0	113.5
113	V	35.8	Very low	31.4	Very low	132 Å²	132	151.5 Å²	151.5	80%	0.8	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-102.8	147.6	172.7	176.2	0	0	0	0	109.1
114	P	34.6	Very low	31.5	Very low	119 Å²	119	148.6 Å²	148.6	77%	0.773	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-103	140.3	156.2	35.3	-26.8	0	0	0	111.6
115	D	31	Very low	31.4	Very low	153 Å²	153	144 Å²	144	82%	0.818	81%	0.814	S	S	*	*			trans	-114.3	-168.2	167.8	-144.8	7.3	0	0	0	108.2
116	P	46.5	Very low	31.4	Very low	106 Å²	106	142.4 Å²	142.4	69%	0.688	82%	0.817	S	S	*	*				-127.1	-161.4	-120.3	42.4	-23.8	0	0	0	114.9
117	D	31.6	Very low	31.4	Very low	116 Å²	116	142.2 Å²	142.2	62%	0.62	82%	0.815	S	S	*	*			trans	81.4	122.1	156.6	-147.3	-3	0	0	0	118.9
118	L	30.4	Very low	31.4	Very low	164 Å²	164	144.6 Å²	144.6	86%	0.859	81%	0.811	S	S	*	*				-174.2	103.1	115.7	-98.4	172.6	0	0	0	114.2
119	Q	30.7	Very low	31.3	Very low	133 Å²	133	144.9 Å²	144.9	62%	0.621	81%	0.814	S	S	*	*			trans	8.7	131.1	146.5	-105.5	52.7	-47.4	0	0	122.8
120	R	27.4	Very low	31.2	Very low	219 Å²	219	137.8 Å²	137.8	83%	0.826	81%	0.811	S	S	*	*				81.5	111.7	121.1	-166.2	-166.7	-57.4	-102.6	4.6	120.9
121	R	30.1	Very low	31.2	Very low	252 Å²	252	136.1 Å²	136.1	95%	0.951	81%	0.808	S	S	*	*				-146.6	160.6	122.6	-110.8	-178.9	-175.7	-144.8	-0.5	110.5
122	A	29.3	Very low	31.3	Very low	106 Å²	106	133.1 Å²	133.1	88%	0.876	81%	0.809	S	S	*	*			trans	-144.7	163.2	-166.7	0	0	0	0	0	113.7
123	G	26.4	Very low	30.9	Very low	65 Å²	65	131.2 Å²	131.2	67%	0.67	80%	0.804	S	S	*	*			trans	160.5	101.9	175.6	0	0	0	0	0	108.6
124	S	32.7	Very low	30.5	Very low	134 Å²	134	137.1 Å²	137.1	94%	0.937	81%	0.812	S	S	*	*				76.2	119.8	75.4	-62.5	0	0	0	0	112.7
125	G	27	Very low	30.1	Very low	66 Å²	66	134.7 Å²	134.7	68%	0.68	81%	0.809	S	S	*	*			cis	-178.5	175.5	-4.3	0	0	0	0	0	114.2
126	T	31.2	Very low	30	Very low	146 Å²	146	133.6 Å²	133.6	90%	0.896	81%	0.813	S	S	*	*			trans	30.1	131.3	143.6	52.5	0	0	0	0	120
127	G	28.1	Very low	29.1	Very low	75 Å²	75	133 Å²	133	77%	0.773	82%	0.817	S	S	*	*			cis	171.8	-149	6.9	0	0	0	0	0	108.8
128	V	30.3	Very low	29.3	Very low	139 Å²	139	132.8 Å²	132.8	84%	0.842	83%	0.825	S	S	*	*			cis	-159.4	149.3	-4.5	-74.5	0	0	0	0	110.1
129	G	26.9	Very low	29.9	Very low	83 Å²	83	130.5 Å²	130.5	86%	0.856	82%	0.82	S	S	*	*			trans	73.6	158.3	163	0	0	0	0	0	118.6
130	A	29.6	Very low	29.8	Very low	108 Å²	108	132.2 Å²	132.2	89%	0.893	83%	0.828	S	S	*	*			cis	-156.8	173.8	-9.9	0	0	0	0	0	112.4
131	M	29.1	Very low	29.8	Very low	177 Å²	177	131.2 Å²	131.2	87%	0.872	83%	0.829	S	S	*	*			trans	-65.9	153.4	-172.7	-60.6	-78.2	-176.7	0	0	116.1
132	L	31.5	Very low	29.7	Very low	177 Å²	177	124.6 Å²	124.6	93%	0.927	82%	0.821	S	S	*	*				-174.6	177.1	112.6	-97.1	170.3	0	0	0	112.3
133	A	28.3	Very low	29.7	Very low	86 Å²	86	124.6 Å²	124.6	71%	0.711	82%	0.815	S	S	*	*			trans	-138.3	-178.6	-159.4	0	0	0	0	0	115.7
134	R	28.8	Very low	30.3	Very low	255 Å²	255	127.3 Å²	127.3	96%	0.962	82%	0.821	S	S	*	*			trans	90.1	139.4	-177.2	-56.6	173.4	167.9	-147	-3.4	114.9
135	G	25.3	Very low	30.2	Very low	69 Å²	69	129.4 Å²	129.4	71%	0.711	82%	0.816	S	S	*	*			cis	142.9	127	-17.8	0	0	0	0	0	115.7
136	S	27.8	Very low	31.4	Very low	130 Å²	130	131.3 Å²	131.3	91%	0.909	82%	0.816	S	S	*	*			trans	65.9	158.5	161.4	-59.5	0	0	0	0	118
137	A	28.2	Very low	31.2	Very low	93 Å²	93	132.4 Å²	132.4	77%	0.769	82%	0.816	S	S	*	*			cis	-164.4	167.7	-26.1	0	0	0	0	0	109.1
138	S	35.3	Very low	31.3	Very low	112 Å²	112	135.3 Å²	135.3	78%	0.783	82%	0.818	S	S	*	*			trans	-81.2	165.3	172	-48.9	0	0	0	0	112.9
139	P	43.3	Very low	31.2	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	81%	0.81	S	S	*	*				-147.2	127.2	126.9	33.7	-16.2	0	0	0	117.6
140	H	29.5	Very low	31.4	Very low	170 Å²	170	134.8 Å²	134.8	79%	0.787	81%	0.807	S	S	*	*				39.5	146.3	126.2	-63.5	-74	0	0	0	126
141	K	27.2	Very low	31.8	Very low	197 Å²	197	135.4 Å²	135.4	86%	0.857	80%	0.802	S	S	*	*			trans	73.9	152.7	153	-75.1	172.4	-178.5	-178.5	0	116.9
142	S	27.6	Very low	31.9	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	80%	0.797	S	S	*	*			cis	-160.3	166.8	-9.5	36.9	0	0	0	0	111.1
143	S	29.2	Very low	32.4	Very low	106 Å²	106	133 Å²	133	74%	0.741	80%	0.796	S	S	*	*			trans	-90.5	155.7	170.9	-157.3	0	0	0	0	111.1
144	P	39.3	Very low	32.9	Very low	122 Å²	122	136.5 Å²	136.5	79%	0.792	80%	0.797	S	S	*	*				-144.3	-177.6	85.1	40.2	-23.4	0	0	0	115.8
145	Q	30.4	Very low	33.4	Very low	178 Å²	178	130.7 Å²	130.7	83%	0.832	78%	0.781	S	S	*	*			trans	-107.6	-179.7	162.8	-74.9	-165.8	-0.6	0	0	109.6
146	P	51.7	Low	34	Very low	106 Å²	106	135.1 Å²	135.1	69%	0.688	78%	0.783	S	S	*	*			cis	-129.3	-175	-3.2	41.8	-26.4	0	0	0	114.2
147	L	28.9	Very low	34.5	Very low	169 Å²	169	135.9 Å²	135.9	89%	0.885	77%	0.772	S	S	*	*			trans	-173.2	-176	132.3	-98.9	171.8	0	0	0	110.9
148	V	30.3	Very low	35.1	Very low	136 Å²	136	138.7 Å²	138.7	82%	0.824	77%	0.769	S	S	*	*			trans	-111.8	160	-150	-166.1	0	0	0	0	114.9
149	A	27.5	Very low	35.6	Very low	81 Å²	81	140 Å²	140	67%	0.669	76%	0.763	S	S	*	*			trans	106.1	93.4	153.4	0	0	0	0	0	119.9
150	T	30.9	Very low	35.5	Very low	131 Å²	131	141.5 Å²	141.5	80%	0.804	76%	0.76	S	S	*	*				26.1	156.6	124	58.5	0	0	0	0	122.5
151	P	38.7	Very low	36.4	Very low	120 Å²	120	140.4 Å²	140.4	78%	0.779	76%	0.758	S	S	*	*			cis	-138.3	150.9	-38.4	37.9	-21.9	0	0	0	113.2
152	S	31.4	Very low	37.3	Very low	109 Å²	109	140 Å²	140	76%	0.762	76%	0.757	S	S	*	*			trans	-148.1	104.9	167.9	-163.7	0	0	0	0	114.8	H154	S152-H154 PolarHBondContact O-N 2.91Å
153	Q	41.3	Very low	38.2	Very low	195 Å²	195	145.7 Å²	145.7	91%	0.911	76%	0.761	S	S	*	*	S	Bend	trans	21.6	-8.7	153.6	-58	-172.7	-2.7	0	0	124.1
154	H	39.5	Very low	39.4	Very low	160 Å²	160	143.4 Å²	143.4	74%	0.741	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-2.8	-164.5	-130.2	-68.5	0	0	0	116.9	S152	S152-H154 PolarHBondContact O-N 2.91Å
155	H	37.7	Very low	40.5	Very low	133 Å²	133	141.3 Å²	141.3	62%	0.616	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-12.8	-173.2	-159.3	73.4	0	0	0	115.1	Q157 Q159	H155-Q157 PolarHBondContact O-N 2.94Å; H155-Q159 PolarHBondContact NE2-NE2 3.39Å
156	Q	38.1	Very low	42.3	Very low	162 Å²	162	141.5 Å²	141.5	76%	0.757	73%	0.731	S	S	*	*	S	Bend	trans	-78.9	-22.1	-171	-156.4	159.6	15	0	0	113.8
157	Q	38.9	Very low	43.4	Very low	146 Å²	146	139.9 Å²	139.9	68%	0.682	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-79.4	-30.2	-173.8	-148.3	171.3	30.5	0	0	113.8	H155 Q159	H155-Q157 PolarHBondContact O-N 2.94Å; Q157-Q159 VanDerWaalsContact C-N 3.3Å; Q157-Q159 PolarHBondContact O-N 3.13Å
158	Q	41.4	Very low	46	Very low	151 Å²	151	133 Å²	133	71%	0.706	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-75.4	-11.1	-178.1	-73.8	-168.1	-4.2	0	0	114.7
159	Q	45.4	Very low	48.5	Very low	139 Å²	139	128.6 Å²	128.6	65%	0.65	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-91.9	-14.1	-179.8	-60.7	-162.2	14.9	0	0	114.4	H155 Q157	H155-Q159 PolarHBondContact NE2-NE2 3.39Å; Q157-Q159 VanDerWaalsContact C-N 3.3Å; Q157-Q159 PolarHBondContact O-N 3.13Å
160	Q	41.4	Very low	51.2	Low	148 Å²	148	132.4 Å²	132.4	69%	0.692	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-33.3	-177.3	-67	-169	-10.4	0	0	114.2	K162 R163	Q160-K162 PolarHBondContact O-N 2.69Å; Q160-K162 VanDerWaalsContact O-N 3.13Å; Q160-R163 PolarHBondContact O-N 2.65Å
161	I	48.7	Very low	53.8	Low	146 Å²	146	127 Å²	127	75%	0.749	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-66.3	-20.8	-170.1	-62.5	176.6	0	0	0	113.3	R163	I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.41Å
162	K	45.2	Very low	56	Low	190 Å²	190	126 Å²	126	83%	0.826	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-76.5	2.6	-178.6	-67.9	-178.3	179.6	174.6	0	115.4	Q160	Q160-K162 PolarHBondContact O-N 2.69Å; Q160-K162 VanDerWaalsContact O-N 3.13Å
163	R	46.9	Very low	58.6	Low	232 Å²	232	121 Å²	121	88%	0.875	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-98.2	-11.1	-175.3	-80.8	-174.8	167.5	-177.4	-2.9	117.1	Q160 I161	Q160-R163 PolarHBondContact O-N 2.65Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.41Å
164	S	54	Low	60.8	Low	58 Å²	58	113 Å²	113	41%	0.406	55%	0.55	S	S	.	.			trans	-107.4	16.4	-173.2	-149	0	0	0	0	117.1	R166 M167	S164-R166 PolarHBondContact O-N 3.34Å; S164-M167 PolarHBondContact O-N 2.84Å; S164-M167 VanDerWaalsContact O-N 3.14Å; S164-M167 PolarHBondContact OG-O 3.49Å
165	A	62	Low	63	Low	77 Å²	77	114.4 Å²	114.4	64%	0.636	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.5	179.8	0	0	0	0	0	115
166	R	67.6	Low	65.4	Low	182 Å²	182	112.6 Å²	112.6	69%	0.687	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	9.3	-178.3	-59.9	-172.8	-176.2	-174.1	3.4	114.9	S164 C207	S164-R166 PolarHBondContact O-N 3.34Å; R166-C207 VanDerWaalsContact O-CB 3.25Å; R166-C207 WeakPolarHBondContact O-CB 3.36Å
167	M	76	Confident	67.6	Low	72 Å²	72	110.2 Å²	110.2	36%	0.355	53%	0.533	S	S	.	.			trans	-141.7	130.4	-179.4	-57.3	-170.1	-42.8	0	0	109.9	S164 K201	S164-M167 PolarHBondContact O-N 2.84Å; S164-M167 VanDerWaalsContact O-N 3.14Å; S164-M167 PolarHBondContact OG-O 3.49Å; M167-K201 PolarHBondContact SD-NZ 3Å
168	C	84	Confident	69.9	Low	24 Å²	24	110.7 Å²	110.7	16%	0.162	54%	0.535	C	S	.	.			trans	-87	-8.8	173.8	65.1	0	0	0	0	113.6	E170 C171 C207 L209	C168-E170 PolarHBondContact O-N 2.91Å; C168-C171 VanDerWaalsContact SG-CB 3.58Å; C168-C171 PolarHBondContact SG-N 2.86Å; C168-C171 VanDerWaalsContact SG-N 3.4Å; C168-C171 PolarHBondContact SG-SG 3.42Å; C168-C207 PolarHBondContact N-SG 3.48Å; C168-C207 VanDerWaalsContact N-SG 3.37Å; C168-C207 PolarHBondContact SG-SG 3.31Å; C168-L209 HydrophobicContact CB-CD1 4.25Å
169	G	82	Confident	72.2	Confident	45 Å²	45	104.7 Å²	104.7	46%	0.464	51%	0.508	S	S	.	.	S	Bend	trans	78.6	-46.4	-175.2	0	0	0	0	0	113.5	C174	G169-C174 VanDerWaalsContact O-CB 3.31Å; G169-C174 WeakPolarHBondContact O-CB 3.22Å
170	E	85.3	Confident	74.3	Confident	161 Å²	161	100 Å²	100	75%	0.752	49%	0.491	S	S	*	.	S	Bend	trans	-82.8	-36.6	-166.7	-66.4	153.1	-177.1	0	0	114.9	C168 R175	C168-E170 PolarHBondContact O-N 2.91Å; E170-R175 WeakPolarHBondContact O-CD 3.44Å
171	C	84.1	Confident	76.5	Confident	17 Å²	17	93.9 Å²	93.9	12%	0.115	47%	0.466	C	S	.	.	S	Bend	trans	-64	153.1	-175.7	78	0	0	0	0	111.8	C168 A173 C174 R175	C168-C171 VanDerWaalsContact SG-CB 3.58Å; C168-C171 PolarHBondContact SG-N 2.86Å; C168-C171 VanDerWaalsContact SG-N 3.4Å; C168-C171 PolarHBondContact SG-SG 3.42Å; C171-A173 PolarHBondContact O-N 2.63Å; C171-A173 VanDerWaalsContact O-N 3.1Å; C171-C174 WeakPolarHBondContact O-CA 3.31Å; C171-C174 WeakPolarHBondContact O-CB 3.45Å; C171-C174 PolarHBondContact O-N 3.32Å; C171-R175 PolarHBondContact O-N 2.95Å
172	E	85.1	Confident	78.2	Confident	98 Å²	98	93.5 Å²	93.5	46%	0.458	46%	0.461	S	S	.	.	H	α-helix	trans	-49	-42.7	-177.2	-166.3	-157.4	154	0	0	112.9	C174 R175 R176	E172-C174 PolarHBondContact O-N 2.85Å; E172-R175 PolarHBondContact O-N 2.9Å; E172-R176 VanDerWaalsContact CD-NH1 3.29Å; E172-R176 PolarHBondContact O-N 2.7Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 IonicContact OE1-CZ 3.09Å; E172-R176 IonicContact OE1-NH1 3.58Å; E172-R176 PolarHBondContact OE1-NH1 2.78Å; E172-R176 IonicContact OE1-NH2 2.69Å; E172-R176 PolarHBondContact OE1-NH2 2.88Å
173	A	86.4	Confident	80.3	Confident	4 Å²	4	84.7 Å²	84.7	3%	0.033	42%	0.424	C	S	.	.	H	α-helix	trans	-70.6	-24.6	177	0	0	0	0	0	114.2	C171 L204 R205 Q206 Q208	C171-A173 PolarHBondContact O-N 2.63Å; C171-A173 VanDerWaalsContact O-N 3.1Å; A173-L204 WeakPolarHBondContact CA-O 3.47Å; A173-L204 WeakPolarHBondContact CB-O 3.31Å; A173-R205 CarbonylContact O-C 3.57Å; A173-R205 VanDerWaalsContact O-CA 3.26Å; A173-R205 WeakPolarHBondContact O-CA 3.48Å; A173-Q206 WeakPolarHBondContact CB-O 3.41Å; A173-Q208 HydrophobicContact CB-CG 4.36Å
174	C	87	Confident	82.4	Confident	28 Å²	28	76.4 Å²	76.4	19%	0.189	40%	0.397	C	S	.	.	H	α-helix	trans	-79.6	-30.8	170	-75	0	0	0	0	112.5	G169 C171 E172 R176 C207	G169-C174 VanDerWaalsContact O-CB 3.31Å; G169-C174 WeakPolarHBondContact O-CB 3.22Å; C171-C174 WeakPolarHBondContact O-CA 3.31Å; C171-C174 WeakPolarHBondContact O-CB 3.45Å; C171-C174 PolarHBondContact O-N 3.32Å; E172-C174 PolarHBondContact O-N 2.85Å; C174-R176 VanDerWaalsContact C-N 3.34Å; C174-C207 VanDerWaalsContact SG-CB 3.56Å; C174-C207 VanDerWaalsContact SG-SG 3.63Å
175	R	85.8	Confident	84.1	Confident	190 Å²	190	74.1 Å²	74.1	72%	0.717	38%	0.38	S	S	*	.	H	α-helix	trans	-75.2	-18.7	176.8	-65.4	-179	64.2	-124.1	-2.8	113.4	E170 C171 E172 T177	E170-R175 WeakPolarHBondContact O-CD 3.44Å; C171-R175 PolarHBondContact O-N 2.95Å; E172-R175 PolarHBondContact O-N 2.9Å; R175-T177 PolarHBondContact O-N 3.35Å
176	R	87.4	Confident	85.5	Confident	95 Å²	95	70.5 Å²	70.5	36%	0.358	35%	0.349	S	S	.	.			trans	-68.8	109.1	174.6	-80.2	-168.7	173.4	88	9.4	113.2	E172 C174 R205	E172-R176 VanDerWaalsContact CD-NH1 3.29Å; E172-R176 PolarHBondContact O-N 2.7Å; E172-R176 VanDerWaalsContact O-N 3.14Å; E172-R176 IonicContact OE1-CZ 3.09Å; E172-R176 IonicContact OE1-NH1 3.58Å; E172-R176 PolarHBondContact OE1-NH1 2.78Å; E172-R176 IonicContact OE1-NH2 2.69Å; E172-R176 PolarHBondContact OE1-NH2 2.88Å; C174-R176 VanDerWaalsContact C-N 3.34Å; R176-R205 HydrophobicContact CB-CG 4.02Å; R176-R205 PolarHBondContact O-NE 3.39Å; R176-R205 PolarHBondContact O-NH2 3.33Å
177	T	84.2	Confident	86.6	Confident	112 Å²	112	68.9 Å²	68.9	69%	0.687	34%	0.343	S	S	*	.			trans	-66.9	-38.1	169.7	43.9	0	0	0	0	112.9	R175 R205	R175-T177 PolarHBondContact O-N 3.35Å; T177-R205 PolarHBondContact O-NH2 3.05Å
178	E	89.1	Confident	87.4	Confident	156 Å²	156	65.8 Å²	65.8	73%	0.729	33%	0.328	S	S	*	.	S	Bend	trans	-101.5	146.6	-168.3	-71.6	165.5	-144.4	0	0	114.4	R205	E178-R205 VanDerWaalsContact O-CD 3.23Å; E178-R205 WeakPolarHBondContact O-CD 3.27Å
179	D	89.3	Confident	87.7	Confident	24 Å²	24	66.2 Å²	66.2	13%	0.128	33%	0.328	C	S	.	.			trans	-92.2	128.8	176.4	-62.4	-68.1	0	0	0	110	G181 K191 F192 C202 R205	D179-G181 PolarHBondContact O-N 3.22Å; D179-K191 IonicContact OD2-NZ 3.94Å; D179-K191 PolarHBondContact OD2-NZ 3.04Å; D179-F192 HydrophobicContact CB-CE2 3.91Å; D179-F192 HydrophobicContact CB-CZ 4.18Å; D179-C202 HydrophobicContact CB-CB 3.92Å; D179-C202 WeakPolarHBondContact OD1-CB 3.31Å; D179-R205 WeakPolarHBondContact OD1-CD 3.28Å; D179-R205 IonicContact OD1-CZ 3.81Å; D179-R205 IonicContact OD1-NE 2.72Å; D179-R205 IonicContact OD1-NH1 3.55Å; D179-R205 PolarHBondContact OD1-NH1 3.2Å; D179-R205 IonicContact OD2-NH1 2.79Å; D179-R205 PolarHBondContact OD2-NH1 3.13Å
180	C	89.6	Confident	87.9	Confident	42 Å²	42	72 Å²	72	28%	0.284	34%	0.34	S	S	.	.			trans	-70.7	3.5	-162.3	71.2	0	0	0	0	117.4	H182 C202 L204	C180-H182 PolarHBondContact O-N 3.19Å; C180-H182 PolarHBondContact O-ND1 3.31Å; C180-C202 PolarHBondContact N-SG 3.27Å; C180-C202 VanDerWaalsContact N-SG 3.44Å; C180-L204 HydrophobicContact CB-CD1 3.8Å; C180-L204 HydrophobicContact CB-CG 4.35Å
181	G	86.1	Confident	88	Confident	18 Å²	18	70.6 Å²	70.6	19%	0.186	33%	0.332	C	S	.	.	S	Bend	trans	67.7	-44.1	-173.6	0	0	0	0	0	115.9	D179 C186	D179-G181 PolarHBondContact O-N 3.22Å; G181-C186 WeakPolarHBondContact O-CB 3.02Å
182	H	86.3	Confident	88.2	Confident	138 Å²	138	73.9 Å²	73.9	64%	0.639	34%	0.344	S	S	*	.	S	Bend	trans	-93.4	-23.9	-157.8	-61.8	87.5	0	0	0	115.7	C180 R187	C180-H182 PolarHBondContact O-N 3.19Å; C180-H182 PolarHBondContact O-ND1 3.31Å; H182-R187 PolarHBondContact O-NE 3.07Å
183	C	89.3	Confident	88.2	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.034	36%	0.36	C	S	.	.	S	Bend	trans	-72	158.8	178.9	77	0	0	0	0	112.6	F185 C186 R187 R203 F218	C183-F185 VanDerWaalsContact C-N 3.28Å; C183-F185 PolarHBondContact O-N 2.79Å; C183-C186 CarbonylContact O-C 3.57Å; C183-C186 WeakPolarHBondContact O-CA 3.17Å; C183-C186 WeakPolarHBondContact O-CB 3.37Å; C183-C186 PolarHBondContact O-N 2.88Å; C183-C186 PolarHBondContact SG-N 3.34Å; C183-C186 PolarHBondContact SG-SG 3.1Å; C183-R187 WeakPolarHBondContact O-CG 3.47Å; C183-R187 PolarHBondContact O-N 3.48Å; C183-R203 HydrophobicContact CB-CB 4.42Å; C183-R203 HydrophobicContact CB-CG 4.5Å; C183-R203 PolarHBondContact SG-N 2.84Å; C183-F218 HydrophobicContact CB-CE2 3.92Å
184	D	89.3	Confident	88.3	Confident	58 Å²	58	73 Å²	73	31%	0.31	36%	0.363	S	S	.	.	H	α-helix	trans	-46.1	-45.5	174.6	61.1	-21.6	0	0	0	114	C186 R187 D188 R203	D184-C186 VanDerWaalsContact C-N 3.28Å; D184-C186 PolarHBondContact O-N 2.8Å; D184-R187 PolarHBondContact O-N 3.11Å; D184-D188 PolarHBondContact O-N 3.4Å; D184-R203 VanDerWaalsContact CG-NE 3.31Å; D184-R203 VanDerWaalsContact OD1-CD 3.3Å; D184-R203 WeakPolarHBondContact OD1-CD 3.45Å; D184-R203 IonicContact OD1-CZ 3.86Å; D184-R203 IonicContact OD1-NE 2.77Å; D184-R203 PolarHBondContact OD1-NE 3.35Å; D184-R203 IonicContact OD1-NH2 2.82Å; D184-R203 IonicContact OD2-CZ 2.61Å; D184-R203 IonicContact OD2-NE 3.56Å; D184-R203 PolarHBondContact OD2-NE 2.64Å; D184-R203 VanDerWaalsContact OD2-NE 3.11Å; D184-R203 IonicContact OD2-NH2 3.6Å; D184-R203 PolarHBondContact OD2-NH2 3Å
185	F	91.6	Very high	88.3	Confident	11 Å²	11	76 Å²	76	5%	0.048	38%	0.382	C	S	.	.	H	α-helix	trans	-73.1	-17.5	178.6	-59.5	-18.3	0	0	0	113.5	C183 M189 I198 Q200 K201 R203 Q206 Y215	C183-F185 VanDerWaalsContact C-N 3.28Å; C183-F185 PolarHBondContact O-N 2.79Å; F185-M189 WeakPolarHBondContact O-CG 3.11Å; F185-I198 HydrophobicContact CD1-CG2 3.64Å; F185-I198 HydrophobicContact CE1-CG2 3.69Å; F185-Q200 HydrophobicContact CB-CB 4.28Å; F185-Q200 HydrophobicContact CD1-CB 4.19Å; F185-Q200 HydrophobicContact CD2-CB 3.77Å; F185-Q200 HydrophobicContact CD2-CG 4.48Å; F185-Q200 HydrophobicContact CE1-CB 4.49Å; F185-Q200 HydrophobicContact CE1-CG 4.39Å; F185-Q200 HydrophobicContact CE2-CB 4.1Å; F185-Q200 HydrophobicContact CE2-CG 4.36Å; F185-Q200 HydrophobicContact CG-CB 3.82Å; F185-Q200 HydrophobicContact CZ-CB 4.45Å; F185-Q200 HydrophobicContact CZ-CG 4.32Å; F185-K201 WeakPolarHBondContact CD2-O 3.27Å; F185-R203 HydrophobicContact CD2-CG 3.36Å; F185-R203 HydrophobicContact CE2-CG 3.63Å; F185-R203 HydrophobicContact CG-CG 4.1Å; F185-Q206 VanDerWaalsContact CE2-NE2 3.34Å; F185-Y215 HydrophobicContact CE2-CD1 4.12Å; F185-Y215 AromaticContact CZ-CD1 3.96Å; F185-Y215 HydrophobicContact CZ-CD1 3.96Å; F185-Y215 HydrophobicContact CZ-CE1 4.43Å
186	C	91.2	Very high	88.4	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-83.3	-46	167.4	-68.7	0	0	0	0	110.7	G181 C183 D184 D188 M189 F192 C202	G181-C186 WeakPolarHBondContact O-CB 3.02Å; C183-C186 CarbonylContact O-C 3.57Å; C183-C186 WeakPolarHBondContact O-CA 3.17Å; C183-C186 WeakPolarHBondContact O-CB 3.37Å; C183-C186 PolarHBondContact O-N 2.88Å; C183-C186 PolarHBondContact SG-N 3.34Å; C183-C186 PolarHBondContact SG-SG 3.1Å; D184-C186 VanDerWaalsContact C-N 3.28Å; D184-C186 PolarHBondContact O-N 2.8Å; C186-D188 PolarHBondContact O-N 2.85Å; C186-D188 VanDerWaalsContact O-N 3.09Å; C186-M189 WeakPolarHBondContact O-CB 3.42Å; C186-M189 PolarHBondContact O-N 2.57Å; C186-F192 HydrophobicContact CB-CD2 3.85Å; C186-F192 HydrophobicContact CB-CE2 3.94Å; C186-F192 WeakPolarHBondContact O-CD2 3.24Å; C186-C202 VanDerWaalsContact SG-CB 3.57Å; C186-C202 VanDerWaalsContact SG-SG 3.69Å
187	R	90.7	Very high	88.4	Confident	149 Å²	149	73 Å²	73	56%	0.562	38%	0.378	S	S	*	.	H	α-helix	trans	-59.7	-18.4	176.3	-66.1	-179	-176.7	-152.4	-4.4	113.6	H182 C183 D184 G194	H182-R187 PolarHBondContact O-NE 3.07Å; C183-R187 WeakPolarHBondContact O-CG 3.47Å; C183-R187 PolarHBondContact O-N 3.48Å; D184-R187 PolarHBondContact O-N 3.11Å; R187-G194 WeakPolarHBondContact O-CA 3.3Å
188	D	90.9	Very high	88.5	Confident	7 Å²	7	71.5 Å²	71.5	4%	0.037	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-23.1	169.6	-177	72.1	0	0	0	114.1	D184 C186 G194 N196 K197 I198 R199	D184-D188 PolarHBondContact O-N 3.4Å; C186-D188 PolarHBondContact O-N 2.85Å; C186-D188 VanDerWaalsContact O-N 3.09Å; D188-G194 CarbonylContact O-C 3.57Å; D188-G194 WeakPolarHBondContact O-CA 3.37Å; D188-N196 WeakPolarHBondContact O-CA 3.41Å; D188-N196 PolarHBondContact O-N 3.28Å; D188-N196 PolarHBondContact OD1-N 3.35Å; D188-N196 WeakPolarHBondContact OD2-CA 3.46Å; D188-K197 PolarHBondContact OD1-N 3.25Å; D188-K197 PolarHBondContact OD2-N 3.23Å; D188-I198 HydrophobicContact CB-CB 4.09Å; D188-I198 HydrophobicContact CB-CD1 4.21Å; D188-I198 HydrophobicContact CB-CG1 4.36Å; D188-I198 VanDerWaalsContact CG-N 3.26Å; D188-I198 PolarHBondContact OD1-N 3.35Å; D188-I198 VanDerWaalsContact OD1-N 3.12Å; D188-I198 WeakPolarHBondContact OD2-CA 3.28Å; D188-I198 WeakPolarHBondContact OD2-CB 3.1Å; D188-I198 PolarHBondContact OD2-N 2.82Å; D188-R199 PolarHBondContact OD2-N 3.31Å
189	M	90.8	Very high	88.2	Confident	33 Å²	33	73 Å²	73	16%	0.163	36%	0.364	C	S	.	.	S	Bend	trans	-72.5	136.7	-177.3	-64.9	-178.5	176.3	0	0	112.2	F185 C186 K191 F192 G194 Q200	F185-M189 WeakPolarHBondContact O-CG 3.11Å; C186-M189 WeakPolarHBondContact O-CB 3.42Å; C186-M189 PolarHBondContact O-N 2.57Å; M189-K191 HydrophobicContact CB-CG 4.17Å; M189-K191 PolarHBondContact O-N 3.06Å; M189-K191 VanDerWaalsContact O-N 3.08Å; M189-F192 HydrophobicContact CB-CD2 4.14Å; M189-F192 CarbonylContact O-C 3.56Å; M189-F192 PolarHBondContact O-N 2.89Å; M189-F192 HydrophobicContact SD-CD2 4.4Å; M189-F192 HydrophobicContact SD-CE2 4.27Å; M189-G194 WeakPolarHBondContact O-CA 3.31Å; M189-G194 PolarHBondContact O-N 3.5Å; M189-Q200 WeakPolarHBondContact CE-O 3.48Å
190	K	86.6	Confident	88.1	Confident	165 Å²	165	74.6 Å²	74.6	72%	0.717	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-50.6	-36.7	175.7	-71.6	-160.9	169.7	-162.6	0	114.2	F192 G193 N196	K190-F192 PolarHBondContact O-N 3.34Å; K190-G193 PolarHBondContact O-N 3.19Å; K190-G193 VanDerWaalsContact O-N 3.07Å; K190-N196 HydrophobicContact CG-CB 3.84Å
191	K	86.9	Confident	87.9	Confident	133 Å²	133	77.4 Å²	77.4	58%	0.578	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-69.4	-7.7	179.5	70	174	-178.9	175.4	0	114.9	D179 M189	D179-K191 IonicContact OD2-NZ 3.94Å; D179-K191 PolarHBondContact OD2-NZ 3.04Å; M189-K191 HydrophobicContact CB-CG 4.17Å; M189-K191 PolarHBondContact O-N 3.06Å; M189-K191 VanDerWaalsContact O-N 3.08Å
192	F	88.4	Confident	88.1	Confident	85 Å²	85	76.6 Å²	76.6	37%	0.373	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-121.5	28.2	172.2	-58.7	-62.2	0	0	0	110.6	D179 C186 M189 K190 G194	D179-F192 HydrophobicContact CB-CE2 3.91Å; D179-F192 HydrophobicContact CB-CZ 4.18Å; C186-F192 HydrophobicContact CB-CD2 3.85Å; C186-F192 HydrophobicContact CB-CE2 3.94Å; C186-F192 WeakPolarHBondContact O-CD2 3.24Å; M189-F192 HydrophobicContact CB-CD2 4.14Å; M189-F192 CarbonylContact O-C 3.56Å; M189-F192 PolarHBondContact O-N 2.89Å; M189-F192 HydrophobicContact SD-CD2 4.4Å; M189-F192 HydrophobicContact SD-CE2 4.27Å; K190-F192 PolarHBondContact O-N 3.34Å; F192-G194 VanDerWaalsContact C-N 3.29Å; F192-G194 PolarHBondContact O-N 3.48Å
193	G	86.4	Confident	88.3	Confident	76 Å²	76	71.8 Å²	71.8	78%	0.784	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	3.3	180	0	0	0	0	0	115.8	K190	K190-G193 PolarHBondContact O-N 3.19Å; K190-G193 VanDerWaalsContact O-N 3.07Å
194	G	87.9	Confident	88.2	Confident	9 Å²	9	75.2 Å²	75.2	9%	0.093	36%	0.364	C	S	.	.			trans	-79	153.2	-168.5	0	0	0	0	0	116.6	R187 D188 M189 F192 N196	R187-G194 WeakPolarHBondContact O-CA 3.3Å; D188-G194 CarbonylContact O-C 3.57Å; D188-G194 WeakPolarHBondContact O-CA 3.37Å; M189-G194 WeakPolarHBondContact O-CA 3.31Å; M189-G194 PolarHBondContact O-N 3.5Å; F192-G194 VanDerWaalsContact C-N 3.29Å; F192-G194 PolarHBondContact O-N 3.48Å; G194-N196 PolarHBondContact O-N 2.8Å
195	P	86.6	Confident	88.2	Confident	90 Å²	90	75.1 Å²	75.1	58%	0.584	36%	0.359	S	S	*	.			trans	-73.1	-5.1	-176.4	31.1	-38	0	0	0	115.4	K197	P195-K197 HydrophobicContact CB-CD 4.24Å; P195-K197 HydrophobicContact CB-CG 4.24Å; P195-K197 HydrophobicContact CG-CD 4.45Å; P195-K197 PolarHBondContact O-N 3.27Å
196	N	88.6	Confident	88.1	Confident	47 Å²	47	75.9 Å²	75.9	25%	0.251	36%	0.363	S	S	.	.			trans	55.7	43.6	172.7	-157.7	17.3	0	0	0	114.8	D188 K190 G194 R199	D188-N196 WeakPolarHBondContact O-CA 3.41Å; D188-N196 PolarHBondContact O-N 3.28Å; D188-N196 PolarHBondContact OD1-N 3.35Å; D188-N196 WeakPolarHBondContact OD2-CA 3.46Å; K190-N196 HydrophobicContact CG-CB 3.84Å; G194-N196 PolarHBondContact O-N 2.8Å; N196-R199 WeakPolarHBondContact O-CG 3.2Å; N196-R199 PolarHBondContact O-NE 3.29Å
197	K	86.6	Confident	87.9	Confident	175 Å²	175	76 Å²	76	76%	0.761	36%	0.364	S	S	*	.	S	Bend	trans	-94.9	-33.4	179.6	-66	177.7	179.1	174.8	0	112.1	D188 P195	D188-K197 PolarHBondContact OD1-N 3.25Å; D188-K197 PolarHBondContact OD2-N 3.23Å; P195-K197 HydrophobicContact CB-CD 4.24Å; P195-K197 HydrophobicContact CB-CG 4.24Å; P195-K197 HydrophobicContact CG-CD 4.45Å; P195-K197 PolarHBondContact O-N 3.27Å
198	I	85.4	Confident	87.5	Confident	81 Å²	81	73.4 Å²	73.4	42%	0.415	36%	0.358	S	S	.	.	S	Bend	trans	-88.3	-35.7	-175.2	-58.3	173	0	0	0	111.8	F185 D188 Q200	F185-I198 HydrophobicContact CD1-CG2 3.64Å; F185-I198 HydrophobicContact CE1-CG2 3.69Å; D188-I198 HydrophobicContact CB-CB 4.09Å; D188-I198 HydrophobicContact CB-CD1 4.21Å; D188-I198 HydrophobicContact CB-CG1 4.36Å; D188-I198 VanDerWaalsContact CG-N 3.26Å; D188-I198 PolarHBondContact OD1-N 3.35Å; D188-I198 VanDerWaalsContact OD1-N 3.12Å; D188-I198 WeakPolarHBondContact OD2-CA 3.28Å; D188-I198 WeakPolarHBondContact OD2-CB 3.1Å; D188-I198 PolarHBondContact OD2-N 2.82Å; I198-Q200 VanDerWaalsContact C-N 3.27Å; I198-Q200 HydrophobicContact CG2-CB 4.45Å; I198-Q200 HydrophobicContact CG2-CG 3.96Å; I198-Q200 PolarHBondContact O-N 2.79Å; I198-Q200 VanDerWaalsContact O-N 3.14Å; I198-Q200 PolarHBondContact O-NE2 3.01Å
199	R	84.3	Confident	87	Confident	186 Å²	186	79 Å²	79	70%	0.702	39%	0.387	S	S	*	.			trans	55.3	31.4	168.8	-54.6	-172.8	175.5	-170.8	0.4	115.5	D188 N196	D188-R199 PolarHBondContact OD2-N 3.31Å; N196-R199 WeakPolarHBondContact O-CG 3.2Å; N196-R199 PolarHBondContact O-NE 3.29Å
200	Q	86.8	Confident	86.4	Confident	59 Å²	59	84.6 Å²	84.6	28%	0.276	41%	0.407	S	S	.	.			trans	-96.4	161.4	175.3	-61.7	-44	-63.9	0	0	112	F185 M189 I198	F185-Q200 HydrophobicContact CB-CB 4.28Å; F185-Q200 HydrophobicContact CD1-CB 4.19Å; F185-Q200 HydrophobicContact CD2-CB 3.77Å; F185-Q200 HydrophobicContact CD2-CG 4.48Å; F185-Q200 HydrophobicContact CE1-CB 4.49Å; F185-Q200 HydrophobicContact CE1-CG 4.39Å; F185-Q200 HydrophobicContact CE2-CB 4.1Å; F185-Q200 HydrophobicContact CE2-CG 4.36Å; F185-Q200 HydrophobicContact CG-CB 3.82Å; F185-Q200 HydrophobicContact CZ-CB 4.45Å; F185-Q200 HydrophobicContact CZ-CG 4.32Å; M189-Q200 WeakPolarHBondContact CE-O 3.48Å; I198-Q200 VanDerWaalsContact C-N 3.27Å; I198-Q200 HydrophobicContact CG2-CB 4.45Å; I198-Q200 HydrophobicContact CG2-CG 3.96Å; I198-Q200 PolarHBondContact O-N 2.79Å; I198-Q200 VanDerWaalsContact O-N 3.14Å; I198-Q200 PolarHBondContact O-NE2 3.01Å
201	K	85.7	Confident	85.8	Confident	101 Å²	101	77.7 Å²	77.7	44%	0.439	38%	0.38	S	S	.	.			trans	-68.3	148.4	164.8	-70.9	-172	174.4	-169.1	0	109.8	M167 F185 R203 Q206	M167-K201 PolarHBondContact SD-NZ 3Å; F185-K201 WeakPolarHBondContact CD2-O 3.27Å; K201-R203 PolarHBondContact O-N 2.63Å; K201-Q206 PolarHBondContact O-NE2 3.14Å
202	C	90.5	Very high	85	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	38%	0.384	C	S	.	.			trans	-37	135.1	167.8	168.1	0	0	0	0	112	D179 C180 C186 L204 R205 Q206	D179-C202 HydrophobicContact CB-CB 3.92Å; D179-C202 WeakPolarHBondContact OD1-CB 3.31Å; C180-C202 PolarHBondContact N-SG 3.27Å; C180-C202 VanDerWaalsContact N-SG 3.44Å; C186-C202 VanDerWaalsContact SG-CB 3.57Å; C186-C202 VanDerWaalsContact SG-SG 3.69Å; C202-L204 VanDerWaalsContact C-N 3.28Å; C202-L204 PolarHBondContact O-N 3.4Å; C202-L204 PolarHBondContact SG-N 2.92Å; C202-L204 VanDerWaalsContact SG-N 3.45Å; C202-R205 HydrophobicContact CB-CB 4.21Å; C202-R205 HydrophobicContact CB-CG 3.93Å; C202-R205 WeakPolarHBondContact O-CA 3.23Å; C202-R205 PolarHBondContact O-N 3.11Å; C202-Q206 WeakPolarHBondContact O-CG 3.5Å; C202-Q206 PolarHBondContact O-N 3.32Å
203	R	89.2	Confident	83.7	Confident	38 Å²	38	83.2 Å²	83.2	14%	0.143	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-56.1	-41.1	-179.1	-72.6	-168.6	178.2	-112	12.6	112.7	C183 D184 F185 K201 R205 Q206 Y215 Y217 F218	C183-R203 HydrophobicContact CB-CB 4.42Å; C183-R203 HydrophobicContact CB-CG 4.5Å; C183-R203 PolarHBondContact SG-N 2.84Å; D184-R203 VanDerWaalsContact CG-NE 3.31Å; D184-R203 VanDerWaalsContact OD1-CD 3.3Å; D184-R203 WeakPolarHBondContact OD1-CD 3.45Å; D184-R203 IonicContact OD1-CZ 3.86Å; D184-R203 IonicContact OD1-NE 2.77Å; D184-R203 PolarHBondContact OD1-NE 3.35Å; D184-R203 IonicContact OD1-NH2 2.82Å; D184-R203 IonicContact OD2-CZ 2.61Å; D184-R203 IonicContact OD2-NE 3.56Å; D184-R203 PolarHBondContact OD2-NE 2.64Å; D184-R203 VanDerWaalsContact OD2-NE 3.11Å; D184-R203 IonicContact OD2-NH2 3.6Å; D184-R203 PolarHBondContact OD2-NH2 3Å; F185-R203 HydrophobicContact CD2-CG 3.36Å; F185-R203 HydrophobicContact CE2-CG 3.63Å; F185-R203 HydrophobicContact CG-CG 4.1Å; K201-R203 PolarHBondContact O-N 2.63Å; R203-R205 PolarHBondContact O-N 3.03Å; R203-R205 VanDerWaalsContact O-N 3.08Å; R203-Q206 PolarHBondContact O-N 2.94Å; R203-Q206 VanDerWaalsContact O-N 3.16Å; R203-Y215 PolarHBondContact NH1-O 2.83Å; R203-Y217 PolarHBondContact NH1-O 3.4Å; R203-F218 HydrophobicContact CB-CD2 4.46Å
204	L	87	Confident	82.5	Confident	77 Å²	77	83.5 Å²	83.5	40%	0.403	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-69.3	-3.4	177.3	-52.4	-170.3	0	0	0	114	A173 C180 C202	A173-L204 WeakPolarHBondContact CA-O 3.47Å; A173-L204 WeakPolarHBondContact CB-O 3.31Å; C180-L204 HydrophobicContact CB-CD1 3.8Å; C180-L204 HydrophobicContact CB-CG 4.35Å; C202-L204 VanDerWaalsContact C-N 3.28Å; C202-L204 PolarHBondContact O-N 3.4Å; C202-L204 PolarHBondContact SG-N 2.92Å; C202-L204 VanDerWaalsContact SG-N 3.45Å
205	R	90.2	Very high	81.2	Confident	55 Å²	55	86 Å²	86	21%	0.208	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-114.7	12	176	-56.6	179	78.3	-166.7	5.2	113.7	A173 R176 T177 E178 D179 C202 R203	A173-R205 CarbonylContact O-C 3.57Å; A173-R205 VanDerWaalsContact O-CA 3.26Å; A173-R205 WeakPolarHBondContact O-CA 3.48Å; R176-R205 HydrophobicContact CB-CG 4.02Å; R176-R205 PolarHBondContact O-NE 3.39Å; R176-R205 PolarHBondContact O-NH2 3.33Å; T177-R205 PolarHBondContact O-NH2 3.05Å; E178-R205 VanDerWaalsContact O-CD 3.23Å; E178-R205 WeakPolarHBondContact O-CD 3.27Å; D179-R205 WeakPolarHBondContact OD1-CD 3.28Å; D179-R205 IonicContact OD1-CZ 3.81Å; D179-R205 IonicContact OD1-NE 2.72Å; D179-R205 IonicContact OD1-NH1 3.55Å; D179-R205 PolarHBondContact OD1-NH1 3.2Å; D179-R205 IonicContact OD2-NH1 2.79Å; D179-R205 PolarHBondContact OD2-NH1 3.13Å; C202-R205 HydrophobicContact CB-CB 4.21Å; C202-R205 HydrophobicContact CB-CG 3.93Å; C202-R205 WeakPolarHBondContact O-CA 3.23Å; C202-R205 PolarHBondContact O-N 3.11Å; R203-R205 PolarHBondContact O-N 3.03Å; R203-R205 VanDerWaalsContact O-N 3.08Å
206	Q	88.6	Confident	79.6	Confident	28 Å²	28	86.8 Å²	86.8	13%	0.131	39%	0.393	C	S	.	.	S	Bend	trans	-91.9	126.9	174.3	-57.8	-152.9	19.1	0	0	109.6	A173 F185 K201 C202 R203 Q208 A211	A173-Q206 WeakPolarHBondContact CB-O 3.41Å; F185-Q206 VanDerWaalsContact CE2-NE2 3.34Å; K201-Q206 PolarHBondContact O-NE2 3.14Å; C202-Q206 WeakPolarHBondContact O-CG 3.5Å; C202-Q206 PolarHBondContact O-N 3.32Å; R203-Q206 PolarHBondContact O-N 2.94Å; R203-Q206 VanDerWaalsContact O-N 3.16Å; Q206-Q208 PolarHBondContact O-N 3.09Å; Q206-Q208 VanDerWaalsContact O-N 3.13Å; Q206-A211 HydrophobicContact CB-CB 4.09Å
207	C	87.9	Confident	77.7	Confident	2 Å²	2	92.9 Å²	92.9	1%	0.014	41%	0.413	C	S	.	.			trans	-58.6	116.6	-172.8	-179.3	0	0	0	0	111.7	R166 C168 C174 L209 R210 A211	R166-C207 VanDerWaalsContact O-CB 3.25Å; R166-C207 WeakPolarHBondContact O-CB 3.36Å; C168-C207 PolarHBondContact N-SG 3.48Å; C168-C207 VanDerWaalsContact N-SG 3.37Å; C168-C207 PolarHBondContact SG-SG 3.31Å; C174-C207 VanDerWaalsContact SG-CB 3.56Å; C174-C207 VanDerWaalsContact SG-SG 3.63Å; C207-L209 PolarHBondContact O-N 3.49Å; C207-L209 VanDerWaalsContact O-N 3.1Å; C207-R210 HydrophobicContact CB-CB 4.24Å; C207-R210 PolarHBondContact O-N 2.68Å; C207-R210 PolarHBondContact SG-N 3.41Å; C207-A211 WeakPolarHBondContact O-CB 3.1Å; C207-A211 PolarHBondContact O-N 2.76Å
208	Q	83.2	Confident	75.7	Confident	94 Å²	94	88.4 Å²	88.4	44%	0.439	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-35.3	-178.4	-70	154.9	-26.7	0	0	112.1	A173 Q206 K216	A173-Q208 HydrophobicContact CB-CG 4.36Å; Q206-Q208 PolarHBondContact O-N 3.09Å; Q206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-K216 VanDerWaalsContact O-CE 3.25Å; Q208-K216 WeakPolarHBondContact O-CE 3.49Å; Q208-K216 PolarHBondContact O-NZ 3.22Å
209	L	79.3	Confident	73.7	Confident	126 Å²	126	88.2 Å²	88.2	66%	0.66	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-45.6	178.3	-55.6	-179.4	0	0	0	113.4	C168 C207	C168-L209 HydrophobicContact CB-CD1 4.25Å; C207-L209 PolarHBondContact O-N 3.49Å; C207-L209 VanDerWaalsContact O-N 3.1Å
210	R	77.8	Confident	71.6	Confident	150 Å²	150	84.9 Å²	84.9	57%	0.566	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	4.9	-167.9	-60.4	-173.6	-179.3	-118.4	3.3	115.7	C207	C207-R210 HydrophobicContact CB-CB 4.24Å; C207-R210 PolarHBondContact O-N 2.68Å; C207-R210 PolarHBondContact SG-N 3.41Å
211	A	75.4	Confident	69.6	Low	19 Å²	19	86.7 Å²	86.7	16%	0.157	42%	0.422	C	S	.	.	S	Bend	trans	-84.3	150.4	170.1	0	0	0	0	0	111.9	Q206 C207 K216	Q206-A211 HydrophobicContact CB-CB 4.09Å; C207-A211 WeakPolarHBondContact O-CB 3.1Å; C207-A211 PolarHBondContact O-N 2.76Å; A211-K216 WeakPolarHBondContact O-CE 3.36Å
212	R	69.1	Low	67.2	Low	177 Å²	177	86.8 Å²	86.8	67%	0.668	43%	0.427	S	S	*	.			trans	-62.4	140.4	170.8	-72.9	179.2	162.6	-173.1	-8.5	110.4	S214 Y215	R212-S214 PolarHBondContact O-N 2.56Å; R212-S214 VanDerWaalsContact O-N 3.17Å; R212-Y215 HydrophobicContact CB-CD2 3.87Å; R212-Y215 HydrophobicContact CB-CE2 4.02Å; R212-Y215 HydrophobicContact CG-CE2 4.49Å; R212-Y215 PolarHBondContact O-N 3.09Å
213	E	62.3	Low	64.5	Low	157 Å²	157	92 Å²	92	73%	0.734	46%	0.464	S	S	*	.	H	α-helix	trans	-55.7	-34.3	-179.8	-63.6	178.9	119	0	0	113.3	Y215 K216	E213-Y215 PolarHBondContact O-N 3.13Å; E213-K216 HydrophobicContact CG-CD 4.47Å; E213-K216 PolarHBondContact O-N 3.38Å
214	S	59.5	Low	61.9	Low	82 Å²	82	96 Å²	96	57%	0.573	50%	0.495	S	S	*	.	H	α-helix	trans	-54.9	-17.1	173.7	62.6	0	0	0	0	115.1	R212	R212-S214 PolarHBondContact O-N 2.56Å; R212-S214 VanDerWaalsContact O-N 3.17Å
215	Y	60.8	Low	59.3	Low	62 Å²	62	99.1 Å²	99.1	24%	0.243	52%	0.516	C	S	.	.	H	α-helix	trans	-107.9	-14.9	175.5	-51.3	-53.4	0	0	0	113.5	F185 R203 R212 E213	F185-Y215 HydrophobicContact CE2-CD1 4.12Å; F185-Y215 AromaticContact CZ-CD1 3.96Å; F185-Y215 HydrophobicContact CZ-CD1 3.96Å; F185-Y215 HydrophobicContact CZ-CE1 4.43Å; R203-Y215 PolarHBondContact NH1-O 2.83Å; R212-Y215 HydrophobicContact CB-CD2 3.87Å; R212-Y215 HydrophobicContact CB-CE2 4.02Å; R212-Y215 HydrophobicContact CG-CE2 4.49Å; R212-Y215 PolarHBondContact O-N 3.09Å; E213-Y215 PolarHBondContact O-N 3.13Å
216	K	53.7	Low	56.5	Low	107 Å²	107	102.2 Å²	102.2	47%	0.465	54%	0.542	S	S	.	.	H	α-helix	trans	-70.4	-32.6	178.4	-60.3	-172.4	-169	-167	0	111.7	Q208 A211 E213 F218	Q208-K216 VanDerWaalsContact O-CE 3.25Å; Q208-K216 WeakPolarHBondContact O-CE 3.49Å; Q208-K216 PolarHBondContact O-NZ 3.22Å; A211-K216 WeakPolarHBondContact O-CE 3.36Å; E213-K216 HydrophobicContact CG-CD 4.47Å; E213-K216 PolarHBondContact O-N 3.38Å; K216-F218 PolarHBondContact O-N 2.72Å
217	Y	49.7	Very low	54	Low	175 Å²	175	107 Å²	107	69%	0.686	58%	0.576	S	S	*	*			trans	-73.9	116	174.1	-116.4	-92.5	0	0	0	111.3	R203	R203-Y217 PolarHBondContact NH1-O 3.4Å
218	F	43.8	Very low	51.3	Low	80 Å²	80	112.3 Å²	112.3	35%	0.351	61%	0.613	S	S	.	*			trans	-91.6	124.6	167.3	-171.5	-86.6	0	0	0	108.4	C183 R203 K216 S220 L222	C183-F218 HydrophobicContact CB-CE2 3.92Å; R203-F218 HydrophobicContact CB-CD2 4.46Å; K216-F218 PolarHBondContact O-N 2.72Å; F218-S220 PolarHBondContact O-N 3.47Å; F218-L222 HydrophobicContact CZ-CD1 4.47Å
219	P	43.4	Very low	48.7	Very low	78 Å²	78	116.9 Å²	116.9	51%	0.506	63%	0.634	S	S	.	*			trans	-72.5	109.1	169.2	29	-30.6	0	0	0	108.5	S221	P219-S221 PolarHBondContact O-N 2.68Å
220	S	39.3	Very low	46.3	Very low	115 Å²	115	115.6 Å²	115.6	80%	0.804	64%	0.636	S	S	*	*			trans	-74.6	59.8	-179.9	-59.8	0	0	0	0	112.5	F218	F218-S220 PolarHBondContact O-N 3.47Å
221	S	44.7	Very low	44.2	Very low	97 Å²	97	116 Å²	116	68%	0.678	65%	0.648	S	S	*	*			trans	-105.4	61.3	174	64.7	0	0	0	0	110.5	P219	P219-S221 PolarHBondContact O-N 2.68Å
222	L	35.8	Very low	42.1	Very low	103 Å²	103	121.2 Å²	121.2	54%	0.539	68%	0.68	S	S	.	*			trans	-132.7	89.9	166.6	-72.7	177.3	0	0	0	107.8	F218	F218-L222 HydrophobicContact CZ-CD1 4.47Å
223	S	33.6	Very low	40.3	Very low	110 Å²	110	124 Å²	124	77%	0.769	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-61.8	131.5	167.6	-50.7	0	0	0	0	109.1	V225	S223-V225 PolarHBondContact O-N 2.73Å
224	P	35.7	Very low	39	Very low	122 Å²	122	121.5 Å²	121.5	79%	0.792	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-62.8	129.9	169.9	-20.4	32.8	0	0	0	110
225	V	32.5	Very low	37.5	Very low	142 Å²	142	128.9 Å²	128.9	86%	0.861	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-100.7	127.4	163.7	-174.6	0	0	0	0	106.5	S223	S223-V225 PolarHBondContact O-N 2.73Å
226	T	31.5	Very low	36	Very low	120 Å²	120	136.1 Å²	136.1	74%	0.736	73%	0.731	S	S	*	*			trans	-132.4	147.8	173.7	50.4	0	0	0	0	110.2
227	P	36.3	Very low	34.9	Very low	130 Å²	130	136.8 Å²	136.8	84%	0.844	75%	0.745	S	S	*	*			trans	-86.8	172.5	-163.3	-9.4	29.8	0	0	0	115.3
228	S	30.1	Very low	33.8	Very low	113 Å²	113	134.9 Å²	134.9	79%	0.79	75%	0.747	S	S	*	*			trans	-59.1	169.9	172.8	-38.4	0	0	0	0	113.4
229	E	29.2	Very low	33.4	Very low	189 Å²	189	136.3 Å²	136.3	88%	0.883	76%	0.764	S	S	*	*			cis	-130.2	-164	17.7	-66.8	-167.5	65.3	0	0	111.5
230	S	28.8	Very low	32.7	Very low	100 Å²	100	138.4 Å²	138.4	70%	0.699	78%	0.776	S	S	*	*			cis	-154.7	-150.2	11.8	70.6	0	0	0	0	113.6
231	L	32.5	Very low	32.1	Very low	158 Å²	158	140.4 Å²	140.4	83%	0.827	77%	0.772	S	S	*	*			trans	-134.5	159.4	-176.1	-64.9	173.9	0	0	0	111.2
232	P	32	Very low	31.3	Very low	129 Å²	129	143.9 Å²	143.9	84%	0.838	78%	0.777	S	S	*	*				-142.9	167.2	97	34.9	-18.5	0	0	0	116.4
233	R	30.6	Very low	30.8	Very low	234 Å²	234	147.5 Å²	147.5	88%	0.883	79%	0.792	S	S	*	*			trans	-86.9	165.2	173.9	-128.7	-172.2	175	-168	1.7	110.7
234	P	36.3	Very low	31	Very low	105 Å²	105	147.6 Å²	147.6	68%	0.682	79%	0.79	S	S	*	*				-162.6	171.6	67.9	43.4	-21.4	0	0	0	121.1
235	R	27.3	Very low	30.8	Very low	238 Å²	238	149.3 Å²	149.3	90%	0.898	79%	0.787	S	S	*	*			trans	77.4	172	147.6	-77.2	168.6	-158.4	-81.3	0.1	122.3
236	R	30.3	Very low	30.9	Very low	214 Å²	214	148.8 Å²	148.8	81%	0.808	79%	0.787	S	S	*	*			trans	-152.4	148.8	-156.8	-179.2	-135.4	-96.3	-172	-7.9	110.8
237	P	30.4	Very low	30.7	Very low	120 Å²	120	147.1 Å²	147.1	78%	0.779	78%	0.78	S	S	*	*			trans	-113.5	177.6	160	6.5	16.4	0	0	0	115.5
238	L	24.8	Very low	30.4	Very low	136 Å²	136	149 Å²	149	71%	0.712	78%	0.778	S	S	*	*			trans	-142.8	177.3	177.6	-126.3	76.5	0	0	0	108.2
239	P	37.1	Very low	30.4	Very low	110 Å²	110	151.8 Å²	151.8	71%	0.714	78%	0.775	S	S	*	*			cis	-128.6	-140.1	41	25.8	2.2	0	0	0	112.5
240	T	27.4	Very low	30.2	Very low	122 Å²	122	150.3 Å²	150.3	75%	0.748	77%	0.773	S	S	*	*			cis	-151.5	-134.6	12.5	-32	0	0	0	0	114
241	Q	27.1	Very low	30.1	Very low	156 Å²	156	149 Å²	149	73%	0.729	78%	0.775	S	S	*	*			trans	-148.6	-178.4	-167.4	-56.4	-175.4	33.1	0	0	108.7
242	Q	27.1	Very low	29.8	Very low	170 Å²	170	152.1 Å²	152.1	79%	0.794	78%	0.776	S	S	*	*			cis	-164.1	169.9	26.2	-151.2	159.4	64.9	0	0	112.9
243	Q	26.6	Very low	29.6	Very low	179 Å²	179	152 Å²	152	84%	0.836	77%	0.767	S	S	*	*			trans	-104.6	-176.4	174.2	-110.2	-174.4	4.4	0	0	110.6
244	P	38.4	Very low	29.5	Very low	113 Å²	113	150.3 Å²	150.3	73%	0.734	76%	0.76	S	S	*	*			cis	-140	-165.6	20.1	43	-22.2	0	0	0	116.7
245	Q	29.8	Very low	29.1	Very low	158 Å²	158	150.8 Å²	150.8	74%	0.738	75%	0.754	S	S	*	*			trans	-87.7	177.8	169.5	-64.3	-160.5	-3.7	0	0	113.4	S247	Q245-S247 PolarHBondContact OE1-OG 3.34Å
246	P	34.6	Very low	29.1	Very low	130 Å²	130	145.9 Å²	145.9	84%	0.844	75%	0.745	S	S	*	*				-140.5	171.5	95.6	39.7	-26.6	0	0	0	115.7
247	S	27.5	Very low	29.1	Very low	85 Å²	85	144.5 Å²	144.5	59%	0.594	75%	0.748	S	S	*	*			trans	-106.3	162.3	-174.5	-22.4	0	0	0	0	113.5	Q245	Q245-S247 PolarHBondContact OE1-OG 3.34Å
248	Q	30.8	Very low	28.9	Very low	171 Å²	171	141.9 Å²	141.9	80%	0.799	74%	0.743	S	S	*	*				178.3	132.9	128.5	-99.9	170.3	95.2	0	0	118.1
249	K	29.4	Very low	29	Very low	170 Å²	170	139.6 Å²	139.6	74%	0.739	74%	0.743	S	S	*	*			trans	52.1	110.9	136.8	-71.3	179.4	176.1	175	0	125.2
250	L	25.8	Very low	28.5	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	75%	0.751	S	S	*	*				76.2	119.3	100.3	-138.8	165.7	0	0	0	122.1
251	G	26.4	Very low	28.5	Very low	72 Å²	72	139.3 Å²	139.3	74%	0.742	75%	0.748	S	S	*	*			trans	147.1	123.7	161.8	0	0	0	0	0	111.7
252	R	25.9	Very low	28.4	Very low	224 Å²	224	137.1 Å²	137.1	85%	0.845	75%	0.749	S	S	*	*			cis	120.4	135.4	1.2	-162.8	-157.2	-176.6	-165.4	2.2	111.2
253	I	27.9	Very low	28.4	Very low	126 Å²	126	134.8 Å²	134.8	65%	0.646	75%	0.752	S	S	*	*			trans	109.9	107.7	158.9	-61.1	-177	0	0	0	118
254	R	28	Very low	28.5	Very low	198 Å²	198	130.2 Å²	130.2	75%	0.747	74%	0.744	S	S	*	*			trans	55.4	157.3	131.3	-60.6	174.5	120.2	-151.6	-24.2	120.8
255	E	27.7	Very low	27.9	Very low	116 Å²	116	131 Å²	131	54%	0.542	75%	0.747	S	S	.	*			cis	-166.2	173.8	-9.1	-113.8	159.3	-179.2	0	0	111.6
256	D	27.1	Very low	27.7	Very low	135 Å²	135	133.2 Å²	133.2	72%	0.722	75%	0.754	S	S	*	*			trans	61.8	160.2	150.4	-68.3	4.7	0	0	0	121.6
257	E	30.3	Very low	27.1	Very low	185 Å²	185	135.4 Å²	135.4	86%	0.864	75%	0.753	S	S	*	*			cis	-165.7	175	-40	-141.2	-170.3	-164	0	0	108.9
258	G	27.3	Very low	27.7	Very low	65 Å²	65	136 Å²	136	67%	0.67	76%	0.755	S	S	*	*			trans	101	83.3	145.8	0	0	0	0	0	123.2
259	A	27	Very low	28.6	Very low	87 Å²	87	133 Å²	133	72%	0.719	75%	0.751	S	S	*	*				64.5	142.9	116.3	0	0	0	0	0	126
260	V	27.2	Very low	28.3	Very low	144 Å²	144	133.4 Å²	133.4	87%	0.873	76%	0.755	S	S	*	*			trans	60.3	156	147.9	-64.7	0	0	0	0	122.7
261	A	25.9	Very low	28.5	Very low	83 Å²	83	129.5 Å²	129.5	69%	0.686	75%	0.746	S	S	*	*			cis	-172.8	158.6	-31.2	0	0	0	0	0	113.1
262	S	26.3	Very low	28.5	Very low	109 Å²	109	132.9 Å²	132.9	76%	0.762	75%	0.752	S	S	*	*			trans	69.5	130.2	147.2	-61.3	0	0	0	0	124.8
263	S	26.5	Very low	28.5	Very low	121 Å²	121	126.4 Å²	126.4	85%	0.846	75%	0.746	S	S	*	*			trans	73.4	157.1	140.8	-61.1	0	0	0	0	121.7
264	A	27.7	Very low	28.3	Very low	83 Å²	83	126.8 Å²	126.8	69%	0.686	76%	0.755	S	S	*	*			cis	-177.7	171.5	-31.8	0	0	0	0	0	111.6
265	V	26.5	Very low	28.9	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	75%	0.753	S	S	*	*			trans	91.9	124.9	152.4	-170.3	0	0	0	0	121.6
266	K	25.1	Very low	28.9	Very low	206 Å²	206	125.5 Å²	125.5	90%	0.896	77%	0.767	S	S	*	*			trans	110.6	152.5	144.6	-98.8	167.3	-172.6	177.5	0	123.5
267	E	23.3	Very low	29.3	Very low	176 Å²	176	124.7 Å²	124.7	82%	0.822	77%	0.769	S	S	*	*			trans	-149.4	-167.5	-161.8	-132.5	-152.9	168.6	0	0	106.8
268	P	39.2	Very low	29.2	Very low	97 Å²	97	124.1 Å²	124.1	63%	0.63	77%	0.771	S	S	*	*			cis	-122	-139.5	-12.4	40.8	-20.5	0	0	0	109.3
269	P	50.1	Low	29.2	Very low	109 Å²	109	126.1 Å²	126.1	71%	0.708	78%	0.775	S	S	*	*			cis	-126.2	-155.5	-20	30.4	-3.6	0	0	0	111.2
270	E	23.5	Very low	29.3	Very low	177 Å²	177	130 Å²	130	83%	0.827	78%	0.783	S	S	*	*			cis	-145.2	149.2	14.1	-74.6	-165.4	75.5	0	0	114.8
271	A	29.4	Very low	29.4	Very low	78 Å²	78	131.5 Å²	131.5	65%	0.645	78%	0.78	S	S	*	*			trans	16.2	119.5	139.5	0	0	0	0	0	120.8
272	T	25.8	Very low	29.7	Very low	142 Å²	142	135 Å²	135	87%	0.871	79%	0.788	S	S	*	*				178.7	161.8	76.4	30.3	0	0	0	0	110.2
273	A	26	Very low	30	Very low	88 Å²	88	137.8 Å²	137.8	73%	0.727	79%	0.793	S	S	*	*			cis	-154.5	-142.4	-10.6	0	0	0	0	0	110
274	T	24.3	Very low	30.4	Very low	134 Å²	134	137.8 Å²	137.8	82%	0.822	79%	0.79	S	S	*	*			trans	-153.8	174.9	-164.1	29.7	0	0	0	0	112.4
275	P	39.9	Very low	30.7	Very low	109 Å²	109	141.8 Å²	141.8	71%	0.708	80%	0.799	S	S	*	*			cis	-135.7	166.2	2	28.5	-5.4	0	0	0	118.8
276	E	28.2	Very low	31.4	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	79%	0.789	S	S	*	*			trans	63.9	157.7	148.2	-79.4	-162.9	165.4	0	0	123.5
277	P	36.3	Very low	32.1	Very low	118 Å²	118	135.6 Å²	135.6	77%	0.766	78%	0.777	S	S	*	*			cis	-114.1	175.7	-9.6	38.3	-25.3	0	0	0	114
278	L	27.2	Very low	33	Very low	173 Å²	173	133.3 Å²	133.3	91%	0.906	77%	0.771	S	S	*	*			trans	-91.3	155.1	-158.5	-69.3	161.7	0	0	0	117
279	S	28.3	Very low	33.2	Very low	107 Å²	107	135.2 Å²	135.2	75%	0.748	78%	0.775	S	S	*	*			trans	-96.1	154.5	161.4	51	0	0	0	0	111.4
280	D	29.4	Very low	32.8	Very low	167 Å²	167	138.6 Å²	138.6	89%	0.893	78%	0.775	S	S	*	*			trans	-107.4	79	-173.4	-162.1	23.4	0	0	0	110.5
281	E	29.1	Very low	33.6	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.822	77%	0.768	S	S	*	*			trans	-140.8	93.4	-179.6	-82.2	-79	116.2	0	0	109.3
282	D	31.4	Very low	34.1	Very low	158 Å²	158	140 Å²	140	85%	0.845	77%	0.772	S	S	*	*			trans	-158.7	78	170.7	-129.7	-21.5	0	0	0	112.6
283	L	33	Very low	34.7	Very low	167 Å²	167	142.4 Å²	142.4	87%	0.874	77%	0.771	S	S	*	*			trans	-143.8	112.6	158.9	-88.5	-175.7	0	0	0	109.8
284	P	34.7	Very low	35.4	Very low	120 Å²	120	142.5 Å²	142.5	78%	0.779	77%	0.766	S	S	*	*			trans	-76.2	135.7	-178.3	30.1	-34.2	0	0	0	111.7
285	L	34.2	Very low	36.2	Very low	168 Å²	168	139.9 Å²	139.9	88%	0.88	76%	0.757	S	S	*	*			trans	-126.1	136.2	163.5	-74	175.7	0	0	0	109.5
286	D	40.6	Very low	35.7	Very low	105 Å²	105	138.5 Å²	138.5	56%	0.561	76%	0.763	S	S	*	*			trans	-70	119.6	-168.1	-164.8	-19.5	0	0	0	112.1	D288	D286-D288 PolarHBondContact O-N 2.76Å
287	P	41	Very low	35.9	Very low	100 Å²	100	134.1 Å²	134.1	65%	0.649	76%	0.757	S	S	*	*	S	Bend	trans	-60.7	-37.6	-175.9	-26.5	36	0	0	0	114.9	L289 Y290	P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 2.79Å; P287-Y290 PolarHBondContact O-N 3.21Å
288	D	42.5	Very low	35.4	Very low	128 Å²	128	138.5 Å²	138.5	68%	0.684	77%	0.765	S	S	*	*	H	α-helix	trans	-69.8	-30.2	-169.1	-71.3	-17	0	0	0	111.9	D286 Y290 Q291	D286-D288 PolarHBondContact O-N 2.76Å; D288-Y290 VanDerWaalsContact C-N 3.27Å; D288-Y290 PolarHBondContact O-N 3.37Å; D288-Q291 PolarHBondContact O-N 3.04Å
289	L	42	Very low	35.7	Very low	137 Å²	137	137.7 Å²	137.7	72%	0.717	76%	0.761	S	S	*	*	H	α-helix	trans	-72.3	-16	-179.1	-119.7	165.8	0	0	0	114	P287	P287-L289 VanDerWaalsContact C-N 3.3Å; P287-L289 PolarHBondContact O-N 2.79Å
290	Y	42.4	Very low	36.1	Very low	179 Å²	179	139.2 Å²	139.2	70%	0.702	76%	0.761	S	S	*	*	H	α-helix	trans	-83.2	-27.6	174.8	-174.3	-108.1	0	0	0	112.4	P287 D288	P287-Y290 PolarHBondContact O-N 3.21Å; D288-Y290 VanDerWaalsContact C-N 3.27Å; D288-Y290 PolarHBondContact O-N 3.37Å
291	Q	40.6	Very low	36.5	Very low	148 Å²	148	139 Å²	139	69%	0.692	75%	0.754	S	S	*	*	H	α-helix	trans	-76.2	-40.3	-171.4	-164.5	139.5	-15.7	0	0	112.4	D288 F293 C294	D288-Q291 PolarHBondContact O-N 3.04Å; Q291-F293 VanDerWaalsContact C-N 3.28Å; Q291-F293 PolarHBondContact O-N 3.11Å; Q291-C294 PolarHBondContact O-N 2.95Å; Q291-C294 VanDerWaalsContact O-N 3.16Å
292	D	38.8	Very low	36.8	Very low	137 Å²	137	134.4 Å²	134.4	73%	0.733	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-62.6	-33	174.3	-85.1	-6.6	0	0	0	112.8	C294 A295	D292-C294 PolarHBondContact O-N 3.46Å; D292-A295 PolarHBondContact O-N 2.82Å
293	F	37.9	Very low	36.9	Very low	192 Å²	192	135 Å²	135	84%	0.842	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-71.1	-10.2	179	-147.9	-91.6	0	0	0	113.4	Q291	Q291-F293 VanDerWaalsContact C-N 3.28Å; Q291-F293 PolarHBondContact O-N 3.11Å
294	C	41.3	Very low	37	Very low	91 Å²	91	132.6 Å²	132.6	62%	0.615	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-100.3	-8.5	175.9	-72.1	0	0	0	0	114.5	Q291 D292	Q291-C294 PolarHBondContact O-N 2.95Å; Q291-C294 VanDerWaalsContact O-N 3.16Å; D292-C294 PolarHBondContact O-N 3.46Å
295	A	40.5	Very low	36.6	Very low	79 Å²	79	137.3 Å²	137.3	65%	0.653	75%	0.753	S	S	*	*			trans	-90	-8.2	-168.4	0	0	0	0	0	115.8	D292 A297	D292-A295 PolarHBondContact O-N 2.82Å; A295-A297 PolarHBondContact O-N 3.1Å
296	G	30.6	Very low	36.2	Very low	79 Å²	79	136.9 Å²	136.9	81%	0.814	75%	0.748	S	S	*	*			trans	-93.2	55.4	-165.6	0	0	0	0	0	117.6
297	A	31.5	Very low	35.6	Very low	88 Å²	88	135.6 Å²	135.6	73%	0.727	75%	0.747	S	S	*	*	S	Bend	trans	-159.5	41.2	173.3	0	0	0	0	0	116.7	A295	A295-A297 PolarHBondContact O-N 3.1Å
298	F	27.1	Very low	35	Very low	210 Å²	210	138.2 Å²	138.2	92%	0.921	76%	0.756	S	S	*	*			trans	-138.7	129.2	163.3	-78.6	-79.4	0	0	0	110.3
299	D	32.2	Very low	34.4	Very low	156 Å²	156	138.1 Å²	138.1	83%	0.834	76%	0.76	S	S	*	*			trans	-98.6	143.4	164.2	51.2	-23.2	0	0	0	110.9	H301	D299-H301 PolarHBondContact O-N 3.38Å
300	D	36.8	Very low	33.8	Very low	138 Å²	138	140.8 Å²	140.8	74%	0.738	77%	0.769	S	S	*	*	S	Bend	trans	-81.3	112.1	179.5	173.8	23.1	0	0	0	110.1
301	H	38.6	Very low	33.1	Very low	164 Å²	164	140.8 Å²	140.8	76%	0.759	78%	0.775	S	S	*	*			trans	167.2	73.9	140.8	-81.3	-4	0	0	0	110.4	D299 L303	D299-H301 PolarHBondContact O-N 3.38Å; H301-L303 PolarHBondContact O-N 2.89Å
302	G	35.9	Very low	32.6	Very low	78 Å²	78	137.6 Å²	137.6	80%	0.804	77%	0.769	S	S	*	*			trans	-82.9	112.8	-177.2	0	0	0	0	0	114.5
303	L	32.1	Very low	32.7	Very low	171 Å²	171	136 Å²	136	90%	0.895	77%	0.767	S	S	*	*			trans	-162.4	165.1	144.9	-93.2	-175	0	0	0	108.8	H301	H301-L303 PolarHBondContact O-N 2.89Å
304	P	34.8	Very low	32.1	Very low	117 Å²	117	135.8 Å²	135.8	76%	0.76	77%	0.766	S	S	*	*			trans	-99.2	156.5	-152.5	9.6	9.3	0	0	0	115.5
305	W	27.3	Very low	31.5	Very low	219 Å²	219	140 Å²	140	83%	0.83	78%	0.781	S	S	*	*			trans	-106.5	152.9	161.7	79.8	-72.6	0	0	0	111.5	S307	W305-S307 VanDerWaalsContact CE3-O 3.31Å; W305-S307 WeakPolarHBondContact CZ3-O 3.35Å
306	M	26	Very low	31.1	Very low	158 Å²	158	142.4 Å²	142.4	78%	0.778	78%	0.783	S	S	*	*			trans	-129.2	155.3	-178.4	-72.8	-103.7	69.5	0	0	109.3
307	S	27.6	Very low	31.3	Very low	78 Å²	78	144.2 Å²	144.2	55%	0.545	78%	0.781	S	S	.	*			trans	66.2	142.5	175.9	4.2	0	0	0	0	113.5	W305	W305-S307 VanDerWaalsContact CE3-O 3.31Å; W305-S307 WeakPolarHBondContact CZ3-O 3.35Å
308	D	28.3	Very low	31.3	Very low	155 Å²	155	144.1 Å²	144.1	83%	0.829	78%	0.78	S	S	*	*			cis	-122.7	162.6	31.2	-75.5	-50.4	0	0	0	116.6
309	T	29.8	Very low	31.7	Very low	126 Å²	126	141.4 Å²	141.4	77%	0.773	77%	0.774	S	S	*	*			trans	-80.7	155.6	166	45.1	0	0	0	0	112
310	E	29.7	Very low	31.8	Very low	194 Å²	194	146 Å²	146	91%	0.907	78%	0.78	S	S	*	*			trans	-172.1	169.1	130.4	-81.5	-117.8	110.9	0	0	108.7
311	E	27.6	Very low	31.4	Very low	178 Å²	178	149.1 Å²	149.1	83%	0.832	79%	0.787	S	S	*	*			trans	-136.8	161.7	-171.4	-104	-153.2	73.1	0	0	111
312	S	29.5	Very low	31.1	Very low	81 Å²	81	153.2 Å²	153.2	57%	0.566	80%	0.796	S	S	*	*			cis	-152.1	-144.2	8.1	-149.9	0	0	0	0	107.3
313	P	41.2	Very low	30.8	Very low	105 Å²	105	154.2 Å²	154.2	68%	0.682	80%	0.796	S	S	*	*			cis	-129.4	162.3	-30.8	24.8	-2.7	0	0	0	115.8
314	F	26.5	Very low	30.7	Very low	187 Å²	187	152.6 Å²	152.6	82%	0.82	79%	0.793	S	S	*	*			trans	36.2	113.4	147.6	-80.9	-99.1	0	0	0	122.3
315	L	29.1	Very low	30.5	Very low	178 Å²	178	156.1 Å²	156.1	93%	0.932	80%	0.796	S	S	*	*			trans	-141.2	123.8	130.4	-77	-177.1	0	0	0	109.8
316	D	30.5	Very low	30.6	Very low	131 Å²	131	151.1 Å²	151.1	70%	0.701	79%	0.79	S	S	*	*			trans	-99.7	120.3	-176.9	178.7	23.9	0	0	0	113.3	A318	D316-A318 VanDerWaalsContact C-N 3.34Å; D316-A318 PolarHBondContact O-N 3.21Å
317	P	36.3	Very low	30.7	Very low	117 Å²	117	151.9 Å²	151.9	76%	0.76	79%	0.789	S	S	*	*			trans	-74.9	69.4	176.1	-17.2	33.7	0	0	0	115	L319	P317-L319 PolarHBondContact O-N 3.15Å
318	A	31	Very low	30.9	Very low	86 Å²	86	157.3 Å²	157.3	71%	0.711	81%	0.805	S	S	*	*			trans	-64.6	84.5	-176	0	0	0	0	0	116.1	D316	D316-A318 VanDerWaalsContact C-N 3.34Å; D316-A318 PolarHBondContact O-N 3.21Å
319	L	35.6	Very low	31	Very low	153 Å²	153	155.8 Å²	155.8	80%	0.801	80%	0.801	S	S	*	*			trans	5.9	119.8	159.7	-64.8	172.9	0	0	0	120.1	P317 K321	P317-L319 PolarHBondContact O-N 3.15Å; L319-K321 PolarHBondContact O-N 3.33Å
320	R	32.9	Very low	31.1	Very low	251 Å²	251	159.1 Å²	159.1	95%	0.947	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.2	116.4	166.3	-69.6	172.2	168.5	169.2	-4.3	112.5
321	K	29.2	Very low	31.6	Very low	205 Å²	205	160.2 Å²	160.2	89%	0.891	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-90.5	120.2	165.9	-70.3	179.4	-178.7	171.9	0	111.4	L319	L319-K321 PolarHBondContact O-N 3.33Å
322	R	31.6	Very low	32.3	Very low	250 Å²	250	161.2 Å²	161.2	94%	0.943	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-80.5	120	173	-68.2	178.8	178	166.7	0.6	110.1
323	A	29.5	Very low	33	Very low	98 Å²	98	163.1 Å²	163.1	81%	0.81	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-89.1	124.7	171	0	0	0	0	0	111
324	V	30.3	Very low	33.2	Very low	138 Å²	138	166.7 Å²	166.7	84%	0.836	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-78.7	130.8	176.5	177.9	0	0	0	0	110	V326	V324-V326 HydrophobicContact CG1-CG2 4.38Å
325	K	30.2	Very low	33.9	Very low	191 Å²	191	164.6 Å²	164.6	83%	0.83	79%	0.792	S	S	*	*			trans	-124.7	94.5	178.1	-165.4	171.7	-170.1	170.1	0	111.3	K327	K325-K327 PolarHBondContact O-N 2.98Å
326	V	29.4	Very low	34.9	Very low	113 Å²	113	159.6 Å²	159.6	69%	0.685	77%	0.772	S	S	*	*			trans	-72.6	110.6	173	-179.5	0	0	0	0	109.5	V324 T516	V324-V326 HydrophobicContact CG1-CG2 4.38Å; V326-T516 HydrophobicContact CG2-CG2 4.32Å
327	K	29	Very low	36.1	Very low	175 Å²	175	159 Å²	159	76%	0.761	77%	0.765	S	S	*	*			trans	-152.3	109.1	155.2	-137.2	176.5	-173.1	-179	0	111.6	K325 V329	K325-K327 PolarHBondContact O-N 2.98Å; K327-V329 PolarHBondContact O-N 3.17Å
328	H	31.3	Very low	37.4	Very low	191 Å²	191	160.2 Å²	160.2	88%	0.884	76%	0.758	S	S	*	*			trans	-71.4	112.5	178.8	-150.8	94.8	0	0	0	109.5
329	V	31.1	Very low	38.8	Very low	123 Å²	123	163.4 Å²	163.4	75%	0.745	76%	0.756	S	S	*	*			trans	-131.8	120.2	175.2	-179.8	0	0	0	0	109.4	K327 R331	K327-V329 PolarHBondContact O-N 3.17Å; V329-R331 PolarHBondContact O-N 2.77Å
330	K	31.2	Very low	40.5	Very low	197 Å²	197	160.8 Å²	160.8	86%	0.857	75%	0.746	S	S	*	*			trans	-83.9	114.4	-171	-161.7	169.4	-176.6	172.4	0	110.9
331	R	41	Very low	42.2	Very low	216 Å²	216	155.1 Å²	155.1	82%	0.815	73%	0.732	S	S	*	*			trans	53.6	104.1	155.8	-162.4	-177.2	-166.9	-173	5.1	117.9	V329	V329-R331 PolarHBondContact O-N 2.77Å
332	R	41.2	Very low	44.2	Very low	200 Å²	200	150 Å²	150	76%	0.755	71%	0.711	S	S	*	*			trans	-139.1	27.4	165.6	-147.1	-173.1	-173.3	178.1	6.9	115.4	K334 K335	R332-K334 PolarHBondContact O-N 3.32Å; R332-K335 PolarHBondContact O-N 3.25Å
333	E	45.3	Very low	46	Very low	121 Å²	121	147.3 Å²	147.3	57%	0.565	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-31.8	-176.9	-65.1	140.9	130.6	0	0	113.7	K335 S336 E337	E333-K335 PolarHBondContact O-N 3.13Å; E333-S336 PolarHBondContact O-N 2.89Å; E333-S336 PolarHBondContact O-OG 3.13Å; E333-E337 PolarHBondContact O-N 3.11Å; E333-E337 VanDerWaalsContact O-N 3.1Å
334	K	45.9	Very low	48	Very low	180 Å²	180	150.2 Å²	150.2	78%	0.783	70%	0.696	S	S	*	*	H	α-helix	trans	-55.4	-18.9	177.9	-106.3	-176.5	176.7	-177.6	0	115.4	R332 E337	R332-K334 PolarHBondContact O-N 3.32Å; K334-E337 WeakPolarHBondContact CA-OE2 3.5Å
335	K	41	Very low	50.1	Low	143 Å²	143	148 Å²	148	62%	0.622	68%	0.676	S	S	*	*	H	α-helix	trans	-87.3	-30	175.3	-161.6	175.1	-177.9	-176.5	0	113.1	R332 E333 K339	R332-K335 PolarHBondContact O-N 3.25Å; E333-K335 PolarHBondContact O-N 3.13Å; K335-K339 PolarHBondContact O-N 3.43Å
336	S	49	Very low	52.2	Low	72 Å²	72	143.3 Å²	143.3	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-73.9	-42	171.8	32.9	0	0	0	0	111.2	E333 K338 K339 V340	E333-S336 PolarHBondContact O-N 2.89Å; E333-S336 PolarHBondContact O-OG 3.13Å; S336-K338 PolarHBondContact O-N 2.86Å; S336-K339 PolarHBondContact O-N 3.17Å; S336-V340 WeakPolarHBondContact O-CG2 3.45Å; S336-V340 PolarHBondContact O-N 3.02Å
337	E	55.1	Low	54.1	Low	118 Å²	118	147.6 Å²	147.6	55%	0.551	66%	0.661	S	S	*	*	H	α-helix	trans	-55.8	-49.4	176.1	-67.4	177.6	126.5	0	0	112	E333 K334 K339 V340 M341	E333-E337 PolarHBondContact O-N 3.11Å; E333-E337 VanDerWaalsContact O-N 3.1Å; K334-E337 WeakPolarHBondContact CA-OE2 3.5Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.24Å; E337-V340 PolarHBondContact O-N 3.45Å; E337-M341 WeakPolarHBondContact O-CB 3.44Å; E337-M341 PolarHBondContact O-N 3.5Å
338	K	64.1	Low	56.2	Low	143 Å²	143	147.1 Å²	147.1	62%	0.622	66%	0.655	S	S	*	*	H	α-helix	trans	-58	-44.2	177.5	-173.4	174.4	178.5	179.3	0	111.7	S336 V340 M341 E342	S336-K338 PolarHBondContact O-N 2.86Å; K338-V340 VanDerWaalsContact C-N 3.31Å; K338-V340 PolarHBondContact O-N 3.19Å; K338-M341 WeakPolarHBondContact O-CB 3.37Å; K338-M341 PolarHBondContact O-N 3.18Å; K338-E342 WeakPolarHBondContact O-CB 3.45Å; K338-E342 PolarHBondContact O-N 3.36Å
339	K	61.6	Low	58.3	Low	153 Å²	153	143.7 Å²	143.7	67%	0.665	64%	0.638	S	S	*	*	H	α-helix	trans	-69.7	-27	-178.8	-154.7	174.3	-172.9	-179.3	0	112.9	K335 S336 E337 R343	K335-K339 PolarHBondContact O-N 3.43Å; S336-K339 PolarHBondContact O-N 3.17Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.24Å; K339-R343 WeakPolarHBondContact O-CB 3.48Å; K339-R343 PolarHBondContact O-N 3.48Å; K339-R343 VanDerWaalsContact O-N 3.17Å
340	V	70.3	Confident	60	Low	99 Å²	99	145.1 Å²	145.1	60%	0.6	63%	0.63	S	S	*	*	H	α-helix	trans	-76.1	-43.1	171.7	172	0	0	0	0	111.2	S336 E337 K338 R343 K344	S336-V340 WeakPolarHBondContact O-CG2 3.45Å; S336-V340 PolarHBondContact O-N 3.02Å; E337-V340 PolarHBondContact O-N 3.45Å; K338-V340 VanDerWaalsContact C-N 3.31Å; K338-V340 PolarHBondContact O-N 3.19Å; V340-R343 PolarHBondContact O-N 3.1Å; V340-K344 VanDerWaalsContact O-CB 3.3Å; V340-K344 WeakPolarHBondContact O-CB 3.46Å; V340-K344 PolarHBondContact O-N 2.98Å
341	M	68.8	Low	62	Low	132 Å²	132	141.8 Å²	141.8	65%	0.65	62%	0.617	S	S	*	*	H	α-helix	trans	-55.5	-51.8	171	-100.8	-90.2	-79.3	0	0	111.3	E337 K338 R343 K344 E345	E337-M341 WeakPolarHBondContact O-CB 3.44Å; E337-M341 PolarHBondContact O-N 3.5Å; K338-M341 WeakPolarHBondContact O-CB 3.37Å; K338-M341 PolarHBondContact O-N 3.18Å; M341-R343 PolarHBondContact O-N 2.97Å; M341-K344 CarbonylContact O-C 3.59Å; M341-K344 WeakPolarHBondContact O-CA 3.33Å; M341-K344 WeakPolarHBondContact O-CB 3.46Å; M341-K344 PolarHBondContact O-N 2.95Å; M341-E345 WeakPolarHBondContact O-CB 3.1Å; M341-E345 PolarHBondContact O-N 3.41Å
342	E	71.1	Confident	63.3	Low	97 Å²	97	138.8 Å²	138.8	45%	0.453	61%	0.606	S	S	.	*	H	α-helix	trans	-59.1	-45.2	-179.9	-167.7	165.9	-110.6	0	0	111.5	K338 K344 E345 E346	K338-E342 WeakPolarHBondContact O-CB 3.45Å; K338-E342 PolarHBondContact O-N 3.36Å; E342-K344 PolarHBondContact O-N 2.85Å; E342-E345 PolarHBondContact O-N 2.86Å; E342-E346 PolarHBondContact O-N 2.84Å
343	R	69.1	Low	64.6	Low	194 Å²	194	135.9 Å²	135.9	73%	0.732	60%	0.601	S	S	*	*	H	α-helix	trans	-67.8	-31	173.4	-178.2	172.9	-86.8	-154.3	-5.1	113.2	K339 V340 M341 R347	K339-R343 WeakPolarHBondContact O-CB 3.48Å; K339-R343 PolarHBondContact O-N 3.48Å; K339-R343 VanDerWaalsContact O-N 3.17Å; V340-R343 PolarHBondContact O-N 3.1Å; M341-R343 PolarHBondContact O-N 2.97Å; R343-R347 PolarHBondContact O-N 3.49Å; R343-R347 VanDerWaalsContact O-N 3.15Å
344	K	73.1	Confident	65.3	Low	159 Å²	159	138.5 Å²	138.5	69%	0.691	61%	0.611	S	S	*	*	H	α-helix	trans	-72.7	-38.5	174.5	-166.8	176.7	-177.2	-178.1	0	111	V340 M341 E342 R347 Y348	V340-K344 VanDerWaalsContact O-CB 3.3Å; V340-K344 WeakPolarHBondContact O-CB 3.46Å; V340-K344 PolarHBondContact O-N 2.98Å; M341-K344 CarbonylContact O-C 3.59Å; M341-K344 WeakPolarHBondContact O-CA 3.33Å; M341-K344 WeakPolarHBondContact O-CB 3.46Å; M341-K344 PolarHBondContact O-N 2.95Å; E342-K344 PolarHBondContact O-N 2.85Å; K344-R347 WeakPolarHBondContact O-CB 3.08Å; K344-R347 PolarHBondContact O-N 3.41Å; K344-Y348 PolarHBondContact O-N 2.85Å
345	E	74.1	Confident	65.8	Low	92 Å²	92	134.9 Å²	134.9	43%	0.43	60%	0.596	S	S	.	*	H	α-helix	trans	-68.5	-41.1	175.3	-162.3	-168.9	150	0	0	111.5	M341 E342 R347 Y348 K349	M341-E345 WeakPolarHBondContact O-CB 3.1Å; M341-E345 PolarHBondContact O-N 3.41Å; E342-E345 PolarHBondContact O-N 2.86Å; E345-R347 VanDerWaalsContact C-N 3.29Å; E345-R347 PolarHBondContact O-N 3.1Å; E345-Y348 PolarHBondContact O-N 2.88Å; E345-K349 HydrophobicContact CG-CD 4.45Å; E345-K349 WeakPolarHBondContact O-CB 3.27Å; E345-K349 VanDerWaalsContact O-CG 3.32Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 2.96Å; E345-K349 WeakPolarHBondContact OE1-CE 3.38Å; E345-K349 IonicContact OE1-NZ 3.6Å; E345-K349 PolarHBondContact OE1-NZ 3.24Å
346	E	72.6	Confident	66.5	Low	91 Å²	91	134.4 Å²	134.4	43%	0.425	59%	0.594	S	S	.	*	H	α-helix	trans	-59	-39	168.8	-80.2	-167.3	159.7	0	0	112.7	E342 R350	E342-E346 PolarHBondContact O-N 2.84Å; E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.31Å; E346-R350 PolarHBondContact O-N 3.08Å; E346-R350 IonicContact OE2-CZ 2.85Å; E346-R350 IonicContact OE2-NH2 3.7Å; E346-R350 PolarHBondContact OE2-NH2 3.3Å
347	R	70.4	Confident	66.9	Low	204 Å²	204	136.7 Å²	136.7	77%	0.77	60%	0.597	S	S	*	*	H	α-helix	trans	-67.5	-40.6	177.8	-152.8	178.7	-159.6	-168.2	5.7	110.6	R343 K344 E345 H351	R343-R347 PolarHBondContact O-N 3.49Å; R343-R347 VanDerWaalsContact O-N 3.15Å; K344-R347 WeakPolarHBondContact O-CB 3.08Å; K344-R347 PolarHBondContact O-N 3.41Å; E345-R347 VanDerWaalsContact C-N 3.29Å; E345-R347 PolarHBondContact O-N 3.1Å; R347-H351 WeakPolarHBondContact O-CB 3.05Å; R347-H351 PolarHBondContact O-N 3.34Å
348	Y	72.8	Confident	66.8	Low	164 Å²	164	138.7 Å²	138.7	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-66.4	-43.3	174.1	-170.7	-100.7	0	0	0	112.2	K344 E345 H351 R352	K344-Y348 PolarHBondContact O-N 2.85Å; E345-Y348 PolarHBondContact O-N 2.88Å; Y348-H351 PolarHBondContact O-N 2.96Å; Y348-R352 WeakPolarHBondContact O-CB 3.11Å; Y348-R352 PolarHBondContact O-N 2.88Å
349	K	75	Confident	66.3	Low	119 Å²	119	136.2 Å²	136.2	52%	0.517	60%	0.597	S	S	.	*	H	α-helix	trans	-59.8	-46.9	173.4	-75.9	171	-178	167.8	0	111.3	E345 H351 R352 Q353	E345-K349 HydrophobicContact CG-CD 4.45Å; E345-K349 WeakPolarHBondContact O-CB 3.27Å; E345-K349 VanDerWaalsContact O-CG 3.32Å; E345-K349 WeakPolarHBondContact O-CG 3.43Å; E345-K349 PolarHBondContact O-N 2.96Å; E345-K349 WeakPolarHBondContact OE1-CE 3.38Å; E345-K349 IonicContact OE1-NZ 3.6Å; E345-K349 PolarHBondContact OE1-NZ 3.24Å; K349-H351 PolarHBondContact O-N 3.41Å; K349-R352 PolarHBondContact O-N 3.47Å; K349-Q353 WeakPolarHBondContact O-CB 3.41Å; K349-Q353 PolarHBondContact O-N 2.88Å
350	R	68.2	Low	65.8	Low	153 Å²	153	137.8 Å²	137.8	58%	0.577	60%	0.604	S	S	*	*	H	α-helix	trans	-63.1	-38.2	174.9	-79.2	-177.2	-103.7	-151.6	-5.5	113	E346 Q353 K354	E346-R350 WeakPolarHBondContact O-CB 3.31Å; E346-R350 WeakPolarHBondContact O-CG 3.31Å; E346-R350 PolarHBondContact O-N 3.08Å; E346-R350 IonicContact OE2-CZ 2.85Å; E346-R350 IonicContact OE2-NH2 3.7Å; E346-R350 PolarHBondContact OE2-NH2 3.3Å; R350-Q353 PolarHBondContact O-N 2.93Å; R350-K354 PolarHBondContact O-N 3Å
351	H	72.1	Confident	64.4	Low	128 Å²	128	142.7 Å²	142.7	59%	0.593	61%	0.612	S	S	*	*	H	α-helix	trans	-62.6	-48.9	172.6	-165.8	-87	0	0	0	111.3	R347 Y348 K349 Q353 K354 Q355	R347-H351 WeakPolarHBondContact O-CB 3.05Å; R347-H351 PolarHBondContact O-N 3.34Å; Y348-H351 PolarHBondContact O-N 2.96Å; K349-H351 PolarHBondContact O-N 3.41Å; H351-Q353 VanDerWaalsContact C-N 3.27Å; H351-Q353 PolarHBondContact O-N 3.16Å; H351-K354 PolarHBondContact O-N 2.99Å; H351-Q355 WeakPolarHBondContact O-CB 3.43Å; H351-Q355 PolarHBondContact O-N 3.4Å
352	R	69.5	Low	63.1	Low	153 Å²	153	144.3 Å²	144.3	58%	0.577	62%	0.615	S	S	*	*	H	α-helix	trans	-62.9	-30.3	177	-164.2	178.9	-173.5	-147.9	4.6	112.7	Y348 K349 K356	Y348-R352 WeakPolarHBondContact O-CB 3.11Å; Y348-R352 PolarHBondContact O-N 2.88Å; K349-R352 PolarHBondContact O-N 3.47Å; R352-K356 WeakPolarHBondContact O-CB 3.46Å; R352-K356 WeakPolarHBondContact O-CG 3.45Å; R352-K356 PolarHBondContact O-N 3.38Å
353	Q	66.7	Low	61.8	Low	139 Å²	139	147.2 Å²	147.2	65%	0.65	63%	0.629	S	S	*	*	H	α-helix	trans	-71.8	-45.5	173.2	-121.2	173.2	-8.7	0	0	112	K349 R350 H351 Q355 K356 H357	K349-Q353 WeakPolarHBondContact O-CB 3.41Å; K349-Q353 PolarHBondContact O-N 2.88Å; R350-Q353 PolarHBondContact O-N 2.93Å; H351-Q353 VanDerWaalsContact C-N 3.27Å; H351-Q353 PolarHBondContact O-N 3.16Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 2.81Å; Q353-K356 PolarHBondContact O-N 3.05Å; Q353-H357 WeakPolarHBondContact O-CB 3.41Å; Q353-H357 PolarHBondContact O-N 3.38Å
354	K	60.3	Low	60.6	Low	176 Å²	176	143.1 Å²	143.1	77%	0.765	63%	0.627	S	S	*	*	H	α-helix	trans	-60.9	-38.9	171.9	-91.6	-166.8	169.8	-170.9	0	111.9	R350 H351 H357 K358	R350-K354 PolarHBondContact O-N 3Å; H351-K354 PolarHBondContact O-N 2.99Å; K354-H357 PolarHBondContact O-N 3.44Å; K354-K358 PolarHBondContact O-N 3.41Å
355	Q	58	Low	59.1	Low	103 Å²	103	142.5 Å²	142.5	48%	0.481	63%	0.627	S	S	.	*	H	α-helix	trans	-64.4	-52.1	175.7	-165.6	166.1	-2.4	0	0	110.9	H351 Q353 H357 K358 D359	H351-Q355 WeakPolarHBondContact O-CB 3.43Å; H351-Q355 PolarHBondContact O-N 3.4Å; Q353-Q355 VanDerWaalsContact C-N 3.29Å; Q353-Q355 PolarHBondContact O-N 2.81Å; Q355-H357 PolarHBondContact O-N 2.92Å; Q355-K358 CarbonylContact O-C 3.51Å; Q355-K358 WeakPolarHBondContact O-CA 3.42Å; Q355-K358 WeakPolarHBondContact O-CB 3.03Å; Q355-K358 PolarHBondContact O-N 3.11Å; Q355-D359 VanDerWaalsContact O-CG 3.24Å; Q355-D359 PolarHBondContact O-N 3.32Å; Q355-D359 VanDerWaalsContact O-OD2 3.09Å
356	K	54.5	Low	57.7	Low	134 Å²	134	148.5 Å²	148.5	58%	0.583	65%	0.645	S	S	*	*	H	α-helix	trans	-56.5	-33.3	172.9	-82.1	-165.3	170.2	-161.9	0	113.9	R352 Q353 K360	R352-K356 WeakPolarHBondContact O-CB 3.46Å; R352-K356 WeakPolarHBondContact O-CG 3.45Å; R352-K356 PolarHBondContact O-N 3.38Å; Q353-K356 PolarHBondContact O-N 3.05Å; K356-K360 VanDerWaalsContact O-CB 3.26Å; K356-K360 WeakPolarHBondContact O-CB 3.34Å; K356-K360 PolarHBondContact O-N 3.37Å
357	H	57.8	Low	56.5	Low	119 Å²	119	149.3 Å²	149.3	55%	0.551	67%	0.667	S	S	*	*	H	α-helix	trans	-71.2	-38.8	174.3	-165	-85.7	0	0	0	111.8	Q353 K354 Q355 D359 K360 W361	Q353-H357 WeakPolarHBondContact O-CB 3.41Å; Q353-H357 PolarHBondContact O-N 3.38Å; K354-H357 PolarHBondContact O-N 3.44Å; Q355-H357 PolarHBondContact O-N 2.92Å; H357-D359 VanDerWaalsContact C-N 3.34Å; H357-K360 PolarHBondContact O-N 2.83Å; H357-W361 AromaticContact CE1-CD1 3.29Å; H357-W361 AromaticContact CE1-NE1 3.11Å; H357-W361 PolarHBondContact CE1-NE1 3.29Å; H357-W361 AromaticContact ND1-CD1 3.58Å; H357-W361 AromaticContact ND1-NE1 3.89Å; H357-W361 AromaticContact NE2-CD1 3.75Å; H357-W361 AromaticContact NE2-NE1 3.36Å; H357-W361 PolarHBondContact NE2-NE1 2.91Å; H357-W361 PolarHBondContact O-N 3.33Å; H357-W361 VanDerWaalsContact O-N 3.15Å
358	K	53.5	Low	55.3	Low	160 Å²	160	145.5 Å²	145.5	70%	0.696	66%	0.662	S	S	*	*	H	α-helix	trans	-65.1	-37.5	173.5	-166.5	178.6	-177.2	-177.1	0	112	K354 Q355	K354-K358 PolarHBondContact O-N 3.41Å; Q355-K358 CarbonylContact O-C 3.51Å; Q355-K358 WeakPolarHBondContact O-CA 3.42Å; Q355-K358 WeakPolarHBondContact O-CB 3.03Å; Q355-K358 PolarHBondContact O-N 3.11Å
359	D	52.5	Low	54.4	Low	91 Å²	91	142.6 Å²	142.6	49%	0.487	67%	0.672	S	S	.	*	H	α-helix	trans	-73.7	-37.1	177.4	-58.5	-36.3	0	0	0	111.8	Q355 H357 W361 K362	Q355-D359 VanDerWaalsContact O-CG 3.24Å; Q355-D359 PolarHBondContact O-N 3.32Å; Q355-D359 VanDerWaalsContact O-OD2 3.09Å; H357-D359 VanDerWaalsContact C-N 3.34Å; D359-W361 VanDerWaalsContact C-N 3.29Å; D359-W361 PolarHBondContact O-N 2.86Å; D359-K362 PolarHBondContact O-N 3.19Å
360	K	51	Low	53.4	Low	186 Å²	186	143.8 Å²	143.8	81%	0.809	68%	0.677	S	S	*	*	H	α-helix	trans	-73.5	-17.5	177	-163.2	176.4	-178.3	-171.5	0	113.8	K356 H357	K356-K360 VanDerWaalsContact O-CB 3.26Å; K356-K360 WeakPolarHBondContact O-CB 3.34Å; K356-K360 PolarHBondContact O-N 3.37Å; H357-K360 PolarHBondContact O-N 2.83Å
361	W	41.5	Very low	52.7	Low	203 Å²	203	141.3 Å²	141.3	77%	0.769	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	9.4	171.1	-82.8	80.4	0	0	0	113.6	H357 D359 H363	H357-W361 AromaticContact CE1-CD1 3.29Å; H357-W361 AromaticContact CE1-NE1 3.11Å; H357-W361 PolarHBondContact CE1-NE1 3.29Å; H357-W361 AromaticContact ND1-CD1 3.58Å; H357-W361 AromaticContact ND1-NE1 3.89Å; H357-W361 AromaticContact NE2-CD1 3.75Å; H357-W361 AromaticContact NE2-NE1 3.36Å; H357-W361 PolarHBondContact NE2-NE1 2.91Å; H357-W361 PolarHBondContact O-N 3.33Å; H357-W361 VanDerWaalsContact O-N 3.15Å; D359-W361 VanDerWaalsContact C-N 3.29Å; D359-W361 PolarHBondContact O-N 2.86Å; W361-H363 PolarHBondContact O-N 3.44Å
362	K	42.2	Very low	51.9	Low	165 Å²	165	139.9 Å²	139.9	72%	0.717	68%	0.677	S	S	*	*			trans	-80.4	98.4	159.2	-74.8	-165.4	170	-166.6	0	109.4	D359	D359-K362 PolarHBondContact O-N 3.19Å
363	H	42.4	Very low	51.4	Low	159 Å²	159	136.9 Å²	136.9	74%	0.736	69%	0.685	S	S	*	*			trans	-58.8	141.4	162.3	-159.8	-84.1	0	0	0	108.9	W361 E365	W361-H363 PolarHBondContact O-N 3.44Å; H363-E365 PolarHBondContact O-N 3.39Å
364	P	44.2	Very low	51.5	Low	107 Å²	107	134.3 Å²	134.3	70%	0.695	68%	0.683	S	S	*	*			trans	-71.6	84.6	161.6	31.2	-32.1	0	0	0	107.9	R366	P364-R366 PolarHBondContact O-N 3.36Å
365	E	41.7	Very low	52.1	Low	147 Å²	147	128.8 Å²	128.8	69%	0.687	66%	0.661	S	S	*	*			trans	-58.9	121.3	149.9	-104.9	-169.7	121.2	0	0	105.9	H363 K370	H363-E365 PolarHBondContact O-N 3.39Å; E365-K370 IonicContact OE1-NZ 3.78Å; E365-K370 PolarHBondContact OE1-NZ 2.91Å
366	R	44.3	Very low	53.3	Low	217 Å²	217	128.3 Å²	128.3	82%	0.819	67%	0.668	S	S	*	*			trans	-59.4	147.7	164	-73.3	176.4	170.9	167.5	-4.3	107.4	P364 D368	P364-R366 PolarHBondContact O-N 3.36Å; R366-D368 PolarHBondContact O-N 2.89Å
367	A	47.3	Very low	55	Low	108 Å²	108	127.8 Å²	127.8	89%	0.893	67%	0.667	S	S	*	*			trans	-74.7	64	171.2	0	0	0	0	0	110.2	A369	A367-A369 PolarHBondContact O-N 3.39Å
368	D	45.4	Very low	56.6	Low	125 Å²	125	122.3 Å²	122.3	67%	0.668	64%	0.642	S	S	*	*			trans	-62.4	123.2	157.6	-81.6	-68.2	0	0	0	107.3	R366 K370	R366-D368 PolarHBondContact O-N 2.89Å; D368-K370 PolarHBondContact O-N 2.95Å
369	A	54.7	Low	58.4	Low	102 Å²	102	119.3 Å²	119.3	84%	0.843	63%	0.633	S	S	*	*			trans	-72.9	77.8	-176.5	0	0	0	0	0	110.3	A367 D371	A367-A369 PolarHBondContact O-N 3.39Å; A369-D371 PolarHBondContact O-N 3.09Å
370	K	54.3	Low	60.1	Low	145 Å²	145	115.3 Å²	115.3	63%	0.63	61%	0.614	S	S	*	*			trans	-56	120	167.1	-77	167.9	-179.1	160.4	0	107.9	E365 D368	E365-K370 IonicContact OE1-NZ 3.78Å; E365-K370 PolarHBondContact OE1-NZ 2.91Å; D368-K370 PolarHBondContact O-N 2.95Å
371	D	52.9	Low	61.9	Low	100 Å²	100	109.6 Å²	109.6	54%	0.535	60%	0.595	S	S	.	*			trans	-51.1	130.3	-172.3	-168.5	-43	0	0	0	110.9	A369 A373 S374	A369-D371 PolarHBondContact O-N 3.09Å; D371-A373 PolarHBondContact O-N 3.3Å; D371-A373 WeakPolarHBondContact OD1-CB 3.24Å; D371-A373 PolarHBondContact OD1-N 3.48Å; D371-S374 PolarHBondContact O-N 2.84Å
372	P	55.4	Low	64.1	Low	98 Å²	98	104 Å²	104	64%	0.636	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-57	-18.5	177.3	24	-34.9	0	0	0	113.9	S374	P372-S374 VanDerWaalsContact C-N 3.28Å; P372-S374 PolarHBondContact O-N 2.91Å
373	A	59.4	Low	66.5	Low	90 Å²	90	96.9 Å²	96.9	74%	0.744	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-69.3	-16.9	171.5	0	0	0	0	0	114.5	D371	D371-A373 PolarHBondContact O-N 3.3Å; D371-A373 WeakPolarHBondContact OD1-CB 3.24Å; D371-A373 PolarHBondContact OD1-N 3.48Å
374	S	67.6	Low	68.8	Low	86 Å²	86	95.3 Å²	95.3	60%	0.601	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-93.2	2	-176	101.1	0	0	0	0	114.7	D371 P372	D371-S374 PolarHBondContact O-N 2.84Å; P372-S374 VanDerWaalsContact C-N 3.28Å; P372-S374 PolarHBondContact O-N 2.91Å
375	L	73.3	Confident	71	Confident	59 Å²	59	96.5 Å²	96.5	31%	0.309	56%	0.564	S	S	.	*	S	Bend	trans	-93.4	134.4	179.2	-75.4	168.8	0	0	0	110.7	P386 P389	L375-P386 HydrophobicContact CB-CB 3.69Å; L375-P386 HydrophobicContact CD1-CB 4.41Å; L375-P389 HydrophobicContact CD1-CG 4.38Å; L375-P389 HydrophobicContact CD2-CB 4.39Å; L375-P389 HydrophobicContact CD2-CG 4.19Å
376	P	83.3	Confident	73.3	Confident	94 Å²	94	92.4 Å²	92.4	61%	0.61	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-63.3	145.5	-179.5	27.4	-34.7	0	0	0	111.2	A387	P376-A387 VanDerWaalsContact O-CB 3.29Å; P376-A387 WeakPolarHBondContact O-CB 3.2Å; P376-A387 PolarHBondContact O-N 2.89Å
377	Q	90.1	Very high	75.5	Confident	122 Å²	122	82.2 Å²	82.2	57%	0.57	51%	0.512	S	S	*	.	B	Isolated β-bridge	trans	-58	139.6	178.2	-174	179.4	-12.5	0	0	111.7	L379 C383	Q377-L379 PolarHBondContact O-N 2.92Å; Q377-C383 WeakPolarHBondContact CG-O 3.43Å; Q377-C383 PolarHBondContact NE2-O 3.44Å
378	C	92.8	Very high	77.6	Confident	4 Å²	4	81.6 Å²	81.6	3%	0.027	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-58.2	125.3	175	173.6	0	0	0	0	111.3	G380 C383 R385 Y393 C394	C378-G380 PolarHBondContact O-N 2.92Å; C378-G380 PolarHBondContact SG-N 3.09Å; C378-G380 VanDerWaalsContact SG-N 3.41Å; C378-C383 HydrophobicContact CB-CB 4.16Å; C378-C383 VanDerWaalsContact SG-SG 3.7Å; C378-R385 WeakPolarHBondContact CB-O 3.42Å; C378-R385 PolarHBondContact N-O 3.3Å; C378-Y393 VanDerWaalsContact SG-CA 3.56Å; C378-C394 HydrophobicContact CB-CB 4.06Å; C378-C394 PolarHBondContact SG-N 2.96Å; C378-C394 PolarHBondContact SG-SG 3.29Å
379	L	89.6	Confident	79.5	Confident	98 Å²	98	81.3 Å²	81.3	51%	0.513	50%	0.496	S	S	.	.			trans	-71.4	21.5	176.6	-56.4	-174.7	0	0	0	114.1	Q377 K392 Y393 L402	Q377-L379 PolarHBondContact O-N 2.92Å; L379-K392 HydrophobicContact CD1-CB 4Å; L379-K392 HydrophobicContact CD1-CD 4.04Å; L379-K392 HydrophobicContact CD1-CG 4.46Å; L379-K392 HydrophobicContact CG-CB 4.33Å; L379-K392 PolarHBondContact N-O 3.35Å; L379-Y393 HydrophobicContact CB-CD1 4.3Å; L379-Y393 HydrophobicContact CB-CE1 3.98Å; L379-L402 HydrophobicContact CB-CD2 4.49Å; L379-L402 WeakPolarHBondContact O-CD2 3.43Å
380	G	89.8	Confident	80.9	Confident	7 Å²	7	82.3 Å²	82.3	7%	0.072	50%	0.496	C	S	.	.	S	Bend	trans	-81.7	142.7	178.6	0	0	0	0	0	110.2	C378 G382 C383	C378-G380 PolarHBondContact O-N 2.92Å; C378-G380 PolarHBondContact SG-N 3.09Å; C378-G380 VanDerWaalsContact SG-N 3.41Å; G380-G382 PolarHBondContact O-N 2.77Å; G380-C383 VanDerWaalsContact O-CB 3.3Å; G380-C383 WeakPolarHBondContact O-CB 3.49Å; G380-C383 PolarHBondContact O-N 3.36Å
381	P	88.3	Confident	82.6	Confident	65 Å²	65	77.4 Å²	77.4	42%	0.422	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	123.5	179.3	23.1	-33.2	0	0	0	110.6	C383 K401	P381-C383 PolarHBondContact O-N 3.05Å; P381-K401 HydrophobicContact CG-CB 4.12Å
382	G	87.6	Confident	84.3	Confident	86 Å²	86	79.4 Å²	79.4	89%	0.887	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	7.7	-177	0	0	0	0	0	116.1	G380	G380-G382 PolarHBondContact O-N 2.77Å
383	C	91.3	Very high	86.2	Confident	15 Å²	15	77.6 Å²	77.6	10%	0.101	47%	0.465	C	S	.	.			trans	-89.7	118	-172.4	-164.6	0	0	0	0	112.6	Q377 C378 G380 P381 C394	Q377-C383 WeakPolarHBondContact CG-O 3.43Å; Q377-C383 PolarHBondContact NE2-O 3.44Å; C378-C383 HydrophobicContact CB-CB 4.16Å; C378-C383 VanDerWaalsContact SG-SG 3.7Å; G380-C383 VanDerWaalsContact O-CB 3.3Å; G380-C383 WeakPolarHBondContact O-CB 3.49Å; G380-C383 PolarHBondContact O-N 3.36Å; P381-C383 PolarHBondContact O-N 3.05Å; C383-C394 PolarHBondContact SG-SG 2.83Å
384	V	91.5	Very high	87.7	Confident	127 Å²	127	74.3 Å²	74.3	77%	0.77	44%	0.436	S	S	*	.			trans	-95.5	0.1	175.6	-61.6	0	0	0	0	114.1
385	R	90.9	Very high	89	Confident	132 Å²	132	71.6 Å²	71.6	50%	0.498	42%	0.418	S	S	.	.	S	Bend	trans	-73.1	146.1	179.3	-62.5	-170.9	-67.4	-173.9	-1.1	111	C378 C394	C378-R385 WeakPolarHBondContact CB-O 3.42Å; C378-R385 PolarHBondContact N-O 3.3Å; R385-C394 HydrophobicContact CB-CB 3.95Å; R385-C394 VanDerWaalsContact CZ-SG 3.53Å; R385-C394 PolarHBondContact NE-SG 3.22Å; R385-C394 PolarHBondContact NH2-SG 3.31Å
386	P	89.6	Confident	89.9	Confident	60 Å²	60	75.1 Å²	75.1	39%	0.39	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-60.6	144.4	169.6	25.6	-33.5	0	0	0	110.9	L375 C394	L375-P386 HydrophobicContact CB-CB 3.69Å; L375-P386 HydrophobicContact CD1-CB 4.41Å; P386-C394 VanDerWaalsContact O-CB 3.25Å; P386-C394 WeakPolarHBondContact O-CB 3.37Å
387	A	91.4	Very high	90.4	Very high	3 Å²	3	74 Å²	74	3%	0.025	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.9	155.4	172.4	0	0	0	0	0	111.1	P376 S391	P376-A387 VanDerWaalsContact O-CB 3.29Å; P376-A387 WeakPolarHBondContact O-CB 3.2Å; P376-A387 PolarHBondContact O-N 2.89Å; A387-S391 WeakPolarHBondContact CB-O 3.44Å
388	Q	89.9	Confident	90.5	Very high	95 Å²	95	68.8 Å²	68.8	44%	0.444	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.3	150.4	175.2	-60.2	174.5	-22.8	0	0	110.6	S390 S391 Y393 C394	Q388-S390 PolarHBondContact O-N 3.45Å; Q388-S391 PolarHBondContact O-N 2.61Å; Q388-Y393 PolarHBondContact N-O 3.17Å; Q388-C394 PolarHBondContact NE2-O 2.82Å
389	P	85.3	Confident	90.5	Very high	120 Å²	120	69.1 Å²	69.1	78%	0.779	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-13.4	-174.6	-29.2	35.7	0	0	0	117.5	L375	L375-P389 HydrophobicContact CD1-CG 4.38Å; L375-P389 HydrophobicContact CD2-CB 4.39Å; L375-P389 HydrophobicContact CD2-CG 4.19Å
390	S	84.6	Confident	90.6	Very high	122 Å²	122	70.7 Å²	70.7	85%	0.853	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	24.3	174.6	73.9	0	0	0	0	113.6	Q388	Q388-S390 PolarHBondContact O-N 3.45Å
391	S	89.6	Confident	90.7	Very high	42 Å²	42	75.3 Å²	75.3	29%	0.294	43%	0.431	S	S	.	.			trans	-136.9	161.2	-177.8	-170.8	0	0	0	0	111.3	A387 Q388 Y393	A387-S391 WeakPolarHBondContact CB-O 3.44Å; Q388-S391 PolarHBondContact O-N 2.61Å; S391-Y393 VanDerWaalsContact C-N 3.28Å; S391-Y393 WeakPolarHBondContact CB-O 3.34Å; S391-Y393 PolarHBondContact OG-N 2.87Å; S391-Y393 VanDerWaalsContact OG-N 3.15Å; S391-Y393 PolarHBondContact OG-O 3.17Å
392	K	89.9	Confident	90.9	Very high	143 Å²	143	73.5 Å²	73.5	62%	0.622	42%	0.417	S	S	*	.	S	Bend	trans	-88.7	-0.7	167.9	-60.2	-172.6	180	-173.6	0	112.4	L379	L379-K392 HydrophobicContact CD1-CB 4Å; L379-K392 HydrophobicContact CD1-CD 4.04Å; L379-K392 HydrophobicContact CD1-CG 4.46Å; L379-K392 HydrophobicContact CG-CB 4.33Å; L379-K392 PolarHBondContact N-O 3.35Å
393	Y	94	Very high	91	Very high	59 Å²	59	71.7 Å²	71.7	23%	0.231	39%	0.394	C	S	.	.	S	Bend	trans	-131.1	154.7	-173.9	-45.3	-65.6	0	0	0	111.1	C378 L379 Q388 S391 S395 L402	C378-Y393 VanDerWaalsContact SG-CA 3.56Å; L379-Y393 HydrophobicContact CB-CD1 4.3Å; L379-Y393 HydrophobicContact CB-CE1 3.98Å; Q388-Y393 PolarHBondContact N-O 3.17Å; S391-Y393 VanDerWaalsContact C-N 3.28Å; S391-Y393 WeakPolarHBondContact CB-O 3.34Å; S391-Y393 PolarHBondContact OG-N 2.87Å; S391-Y393 VanDerWaalsContact OG-N 3.15Å; S391-Y393 PolarHBondContact OG-O 3.17Å; Y393-S395 WeakPolarHBondContact CB-O 3.18Å; Y393-L402 HydrophobicContact CE1-CD2 3.86Å
394	C	92.6	Very high	90.9	Very high	21 Å²	21	72.7 Å²	72.7	14%	0.142	40%	0.403	C	S	.	.	S	Bend	trans	-81	-20.8	171.9	60.6	0	0	0	0	112.9	C378 C383 R385 P386 Q388	C378-C394 HydrophobicContact CB-CB 4.06Å; C378-C394 PolarHBondContact SG-N 2.96Å; C378-C394 PolarHBondContact SG-SG 3.29Å; C383-C394 PolarHBondContact SG-SG 2.83Å; R385-C394 HydrophobicContact CB-CB 3.95Å; R385-C394 VanDerWaalsContact CZ-SG 3.53Å; R385-C394 PolarHBondContact NE-SG 3.22Å; R385-C394 PolarHBondContact NH2-SG 3.31Å; P386-C394 VanDerWaalsContact O-CB 3.25Å; P386-C394 WeakPolarHBondContact O-CB 3.37Å; Q388-C394 PolarHBondContact NE2-O 2.82Å
395	S	93.4	Very high	90.8	Very high	30 Å²	30	69.9 Å²	69.9	21%	0.21	38%	0.384	C	S	.	.	S	Bend	trans	-155.4	159.8	176.3	63.1	0	0	0	0	110.9	Y393 D397 C398 G399	Y393-S395 WeakPolarHBondContact CB-O 3.18Å; S395-D397 PolarHBondContact O-N 2.93Å; S395-C398 PolarHBondContact O-N 3.37Å; S395-C398 PolarHBondContact OG-N 3.13Å; S395-G399 PolarHBondContact O-N 3.1Å
396	D	93.3	Very high	90.7	Very high	133 Å²	133	70.1 Å²	70.1	71%	0.711	39%	0.385	S	S	*	.	H	α-helix	trans	-61.5	-34.5	174.7	-62.4	-44	0	0	0	112	C398 G399 M400	D396-C398 PolarHBondContact O-N 3.5Å; D396-G399 CarbonylContact O-C 3.56Å; D396-G399 WeakPolarHBondContact O-CA 3.43Å; D396-G399 PolarHBondContact O-N 3.23Å; D396-G399 VanDerWaalsContact O-N 3.09Å; D396-M400 WeakPolarHBondContact O-CG 3.45Å; D396-M400 PolarHBondContact O-N 2.88Å
397	D	93.1	Very high	90.5	Very high	71 Å²	71	71 Å²	71	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-56.9	-43.9	173.1	170	75	0	0	0	112.6	S395 G399 M400 K401	S395-D397 PolarHBondContact O-N 2.93Å; D397-G399 VanDerWaalsContact C-N 3.3Å; D397-G399 PolarHBondContact O-N 3.49Å; D397-M400 PolarHBondContact O-N 2.84Å; D397-K401 WeakPolarHBondContact O-CB 3.19Å; D397-K401 WeakPolarHBondContact O-CG 3.35Å; D397-K401 PolarHBondContact O-N 3.14Å; D397-K401 WeakPolarHBondContact OD1-CE 3.02Å; D397-K401 IonicContact OD1-NZ 2.75Å; D397-K401 PolarHBondContact OD1-NZ 3.14Å; D397-K401 IonicContact OD2-NZ 2.74Å; D397-K401 PolarHBondContact OD2-NZ 3.45Å
398	C	92.9	Very high	90.3	Very high	12 Å²	12	79.3 Å²	79.3	8%	0.081	42%	0.417	C	S	.	.	H	α-helix	trans	-66.3	-33.2	175.2	-71.8	0	0	0	0	112.5	S395 D396 L402	S395-C398 PolarHBondContact O-N 3.37Å; S395-C398 PolarHBondContact OG-N 3.13Å; D396-C398 PolarHBondContact O-N 3.5Å; C398-L402 PolarHBondContact O-N 3.4Å
399	G	92.1	Very high	90.2	Very high	10 Å²	10	80.9 Å²	80.9	10%	0.103	43%	0.425	C	S	.	.	H	α-helix	trans	-70	-43.7	173.7	0	0	0	0	0	112.9	S395 D396 D397 L402 A403	S395-G399 PolarHBondContact O-N 3.1Å; D396-G399 CarbonylContact O-C 3.56Å; D396-G399 WeakPolarHBondContact O-CA 3.43Å; D396-G399 PolarHBondContact O-N 3.23Å; D396-G399 VanDerWaalsContact O-N 3.09Å; D397-G399 VanDerWaalsContact C-N 3.3Å; D397-G399 PolarHBondContact O-N 3.49Å; G399-L402 PolarHBondContact O-N 3.29Å; G399-A403 WeakPolarHBondContact O-CB 3.46Å; G399-A403 PolarHBondContact O-N 3.5Å
400	M	91.2	Very high	90.2	Very high	132 Å²	132	79 Å²	79	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-68	-36.9	177.3	-69.4	-156.1	-62.4	0	0	112.2	D396 D397 A403 A404	D396-M400 WeakPolarHBondContact O-CG 3.45Å; D396-M400 PolarHBondContact O-N 2.88Å; D397-M400 PolarHBondContact O-N 2.84Å; M400-A403 PolarHBondContact O-N 3.42Å; M400-A404 VanDerWaalsContact O-CB 3.27Å; M400-A404 WeakPolarHBondContact O-CB 3.47Å; M400-A404 PolarHBondContact O-N 3.49Å
401	K	92.3	Very high	90.2	Very high	104 Å²	104	75.2 Å²	75.2	45%	0.452	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-43.4	173	-77.9	167.1	176.8	158.8	0	112.4	P381 D397 A403 A404 N405	P381-K401 HydrophobicContact CG-CB 4.12Å; D397-K401 WeakPolarHBondContact O-CB 3.19Å; D397-K401 WeakPolarHBondContact O-CG 3.35Å; D397-K401 PolarHBondContact O-N 3.14Å; D397-K401 WeakPolarHBondContact OD1-CE 3.02Å; D397-K401 IonicContact OD1-NZ 2.75Å; D397-K401 PolarHBondContact OD1-NZ 3.14Å; D397-K401 IonicContact OD2-NZ 2.74Å; D397-K401 PolarHBondContact OD2-NZ 3.45Å; K401-A403 VanDerWaalsContact C-N 3.34Å; K401-A403 PolarHBondContact O-N 3.24Å; K401-A404 PolarHBondContact O-N 3.3Å; K401-N405 PolarHBondContact O-N 2.82Å; K401-N405 PolarHBondContact O-OD1 2.88Å
402	L	91.7	Very high	90.1	Very high	27 Å²	27	76.8 Å²	76.8	14%	0.141	39%	0.386	C	S	.	.	H	α-helix	trans	-62.6	-42.2	173.3	-174.1	72.8	0	0	0	111.7	L379 Y393 C398 G399 R406	L379-L402 HydrophobicContact CB-CD2 4.49Å; L379-L402 WeakPolarHBondContact O-CD2 3.43Å; Y393-L402 HydrophobicContact CE1-CD2 3.86Å; C398-L402 PolarHBondContact O-N 3.4Å; G399-L402 PolarHBondContact O-N 3.29Å; L402-R406 WeakPolarHBondContact O-CG 3.45Å; L402-R406 PolarHBondContact O-N 3.45Å
403	A	89.7	Confident	89.8	Confident	47 Å²	47	75.9 Å²	75.9	39%	0.388	38%	0.384	S	S	.	.	H	α-helix	trans	-65.2	-42.1	178.3	0	0	0	0	0	112.1	G399 M400 K401 R406 I407	G399-A403 WeakPolarHBondContact O-CB 3.46Å; G399-A403 PolarHBondContact O-N 3.5Å; M400-A403 PolarHBondContact O-N 3.42Å; K401-A403 VanDerWaalsContact C-N 3.34Å; K401-A403 PolarHBondContact O-N 3.24Å; A403-R406 PolarHBondContact O-N 2.76Å; A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.46Å; A403-I407 PolarHBondContact O-N 3.32Å
404	A	90.2	Very high	89.2	Confident	36 Å²	36	75.8 Å²	75.8	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-62.9	-49.3	177.4	0	0	0	0	0	111.6	M400 K401 R406 I407 Y408	M400-A404 VanDerWaalsContact O-CB 3.27Å; M400-A404 WeakPolarHBondContact O-CB 3.47Å; M400-A404 PolarHBondContact O-N 3.49Å; K401-A404 PolarHBondContact O-N 3.3Å; A404-R406 VanDerWaalsContact C-N 3.33Å; A404-R406 PolarHBondContact O-N 2.9Å; A404-I407 WeakPolarHBondContact O-CA 3.41Å; A404-I407 WeakPolarHBondContact O-CB 3.36Å; A404-I407 PolarHBondContact O-N 3.46Å; A404-Y408 HydrophobicContact CB-CD2 4.43Å; A404-Y408 HydrophobicContact CB-CE2 4.18Å; A404-Y408 WeakPolarHBondContact O-CD2 3.34Å; A404-Y408 PolarHBondContact O-N 2.98Å
405	N	89.1	Confident	88.8	Confident	69 Å²	69	77.9 Å²	77.9	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-56.2	-47.2	177.4	-72.1	21	0	0	0	111.6	K401 I407 Y408 E409	K401-N405 PolarHBondContact O-N 2.82Å; K401-N405 PolarHBondContact O-OD1 2.88Å; N405-I407 VanDerWaalsContact C-N 3.28Å; N405-I407 PolarHBondContact O-N 3.41Å; N405-Y408 PolarHBondContact O-N 2.93Å; N405-Y408 VanDerWaalsContact O-N 3.11Å; N405-E409 WeakPolarHBondContact O-CG 3.24Å; N405-E409 PolarHBondContact O-N 3.2Å
406	R	88.9	Confident	88.3	Confident	136 Å²	136	81.8 Å²	81.8	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-60.3	-35	175.9	-72.3	172	174.1	-167.7	-4	113.2	L402 A403 A404 I410	L402-R406 WeakPolarHBondContact O-CG 3.45Å; L402-R406 PolarHBondContact O-N 3.45Å; A403-R406 PolarHBondContact O-N 2.76Å; A404-R406 VanDerWaalsContact C-N 3.33Å; A404-R406 PolarHBondContact O-N 2.9Å; R406-I410 WeakPolarHBondContact O-CB 3.46Å; R406-I410 WeakPolarHBondContact O-CD1 3.22Å; R406-I410 VanDerWaalsContact O-CG1 3.23Å; R406-I410 WeakPolarHBondContact O-CG1 3.33Å; R406-I410 PolarHBondContact O-N 2.79Å; R406-I410 VanDerWaalsContact O-N 3.1Å
407	I	85.1	Confident	87.6	Confident	79 Å²	79	78.4 Å²	78.4	41%	0.405	39%	0.388	S	S	.	.	H	α-helix	trans	-69	-46.5	173.8	-69.3	164.2	0	0	0	109.9	A403 A404 N405 E409 I410 L411	A403-I407 VanDerWaalsContact O-CG1 3.29Å; A403-I407 WeakPolarHBondContact O-CG1 3.46Å; A403-I407 PolarHBondContact O-N 3.32Å; A404-I407 WeakPolarHBondContact O-CA 3.41Å; A404-I407 WeakPolarHBondContact O-CB 3.36Å; A404-I407 PolarHBondContact O-N 3.46Å; N405-I407 VanDerWaalsContact C-N 3.28Å; N405-I407 PolarHBondContact O-N 3.41Å; I407-E409 VanDerWaalsContact C-N 3.29Å; I407-E409 PolarHBondContact O-N 3.15Å; I407-I410 PolarHBondContact O-N 3.5Å; I407-L411 HydrophobicContact CG2-CB 4.2Å; I407-L411 HydrophobicContact CG2-CD2 4.09Å; I407-L411 WeakPolarHBondContact O-CA 3.25Å; I407-L411 WeakPolarHBondContact O-CB 3.35Å; I407-L411 PolarHBondContact O-N 2.77Å
408	Y	88.1	Confident	86.9	Confident	178 Å²	178	77.1 Å²	77.1	70%	0.698	38%	0.377	S	S	*	.	H	α-helix	trans	-63.2	-31.7	178.2	-70.2	-60.8	0	0	0	113.5	A404 N405 P412	A404-Y408 HydrophobicContact CB-CD2 4.43Å; A404-Y408 HydrophobicContact CB-CE2 4.18Å; A404-Y408 WeakPolarHBondContact O-CD2 3.34Å; A404-Y408 PolarHBondContact O-N 2.98Å; N405-Y408 PolarHBondContact O-N 2.93Å; N405-Y408 VanDerWaalsContact O-N 3.11Å; Y408-P412 WeakPolarHBondContact O-CD 3.36Å; Y408-P412 WeakPolarHBondContact O-CG 3.19Å
409	E	87.2	Confident	86.2	Confident	128 Å²	128	83.4 Å²	83.4	60%	0.598	41%	0.406	S	S	*	.	H	α-helix	trans	-71.4	-46.7	174	-71.4	160.2	-170	0	0	112.5	N405 I407	N405-E409 WeakPolarHBondContact O-CG 3.24Å; N405-E409 PolarHBondContact O-N 3.2Å; I407-E409 VanDerWaalsContact C-N 3.29Å; I407-E409 PolarHBondContact O-N 3.15Å
410	I	85.6	Confident	85.6	Confident	79 Å²	79	89.3 Å²	89.3	41%	0.405	43%	0.43	S	S	.	.	H	α-helix	trans	-85.7	-36.9	-171.4	-64.6	169.3	0	0	0	112.5	R406 I407 Q413 R414 M639	R406-I410 WeakPolarHBondContact O-CB 3.46Å; R406-I410 WeakPolarHBondContact O-CD1 3.22Å; R406-I410 VanDerWaalsContact O-CG1 3.23Å; R406-I410 WeakPolarHBondContact O-CG1 3.33Å; R406-I410 PolarHBondContact O-N 2.79Å; R406-I410 VanDerWaalsContact O-N 3.1Å; I407-I410 PolarHBondContact O-N 3.5Å; I410-Q413 PolarHBondContact O-N 3.28Å; I410-R414 HydrophobicContact CG2-CG 3.82Å; I410-R414 WeakPolarHBondContact O-CG 3.49Å; I410-R414 PolarHBondContact O-N 3.17Å; I410-M639 HydrophobicContact CG2-CE 4.39Å
411	L	84	Confident	84.7	Confident	43 Å²	43	85.6 Å²	85.6	23%	0.225	42%	0.418	C	S	.	.	H	α-helix	trans	-63.7	-41.5	-168.3	-171.9	67	0	0	0	114.1	I407 Q413 R414 I415 L635 L638 M639	I407-L411 HydrophobicContact CG2-CB 4.2Å; I407-L411 HydrophobicContact CG2-CD2 4.09Å; I407-L411 WeakPolarHBondContact O-CA 3.25Å; I407-L411 WeakPolarHBondContact O-CB 3.35Å; I407-L411 PolarHBondContact O-N 2.77Å; L411-Q413 PolarHBondContact O-N 3.46Å; L411-R414 PolarHBondContact O-N 3.15Å; L411-I415 HydrophobicContact CD1-CD1 4.36Å; L411-I415 HydrophobicContact CD1-CG1 4.35Å; L411-I415 HydrophobicContact CD2-CD1 4.33Å; L411-I415 HydrophobicContact CG-CD1 3.8Å; L411-I415 HydrophobicContact CG-CG1 4.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.19Å; L411-I415 PolarHBondContact O-N 2.99Å; L411-L635 HydrophobicContact CD1-CD1 3.64Å; L411-L638 HydrophobicContact CD1-CD2 3.61Å; L411-M639 HydrophobicContact CD1-CE 3.94Å
412	P	87.8	Confident	83.7	Confident	75 Å²	75	83.7 Å²	83.7	49%	0.487	42%	0.416	S	S	.	.	H	α-helix	trans	-60.5	-44.1	179.3	-24.4	35.3	0	0	0	112.6	Y408 R414 I415 Q416	Y408-P412 WeakPolarHBondContact O-CD 3.36Å; Y408-P412 WeakPolarHBondContact O-CG 3.19Å; P412-R414 VanDerWaalsContact C-N 3.34Å; P412-R414 PolarHBondContact O-N 3.04Å; P412-I415 PolarHBondContact O-N 2.92Å; P412-Q416 PolarHBondContact O-N 2.97Å
413	Q	83.8	Confident	82.9	Confident	125 Å²	125	83.9 Å²	83.9	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-63.5	-40.4	177.1	-62.2	-176.6	0.4	0	0	111.4	I410 L411 Q416 Q417	I410-Q413 PolarHBondContact O-N 3.28Å; L411-Q413 PolarHBondContact O-N 3.46Å; Q413-Q416 PolarHBondContact O-N 3.34Å; Q413-Q417 VanDerWaalsContact O-CG 3.29Å; Q413-Q417 WeakPolarHBondContact O-CG 3.44Å; Q413-Q417 PolarHBondContact O-N 3.33Å
414	R	82.1	Confident	82.5	Confident	57 Å²	57	87.5 Å²	87.5	22%	0.215	43%	0.43	C	S	.	.	H	α-helix	trans	-70.2	-35	177.5	-67.9	-58.4	-161.3	-175.1	7.7	113.2	I410 L411 P412 Q417 W418 L638 M639	I410-R414 HydrophobicContact CG2-CG 3.82Å; I410-R414 WeakPolarHBondContact O-CG 3.49Å; I410-R414 PolarHBondContact O-N 3.17Å; L411-R414 PolarHBondContact O-N 3.15Å; P412-R414 VanDerWaalsContact C-N 3.34Å; P412-R414 PolarHBondContact O-N 3.04Å; R414-Q417 VanDerWaalsContact CD-OE1 3.25Å; R414-W418 PolarHBondContact O-N 3.3Å; R414-L638 HydrophobicContact CB-CD2 3.58Å; R414-M639 HydrophobicContact CB-CE 3.78Å; R414-M639 HydrophobicContact CG-CE 3.72Å
415	I	82.6	Confident	82.1	Confident	64 Å²	64	87.7 Å²	87.7	33%	0.328	43%	0.432	S	S	.	.	H	α-helix	trans	-62.4	-47.2	171	-70.4	164.5	0	0	0	110.1	L411 P412 Q417 W418 Q419 L638	L411-I415 HydrophobicContact CD1-CD1 4.36Å; L411-I415 HydrophobicContact CD1-CG1 4.35Å; L411-I415 HydrophobicContact CD2-CD1 4.33Å; L411-I415 HydrophobicContact CG-CD1 3.8Å; L411-I415 HydrophobicContact CG-CG1 4.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.19Å; L411-I415 PolarHBondContact O-N 2.99Å; P412-I415 PolarHBondContact O-N 2.92Å; I415-Q417 VanDerWaalsContact C-N 3.35Å; I415-Q417 PolarHBondContact O-N 2.85Å; I415-W418 WeakPolarHBondContact O-CB 3.12Å; I415-W418 PolarHBondContact O-N 2.92Å; I415-Q419 WeakPolarHBondContact O-CG 3.43Å; I415-Q419 PolarHBondContact O-N 3.44Å; I415-L638 HydrophobicContact CG1-CD1 3.81Å; I415-L638 HydrophobicContact CG1-CD2 4.36Å
416	Q	83	Confident	81.9	Confident	112 Å²	112	86.6 Å²	86.6	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-62	-42	179.8	-164.3	-177.6	13.9	0	0	111.8	P412 Q413 Q419 Q420	P412-Q416 PolarHBondContact O-N 2.97Å; Q413-Q416 PolarHBondContact O-N 3.34Å; Q416-Q419 PolarHBondContact O-N 2.89Å; Q416-Q420 VanDerWaalsContact O-CG 3.26Å; Q416-Q420 WeakPolarHBondContact O-CG 3.48Å; Q416-Q420 PolarHBondContact O-N 2.89Å
417	Q	79	Confident	81.8	Confident	63 Å²	63	83.7 Å²	83.7	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-41.2	174.4	-73.6	169.5	0.9	0	0	112.7	Q413 R414 I415 Q420 S421	Q413-Q417 VanDerWaalsContact O-CG 3.29Å; Q413-Q417 WeakPolarHBondContact O-CG 3.44Å; Q413-Q417 PolarHBondContact O-N 3.33Å; R414-Q417 VanDerWaalsContact CD-OE1 3.25Å; I415-Q417 VanDerWaalsContact C-N 3.35Å; I415-Q417 PolarHBondContact O-N 2.85Å; Q417-Q420 PolarHBondContact O-N 2.98Å; Q417-S421 PolarHBondContact O-N 3.14Å; Q417-S421 PolarHBondContact O-OG 2.71Å
418	W	78.6	Confident	82	Confident	44 Å²	44	85.8 Å²	85.8	17%	0.167	43%	0.425	C	S	.	.	H	α-helix	trans	-60.6	-45.1	174.4	-175.4	-75.6	0	0	0	111.5	R414 I415 Q420 S421 A637 L638 H641	R414-W418 PolarHBondContact O-N 3.3Å; I415-W418 WeakPolarHBondContact O-CB 3.12Å; I415-W418 PolarHBondContact O-N 2.92Å; W418-Q420 VanDerWaalsContact C-N 3.34Å; W418-Q420 PolarHBondContact O-N 3.04Å; W418-S421 CarbonylContact O-C 3.43Å; W418-S421 PolarHBondContact O-N 3.11Å; W418-A637 HydrophobicContact CH2-CB 4.12Å; W418-A637 HydrophobicContact CZ3-CB 4.21Å; W418-L638 HydrophobicContact CB-CD1 4.47Å; W418-L638 HydrophobicContact CE3-CB 4.2Å; W418-L638 HydrophobicContact CE3-CG 4.34Å; W418-H641 HydrophobicContact CE3-CB 3.66Å; W418-H641 AromaticContact CE3-CG 3.46Å; W418-H641 VanDerWaalsContact CE3-CG 3.46Å; W418-H641 AromaticContact CE3-ND1 3.34Å; W418-H641 VanDerWaalsContact CE3-ND1 3.34Å; W418-H641 HydrophobicContact CZ3-CB 3.85Å; W418-H641 AromaticContact CZ3-CG 3.83Å; W418-H641 AromaticContact CZ3-ND1 3.4Å; W418-H641 WeakPolarHBondContact CZ3-ND1 3.49Å
419	Q	77.6	Confident	82.2	Confident	144 Å²	144	77.6 Å²	77.6	67%	0.673	40%	0.395	S	S	*	.	H	α-helix	trans	-66	-34.3	179	-71.3	172.1	-23.9	0	0	112.9	I415 Q416 S421	I415-Q419 WeakPolarHBondContact O-CG 3.43Å; I415-Q419 PolarHBondContact O-N 3.44Å; Q416-Q419 PolarHBondContact O-N 2.89Å; Q419-S421 VanDerWaalsContact C-N 3.31Å; Q419-S421 PolarHBondContact O-N 3.49Å
420	Q	80.9	Confident	82.5	Confident	133 Å²	133	76 Å²	76	62%	0.621	39%	0.386	S	S	*	.	H	α-helix	trans	-71.6	-21.1	176.3	-74.2	168.3	-3	0	0	114	Q416 Q417 W418	Q416-Q420 VanDerWaalsContact O-CG 3.26Å; Q416-Q420 WeakPolarHBondContact O-CG 3.48Å; Q416-Q420 PolarHBondContact O-N 2.89Å; Q417-Q420 PolarHBondContact O-N 2.98Å; W418-Q420 VanDerWaalsContact C-N 3.34Å; W418-Q420 PolarHBondContact O-N 3.04Å
421	S	72.6	Confident	82.9	Confident	55 Å²	55	77.8 Å²	77.8	39%	0.385	39%	0.391	S	S	.	.	S	Bend	trans	-142.7	82.9	-170.5	55.7	0	0	0	0	111.5	Q417 W418 Q419 C423 H641	Q417-S421 PolarHBondContact O-N 3.14Å; Q417-S421 PolarHBondContact O-OG 2.71Å; W418-S421 CarbonylContact O-C 3.43Å; W418-S421 PolarHBondContact O-N 3.11Å; Q419-S421 VanDerWaalsContact C-N 3.31Å; Q419-S421 PolarHBondContact O-N 3.49Å; S421-C423 PolarHBondContact O-N 3.13Å; S421-H641 PolarHBondContact O-CE1 3.44Å; S421-H641 PolarHBondContact O-NE2 2.72Å; S421-H641 PolarHBondContact OG-NE2 2.83Å
422	P	70	Confident	83.5	Confident	63 Å²	63	79.2 Å²	79.2	41%	0.409	40%	0.398	S	S	.	.			trans	-59.1	132.2	177.6	25.6	-34.2	0	0	0	110.2
423	C	75.7	Confident	83.9	Confident	32 Å²	32	76.6 Å²	76.6	22%	0.216	38%	0.38	C	S	.	.			trans	-71.2	145.9	-176.3	76.6	0	0	0	0	111.3	S421 A425 E426 E427	S421-C423 PolarHBondContact O-N 3.13Å; C423-A425 PolarHBondContact O-N 3.27Å; C423-E426 WeakPolarHBondContact O-CA 3.3Å; C423-E426 WeakPolarHBondContact O-CB 3.48Å; C423-E426 PolarHBondContact O-N 2.86Å; C423-E427 PolarHBondContact O-N 2.93Å; C423-E427 VanDerWaalsContact O-N 3.13Å
424	I	80.9	Confident	84.5	Confident	122 Å²	122	74.8 Å²	74.8	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-52.7	-35.2	-179.5	-63.8	170.3	0	0	0	111.6	E426 E427 H428	I424-E426 VanDerWaalsContact C-N 3.32Å; I424-E426 PolarHBondContact O-N 3.28Å; I424-E427 PolarHBondContact O-N 3.26Å; I424-H428 WeakPolarHBondContact CG2-NE2 3Å; I424-H428 PolarHBondContact O-CD2 3.08Å; I424-H428 PolarHBondContact O-N 3.48Å
425	A	81.8	Confident	85.3	Confident	40 Å²	40	79.6 Å²	79.6	33%	0.331	39%	0.389	S	S	.	.	H	α-helix	trans	-71	-21.1	177.3	0	0	0	0	0	114.5	C423 G429 R632	C423-A425 PolarHBondContact O-N 3.27Å; A425-G429 PolarHBondContact O-N 2.89Å; A425-R632 PolarHBondContact O-NH1 3.38Å
426	E	83.6	Confident	86	Confident	47 Å²	47	76.6 Å²	76.6	22%	0.22	37%	0.374	C	S	.	.	H	α-helix	trans	-83.5	-40.4	171.7	-166.7	-171.5	130	0	0	110.9	C423 I424 G429 K430 M629	C423-E426 WeakPolarHBondContact O-CA 3.3Å; C423-E426 WeakPolarHBondContact O-CB 3.48Å; C423-E426 PolarHBondContact O-N 2.86Å; I424-E426 VanDerWaalsContact C-N 3.32Å; I424-E426 PolarHBondContact O-N 3.28Å; E426-G429 CarbonylContact O-C 3.44Å; E426-G429 WeakPolarHBondContact O-CA 3.32Å; E426-G429 PolarHBondContact O-N 3.49Å; E426-K430 PolarHBondContact O-N 2.78Å; E426-K430 WeakPolarHBondContact OE1-CE 3.39Å; E426-K430 IonicContact OE1-NZ 3.69Å; E426-K430 PolarHBondContact OE1-NZ 2.7Å; E426-M629 HydrophobicContact CG-CE 3.87Å
427	E	87.4	Confident	86.7	Confident	75 Å²	75	77.5 Å²	77.5	35%	0.35	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-48.6	171.1	-78	-164	-154.3	0	0	112.4	C423 I424 G429 K430 K431	C423-E427 PolarHBondContact O-N 2.93Å; C423-E427 VanDerWaalsContact O-N 3.13Å; I424-E427 PolarHBondContact O-N 3.26Å; E427-G429 PolarHBondContact O-N 2.84Å; E427-K430 PolarHBondContact O-N 3.41Å; E427-K431 WeakPolarHBondContact O-CB 3.07Å; E427-K431 WeakPolarHBondContact O-CG 3.4Å; E427-K431 PolarHBondContact O-N 2.92Å; E427-K431 IonicContact OE2-NZ 3.98Å; E427-K431 PolarHBondContact OE2-NZ 3.27Å
428	H	89.8	Confident	87.6	Confident	122 Å²	122	82.6 Å²	82.6	57%	0.565	39%	0.389	S	S	*	.	H	α-helix	trans	-60	-32.9	174	-71.6	-57.5	0	0	0	111.8	I424 L432	I424-H428 WeakPolarHBondContact CG2-NE2 3Å; I424-H428 PolarHBondContact O-CD2 3.08Å; I424-H428 PolarHBondContact O-N 3.48Å; H428-L432 WeakPolarHBondContact O-CB 3.25Å; H428-L432 PolarHBondContact O-N 2.97Å
429	G	92.3	Very high	88.5	Confident	6 Å²	6	84 Å²	84	6%	0.062	40%	0.398	C	S	.	.	H	α-helix	trans	-62.5	-50.4	172.1	0	0	0	0	0	112.3	A425 E426 E427 L432 L433	A425-G429 PolarHBondContact O-N 2.89Å; E426-G429 CarbonylContact O-C 3.44Å; E426-G429 WeakPolarHBondContact O-CA 3.32Å; E426-G429 PolarHBondContact O-N 3.49Å; E427-G429 PolarHBondContact O-N 2.84Å; G429-L432 PolarHBondContact O-N 3.36Å; G429-L433 WeakPolarHBondContact O-CG 3.14Å; G429-L433 PolarHBondContact O-N 2.93Å
430	K	92.6	Very high	89.4	Confident	95 Å²	95	77.5 Å²	77.5	41%	0.413	37%	0.367	S	S	.	.	H	α-helix	trans	-60	-51.7	177	-67.7	170.9	-176.4	167	0	111.5	E426 E427 L432 L433 E434 M629	E426-K430 PolarHBondContact O-N 2.78Å; E426-K430 WeakPolarHBondContact OE1-CE 3.39Å; E426-K430 IonicContact OE1-NZ 3.69Å; E426-K430 PolarHBondContact OE1-NZ 2.7Å; E427-K430 PolarHBondContact O-N 3.41Å; K430-L432 PolarHBondContact O-N 3.15Å; K430-L433 PolarHBondContact O-N 2.89Å; K430-L433 VanDerWaalsContact O-N 3.12Å; K430-E434 PolarHBondContact O-N 3.14Å; K430-M629 HydrophobicContact CG-CE 3.9Å
431	K	95.2	Very high	90.1	Very high	117 Å²	117	76 Å²	76	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-58.9	-32.9	177.5	-70	163.5	177	167.1	0	112.4	E427 R435	E427-K431 WeakPolarHBondContact O-CB 3.07Å; E427-K431 WeakPolarHBondContact O-CG 3.4Å; E427-K431 PolarHBondContact O-N 2.92Å; E427-K431 IonicContact OE2-NZ 3.98Å; E427-K431 PolarHBondContact OE2-NZ 3.27Å; K431-R435 PolarHBondContact O-N 2.99Å
432	L	95.8	Very high	91.3	Very high	72 Å²	72	77.3 Å²	77.3	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-77	-40.7	174.2	-178.9	58.5	0	0	0	112.8	H428 G429 K430 E434 R435 I436 V625	H428-L432 WeakPolarHBondContact O-CB 3.25Å; H428-L432 PolarHBondContact O-N 2.97Å; G429-L432 PolarHBondContact O-N 3.36Å; K430-L432 PolarHBondContact O-N 3.15Å; L432-E434 VanDerWaalsContact C-N 3.32Å; L432-E434 PolarHBondContact O-N 2.95Å; L432-R435 PolarHBondContact O-N 3.47Å; L432-I436 HydrophobicContact CD1-CD1 4.13Å; L432-I436 HydrophobicContact CD1-CG1 4.31Å; L432-I436 HydrophobicContact CG-CD1 3.93Å; L432-I436 WeakPolarHBondContact O-CG1 3.29Å; L432-I436 PolarHBondContact O-N 2.79Å; L432-V625 HydrophobicContact CD2-CG1 4.38Å; L432-V625 HydrophobicContact CD2-CG2 3.59Å; L432-V625 HydrophobicContact CG-CG2 4.1Å
433	L	97	Very high	92.4	Very high	20 Å²	20	74.8 Å²	74.8	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-60.6	-41.3	173.9	-73	175.3	0	0	0	111.6	G429 K430 I436 R437 E622 V625 R626 M629	G429-L433 WeakPolarHBondContact O-CG 3.14Å; G429-L433 PolarHBondContact O-N 2.93Å; K430-L433 PolarHBondContact O-N 2.89Å; K430-L433 VanDerWaalsContact O-N 3.12Å; L433-I436 PolarHBondContact O-N 3.18Å; L433-R437 WeakPolarHBondContact O-CB 3.43Å; L433-R437 VanDerWaalsContact O-CG 3.26Å; L433-R437 WeakPolarHBondContact O-CG 3.23Å; L433-R437 PolarHBondContact O-N 3.01Å; L433-E622 HydrophobicContact CD2-CG 3.5Å; L433-V625 HydrophobicContact CD1-CG1 4.45Å; L433-V625 HydrophobicContact CD2-CB 3.85Å; L433-V625 HydrophobicContact CD2-CG1 3.69Å; L433-V625 HydrophobicContact CG-CB 4.43Å; L433-V625 HydrophobicContact CG-CG1 3.71Å; L433-R626 HydrophobicContact CD1-CG 4.37Å; L433-R626 HydrophobicContact CD2-CG 3.95Å; L433-M629 HydrophobicContact CD1-CE 4.45Å; L433-M629 HydrophobicContact CD1-SD 3.62Å; L433-M629 HydrophobicContact CG-SD 4.35Å
434	E	96.8	Very high	93.3	Very high	87 Å²	87	77.9 Å²	77.9	41%	0.407	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-46.2	172.7	-77.2	-178.3	-122.1	0	0	112.6	K430 L432 R437 R438	K430-E434 PolarHBondContact O-N 3.14Å; L432-E434 VanDerWaalsContact C-N 3.32Å; L432-E434 PolarHBondContact O-N 2.95Å; E434-R437 PolarHBondContact O-N 3.08Å; E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.09Å; E434-R438 PolarHBondContact O-N 3.49Å; E434-R438 IonicContact OE2-CZ 2.65Å; E434-R438 IonicContact OE2-NH2 2.65Å; E434-R438 PolarHBondContact OE2-NH2 3.24Å
435	R	97.9	Very high	93.9	Very high	158 Å²	158	75.5 Å²	75.5	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-59	-49	176.8	-172.8	-173.1	-60.3	-168.5	-1.2	110.9	K431 L432 R437 R438 E439	K431-R435 PolarHBondContact O-N 2.99Å; L432-R435 PolarHBondContact O-N 3.47Å; R435-R437 VanDerWaalsContact C-N 3.31Å; R435-R437 PolarHBondContact O-N 3.49Å; R435-R438 PolarHBondContact O-N 3.26Å; R435-E439 PolarHBondContact O-N 3.17Å
436	I	97.6	Very high	94.5	Very high	2 Å²	2	80.1 Å²	80.1	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-41.3	178.5	-67.5	164.1	0	0	0	110.8	L432 L433 E439 Q440 L618 Q621 E622 V625	L432-I436 HydrophobicContact CD1-CD1 4.13Å; L432-I436 HydrophobicContact CD1-CG1 4.31Å; L432-I436 HydrophobicContact CG-CD1 3.93Å; L432-I436 WeakPolarHBondContact O-CG1 3.29Å; L432-I436 PolarHBondContact O-N 2.79Å; L433-I436 PolarHBondContact O-N 3.18Å; I436-E439 PolarHBondContact O-N 3.1Å; I436-Q440 HydrophobicContact CG2-CG 4.34Å; I436-Q440 WeakPolarHBondContact O-CB 3.32Å; I436-Q440 VanDerWaalsContact O-CG 3.31Å; I436-Q440 WeakPolarHBondContact O-CG 3.46Å; I436-Q440 PolarHBondContact O-N 3.14Å; I436-L618 HydrophobicContact CG2-CB 4.44Å; I436-L618 HydrophobicContact CG2-CD2 4.28Å; I436-L618 VanDerWaalsContact CG2-O 3.28Å; I436-L618 WeakPolarHBondContact CG2-O 3.49Å; I436-Q621 HydrophobicContact CD1-CB 4.02Å; I436-E622 HydrophobicContact CG2-CB 3.88Å; I436-E622 HydrophobicContact CG2-CG 4.29Å; I436-V625 HydrophobicContact CD1-CG2 3.97Å
437	R	97.3	Very high	94.8	Very high	130 Å²	130	79.1 Å²	79.1	49%	0.491	36%	0.357	S	S	.	.	H	α-helix	trans	-64.7	-40.8	176	-73.4	169	178.9	-169.3	-2	112.9	L433 E434 R435 Q440 Q441 E622	L433-R437 WeakPolarHBondContact O-CB 3.43Å; L433-R437 VanDerWaalsContact O-CG 3.26Å; L433-R437 WeakPolarHBondContact O-CG 3.23Å; L433-R437 PolarHBondContact O-N 3.01Å; E434-R437 PolarHBondContact O-N 3.08Å; R435-R437 VanDerWaalsContact C-N 3.31Å; R435-R437 PolarHBondContact O-N 3.49Å; R437-Q440 PolarHBondContact O-N 2.85Å; R437-Q441 PolarHBondContact O-N 3.11Å; R437-E622 IonicContact CZ-OE1 2.83Å; R437-E622 IonicContact NE-OE1 2.62Å; R437-E622 PolarHBondContact NE-OE1 2.87Å; R437-E622 IonicContact NH2-OE1 2.71Å
438	R	97.6	Very high	95	Very high	171 Å²	171	81.5 Å²	81.5	65%	0.645	37%	0.368	S	S	*	.	H	α-helix	trans	-63.6	-41.3	174.1	-65.5	168.7	-155.8	-114	8.7	110.9	E434 R435 Q441 S442	E434-R438 VanDerWaalsContact O-CG 3.27Å; E434-R438 WeakPolarHBondContact O-CG 3.09Å; E434-R438 PolarHBondContact O-N 3.49Å; E434-R438 IonicContact OE2-CZ 2.65Å; E434-R438 IonicContact OE2-NH2 2.65Å; E434-R438 PolarHBondContact OE2-NH2 3.24Å; R435-R438 PolarHBondContact O-N 3.26Å; R438-Q441 PolarHBondContact O-N 3.15Å; R438-S442 WeakPolarHBondContact O-CB 3.25Å; R438-S442 PolarHBondContact O-N 3.01Å
439	E	97.3	Very high	95.1	Very high	73 Å²	73	78.2 Å²	78.2	34%	0.341	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-42.2	173	-74.7	-176.2	-125	0	0	112.8	R435 I436 Q441 S442 A443 K614 L618	R435-E439 PolarHBondContact O-N 3.17Å; I436-E439 PolarHBondContact O-N 3.1Å; E439-Q441 PolarHBondContact O-N 2.8Å; E439-S442 PolarHBondContact O-N 2.94Å; E439-A443 WeakPolarHBondContact O-CB 3.18Å; E439-A443 PolarHBondContact O-N 3.44Å; E439-K614 IonicContact OE2-NZ 2.7Å; E439-L618 HydrophobicContact CB-CD1 3.81Å; E439-L618 HydrophobicContact CB-CD2 3.7Å; E439-L618 HydrophobicContact CB-CG 4.42Å
440	Q	96.6	Very high	95	Very high	8 Å²	8	78.8 Å²	78.8	4%	0.037	35%	0.354	C	S	.	.	H	α-helix	trans	-59.3	-45.6	175.3	-76.3	177	12.5	0	0	110.9	I436 R437 A443 R444 L615 L618 E622	I436-Q440 HydrophobicContact CG2-CG 4.34Å; I436-Q440 WeakPolarHBondContact O-CB 3.32Å; I436-Q440 VanDerWaalsContact O-CG 3.31Å; I436-Q440 WeakPolarHBondContact O-CG 3.46Å; I436-Q440 PolarHBondContact O-N 3.14Å; R437-Q440 PolarHBondContact O-N 2.85Å; Q440-A443 PolarHBondContact O-N 3.37Å; Q440-R444 WeakPolarHBondContact O-CG 3.36Å; Q440-R444 PolarHBondContact O-N 3.35Å; Q440-L615 HydrophobicContact CB-CD1 4.08Å; Q440-L615 HydrophobicContact CG-CD1 4.15Å; Q440-L618 HydrophobicContact CG-CB 3.74Å; Q440-L618 HydrophobicContact CG-CD1 4.46Å; Q440-L618 PolarHBondContact NE2-O 3.02Å; Q440-E622 PolarHBondContact NE2-OE2 3.34Å
441	Q	96.6	Very high	94.9	Very high	101 Å²	101	76 Å²	76	47%	0.472	34%	0.343	S	S	.	.	H	α-helix	trans	-66.6	-42.4	179.7	-169.9	63.8	8.4	0	0	111.7	R437 R438 E439 A443 R444 T445	R437-Q441 PolarHBondContact O-N 3.11Å; R438-Q441 PolarHBondContact O-N 3.15Å; E439-Q441 PolarHBondContact O-N 2.8Å; Q441-A443 VanDerWaalsContact C-N 3.33Å; Q441-A443 PolarHBondContact O-N 2.65Å; Q441-R444 PolarHBondContact O-N 2.68Å; Q441-T445 PolarHBondContact O-N 3.37Å; Q441-T445 PolarHBondContact O-OG1 2.78Å
442	S	97	Very high	94.7	Very high	82 Å²	82	75.7 Å²	75.7	57%	0.573	34%	0.338	S	S	*	.	H	α-helix	trans	-58.5	-42.6	172.8	-177.4	0	0	0	0	112.2	R438 E439 T445 R446	R438-S442 WeakPolarHBondContact O-CB 3.25Å; R438-S442 PolarHBondContact O-N 3.01Å; E439-S442 PolarHBondContact O-N 2.94Å; S442-T445 PolarHBondContact O-N 3.03Å; S442-R446 WeakPolarHBondContact O-CB 3.3Å; S442-R446 PolarHBondContact O-N 3.47Å
443	A	94.6	Very high	94.4	Very high	10 Å²	10	76.7 Å²	76.7	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-64.7	-39.4	175.3	0	0	0	0	0	112.8	E439 Q440 Q441 R446 L447 V611 L615 L618	E439-A443 WeakPolarHBondContact O-CB 3.18Å; E439-A443 PolarHBondContact O-N 3.44Å; Q440-A443 PolarHBondContact O-N 3.37Å; Q441-A443 VanDerWaalsContact C-N 3.33Å; Q441-A443 PolarHBondContact O-N 2.65Å; A443-R446 PolarHBondContact O-N 3.13Å; A443-L447 WeakPolarHBondContact O-CB 3.36Å; A443-L447 PolarHBondContact O-N 3.06Å; A443-V611 HydrophobicContact CB-CG1 4.46Å; A443-V611 WeakPolarHBondContact O-CG1 3.38Å; A443-L615 HydrophobicContact CB-CB 4.39Å; A443-L615 HydrophobicContact CB-CD1 4.31Å; A443-L618 HydrophobicContact CB-CD1 4.33Å
444	R	93.4	Very high	94	Very high	97 Å²	97	77.2 Å²	77.2	37%	0.366	34%	0.339	S	S	.	.	H	α-helix	trans	-62.8	-48.8	174.6	-71.2	169	-173.3	170.8	0.7	111.9	Q440 Q441 R446 L447 Q448 L615	Q440-R444 WeakPolarHBondContact O-CG 3.36Å; Q440-R444 PolarHBondContact O-N 3.35Å; Q441-R444 PolarHBondContact O-N 2.68Å; R444-R446 VanDerWaalsContact C-N 3.32Å; R444-R446 PolarHBondContact O-N 2.99Å; R444-L447 WeakPolarHBondContact O-CB 3.39Å; R444-L447 PolarHBondContact O-N 3.2Å; R444-L447 VanDerWaalsContact O-N 3.09Å; R444-Q448 WeakPolarHBondContact O-CG 3.29Å; R444-Q448 PolarHBondContact O-N 2.9Å; R444-L615 HydrophobicContact CG-CD1 4.25Å; R444-L615 HydrophobicContact CG-CD2 4.09Å
445	T	94.5	Very high	93.7	Very high	72 Å²	72	78.3 Å²	78.3	44%	0.442	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-38.8	177.4	-58.4	0	0	0	0	111.6	Q441 S442 L447 Q448 E449	Q441-T445 PolarHBondContact O-N 3.37Å; Q441-T445 PolarHBondContact O-OG1 2.78Å; S442-T445 PolarHBondContact O-N 3.03Å; T445-L447 VanDerWaalsContact C-N 3.33Å; T445-L447 PolarHBondContact O-N 2.76Å; T445-Q448 PolarHBondContact O-N 2.99Å; T445-E449 WeakPolarHBondContact O-CB 3.29Å; T445-E449 PolarHBondContact O-N 2.69Å
446	R	92.8	Very high	93.4	Very high	138 Å²	138	74.1 Å²	74.1	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-34.9	173	-172.1	178.5	174.6	137.7	-4.5	112.6	S442 A443 R444 M450 E607 V611	S442-R446 WeakPolarHBondContact O-CB 3.3Å; S442-R446 PolarHBondContact O-N 3.47Å; A443-R446 PolarHBondContact O-N 3.13Å; R444-R446 VanDerWaalsContact C-N 3.32Å; R444-R446 PolarHBondContact O-N 2.99Å; R446-M450 WeakPolarHBondContact O-CG 3.49Å; R446-M450 PolarHBondContact O-N 2.96Å; R446-E607 IonicContact CZ-OE1 3.71Å; R446-E607 IonicContact NE-OE1 3.3Å; R446-E607 IonicContact NH2-OE1 2.73Å; R446-E607 PolarHBondContact NH2-OE1 3.18Å; R446-V611 HydrophobicContact CB-CG1 4.19Å; R446-V611 HydrophobicContact CG-CG1 4.33Å; R446-V611 HydrophobicContact CG-CG2 3.85Å
447	L	91.1	Very high	93	Very high	26 Å²	26	74 Å²	74	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-67.7	-47	176.2	-173.6	60.6	0	0	0	111	A443 R444 T445 E449 M450 E451 R608 V611	A443-L447 WeakPolarHBondContact O-CB 3.36Å; A443-L447 PolarHBondContact O-N 3.06Å; R444-L447 WeakPolarHBondContact O-CB 3.39Å; R444-L447 PolarHBondContact O-N 3.2Å; R444-L447 VanDerWaalsContact O-N 3.09Å; T445-L447 VanDerWaalsContact C-N 3.33Å; T445-L447 PolarHBondContact O-N 2.76Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 3.05Å; L447-M450 PolarHBondContact O-N 3.42Å; L447-M450 VanDerWaalsContact O-N 3.11Å; L447-E451 WeakPolarHBondContact O-CG 3.22Å; L447-E451 PolarHBondContact O-N 2.85Å; L447-R608 HydrophobicContact CD1-CB 4.16Å; L447-R608 HydrophobicContact CD1-CG 4.4Å; L447-V611 HydrophobicContact CB-CG1 3.91Å
448	Q	91.3	Very high	92.6	Very high	125 Å²	125	70.5 Å²	70.5	58%	0.584	32%	0.319	S	S	*	.	H	α-helix	trans	-56.7	-42.2	173.9	-68.9	170.7	-36.1	0	0	111.9	R444 T445 E451 R452	R444-Q448 WeakPolarHBondContact O-CG 3.29Å; R444-Q448 PolarHBondContact O-N 2.9Å; T445-Q448 PolarHBondContact O-N 2.99Å; Q448-E451 PolarHBondContact O-N 3.44Å; Q448-R452 PolarHBondContact O-N 2.69Å
449	E	92.6	Very high	92.3	Very high	52 Å²	52	64.2 Å²	64.2	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-37.8	175.4	166	56.3	-168.6	0	0	112.7	T445 L447 E451 R452 R453	T445-E449 WeakPolarHBondContact O-CB 3.29Å; T445-E449 PolarHBondContact O-N 2.69Å; L447-E449 VanDerWaalsContact C-N 3.29Å; L447-E449 PolarHBondContact O-N 3.05Å; E449-E451 VanDerWaalsContact C-N 3.33Å; E449-R452 IonicContact OE1-CZ 3.23Å; E449-R452 IonicContact OE1-NH2 2.71Å; E449-R452 PolarHBondContact OE1-NH2 3.33Å; E449-R452 IonicContact OE2-CZ 3.71Å; E449-R452 IonicContact OE2-NE 3.67Å; E449-R452 PolarHBondContact OE2-NE 3.22Å; E449-R452 IonicContact OE2-NH2 3.23Å; E449-R452 PolarHBondContact OE2-NH2 2.85Å; E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 2.93Å; E449-R453 VanDerWaalsContact O-N 3.15Å; E449-R453 IonicContact OE1-CZ 2.83Å; E449-R453 IonicContact OE1-NE 3.5Å; E449-R453 PolarHBondContact OE1-NE 2.91Å; E449-R453 IonicContact OE1-NH2 3.62Å; E449-R453 PolarHBondContact OE1-NH2 2.93Å
450	M	89.3	Confident	91.9	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.089	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-30.8	171.9	-66.1	-58.7	96.2	0	0	112.5	R446 L447 R453 F454 V604 E607 R608	R446-M450 WeakPolarHBondContact O-CG 3.49Å; R446-M450 PolarHBondContact O-N 2.96Å; L447-M450 PolarHBondContact O-N 3.42Å; L447-M450 VanDerWaalsContact O-N 3.11Å; M450-R453 PolarHBondContact O-N 3.18Å; M450-F454 PolarHBondContact O-N 3.4Å; M450-V604 WeakPolarHBondContact O-CG1 3.36Å; M450-E607 HydrophobicContact CG-CG 4.08Å; M450-E607 HydrophobicContact SD-CB 4.05Å; M450-E607 HydrophobicContact SD-CG 3.51Å; M450-E607 VanDerWaalsContact SD-CG 3.51Å; M450-R608 HydrophobicContact CB-CG 3.53Å; M450-R608 HydrophobicContact CG-CG 4.42Å
451	E	90.2	Very high	91.5	Very high	36 Å²	36	60.9 Å²	60.9	17%	0.168	29%	0.289	C	S	.	.	H	α-helix	trans	-74.3	-34.9	175.8	-70.7	-176.2	146.8	0	0	112.2	L447 Q448 E449 F454 H455 A529 R608	L447-E451 WeakPolarHBondContact O-CG 3.22Å; L447-E451 PolarHBondContact O-N 2.85Å; Q448-E451 PolarHBondContact O-N 3.44Å; E449-E451 VanDerWaalsContact C-N 3.33Å; E451-F454 WeakPolarHBondContact O-CB 3.36Å; E451-F454 PolarHBondContact O-N 2.9Å; E451-H455 PolarHBondContact O-N 2.79Å; E451-H455 VanDerWaalsContact O-N 3.15Å; E451-H455 PolarHBondContact O-ND1 2.74Å; E451-A529 VanDerWaalsContact OE1-CA 3.3Å; E451-A529 WeakPolarHBondContact OE1-CA 3.38Å; E451-A529 VanDerWaalsContact OE1-CB 3.29Å; E451-A529 WeakPolarHBondContact OE1-CB 3Å; E451-R608 IonicContact OE1-CZ 2.74Å; E451-R608 IonicContact OE1-NE 2.69Å; E451-R608 IonicContact OE1-NH2 2.71Å; E451-R608 PolarHBondContact OE1-NH2 3.28Å
452	R	91.2	Very high	91.2	Very high	111 Å²	111	61 Å²	61	42%	0.419	29%	0.292	S	S	.	.	H	α-helix	trans	-56.7	-50.4	166.3	-174.7	-175.4	66.4	82.9	4.5	110.8	Q448 E449 F454 H455 E456	Q448-R452 PolarHBondContact O-N 2.69Å; E449-R452 IonicContact OE1-CZ 3.23Å; E449-R452 IonicContact OE1-NH2 2.71Å; E449-R452 PolarHBondContact OE1-NH2 3.33Å; E449-R452 IonicContact OE2-CZ 3.71Å; E449-R452 IonicContact OE2-NE 3.67Å; E449-R452 PolarHBondContact OE2-NE 3.22Å; E449-R452 IonicContact OE2-NH2 3.23Å; E449-R452 PolarHBondContact OE2-NH2 2.85Å; R452-F454 VanDerWaalsContact C-N 3.29Å; R452-F454 PolarHBondContact O-N 2.98Å; R452-H455 PolarHBondContact O-N 2.72Å; R452-E456 WeakPolarHBondContact CG-OE1 3.33Å; R452-E456 IonicContact CZ-OE1 2.78Å; R452-E456 IonicContact CZ-OE2 3.79Å; R452-E456 IonicContact NH1-OE1 3.22Å; R452-E456 PolarHBondContact NH1-OE1 3.45Å; R452-E456 IonicContact NH1-OE2 2.71Å; R452-E456 PolarHBondContact NH1-OE2 3.28Å; R452-E456 WeakPolarHBondContact O-CG 3.46Å; R452-E456 PolarHBondContact O-N 3.48Å
453	R	89.4	Confident	90.8	Very high	94 Å²	94	62.1 Å²	62.1	36%	0.355	28%	0.284	S	S	.	.	H	α-helix	trans	-61.2	-33.7	177.5	-69.4	-179.6	-164.4	-149.3	-0.3	113.6	E449 M450 L457 F576	E449-R453 WeakPolarHBondContact O-CG 3.47Å; E449-R453 PolarHBondContact O-N 2.93Å; E449-R453 VanDerWaalsContact O-N 3.15Å; E449-R453 IonicContact OE1-CZ 2.83Å; E449-R453 IonicContact OE1-NE 3.5Å; E449-R453 PolarHBondContact OE1-NE 2.91Å; E449-R453 IonicContact OE1-NH2 3.62Å; E449-R453 PolarHBondContact OE1-NH2 2.93Å; M450-R453 PolarHBondContact O-N 3.18Å; R453-L457 WeakPolarHBondContact O-CB 3.44Å; R453-L457 PolarHBondContact O-N 3.36Å; R453-F576 HydrophobicContact CB-CE1 4.24Å; R453-F576 HydrophobicContact CB-CZ 4.3Å; R453-F576 HydrophobicContact CG-CE1 4.42Å
454	F	89.6	Confident	90.5	Very high	30 Å²	30	61.7 Å²	61.7	13%	0.132	28%	0.28	C	S	.	.	H	α-helix	trans	-62.3	-49.8	173.5	-179.9	-87.2	0	0	0	111.2	M450 E451 R452 E456 L457 E458 T530 V604	M450-F454 PolarHBondContact O-N 3.4Å; E451-F454 WeakPolarHBondContact O-CB 3.36Å; E451-F454 PolarHBondContact O-N 2.9Å; R452-F454 VanDerWaalsContact C-N 3.29Å; R452-F454 PolarHBondContact O-N 2.98Å; F454-E456 VanDerWaalsContact C-N 3.34Å; F454-E456 PolarHBondContact O-N 3.39Å; F454-L457 PolarHBondContact O-N 3.34Å; F454-E458 HydrophobicContact CD1-CG 4.45Å; F454-E458 HydrophobicContact CE1-CG 4.03Å; F454-E458 HydrophobicContact CZ-CG 4.33Å; F454-E458 PolarHBondContact O-N 3.21Å; F454-T530 HydrophobicContact CD1-CG2 4.48Å; F454-T530 HydrophobicContact CE1-CG2 4.11Å; F454-V604 HydrophobicContact CB-CG1 3.98Å; F454-V604 HydrophobicContact CD2-CG1 4.47Å
455	H	90.8	Very high	90.2	Very high	111 Å²	111	61.2 Å²	61.2	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-36.1	178.1	-66.8	93.4	0	0	0	112.4	E451 R452 E458 A459	E451-H455 PolarHBondContact O-N 2.79Å; E451-H455 VanDerWaalsContact O-N 3.15Å; E451-H455 PolarHBondContact O-ND1 2.74Å; R452-H455 PolarHBondContact O-N 2.72Å; H455-E458 PolarHBondContact O-N 3.11Å; H455-A459 WeakPolarHBondContact O-CB 3.07Å; H455-A459 PolarHBondContact O-N 3.41Å
456	E	90.7	Very high	89.8	Confident	70 Å²	70	64.3 Å²	64.3	33%	0.327	29%	0.29	S	S	.	.	H	α-helix	trans	-65.6	-39.5	174.2	-75	170.1	-176.8	0	0	112.4	R452 F454 A459 I460	R452-E456 WeakPolarHBondContact CG-OE1 3.33Å; R452-E456 IonicContact CZ-OE1 2.78Å; R452-E456 IonicContact CZ-OE2 3.79Å; R452-E456 IonicContact NH1-OE1 3.22Å; R452-E456 PolarHBondContact NH1-OE1 3.45Å; R452-E456 IonicContact NH1-OE2 2.71Å; R452-E456 PolarHBondContact NH1-OE2 3.28Å; R452-E456 WeakPolarHBondContact O-CG 3.46Å; R452-E456 PolarHBondContact O-N 3.48Å; F454-E456 VanDerWaalsContact C-N 3.34Å; F454-E456 PolarHBondContact O-N 3.39Å; E456-A459 PolarHBondContact O-N 3.11Å; E456-I460 WeakPolarHBondContact O-CB 3.15Å; E456-I460 WeakPolarHBondContact O-CD1 3.16Å; E456-I460 VanDerWaalsContact O-CG1 3.22Å; E456-I460 WeakPolarHBondContact O-CG1 3.22Å; E456-I460 PolarHBondContact O-N 3.47Å
457	L	88.8	Confident	89.4	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-45.6	173.2	178.3	63	0	0	0	111.6	R453 F454 A459 I460 I461 V575 W596 R600 R601 V604	R453-L457 WeakPolarHBondContact O-CB 3.44Å; R453-L457 PolarHBondContact O-N 3.36Å; F454-L457 PolarHBondContact O-N 3.34Å; L457-A459 VanDerWaalsContact C-N 3.32Å; L457-A459 PolarHBondContact O-N 3.24Å; L457-I460 PolarHBondContact O-N 3.08Å; L457-I461 HydrophobicContact CD1-CD1 4.01Å; L457-I461 HydrophobicContact CD1-CG1 4.35Å; L457-I461 HydrophobicContact CG-CD1 3.9Å; L457-I461 WeakPolarHBondContact O-CB 3.4Å; L457-I461 VanDerWaalsContact O-CG1 3.24Å; L457-I461 WeakPolarHBondContact O-CG1 3.47Å; L457-I461 PolarHBondContact O-N 3.16Å; L457-V575 HydrophobicContact CD1-CG1 4.11Å; L457-W596 HydrophobicContact CD1-CZ3 4.24Å; L457-R600 HydrophobicContact CD1-CB 4.03Å; L457-R600 HydrophobicContact CD2-CB 3.79Å; L457-R601 HydrophobicContact CD2-CG 4.04Å; L457-V604 HydrophobicContact CD2-CG2 4.42Å
458	E	90.4	Very high	89	Confident	56 Å²	56	63 Å²	63	26%	0.262	30%	0.302	S	S	.	.	H	α-helix	trans	-63.3	-38	174.9	-66	-52.3	138.8	0	0	112.1	F454 H455 I461 L462 R601	F454-E458 HydrophobicContact CD1-CG 4.45Å; F454-E458 HydrophobicContact CE1-CG 4.03Å; F454-E458 HydrophobicContact CZ-CG 4.33Å; F454-E458 PolarHBondContact O-N 3.21Å; H455-E458 PolarHBondContact O-N 3.11Å; E458-I461 PolarHBondContact O-N 2.71Å; E458-L462 WeakPolarHBondContact O-CB 3.45Å; E458-L462 PolarHBondContact O-N 2.69Å; E458-R601 WeakPolarHBondContact OE1-CG 3.3Å; E458-R601 IonicContact OE1-CZ 3.59Å; E458-R601 IonicContact OE1-NE 2.84Å; E458-R601 PolarHBondContact OE1-NE 2.99Å; E458-R601 IonicContact OE1-NH2 3.77Å; E458-R601 PolarHBondContact OE1-NH2 2.92Å; E458-R601 IonicContact OE2-CZ 2.63Å; E458-R601 IonicContact OE2-NE 2.64Å; E458-R601 IonicContact OE2-NH2 2.68Å; E458-R601 PolarHBondContact OE2-NH2 3.33Å
459	A	90.8	Very high	88.5	Confident	39 Å²	39	59 Å²	59	32%	0.322	29%	0.286	S	S	.	.	H	α-helix	trans	-67	-37.6	175.3	0	0	0	0	0	112.6	H455 E456 L457 L462 R463	H455-A459 WeakPolarHBondContact O-CB 3.07Å; H455-A459 PolarHBondContact O-N 3.41Å; E456-A459 PolarHBondContact O-N 3.11Å; L457-A459 VanDerWaalsContact C-N 3.32Å; L457-A459 PolarHBondContact O-N 3.24Å; A459-L462 PolarHBondContact O-N 2.83Å; A459-R463 VanDerWaalsContact C-NH1 3.34Å; A459-R463 WeakPolarHBondContact O-CG 3.38Å; A459-R463 PolarHBondContact O-N 2.9Å; A459-R463 PolarHBondContact O-NH1 3.15Å; A459-R463 VanDerWaalsContact O-NH1 3.15Å
460	I	89.1	Confident	87.7	Confident	9 Å²	9	64.4 Å²	64.4	5%	0.046	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-48.5	171.4	-73.3	163.2	0	0	0	109.8	E456 L457 L462 R463 A464 P570 V575 F582	E456-I460 WeakPolarHBondContact O-CB 3.15Å; E456-I460 WeakPolarHBondContact O-CD1 3.16Å; E456-I460 VanDerWaalsContact O-CG1 3.22Å; E456-I460 WeakPolarHBondContact O-CG1 3.22Å; E456-I460 PolarHBondContact O-N 3.47Å; L457-I460 PolarHBondContact O-N 3.08Å; I460-L462 VanDerWaalsContact C-N 3.33Å; I460-L462 PolarHBondContact O-N 2.78Å; I460-R463 PolarHBondContact O-N 3.44Å; I460-A464 WeakPolarHBondContact O-CB 3.44Å; I460-A464 PolarHBondContact O-N 3.12Å; I460-P570 HydrophobicContact CG2-CG 3.57Å; I460-V575 HydrophobicContact CD1-CG1 4.28Å; I460-F582 HydrophobicContact CG2-CE1 4.17Å
461	I	88.3	Confident	86.2	Confident	2 Å²	2	72 Å²	72	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-39.5	179.1	-70.4	168	0	0	0	111.4	L457 E458 A464 K465 W596 E597	L457-I461 HydrophobicContact CD1-CD1 4.01Å; L457-I461 HydrophobicContact CD1-CG1 4.35Å; L457-I461 HydrophobicContact CG-CD1 3.9Å; L457-I461 WeakPolarHBondContact O-CB 3.4Å; L457-I461 VanDerWaalsContact O-CG1 3.24Å; L457-I461 WeakPolarHBondContact O-CG1 3.47Å; L457-I461 PolarHBondContact O-N 3.16Å; E458-I461 PolarHBondContact O-N 2.71Å; I461-A464 PolarHBondContact O-N 3.3Å; I461-K465 HydrophobicContact CG2-CD 4.06Å; I461-K465 VanDerWaalsContact O-CG 3.31Å; I461-K465 WeakPolarHBondContact O-CG 3.19Å; I461-K465 PolarHBondContact O-N 2.92Å; I461-W596 HydrophobicContact CD1-CH2 4.35Å; I461-W596 HydrophobicContact CG1-CH2 3.52Å; I461-W596 HydrophobicContact CG1-CZ2 4.09Å; I461-W596 HydrophobicContact CG1-CZ3 4.22Å; I461-E597 HydrophobicContact CD1-CB 3.91Å; I461-E597 HydrophobicContact CD1-CG 3.92Å; I461-E597 HydrophobicContact CG1-CG 4.06Å; I461-E597 HydrophobicContact CG2-CG 4.25Å
462	L	89.4	Confident	84.3	Confident	104 Å²	104	74 Å²	74	55%	0.545	35%	0.352	S	S	.	.	H	α-helix	trans	-66.4	-45.6	177.4	-176	63.1	0	0	0	112	E458 A459 I460 A464 K465 Q466	E458-L462 WeakPolarHBondContact O-CB 3.45Å; E458-L462 PolarHBondContact O-N 2.69Å; A459-L462 PolarHBondContact O-N 2.83Å; I460-L462 VanDerWaalsContact C-N 3.33Å; I460-L462 PolarHBondContact O-N 2.78Å; L462-A464 VanDerWaalsContact C-N 3.29Å; L462-A464 PolarHBondContact O-N 3.36Å; L462-K465 PolarHBondContact O-N 2.85Å; L462-Q466 WeakPolarHBondContact O-CG 3.32Å; L462-Q466 PolarHBondContact O-N 2.84Å
463	R	88.8	Confident	82.3	Confident	104 Å²	104	78.1 Å²	78.1	39%	0.392	38%	0.375	S	S	.	.	H	α-helix	trans	-62.2	-37.4	173.6	-70.6	-169.2	-54.1	-84.7	10.7	112.1	A459 I460 Q466 F582	A459-R463 VanDerWaalsContact C-NH1 3.34Å; A459-R463 WeakPolarHBondContact O-CG 3.38Å; A459-R463 PolarHBondContact O-N 2.9Å; A459-R463 PolarHBondContact O-NH1 3.15Å; A459-R463 VanDerWaalsContact O-NH1 3.15Å; I460-R463 PolarHBondContact O-N 3.44Å; R463-Q466 PolarHBondContact O-N 3.41Å; R463-F582 HydrophobicContact CB-CZ 4.23Å
464	A	87.6	Confident	80.1	Confident	1 Å²	1	82 Å²	82	1%	0.008	40%	0.398	C	S	.	.	H	α-helix	trans	-63.8	-45.1	177.9	0	0	0	0	0	112	I460 I461 L462 Q466 Q467 V566 G568 F582	I460-A464 WeakPolarHBondContact O-CB 3.44Å; I460-A464 PolarHBondContact O-N 3.12Å; I461-A464 PolarHBondContact O-N 3.3Å; L462-A464 VanDerWaalsContact C-N 3.29Å; L462-A464 PolarHBondContact O-N 3.36Å; A464-Q466 PolarHBondContact O-N 3.06Å; A464-Q466 VanDerWaalsContact O-N 3.14Å; A464-Q467 WeakPolarHBondContact O-CB 3.47Å; A464-Q467 WeakPolarHBondContact O-CG 3.47Å; A464-Q467 PolarHBondContact O-N 2.85Å; A464-V566 WeakPolarHBondContact O-CG2 3.07Å; A464-G568 VanDerWaalsContact CB-O 3.22Å; A464-G568 WeakPolarHBondContact CB-O 3.38Å; A464-F582 HydrophobicContact CB-CD1 3.58Å; A464-F582 HydrophobicContact CB-CE1 3.64Å; A464-F582 HydrophobicContact CB-CG 4.19Å; A464-F582 HydrophobicContact CB-CZ 4.31Å
465	K	86.8	Confident	78	Confident	87 Å²	87	86.1 Å²	86.1	38%	0.378	43%	0.43	S	S	.	.	H	α-helix	trans	-63.8	-14.1	177.7	-71.7	163.3	-172.9	-93.5	0	114.6	I461 L462 E565 E597	I461-K465 HydrophobicContact CG2-CD 4.06Å; I461-K465 VanDerWaalsContact O-CG 3.31Å; I461-K465 WeakPolarHBondContact O-CG 3.19Å; I461-K465 PolarHBondContact O-N 2.92Å; L462-K465 PolarHBondContact O-N 2.85Å; K465-E565 HydrophobicContact CG-CG 4.46Å; K465-E565 IonicContact NZ-OE1 3.63Å; K465-E565 PolarHBondContact NZ-OE1 3.21Å; K465-E597 IonicContact NZ-OE1 3.58Å; K465-E597 IonicContact NZ-OE2 3.35Å
466	Q	86.9	Confident	75.6	Confident	138 Å²	138	87.5 Å²	87.5	65%	0.645	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-6.3	175.3	-66.5	166.3	-6.9	0	0	112.8	L462 R463 A464	L462-Q466 WeakPolarHBondContact O-CG 3.32Å; L462-Q466 PolarHBondContact O-N 2.84Å; R463-Q466 PolarHBondContact O-N 3.41Å; A464-Q466 PolarHBondContact O-N 3.06Å; A464-Q466 VanDerWaalsContact O-N 3.14Å
467	Q	84.4	Confident	73.4	Confident	62 Å²	62	93.2 Å²	93.2	29%	0.29	47%	0.468	S	S	.	.	S	Bend	trans	-78.8	139.2	175.2	-58.8	-61.4	-60.7	0	0	111	A464 V566 F582	A464-Q467 WeakPolarHBondContact O-CB 3.47Å; A464-Q467 WeakPolarHBondContact O-CG 3.47Å; A464-Q467 PolarHBondContact O-N 2.85Å; Q467-V566 HydrophobicContact CB-CG1 4.41Å; Q467-V566 HydrophobicContact CB-CG2 4.19Å; Q467-V566 VanDerWaalsContact O-CG1 3.27Å; Q467-V566 WeakPolarHBondContact O-CG1 3.39Å; Q467-F582 HydrophobicContact CG-CB 4.45Å; Q467-F582 HydrophobicContact CG-CD2 3.93Å; Q467-F582 HydrophobicContact CG-CG 4.47Å
468	A	82.3	Confident	71	Confident	73 Å²	73	96.4 Å²	96.4	60%	0.603	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-67.4	144.6	170.9	0	0	0	0	0	111.5	V566	A468-V566 WeakPolarHBondContact O-CG1 3.34Å
469	V	80.6	Confident	68.8	Low	43 Å²	43	101.5 Å²	101.5	26%	0.261	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-62.9	139.8	167.9	167.6	0	0	0	0	109.5	D564 V566 R584 P586	V469-D564 VanDerWaalsContact CG2-O 3.31Å; V469-D564 WeakPolarHBondContact CG2-O 3.49Å; V469-V566 HydrophobicContact CB-CG1 4.29Å; V469-V566 HydrophobicContact CG2-CG1 3.65Å; V469-R584 WeakPolarHBondContact CA-O 3.24Å; V469-P586 HydrophobicContact CG1-CG 3.81Å
470	R	77.1	Confident	66.5	Low	164 Å²	164	104.4 Å²	104.4	62%	0.619	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-81.3	119	164.6	-172.7	-178.9	-170.4	-155.2	5.6	108.4	D472 R584	R470-D472 WeakPolarHBondContact CD-OD1 3.2Å; R470-D472 IonicContact CZ-OD1 3.42Å; R470-D472 IonicContact NE-OD1 3.56Å; R470-D472 IonicContact NH1-OD1 2.69Å; R470-D472 PolarHBondContact NH1-OD1 2.71Å; R470-R584 HydrophobicContact CB-CB 4.24Å; R470-R584 PolarHBondContact N-O 2.81Å
471	E	57.7	Low	64.4	Low	178 Å²	178	110.2 Å²	110.2	83%	0.832	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-76	123	161.6	-62.1	-179.4	150.1	0	0	107.5
472	D	49.7	Very low	62.6	Low	79 Å²	79	112.4 Å²	112.4	42%	0.422	59%	0.59	S	S	.	*			trans	-97.3	108.3	176.1	-70.3	-44	0	0	0	108.1	R470 E474	R470-D472 WeakPolarHBondContact CD-OD1 3.2Å; R470-D472 IonicContact CZ-OD1 3.42Å; R470-D472 IonicContact NE-OD1 3.56Å; R470-D472 IonicContact NH1-OD1 2.69Å; R470-D472 PolarHBondContact NH1-OD1 2.71Å; D472-E474 PolarHBondContact O-N 2.89Å
473	E	48.5	Very low	60.9	Low	197 Å²	197	112.2 Å²	112.2	92%	0.921	59%	0.594	S	S	*	*	S	Bend	trans	-70.7	-5.4	175.9	-71.5	-166	112	0	0	113.4	S475	E473-S475 PolarHBondContact O-N 2.98Å
474	E	43.8	Very low	59.4	Low	176 Å²	176	113.8 Å²	113.8	82%	0.822	61%	0.61	S	S	*	*			trans	-100.3	60.2	-179.2	-64.4	-177.3	138.1	0	0	111.6	D472 N476	D472-E474 PolarHBondContact O-N 2.89Å; E474-N476 PolarHBondContact O-N 3.21Å
475	S	45.6	Very low	58.5	Low	116 Å²	116	119.1 Å²	119.1	81%	0.811	64%	0.637	S	S	*	*			trans	-86.3	36.4	173.6	62.8	0	0	0	0	114	E473	E473-S475 PolarHBondContact O-N 2.98Å
476	N	41.5	Very low	58	Low	139 Å²	139	119.6 Å²	119.6	74%	0.743	64%	0.641	S	S	*	*			trans	-156	139.1	163.7	-118.4	-7.8	0	0	0	104.9	E474	E474-N476 PolarHBondContact O-N 3.21Å
477	E	43.9	Very low	57.5	Low	191 Å²	191	116.9 Å²	116.9	89%	0.893	63%	0.63	S	S	*	*	S	Bend	cis	-132	170.9	29.9	-49.5	-175.8	142.9	0	0	112.6
478	G	38.8	Very low	57.2	Low	66 Å²	66	120.1 Å²	120.1	68%	0.68	64%	0.643	S	S	*	*			trans	115.4	45.7	163.9	0	0	0	0	0	117	S480	G478-S480 PolarHBondContact O-N 3.47Å
479	D	42.6	Very low	56.9	Low	164 Å²	164	116.8 Å²	116.8	88%	0.877	62%	0.616	S	S	*	*			trans	-70.7	74.1	157.9	-166	36.5	0	0	0	109.6
480	S	42.8	Very low	56.5	Low	100 Å²	100	120.4 Å²	120.4	70%	0.699	64%	0.638	S	S	*	*			trans	-95.3	133.3	177.2	-168.5	0	0	0	0	109.4	G478 D482	G478-S480 PolarHBondContact O-N 3.47Å; S480-D482 PolarHBondContact O-N 3.09Å
481	D	46	Very low	56.4	Low	131 Å²	131	114.1 Å²	114.1	70%	0.701	62%	0.619	S	S	*	*			trans	-58.4	86.9	-160.1	-165.9	-1.2	0	0	0	115.1	T483	D481-T483 VanDerWaalsContact C-N 3.28Å; D481-T483 PolarHBondContact O-N 3.42Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.41Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.38Å; D481-T483 PolarHBondContact OD1-N 2.99Å; D481-T483 PolarHBondContact OD1-OG1 2.97Å
482	D	50.1	Low	57.4	Low	48 Å²	48	108 Å²	108	26%	0.257	60%	0.595	S	S	.	*			trans	-89.9	30.1	179	179.8	45.2	0	0	0	112.1	S480 L485 R499	S480-D482 PolarHBondContact O-N 3.09Å; D482-L485 WeakPolarHBondContact OD1-CD1 3.31Å; D482-R499 IonicContact OD2-CZ 3.37Å; D482-R499 IonicContact OD2-NE 3.11Å; D482-R499 PolarHBondContact OD2-NE 2.94Å; D482-R499 VanDerWaalsContact OD2-NE 3.11Å; D482-R499 IonicContact OD2-NH2 2.76Å; D482-R499 PolarHBondContact OD2-NH2 3.44Å
483	T	53.8	Low	58.8	Low	100 Å²	100	106.6 Å²	106.6	61%	0.613	60%	0.6	S	S	*	*			trans	-74.6	-33.2	-171.9	46	0	0	0	0	114.5	D481	D481-T483 VanDerWaalsContact C-N 3.28Å; D481-T483 PolarHBondContact O-N 3.42Å; D481-T483 VanDerWaalsContact OD1-CB 3.29Å; D481-T483 WeakPolarHBondContact OD1-CB 3.41Å; D481-T483 WeakPolarHBondContact OD1-CG2 3.38Å; D481-T483 PolarHBondContact OD1-N 2.99Å; D481-T483 PolarHBondContact OD1-OG1 2.97Å
484	D	57.2	Low	60.4	Low	136 Å²	136	102.7 Å²	102.7	73%	0.727	58%	0.581	S	S	*	*	S	Bend	trans	-103	-2.3	-167.3	-110.8	-6.4	0	0	0	115.7	Q486	D484-Q486 PolarHBondContact O-N 3.43Å
485	L	68.1	Low	62.2	Low	113 Å²	113	97.5 Å²	97.5	59%	0.592	56%	0.563	S	S	*	*			trans	-72.3	112.9	174.4	-87.3	154.9	0	0	0	110.3	D482 P498	D482-L485 WeakPolarHBondContact OD1-CD1 3.31Å; L485-P498 HydrophobicContact CB-CG 4.19Å; L485-P498 WeakPolarHBondContact O-CD 3.48Å
486	Q	75.6	Confident	63.9	Low	97 Å²	97	92.5 Å²	92.5	45%	0.453	53%	0.527	S	S	.	.			trans	-126.7	123.1	-178.3	-62	-179.1	23.6	0	0	111.7	D484 P495	D484-Q486 PolarHBondContact O-N 3.43Å; Q486-P495 HydrophobicContact CB-CB 4.1Å; Q486-P495 VanDerWaalsContact OE1-CB 3.24Å
487	I	77.6	Confident	65.7	Low	81 Å²	81	88.6 Å²	88.6	42%	0.415	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.6	177.6	-57.4	179.7	0	0	0	108.9	I496 P498 A501	I487-I496 PolarHBondContact N-O 3.36Å; I487-I496 WeakPolarHBondContact O-CB 3.21Å; I487-I496 WeakPolarHBondContact O-CG1 3.44Å; I487-I496 PolarHBondContact O-N 2.98Å; I487-P498 HydrophobicContact CD1-CB 4.05Å; I487-P498 HydrophobicContact CD1-CG 3.99Å; I487-P498 HydrophobicContact CG1-CG 4.13Å; I487-A501 HydrophobicContact CB-CB 4.27Å; I487-A501 HydrophobicContact CD1-CB 4.23Å
488	F	77.3	Confident	67.1	Low	130 Å²	130	81.7 Å²	81.7	57%	0.57	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.9	179.8	-65.5	-89.1	0	0	0	112	V490 H494 P495	F488-V490 PolarHBondContact O-N 2.82Å; F488-H494 CarbonylContact C-O 3.6Å; F488-H494 WeakPolarHBondContact CA-O 3.36Å; F488-P495 HydrophobicContact CD1-CB 4.11Å; F488-P495 HydrophobicContact CE1-CB 3.81Å; F488-P495 HydrophobicContact CE1-CG 4.32Å; F488-P495 HydrophobicContact CZ-CB 4.31Å
489	C	77	Confident	68.6	Low	4 Å²	4	85.2 Å²	85.2	3%	0.027	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-63	123.7	174.5	-171.1	0	0	0	0	111.1	S491 C492 G493 H494 I496 H504	C489-S491 PolarHBondContact O-N 2.84Å; C489-S491 PolarHBondContact SG-N 2.78Å; C489-S491 VanDerWaalsContact SG-N 3.42Å; C489-C492 VanDerWaalsContact SG-SG 3.69Å; C489-G493 VanDerWaalsContact O-CA 3.23Å; C489-G493 WeakPolarHBondContact O-CA 3.26Å; C489-G493 PolarHBondContact O-N 3.46Å; C489-H494 PolarHBondContact N-O 2.92Å; C489-I496 HydrophobicContact CB-CD1 3.81Å; C489-I496 HydrophobicContact CB-CG1 4.33Å; C489-H504 VanDerWaalsContact SG-CD2 3.59Å
490	V	71.6	Confident	70.2	Confident	118 Å²	118	80.6 Å²	80.6	72%	0.715	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-31.5	173.9	-176.8	0	0	0	0	111.9	F488	F488-V490 PolarHBondContact O-N 2.82Å
491	S	75.1	Confident	71.5	Confident	32 Å²	32	76 Å²	76	22%	0.224	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-23.6	-171.7	-41.4	0	0	0	0	114.9	C489 Y509	C489-S491 PolarHBondContact O-N 2.84Å; C489-S491 PolarHBondContact SG-N 2.78Å; C489-S491 VanDerWaalsContact SG-N 3.42Å; S491-Y509 VanDerWaalsContact OG-CD1 3.31Å; S491-Y509 WeakPolarHBondContact OG-CD1 3.46Å; S491-Y509 WeakPolarHBondContact OG-CD2 3.26Å; S491-Y509 WeakPolarHBondContact OG-CE1 3.4Å; S491-Y509 VanDerWaalsContact OG-CE2 3.28Å; S491-Y509 WeakPolarHBondContact OG-CE2 3.5Å
492	C	79.3	Confident	72.6	Confident	50 Å²	50	73.9 Å²	73.9	34%	0.338	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.2	4.3	177.6	71.2	0	0	0	0	115.8	C489 H494 H504 C508	C489-C492 VanDerWaalsContact SG-SG 3.69Å; C492-H494 PolarHBondContact O-N 3.37Å; C492-H494 PolarHBondContact O-ND1 3.33Å; C492-H494 PolarHBondContact SG-ND1 3.29Å; C492-H504 PolarHBondContact SG-NE2 3.02Å; C492-C508 WeakPolarHBondContact CB-SG 3.39Å
493	G	78.2	Confident	73.6	Confident	50 Å²	50	77 Å²	77	52%	0.515	41%	0.412	S	S	.	.			trans	67.7	2.2	176.5	0	0	0	0	0	116.3	C489	C489-G493 VanDerWaalsContact O-CA 3.23Å; C489-G493 WeakPolarHBondContact O-CA 3.26Å; C489-G493 PolarHBondContact O-N 3.46Å
494	H	82.7	Confident	74.8	Confident	114 Å²	114	75 Å²	75	53%	0.528	40%	0.396	S	S	.	.			trans	-74.5	141.1	179.6	-71.8	51.6	0	0	0	110.9	F488 C489 C492	F488-H494 CarbonylContact C-O 3.6Å; F488-H494 WeakPolarHBondContact CA-O 3.36Å; C489-H494 PolarHBondContact N-O 2.92Å; C492-H494 PolarHBondContact O-N 3.37Å; C492-H494 PolarHBondContact O-ND1 3.33Å; C492-H494 PolarHBondContact SG-ND1 3.29Å
495	P	80.9	Confident	75.6	Confident	67 Å²	67	70.2 Å²	70.2	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.6	167.5	28.6	-33.3	0	0	0	110.8	Q486 F488	Q486-P495 HydrophobicContact CB-CB 4.1Å; Q486-P495 VanDerWaalsContact OE1-CB 3.24Å; F488-P495 HydrophobicContact CD1-CB 4.11Å; F488-P495 HydrophobicContact CE1-CB 3.81Å; F488-P495 HydrophobicContact CE1-CG 4.32Å; F488-P495 HydrophobicContact CZ-CB 4.31Å
496	I	81.4	Confident	75.8	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.056	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.3	-179.3	-33.7	153.4	0	0	0	108.9	I487 C489 V500 A501 H504 M505	I487-I496 PolarHBondContact N-O 3.36Å; I487-I496 WeakPolarHBondContact O-CB 3.21Å; I487-I496 WeakPolarHBondContact O-CG1 3.44Å; I487-I496 PolarHBondContact O-N 2.98Å; C489-I496 HydrophobicContact CB-CD1 3.81Å; C489-I496 HydrophobicContact CB-CG1 4.33Å; I496-V500 HydrophobicContact CG2-CG2 3.96Å; I496-A501 HydrophobicContact CB-CB 4.26Å; I496-A501 HydrophobicContact CD1-CB 4.29Å; I496-A501 HydrophobicContact CG2-CB 4.34Å; I496-H504 HydrophobicContact CD1-CB 3.89Å; I496-H504 VanDerWaalsContact CD1-CD2 3.49Å; I496-H504 WeakPolarHBondContact CD1-CD2 3.19Å; I496-H504 HydrophobicContact CG1-CB 4.22Å; I496-H504 HydrophobicContact CG2-CB 3.8Å; I496-M505 HydrophobicContact CD1-CG 4.21Å
497	N	79.8	Confident	75.7	Confident	57 Å²	57	73.2 Å²	73.2	31%	0.305	37%	0.372	S	S	.	.			trans	-63.5	136.3	169.3	175.6	-76.2	0	0	0	110.4	R499 V500 A501	N497-R499 VanDerWaalsContact C-N 3.25Å; N497-R499 PolarHBondContact O-N 2.94Å; N497-R499 VanDerWaalsContact O-N 3.11Å; N497-R499 VanDerWaalsContact OD1-CB 3.29Å; N497-R499 WeakPolarHBondContact OD1-CB 3.5Å; N497-R499 WeakPolarHBondContact OD1-CG 3.43Å; N497-R499 PolarHBondContact OD1-N 3.24Å; N497-V500 HydrophobicContact CB-CG2 4.27Å; N497-V500 CarbonylContact O-C 3.52Å; N497-V500 WeakPolarHBondContact O-CG2 3.36Å; N497-V500 PolarHBondContact O-N 2.94Å; N497-A501 PolarHBondContact O-N 2.77Å
498	P	72.8	Confident	75.4	Confident	47 Å²	47	70.2 Å²	70.2	31%	0.305	36%	0.359	S	S	.	.	H	α-helix	trans	-44.7	-43.2	-179.6	-31.1	30.8	0	0	0	115.1	L485 I487 V500 A501	L485-P498 HydrophobicContact CB-CG 4.19Å; L485-P498 WeakPolarHBondContact O-CD 3.48Å; I487-P498 HydrophobicContact CD1-CB 4.05Å; I487-P498 HydrophobicContact CD1-CG 3.99Å; I487-P498 HydrophobicContact CG1-CG 4.13Å; P498-V500 PolarHBondContact O-N 2.73Å; P498-A501 WeakPolarHBondContact O-CB 3.46Å; P498-A501 PolarHBondContact O-N 2.86Å; P498-A501 VanDerWaalsContact O-N 3.12Å
499	R	71.3	Confident	75.1	Confident	139 Å²	139	69.5 Å²	69.5	53%	0.525	35%	0.353	S	S	.	.	H	α-helix	trans	-63.9	-15.1	-176.8	-52	178.9	-169.5	-161.3	3.2	113	D482 N497 R503	D482-R499 IonicContact OD2-CZ 3.37Å; D482-R499 IonicContact OD2-NE 3.11Å; D482-R499 PolarHBondContact OD2-NE 2.94Å; D482-R499 VanDerWaalsContact OD2-NE 3.11Å; D482-R499 IonicContact OD2-NH2 2.76Å; D482-R499 PolarHBondContact OD2-NH2 3.44Å; N497-R499 VanDerWaalsContact C-N 3.25Å; N497-R499 PolarHBondContact O-N 2.94Å; N497-R499 VanDerWaalsContact O-N 3.11Å; N497-R499 VanDerWaalsContact OD1-CB 3.29Å; N497-R499 WeakPolarHBondContact OD1-CB 3.5Å; N497-R499 WeakPolarHBondContact OD1-CG 3.43Å; N497-R499 PolarHBondContact OD1-N 3.24Å; R499-R503 PolarHBondContact O-NH2 3.23Å
500	V	76.3	Confident	74.7	Confident	68 Å²	68	70.4 Å²	70.4	41%	0.412	36%	0.36	S	S	.	.	H	α-helix	trans	-126.9	3	174.5	-69.2	0	0	0	0	114	I496 N497 P498 L502 R503 H504	I496-V500 HydrophobicContact CG2-CG2 3.96Å; N497-V500 HydrophobicContact CB-CG2 4.27Å; N497-V500 CarbonylContact O-C 3.52Å; N497-V500 WeakPolarHBondContact O-CG2 3.36Å; N497-V500 PolarHBondContact O-N 2.94Å; P498-V500 PolarHBondContact O-N 2.73Å; V500-L502 PolarHBondContact O-N 2.76Å; V500-R503 PolarHBondContact O-N 2.73Å; V500-H504 PolarHBondContact O-N 3.43Å
501	A	70.2	Confident	74.7	Confident	2 Å²	2	72 Å²	72	2%	0.017	36%	0.358	C	S	.	.	H	α-helix	trans	-58.9	-47	-175.5	0	0	0	0	0	113.3	I487 I496 N497 P498 H504 M505	I487-A501 HydrophobicContact CB-CB 4.27Å; I487-A501 HydrophobicContact CD1-CB 4.23Å; I496-A501 HydrophobicContact CB-CB 4.26Å; I496-A501 HydrophobicContact CD1-CB 4.29Å; I496-A501 HydrophobicContact CG2-CB 4.34Å; N497-A501 PolarHBondContact O-N 2.77Å; P498-A501 WeakPolarHBondContact O-CB 3.46Å; P498-A501 PolarHBondContact O-N 2.86Å; P498-A501 VanDerWaalsContact O-N 3.12Å; A501-H504 PolarHBondContact O-N 3.15Å; A501-M505 HydrophobicContact CB-CE 4.02Å; A501-M505 WeakPolarHBondContact O-CB 3.4Å; A501-M505 WeakPolarHBondContact O-CE 3.35Å; A501-M505 WeakPolarHBondContact O-CG 3.48Å; A501-M505 PolarHBondContact O-N 3.47Å
502	L	68.3	Low	74.2	Confident	87 Å²	87	77.7 Å²	77.7	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-64.1	-48	178.7	-63.3	173.5	0	0	0	111.8	V500 H504 M505 E506 Y594	V500-L502 PolarHBondContact O-N 2.76Å; L502-H504 VanDerWaalsContact C-N 3.31Å; L502-H504 PolarHBondContact O-N 2.98Å; L502-M505 HydrophobicContact CD2-CE 4.18Å; L502-M505 PolarHBondContact O-N 3.04Å; L502-E506 PolarHBondContact O-N 2.96Å; L502-Y594 HydrophobicContact CB-CD1 3.9Å; L502-Y594 HydrophobicContact CB-CE1 3.9Å; L502-Y594 HydrophobicContact CB-CG 4.47Å; L502-Y594 HydrophobicContact CD1-CD1 3.71Å; L502-Y594 HydrophobicContact CD1-CG 3.8Å; L502-Y594 HydrophobicContact CG-CD1 4.41Å
503	R	71.9	Confident	73.5	Confident	114 Å²	114	78.4 Å²	78.4	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-59.5	-37.4	176.4	-78.3	179.2	-76.4	-163.9	-3.3	113.1	R499 V500 R507 Y594	R499-R503 PolarHBondContact O-NH2 3.23Å; V500-R503 PolarHBondContact O-N 2.73Å; R503-R507 WeakPolarHBondContact O-CD 3.49Å; R503-R507 VanDerWaalsContact O-CG 3.28Å; R503-R507 WeakPolarHBondContact O-CG 3.37Å; R503-R507 PolarHBondContact O-N 3.03Å; R503-Y594 HydrophobicContact CG-CE2 4.04Å; R503-Y594 WeakPolarHBondContact CG-OH 3.36Å
504	H	77.9	Confident	72.9	Confident	59 Å²	59	78.8 Å²	78.8	27%	0.273	37%	0.368	S	S	.	.	H	α-helix	trans	-67.8	-46.6	172.4	176.8	114.9	0	0	0	110.8	C489 C492 I496 V500 A501 L502 E506 R507 C508	C489-H504 VanDerWaalsContact SG-CD2 3.59Å; C492-H504 PolarHBondContact SG-NE2 3.02Å; I496-H504 HydrophobicContact CD1-CB 3.89Å; I496-H504 VanDerWaalsContact CD1-CD2 3.49Å; I496-H504 WeakPolarHBondContact CD1-CD2 3.19Å; I496-H504 HydrophobicContact CG1-CB 4.22Å; I496-H504 HydrophobicContact CG2-CB 3.8Å; V500-H504 PolarHBondContact O-N 3.43Å; A501-H504 PolarHBondContact O-N 3.15Å; L502-H504 VanDerWaalsContact C-N 3.31Å; L502-H504 PolarHBondContact O-N 2.98Å; H504-E506 PolarHBondContact O-N 2.81Å; H504-R507 PolarHBondContact O-N 3.33Å; H504-C508 VanDerWaalsContact O-CB 3.25Å; H504-C508 WeakPolarHBondContact O-CB 3.22Å; H504-C508 PolarHBondContact O-N 3.48Å
505	M	73.5	Confident	71.8	Confident	35 Å²	35	80.3 Å²	80.3	17%	0.172	38%	0.376	C	S	.	.	H	α-helix	trans	-60.5	-45.7	-179.7	-79.2	-175.8	-84.3	0	0	111.8	I496 A501 L502 R507 C508 Y509	I496-M505 HydrophobicContact CD1-CG 4.21Å; A501-M505 HydrophobicContact CB-CE 4.02Å; A501-M505 WeakPolarHBondContact O-CB 3.4Å; A501-M505 WeakPolarHBondContact O-CE 3.35Å; A501-M505 WeakPolarHBondContact O-CG 3.48Å; A501-M505 PolarHBondContact O-N 3.47Å; L502-M505 HydrophobicContact CD2-CE 4.18Å; L502-M505 PolarHBondContact O-N 3.04Å; M505-R507 PolarHBondContact O-N 3.39Å; M505-C508 PolarHBondContact O-N 3.49Å; M505-Y509 HydrophobicContact CB-CD2 4.38Å; M505-Y509 HydrophobicContact CB-CE2 4.45Å; M505-Y509 WeakPolarHBondContact O-CB 3.44Å; M505-Y509 WeakPolarHBondContact O-CD2 3.47Å; M505-Y509 PolarHBondContact O-N 2.88Å
506	E	72.4	Confident	70.7	Confident	82 Å²	82	79.4 Å²	79.4	38%	0.383	37%	0.369	S	S	.	.	H	α-helix	trans	-54.8	-52.5	173	-73.2	-178.6	107	0	0	112.1	L502 H504 C508 Y509 A510 Y594	L502-E506 PolarHBondContact O-N 2.96Å; H504-E506 PolarHBondContact O-N 2.81Å; E506-C508 VanDerWaalsContact C-N 3.26Å; E506-C508 PolarHBondContact O-N 3.36Å; E506-Y509 PolarHBondContact O-N 3.11Å; E506-A510 WeakPolarHBondContact O-CB 3.3Å; E506-A510 PolarHBondContact O-N 2.85Å; E506-Y594 VanDerWaalsContact OE2-CE1 3.31Å; E506-Y594 WeakPolarHBondContact OE2-CE1 3.34Å; E506-Y594 PolarHBondContact OE2-OH 3.23Å
507	R	74.6	Confident	69.5	Low	190 Å²	190	84.8 Å²	84.8	72%	0.717	41%	0.408	S	S	*	.	H	α-helix	trans	-61.6	-34.7	178.7	-70.4	172.1	-178.5	177.9	0	112.4	R503 H504 M505 K511	R503-R507 WeakPolarHBondContact O-CD 3.49Å; R503-R507 VanDerWaalsContact O-CG 3.28Å; R503-R507 WeakPolarHBondContact O-CG 3.37Å; R503-R507 PolarHBondContact O-N 3.03Å; H504-R507 PolarHBondContact O-N 3.33Å; M505-R507 PolarHBondContact O-N 3.39Å; R507-K511 VanDerWaalsContact O-CB 3.24Å; R507-K511 WeakPolarHBondContact O-CB 3.12Å; R507-K511 PolarHBondContact O-N 3.08Å
508	C	71.3	Confident	68.9	Low	19 Å²	19	86.6 Å²	86.6	13%	0.128	41%	0.413	C	S	.	.	H	α-helix	trans	-76.4	-40.5	179.8	-162.5	0	0	0	0	112.2	C492 H504 M505 E506 K511 Y512	C492-C508 WeakPolarHBondContact CB-SG 3.39Å; H504-C508 VanDerWaalsContact O-CB 3.25Å; H504-C508 WeakPolarHBondContact O-CB 3.22Å; H504-C508 PolarHBondContact O-N 3.48Å; M505-C508 PolarHBondContact O-N 3.49Å; E506-C508 VanDerWaalsContact C-N 3.26Å; E506-C508 PolarHBondContact O-N 3.36Å; C508-K511 CarbonylContact O-C 3.56Å; C508-K511 PolarHBondContact O-N 2.97Å; C508-Y512 WeakPolarHBondContact O-CB 3.41Å; C508-Y512 PolarHBondContact O-N 2.69Å
509	Y	69.9	Low	69	Low	115 Å²	115	86.1 Å²	86.1	45%	0.451	42%	0.416	S	S	.	.	H	α-helix	trans	-63.4	-44.1	170.8	-82.5	-65.8	0	0	0	111.2	S491 M505 E506 K511 Y512 E513	S491-Y509 VanDerWaalsContact OG-CD1 3.31Å; S491-Y509 WeakPolarHBondContact OG-CD1 3.46Å; S491-Y509 WeakPolarHBondContact OG-CD2 3.26Å; S491-Y509 WeakPolarHBondContact OG-CE1 3.4Å; S491-Y509 VanDerWaalsContact OG-CE2 3.28Å; S491-Y509 WeakPolarHBondContact OG-CE2 3.5Å; M505-Y509 HydrophobicContact CB-CD2 4.38Å; M505-Y509 HydrophobicContact CB-CE2 4.45Å; M505-Y509 WeakPolarHBondContact O-CB 3.44Å; M505-Y509 WeakPolarHBondContact O-CD2 3.47Å; M505-Y509 PolarHBondContact O-N 2.88Å; E506-Y509 PolarHBondContact O-N 3.11Å; Y509-K511 VanDerWaalsContact C-N 3.34Å; Y509-K511 PolarHBondContact O-N 2.91Å; Y509-Y512 WeakPolarHBondContact O-CB 3.39Å; Y509-Y512 PolarHBondContact O-N 2.85Å; Y509-Y512 VanDerWaalsContact O-N 3.07Å; Y509-E513 WeakPolarHBondContact O-CB 3.37Å; Y509-E513 PolarHBondContact O-N 3.28Å
510	A	69.8	Low	69.5	Low	22 Å²	22	81.7 Å²	81.7	18%	0.182	41%	0.407	C	S	.	.	H	α-helix	trans	-58.6	-43.3	173.6	0	0	0	0	0	112.3	E506 Y512 E513 S514 P553	E506-A510 WeakPolarHBondContact O-CB 3.3Å; E506-A510 PolarHBondContact O-N 2.85Å; A510-Y512 VanDerWaalsContact C-N 3.27Å; A510-Y512 PolarHBondContact O-N 3.09Å; A510-E513 PolarHBondContact O-N 3.21Å; A510-S514 WeakPolarHBondContact O-CB 3.39Å; A510-S514 PolarHBondContact O-N 2.77Å; A510-S514 PolarHBondContact O-OG 3.23Å; A510-S514 VanDerWaalsContact O-OG 3.12Å; A510-P553 HydrophobicContact CB-CB 3.59Å; A510-P553 HydrophobicContact CB-CG 3.67Å
511	K	71.3	Confident	69.6	Low	152 Å²	152	84.7 Å²	84.7	66%	0.661	42%	0.418	S	S	*	.	H	α-helix	trans	-69.8	-19.2	175.5	-171.1	176	-180	-178.9	0	113.8	R507 C508 Y509 S514 Q515	R507-K511 VanDerWaalsContact O-CB 3.24Å; R507-K511 WeakPolarHBondContact O-CB 3.12Å; R507-K511 PolarHBondContact O-N 3.08Å; C508-K511 CarbonylContact O-C 3.56Å; C508-K511 PolarHBondContact O-N 2.97Å; Y509-K511 VanDerWaalsContact C-N 3.34Å; Y509-K511 PolarHBondContact O-N 2.91Å; K511-S514 PolarHBondContact O-OG 3.27Å; K511-Q515 PolarHBondContact O-NE2 3.12Å
512	Y	64.4	Low	70.1	Confident	152 Å²	152	92.3 Å²	92.3	60%	0.596	45%	0.447	S	S	*	.	H	α-helix	trans	-84.8	-47.9	172.1	-173.1	-99.2	0	0	0	110.5	C508 Y509 A510 S514 Q515	C508-Y512 WeakPolarHBondContact O-CB 3.41Å; C508-Y512 PolarHBondContact O-N 2.69Å; Y509-Y512 WeakPolarHBondContact O-CB 3.39Å; Y509-Y512 PolarHBondContact O-N 2.85Å; Y509-Y512 VanDerWaalsContact O-N 3.07Å; A510-Y512 VanDerWaalsContact C-N 3.27Å; A510-Y512 PolarHBondContact O-N 3.09Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.09Å; Y512-Q515 WeakPolarHBondContact O-CB 3.36Å; Y512-Q515 PolarHBondContact O-N 3.42Å; Y512-Q515 VanDerWaalsContact O-N 3.1Å
513	E	65.2	Low	70.8	Confident	65 Å²	65	90.8 Å²	90.8	30%	0.304	44%	0.443	S	S	.	.	H	α-helix	trans	-65.2	-31.5	178.8	-166.6	-169.3	-151.2	0	0	112.6	Y509 A510 Q515 T516 F518 R547	Y509-E513 WeakPolarHBondContact O-CB 3.37Å; Y509-E513 PolarHBondContact O-N 3.28Å; A510-E513 PolarHBondContact O-N 3.21Å; E513-Q515 PolarHBondContact O-N 3.2Å; E513-T516 PolarHBondContact O-N 3.41Å; E513-T516 VanDerWaalsContact O-N 3.11Å; E513-T516 PolarHBondContact O-OG1 3.45Å; E513-F518 HydrophobicContact CG-CD2 4.24Å; E513-F518 HydrophobicContact CG-CE2 3.63Å; E513-R547 VanDerWaalsContact CG-NH1 3.28Å; E513-R547 PolarHBondContact O-NH2 3.3Å; E513-R547 VanDerWaalsContact O-NH2 3.1Å; E513-R547 IonicContact OE2-CZ 2.69Å; E513-R547 IonicContact OE2-NH1 2.65Å; E513-R547 PolarHBondContact OE2-NH1 3.19Å
514	S	64.3	Low	71.2	Confident	57 Å²	57	87.3 Å²	87.3	40%	0.399	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-11	172.7	63.8	0	0	0	0	114.9	A510 K511 Y512 T516	A510-S514 WeakPolarHBondContact O-CB 3.39Å; A510-S514 PolarHBondContact O-N 2.77Å; A510-S514 PolarHBondContact O-OG 3.23Å; A510-S514 VanDerWaalsContact O-OG 3.12Å; K511-S514 PolarHBondContact O-OG 3.27Å; Y512-S514 VanDerWaalsContact C-N 3.33Å; Y512-S514 PolarHBondContact O-N 3.09Å; S514-T516 PolarHBondContact O-N 2.88Å
515	Q	60.4	Low	70.8	Confident	146 Å²	146	95.1 Å²	95.1	68%	0.682	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-7.7	171.1	-59.6	171.7	45.4	0	0	112.3	K511 Y512 E513	K511-Q515 PolarHBondContact O-NE2 3.12Å; Y512-Q515 WeakPolarHBondContact O-CB 3.36Å; Y512-Q515 PolarHBondContact O-N 3.42Å; Y512-Q515 VanDerWaalsContact O-N 3.1Å; E513-Q515 PolarHBondContact O-N 3.2Å
516	T	57.3	Low	70.6	Confident	49 Å²	49	95.3 Å²	95.3	30%	0.301	46%	0.463	S	S	.	.	S	Bend	trans	-116.2	122.4	173.8	34.7	0	0	0	0	110.5	V326 E513 S514 F518	V326-T516 HydrophobicContact CG2-CG2 4.32Å; E513-T516 PolarHBondContact O-N 3.41Å; E513-T516 VanDerWaalsContact O-N 3.11Å; E513-T516 PolarHBondContact O-OG1 3.45Å; S514-T516 PolarHBondContact O-N 2.88Å; T516-F518 VanDerWaalsContact O-CD2 3.3Å; T516-F518 WeakPolarHBondContact O-CD2 3.45Å; T516-F518 PolarHBondContact O-N 2.91Å; T516-F518 VanDerWaalsContact OG1-CE2 3.24Å; T516-F518 WeakPolarHBondContact OG1-CE2 3.33Å
517	S	57.3	Low	69.9	Low	123 Å²	123	100.3 Å²	100.3	86%	0.86	49%	0.486	S	S	*	.			trans	-81.7	96.1	-177	56.4	0	0	0	0	111.9	G519	S517-G519 PolarHBondContact O-N 3.29Å
518	F	65.6	Low	69.1	Low	96 Å²	96	95.3 Å²	95.3	42%	0.421	49%	0.494	S	S	.	.			trans	-85.7	88.7	174.1	-65.6	-80.6	0	0	0	111.7	E513 T516 K546 R547	E513-F518 HydrophobicContact CG-CD2 4.24Å; E513-F518 HydrophobicContact CG-CE2 3.63Å; T516-F518 VanDerWaalsContact O-CD2 3.3Å; T516-F518 WeakPolarHBondContact O-CD2 3.45Å; T516-F518 PolarHBondContact O-N 2.91Å; T516-F518 VanDerWaalsContact OG1-CE2 3.24Å; T516-F518 WeakPolarHBondContact OG1-CE2 3.33Å; F518-K546 PolarHBondContact O-N 2.91Å; F518-R547 HydrophobicContact CB-CG 4.07Å; F518-R547 HydrophobicContact CD2-CG 4.42Å; F518-R547 HydrophobicContact CG-CG 4.44Å
519	G	76.9	Confident	68.5	Low	36 Å²	36	95.4 Å²	95.4	37%	0.371	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156.8	173.7	0	0	0	0	0	114.3	S517 Y544	S517-G519 PolarHBondContact O-N 3.29Å; G519-Y544 WeakPolarHBondContact CA-O 3.41Å
520	S	80.9	Confident	68.2	Low	47 Å²	47	92.4 Å²	92.4	33%	0.329	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	169.5	171.4	89.1	0	0	0	0	111.3	Y522 T543 Y544 K546	S520-Y522 PolarHBondContact O-N 2.9Å; S520-Y522 PolarHBondContact OG-N 3.46Å; S520-Y522 PolarHBondContact OG-O 3.39Å; S520-Y522 VanDerWaalsContact OG-O 3.09Å; S520-T543 CarbonylContact O-C 3.55Å; S520-T543 WeakPolarHBondContact O-CA 3.39Å; S520-T543 VanDerWaalsContact O-CB 3.31Å; S520-T543 WeakPolarHBondContact O-CB 3.44Å; S520-Y544 PolarHBondContact N-O 2.78Å; S520-Y544 PolarHBondContact O-N 3.02Å; S520-K546 WeakPolarHBondContact OG-CE 3.44Å
521	M	77.8	Confident	68.3	Low	130 Å²	130	98.2 Å²	98.2	64%	0.64	51%	0.507	S	S	*	.	S	Bend	trans	-72.8	-10.8	-176.4	-59.2	-172.3	-59.2	0	0	114.1	Y544	M521-Y544 WeakPolarHBondContact O-CE2 3.49Å
522	Y	81.2	Confident	68.8	Low	162 Å²	162	91.2 Å²	91.2	64%	0.635	48%	0.477	S	S	*	.	S	Bend	trans	-130.1	146.4	-172.9	-55.4	-63.7	0	0	0	111.3	S520 K546	S520-Y522 PolarHBondContact O-N 2.9Å; S520-Y522 PolarHBondContact OG-N 3.46Å; S520-Y522 PolarHBondContact OG-O 3.39Å; S520-Y522 VanDerWaalsContact OG-O 3.09Å; Y522-K546 WeakPolarHBondContact O-CE 3.14Å; Y522-K546 PolarHBondContact O-NZ 2.88Å
523	P	82.6	Confident	69.7	Low	55 Å²	55	84.9 Å²	84.9	36%	0.357	45%	0.452	S	S	.	.			trans	-66.5	155.2	173.2	30.7	-34.8	0	0	0	110.5	R525 D535 Y544 K546	P523-R525 PolarHBondContact O-N 3.46Å; P523-D535 WeakPolarHBondContact CA-OD1 3.36Å; P523-Y544 HydrophobicContact CB-CD1 3.91Å; P523-Y544 HydrophobicContact CB-CE1 3.94Å; P523-Y544 HydrophobicContact CB-CG 4.27Å; P523-Y544 HydrophobicContact CG-CE1 4.35Å; P523-K546 VanDerWaalsContact C-NZ 3.31Å
524	T	79.8	Confident	70.7	Confident	41 Å²	41	82 Å²	82	25%	0.252	44%	0.439	S	S	.	.			trans	-79.5	119	175	-33.1	0	0	0	0	108.3	I526 F533 D535 K546	T524-I526 HydrophobicContact CG2-CD1 4.03Å; T524-I526 HydrophobicContact CG2-CG1 3.87Å; T524-F533 HydrophobicContact CG2-CD2 3.96Å; T524-F533 HydrophobicContact CG2-CE2 4.38Å; T524-D535 WeakPolarHBondContact CB-OD2 3.45Å; T524-D535 VanDerWaalsContact N-CG 3.31Å; T524-D535 PolarHBondContact N-OD1 2.97Å; T524-D535 VanDerWaalsContact N-OD1 3.09Å; T524-D535 PolarHBondContact N-OD2 2.9Å; T524-D535 VanDerWaalsContact N-OD2 3.13Å; T524-D535 PolarHBondContact OG1-OD1 3.32Å; T524-D535 PolarHBondContact OG1-OD2 3.38Å; T524-K546 PolarHBondContact OG1-NZ 3.36Å
525	R	70.9	Confident	71.7	Confident	223 Å²	223	80.1 Å²	80.1	84%	0.842	43%	0.425	S	S	*	.			trans	-95.2	111.6	168.7	-65.3	-175.1	179.8	-170.5	-1.1	107.6	P523	P523-R525 PolarHBondContact O-N 3.46Å
526	I	69.6	Low	72.9	Confident	40 Å²	40	76 Å²	76	21%	0.205	41%	0.409	C	S	.	.			trans	-129	114.4	168.8	-51.9	-179.8	0	0	0	104.8	T524 A529 L532 F533 W612	T524-I526 HydrophobicContact CG2-CD1 4.03Å; T524-I526 HydrophobicContact CG2-CG1 3.87Å; I526-A529 HydrophobicContact CB-CB 4.31Å; I526-A529 HydrophobicContact CG2-CB 3.61Å; I526-L532 HydrophobicContact CD1-CD1 4.16Å; I526-F533 HydrophobicContact CD1-CD2 4.12Å; I526-F533 HydrophobicContact CD1-CE2 4Å; I526-W612 HydrophobicContact CD1-CD2 4.23Å; I526-W612 HydrophobicContact CD1-CZ2 4.23Å; I526-W612 HydrophobicContact CG1-CZ2 4.21Å
527	E	57.7	Low	74.4	Confident	186 Å²	186	78.4 Å²	78.4	87%	0.869	41%	0.413	S	S	*	.	S	Bend	trans	-77.2	149.6	179.8	-71.8	158.2	-166.6	0	0	110.3	A529	E527-A529 PolarHBondContact O-N 3.45Å
528	G	56.8	Low	75.6	Confident	86 Å²	86	75.6 Å²	75.6	89%	0.887	39%	0.389	S	S	*	.	S	Bend	trans	71.7	-35	-177.5	0	0	0	0	0	116
529	A	59.3	Low	76.5	Confident	21 Å²	21	75.6 Å²	75.6	17%	0.174	40%	0.399	C	S	.	.	S	Bend	trans	-75.7	133.6	-171.5	0	0	0	0	0	114.1	E451 I526 E527 R531	E451-A529 VanDerWaalsContact OE1-CA 3.3Å; E451-A529 WeakPolarHBondContact OE1-CA 3.38Å; E451-A529 VanDerWaalsContact OE1-CB 3.29Å; E451-A529 WeakPolarHBondContact OE1-CB 3Å; I526-A529 HydrophobicContact CB-CB 4.31Å; I526-A529 HydrophobicContact CG2-CB 3.61Å; E527-A529 PolarHBondContact O-N 3.45Å; A529-R531 PolarHBondContact O-N 3.42Å
530	T	63.3	Low	76.8	Confident	51 Å²	51	82.8 Å²	82.8	31%	0.313	42%	0.422	S	S	.	.			trans	-56.3	137.2	162.6	58.9	0	0	0	0	110	F454 L532 R608	F454-T530 HydrophobicContact CD1-CG2 4.48Å; F454-T530 HydrophobicContact CE1-CG2 4.11Å; T530-L532 PolarHBondContact O-N 3.47Å; T530-R608 PolarHBondContact O-NH2 3.32Å; T530-R608 PolarHBondContact OG1-NH1 2.83Å; T530-R608 PolarHBondContact OG1-NH2 3.15Å
531	R	71.3	Confident	76.9	Confident	144 Å²	144	83.4 Å²	83.4	54%	0.543	43%	0.427	S	S	.	.			trans	-54.9	94	-163.7	-173.7	175.7	175.7	156.7	0.8	114.2	A529 F533 C534 D535 Q549	A529-R531 PolarHBondContact O-N 3.42Å; R531-F533 VanDerWaalsContact CG-O 3.31Å; R531-F533 WeakPolarHBondContact CG-O 3.33Å; R531-F533 PolarHBondContact NE-O 2.96Å; R531-C534 PolarHBondContact NE-O 3.47Å; R531-C534 PolarHBondContact NH2-O 3.32Å; R531-D535 PolarHBondContact NH2-O 3.49Å; R531-Q549 WeakPolarHBondContact O-CB 3.23Å; R531-Q549 PolarHBondContact O-OE1 2.79Å
532	L	81.7	Confident	77.3	Confident	6 Å²	6	84.4 Å²	84.4	3%	0.031	43%	0.428	C	S	.	.			trans	-67.2	-34.3	-179	-76.3	170	0	0	0	113.9	I526 T530 L548 Q549 D605 R608 V609	I526-L532 HydrophobicContact CD1-CD1 4.16Å; T530-L532 PolarHBondContact O-N 3.47Å; L532-L548 CarbonylContact O-C 3.54Å; L532-L548 WeakPolarHBondContact O-CA 3.34Å; L532-L548 WeakPolarHBondContact O-CD1 3.42Å; L532-Q549 PolarHBondContact O-N 2.83Å; L532-D605 HydrophobicContact CD2-CB 3.83Å; L532-D605 WeakPolarHBondContact CD2-OD1 3.46Å; L532-R608 HydrophobicContact CD1-CB 4.22Å; L532-R608 HydrophobicContact CD2-CB 3.89Å; L532-R608 VanDerWaalsContact CD2-NH1 3.33Å; L532-V609 HydrophobicContact CB-CG2 4.34Å; L532-V609 HydrophobicContact CD1-CG2 4.04Å; L532-V609 HydrophobicContact CD2-CG2 4.21Å; L532-V609 HydrophobicContact CG-CG2 4.44Å
533	F	84.6	Confident	77.6	Confident	18 Å²	18	78.4 Å²	78.4	8%	0.079	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-113.5	143.6	-174.5	-64.7	-75.6	0	0	0	111.8	T524 I526 R531 D535 V609	T524-F533 HydrophobicContact CG2-CD2 3.96Å; T524-F533 HydrophobicContact CG2-CE2 4.38Å; I526-F533 HydrophobicContact CD1-CD2 4.12Å; I526-F533 HydrophobicContact CD1-CE2 4Å; R531-F533 VanDerWaalsContact CG-O 3.31Å; R531-F533 WeakPolarHBondContact CG-O 3.33Å; R531-F533 PolarHBondContact NE-O 2.96Å; F533-D535 WeakPolarHBondContact CB-OD2 3.29Å; F533-D535 PolarHBondContact O-N 2.79Å; F533-V609 HydrophobicContact CE1-CG2 4.32Å; F533-V609 HydrophobicContact CE2-CG2 4.12Å; F533-V609 HydrophobicContact CZ-CG1 4.06Å; F533-V609 HydrophobicContact CZ-CG2 3.67Å
534	C	84.5	Confident	77.9	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.034	40%	0.403	C	S	.	.			trans	-52.8	-52.4	-177.3	171.8	0	0	0	0	112.3	R531 V536 C545 R547 C552 H555	R531-C534 PolarHBondContact NE-O 3.47Å; R531-C534 PolarHBondContact NH2-O 3.32Å; C534-V536 PolarHBondContact O-N 3.03Å; C534-C545 HydrophobicContact CB-CB 4.07Å; C534-R547 WeakPolarHBondContact CB-O 3.43Å; C534-R547 PolarHBondContact N-O 3.07Å; C534-C552 HydrophobicContact CB-CB 3.96Å; C534-H555 WeakPolarHBondContact SG-CB 3.44Å
535	D	85.8	Confident	78.1	Confident	18 Å²	18	77.5 Å²	77.5	10%	0.096	40%	0.395	C	S	.	.			trans	48.6	26.5	177.5	-80.6	-58.6	0	0	0	115.6	P523 T524 R531 F533 Y537 Y544 C545 K546	P523-D535 WeakPolarHBondContact CA-OD1 3.36Å; T524-D535 WeakPolarHBondContact CB-OD2 3.45Å; T524-D535 VanDerWaalsContact N-CG 3.31Å; T524-D535 PolarHBondContact N-OD1 2.97Å; T524-D535 VanDerWaalsContact N-OD1 3.09Å; T524-D535 PolarHBondContact N-OD2 2.9Å; T524-D535 VanDerWaalsContact N-OD2 3.13Å; T524-D535 PolarHBondContact OG1-OD1 3.32Å; T524-D535 PolarHBondContact OG1-OD2 3.38Å; R531-D535 PolarHBondContact NH2-O 3.49Å; F533-D535 WeakPolarHBondContact CB-OD2 3.29Å; F533-D535 PolarHBondContact O-N 2.79Å; D535-Y537 PolarHBondContact O-N 2.98Å; D535-Y544 WeakPolarHBondContact OD1-CB 3.38Å; D535-C545 WeakPolarHBondContact CA-O 3.47Å; D535-C545 PolarHBondContact N-O 3.48Å; D535-K546 IonicContact OD1-NZ 3.52Å; D535-K546 PolarHBondContact OD1-NZ 3.36Å; D535-K546 IonicContact OD2-NZ 3.74Å
536	V	85.9	Confident	78.8	Confident	58 Å²	58	69 Å²	69	35%	0.352	36%	0.364	S	S	.	.			trans	-70.7	127.8	162.9	176.2	0	0	0	0	108	C534 C545 H555	C534-V536 PolarHBondContact O-N 3.03Å; V536-C545 PolarHBondContact O-N 2.91Å; V536-H555 HydrophobicContact CG2-CB 4.09Å
537	Y	88.3	Confident	79.4	Confident	100 Å²	100	67.8 Å²	67.8	39%	0.392	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	128.5	176.1	-175	-109.7	0	0	0	110.5	D535 P539 K542 Y544	D535-Y537 PolarHBondContact O-N 2.98Å; Y537-P539 HydrophobicContact CD1-CG 4.18Å; Y537-P539 HydrophobicContact CE1-CB 4.32Å; Y537-P539 HydrophobicContact CE1-CG 4.36Å; Y537-P539 WeakPolarHBondContact O-CD 3.15Å; Y537-K542 WeakPolarHBondContact OH-CA 3.41Å; Y537-Y544 HydrophobicContact CD2-CD1 4.06Å; Y537-Y544 AromaticContact CD2-CD2 3.8Å; Y537-Y544 HydrophobicContact CD2-CD2 3.8Å; Y537-Y544 AromaticContact CD2-CE1 3.82Å; Y537-Y544 HydrophobicContact CD2-CE1 3.82Å; Y537-Y544 AromaticContact CD2-CE2 3.53Å; Y537-Y544 HydrophobicContact CD2-CE2 3.53Å; Y537-Y544 HydrophobicContact CD2-CG 4.06Å; Y537-Y544 AromaticContact CD2-CZ 3.53Å; Y537-Y544 HydrophobicContact CE2-CD2 4.32Å; Y537-Y544 AromaticContact CE2-CE2 3.89Å; Y537-Y544 HydrophobicContact CE2-CE2 3.89Å; Y537-Y544 HydrophobicContact CG-CE1 4.19Å
538	N	84.3	Confident	80.5	Confident	65 Å²	65	59.7 Å²	59.7	35%	0.348	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	111.2	169.8	179.8	-19.3	0	0	0	109.4	Q540 S541 K542 T543	N538-Q540 VanDerWaalsContact C-N 3.26Å; N538-Q540 PolarHBondContact O-N 3.27Å; N538-Q540 WeakPolarHBondContact OD1-CB 3.38Å; N538-Q540 PolarHBondContact OD1-N 2.93Å; N538-S541 WeakPolarHBondContact CB-OG 3.3Å; N538-S541 VanDerWaalsContact CG-OG 3.3Å; N538-S541 PolarHBondContact O-N 2.8Å; N538-S541 PolarHBondContact OD1-N 3.29Å; N538-K542 WeakPolarHBondContact O-CA 3.49Å; N538-K542 PolarHBondContact O-N 2.95Å; N538-T543 PolarHBondContact N-O 3.27Å; N538-T543 PolarHBondContact O-N 3.37Å
539	P	84.2	Confident	81.7	Confident	96 Å²	96	59.4 Å²	59.4	62%	0.623	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-26	-179.4	-22.3	34.2	0	0	0	114.3	Y537	Y537-P539 HydrophobicContact CD1-CG 4.18Å; Y537-P539 HydrophobicContact CE1-CB 4.32Å; Y537-P539 HydrophobicContact CE1-CG 4.36Å; Y537-P539 WeakPolarHBondContact O-CD 3.15Å
540	Q	82.6	Confident	82.6	Confident	186 Å²	186	59.3 Å²	59.3	87%	0.869	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-40	-177.4	-57.4	-178.3	-5.1	0	0	111.8	N538	N538-Q540 VanDerWaalsContact C-N 3.26Å; N538-Q540 PolarHBondContact O-N 3.27Å; N538-Q540 WeakPolarHBondContact OD1-CB 3.38Å; N538-Q540 PolarHBondContact OD1-N 2.93Å
541	S	83.8	Confident	83.2	Confident	61 Å²	61	60.4 Å²	60.4	43%	0.427	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.8	176.4	60.7	0	0	0	0	113.7	N538 T543	N538-S541 WeakPolarHBondContact CB-OG 3.3Å; N538-S541 VanDerWaalsContact CG-OG 3.3Å; N538-S541 PolarHBondContact O-N 2.8Å; N538-S541 PolarHBondContact OD1-N 3.29Å; S541-T543 VanDerWaalsContact C-N 3.25Å; S541-T543 WeakPolarHBondContact CB-OG1 3.23Å; S541-T543 PolarHBondContact O-N 2.95Å; S541-T543 PolarHBondContact OG-OG1 3.3Å
542	K	85.6	Confident	83.6	Confident	150 Å²	150	53.5 Å²	53.5	65%	0.652	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	37.9	-172	-59	-171.8	176.6	-171.5	0	113.3	Y537 N538	Y537-K542 WeakPolarHBondContact OH-CA 3.41Å; N538-K542 WeakPolarHBondContact O-CA 3.49Å; N538-K542 PolarHBondContact O-N 2.95Å
543	T	88.3	Confident	83.1	Confident	36 Å²	36	56.2 Å²	56.2	22%	0.221	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147.9	-177.5	49.9	0	0	0	0	112.9	S520 N538 S541	S520-T543 CarbonylContact O-C 3.55Å; S520-T543 WeakPolarHBondContact O-CA 3.39Å; S520-T543 VanDerWaalsContact O-CB 3.31Å; S520-T543 WeakPolarHBondContact O-CB 3.44Å; N538-T543 PolarHBondContact N-O 3.27Å; N538-T543 PolarHBondContact O-N 3.37Å; S541-T543 VanDerWaalsContact C-N 3.25Å; S541-T543 WeakPolarHBondContact CB-OG1 3.23Å; S541-T543 PolarHBondContact O-N 2.95Å; S541-T543 PolarHBondContact OG-OG1 3.3Å
544	Y	87.6	Confident	82.5	Confident	64 Å²	64	60.5 Å²	60.5	25%	0.251	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	134	173.4	-64.3	-95.1	0	0	0	110.2	G519 S520 M521 P523 D535 Y537 K546	G519-Y544 WeakPolarHBondContact CA-O 3.41Å; S520-Y544 PolarHBondContact N-O 2.78Å; S520-Y544 PolarHBondContact O-N 3.02Å; M521-Y544 WeakPolarHBondContact O-CE2 3.49Å; P523-Y544 HydrophobicContact CB-CD1 3.91Å; P523-Y544 HydrophobicContact CB-CE1 3.94Å; P523-Y544 HydrophobicContact CB-CG 4.27Å; P523-Y544 HydrophobicContact CG-CE1 4.35Å; D535-Y544 WeakPolarHBondContact OD1-CB 3.38Å; Y537-Y544 HydrophobicContact CD2-CD1 4.06Å; Y537-Y544 AromaticContact CD2-CD2 3.8Å; Y537-Y544 HydrophobicContact CD2-CD2 3.8Å; Y537-Y544 AromaticContact CD2-CE1 3.82Å; Y537-Y544 HydrophobicContact CD2-CE1 3.82Å; Y537-Y544 AromaticContact CD2-CE2 3.53Å; Y537-Y544 HydrophobicContact CD2-CE2 3.53Å; Y537-Y544 HydrophobicContact CD2-CG 4.06Å; Y537-Y544 AromaticContact CD2-CZ 3.53Å; Y537-Y544 HydrophobicContact CE2-CD2 4.32Å; Y537-Y544 AromaticContact CE2-CE2 3.89Å; Y537-Y544 HydrophobicContact CE2-CE2 3.89Å; Y537-Y544 HydrophobicContact CG-CE1 4.19Å; Y544-K546 PolarHBondContact O-N 2.8Å
545	C	84.8	Confident	81.8	Confident	13 Å²	13	63.7 Å²	63.7	9%	0.088	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.5	-177.8	-171.5	0	0	0	0	112.1	C534 D535 V536 C552	C534-C545 HydrophobicContact CB-CB 4.07Å; D535-C545 WeakPolarHBondContact CA-O 3.47Å; D535-C545 PolarHBondContact N-O 3.48Å; V536-C545 PolarHBondContact O-N 2.91Å; C545-C552 VanDerWaalsContact SG-SG 3.65Å
546	K	84.5	Confident	81.1	Confident	46 Å²	46	64.1 Å²	64.1	20%	0.2	33%	0.327	C	S	.	.			trans	-99.9	20.7	-178.2	-60.7	-53.7	-174.1	-173.9	0	114.7	F518 S520 Y522 P523 T524 D535 Y544	F518-K546 PolarHBondContact O-N 2.91Å; S520-K546 WeakPolarHBondContact OG-CE 3.44Å; Y522-K546 WeakPolarHBondContact O-CE 3.14Å; Y522-K546 PolarHBondContact O-NZ 2.88Å; P523-K546 VanDerWaalsContact C-NZ 3.31Å; T524-K546 PolarHBondContact OG1-NZ 3.36Å; D535-K546 IonicContact OD1-NZ 3.52Å; D535-K546 PolarHBondContact OD1-NZ 3.36Å; D535-K546 IonicContact OD2-NZ 3.74Å; Y544-K546 PolarHBondContact O-N 2.8Å
547	R	81.8	Confident	80.2	Confident	14 Å²	14	72.3 Å²	72.3	5%	0.053	35%	0.351	C	S	.	.	S	Bend	trans	-74	147.6	168.4	-60.1	-173.9	-163.4	-137.8	-9.9	109.7	E513 F518 C534 Q549 C552	E513-R547 VanDerWaalsContact CG-NH1 3.28Å; E513-R547 PolarHBondContact O-NH2 3.3Å; E513-R547 VanDerWaalsContact O-NH2 3.1Å; E513-R547 IonicContact OE2-CZ 2.69Å; E513-R547 IonicContact OE2-NH1 2.65Å; E513-R547 PolarHBondContact OE2-NH1 3.19Å; F518-R547 HydrophobicContact CB-CG 4.07Å; F518-R547 HydrophobicContact CD2-CG 4.42Å; F518-R547 HydrophobicContact CG-CG 4.44Å; C534-R547 WeakPolarHBondContact CB-O 3.43Å; C534-R547 PolarHBondContact N-O 3.07Å; R547-Q549 PolarHBondContact O-N 3.34Å; R547-C552 HydrophobicContact CB-CB 3.95Å
548	L	81	Confident	79.1	Confident	16 Å²	16	72.5 Å²	72.5	8%	0.084	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-55.4	133.9	170.2	-160.4	76.6	0	0	0	109	L532 V550 L551 C552 D605 L606 V609	L532-L548 CarbonylContact O-C 3.54Å; L532-L548 WeakPolarHBondContact O-CA 3.34Å; L532-L548 WeakPolarHBondContact O-CD1 3.42Å; L548-V550 HydrophobicContact CD2-CG1 3.8Å; L548-V550 HydrophobicContact CG-CG1 4.15Å; L548-V550 PolarHBondContact O-N 3.31Å; L548-L551 HydrophobicContact CB-CB 4.39Å; L548-L551 HydrophobicContact CD2-CD1 4Å; L548-L551 HydrophobicContact CD2-CG 4.24Å; L548-L551 PolarHBondContact O-N 3.34Å; L548-L551 VanDerWaalsContact O-N 3.1Å; L548-C552 PolarHBondContact O-N 3.4Å; L548-C552 VanDerWaalsContact O-N 3.11Å; L548-D605 HydrophobicContact CD1-CB 4.15Å; L548-D605 HydrophobicContact CD2-CB 3.89Å; L548-D605 HydrophobicContact CG-CB 4.21Å; L548-L606 HydrophobicContact CD2-CD2 4.14Å; L548-L606 HydrophobicContact CD2-CG 3.97Å; L548-V609 HydrophobicContact CD1-CG2 3.67Å
549	Q	82.9	Confident	78.6	Confident	80 Å²	80	74.7 Å²	74.7	37%	0.374	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-57.9	-51.3	-169	178.4	168.3	-58	0	0	111.4	R531 L532 R547 L551 C552 S556	R531-Q549 WeakPolarHBondContact O-CB 3.23Å; R531-Q549 PolarHBondContact O-OE1 2.79Å; L532-Q549 PolarHBondContact O-N 2.83Å; R547-Q549 PolarHBondContact O-N 3.34Å; Q549-L551 PolarHBondContact O-N 3.37Å; Q549-L551 VanDerWaalsContact O-N 3.15Å; Q549-C552 PolarHBondContact O-N 3.3Å; Q549-S556 WeakPolarHBondContact O-CB 3.31Å
550	V	78.2	Confident	78	Confident	18 Å²	18	80.3 Å²	80.3	11%	0.109	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-60.8	-21.8	179.8	55.6	0	0	0	0	114.6	L548 K598 R601 A602 D605	L548-V550 HydrophobicContact CD2-CG1 3.8Å; L548-V550 HydrophobicContact CG-CG1 4.15Å; L548-V550 PolarHBondContact O-N 3.31Å; V550-K598 HydrophobicContact CG2-CG 3.78Å; V550-K598 WeakPolarHBondContact CG2-O 3.1Å; V550-K598 WeakPolarHBondContact O-CE 3.12Å; V550-R601 HydrophobicContact CB-CB 4.43Å; V550-R601 HydrophobicContact CG2-CB 3.73Å; V550-A602 HydrophobicContact CG1-CB 3.85Å; V550-A602 HydrophobicContact CG2-CB 4.31Å; V550-D605 HydrophobicContact CG1-CB 4.32Å
551	L	76.8	Confident	77.5	Confident	74 Å²	74	73.5 Å²	73.5	39%	0.387	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-103.4	-3.8	179.9	-64.8	179.1	0	0	0	114.1	L548 Q549 P553 A602	L548-L551 HydrophobicContact CB-CB 4.39Å; L548-L551 HydrophobicContact CD2-CD1 4Å; L548-L551 HydrophobicContact CD2-CG 4.24Å; L548-L551 PolarHBondContact O-N 3.34Å; L548-L551 VanDerWaalsContact O-N 3.1Å; Q549-L551 PolarHBondContact O-N 3.37Å; Q549-L551 VanDerWaalsContact O-N 3.15Å; L551-P553 WeakPolarHBondContact O-CD 3.32Å; L551-P553 WeakPolarHBondContact O-CG 3.4Å; L551-P553 VanDerWaalsContact O-N 3.16Å; L551-A602 HydrophobicContact CD1-CB 4.15Å; L551-A602 HydrophobicContact CD2-CB 3.68Å; L551-A602 HydrophobicContact CG-CB 3.87Å
552	C	78.3	Confident	77.2	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.364	C	S	.	.			trans	-74.7	99.8	-167.6	-174	0	0	0	0	113.4	C534 C545 R547 L548 Q549 E554 H555 S556	C534-C552 HydrophobicContact CB-CB 3.96Å; C545-C552 VanDerWaalsContact SG-SG 3.65Å; R547-C552 HydrophobicContact CB-CB 3.95Å; L548-C552 PolarHBondContact O-N 3.4Å; L548-C552 VanDerWaalsContact O-N 3.11Å; Q549-C552 PolarHBondContact O-N 3.3Å; C552-E554 PolarHBondContact O-N 3.09Å; C552-H555 PolarHBondContact O-N 3.43Å; C552-H555 VanDerWaalsContact O-N 3.12Å; C552-H555 PolarHBondContact SG-ND1 3.15Å; C552-S556 WeakPolarHBondContact O-CB 3.5Å; C552-S556 PolarHBondContact O-N 3.1Å; C552-S556 PolarHBondContact O-OG 3.02Å
553	P	72.6	Confident	76.5	Confident	62 Å²	62	69.5 Å²	69.5	40%	0.403	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.8	-162.5	-18.6	33.7	0	0	0	114.9	A510 L551	A510-P553 HydrophobicContact CB-CB 3.59Å; A510-P553 HydrophobicContact CB-CG 3.67Å; L551-P553 WeakPolarHBondContact O-CD 3.32Å; L551-P553 WeakPolarHBondContact O-CG 3.4Å; L551-P553 VanDerWaalsContact O-N 3.16Å
554	E	71.2	Confident	76.1	Confident	108 Å²	108	73.8 Å²	73.8	51%	0.505	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-25.6	-177.8	-66.3	165.5	176.1	0	0	112.4	C552	C552-E554 PolarHBondContact O-N 3.09Å
555	H	70.2	Confident	75.9	Confident	72 Å²	72	71.8 Å²	71.8	33%	0.333	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130	-25.6	-165.4	-56.8	102.3	0	0	0	114	C534 V536 C552 R557	C534-H555 WeakPolarHBondContact SG-CB 3.44Å; V536-H555 HydrophobicContact CG2-CB 4.09Å; C552-H555 PolarHBondContact O-N 3.43Å; C552-H555 VanDerWaalsContact O-N 3.12Å; C552-H555 PolarHBondContact SG-ND1 3.15Å; H555-R557 PolarHBondContact O-N 3.34Å; H555-R557 VanDerWaalsContact O-N 3.13Å
556	S	71.5	Confident	76	Confident	27 Å²	27	71.2 Å²	71.2	19%	0.189	37%	0.366	C	S	.	.			trans	-79.2	94	170.4	74.4	0	0	0	0	109.5	Q549 C552 D558	Q549-S556 WeakPolarHBondContact O-CB 3.31Å; C552-S556 WeakPolarHBondContact O-CB 3.5Å; C552-S556 PolarHBondContact O-N 3.1Å; C552-S556 PolarHBondContact O-OG 3.02Å; S556-D558 PolarHBondContact O-N 3.09Å
557	R	65.3	Low	76.1	Confident	230 Å²	230	69.2 Å²	69.2	87%	0.868	36%	0.358	S	S	*	.			trans	-83.7	106.7	172.2	-64.7	-177.2	-179.3	-177.2	0.4	108.6	H555	H555-R557 PolarHBondContact O-N 3.34Å; H555-R557 VanDerWaalsContact O-N 3.13Å
558	D	66.3	Low	76.3	Confident	104 Å²	104	68.6 Å²	68.6	56%	0.556	36%	0.356	S	S	*	.			trans	-57.8	136.3	170.2	-55.9	-69.8	0	0	0	109.4	S556 K598	S556-D558 PolarHBondContact O-N 3.09Å; D558-K598 WeakPolarHBondContact OD1-CD 3.43Å; D558-K598 WeakPolarHBondContact OD1-CE 3.28Å; D558-K598 IonicContact OD1-NZ 3.51Å; D558-K598 PolarHBondContact OD1-NZ 2.9Å; D558-K598 IonicContact OD2-NZ 3.85Å; D558-K598 PolarHBondContact OD2-NZ 2.97Å
559	P	72.6	Confident	76.5	Confident	112 Å²	112	68.5 Å²	68.5	73%	0.727	36%	0.357	S	S	*	.			trans	-56.9	152.4	177.5	-26.9	35.3	0	0	0	112.7	V561	P559-V561 PolarHBondContact O-N 3.14Å
560	K	71.4	Confident	76.6	Confident	213 Å²	213	65.2 Å²	65.2	93%	0.926	34%	0.342	S	S	*	.			trans	-67.1	97	170.6	-76.3	-176.1	177.8	179.9	0	109.6	P562	K560-P562 WeakPolarHBondContact O-CD 3.31Å
561	V	72.6	Confident	76.6	Confident	44 Å²	44	68.7 Å²	68.7	27%	0.267	36%	0.36	S	S	.	.			trans	-52.7	114.8	169.8	172.4	0	0	0	0	109.6	P559 E565 K587 R588	P559-V561 PolarHBondContact O-N 3.14Å; V561-E565 HydrophobicContact CG1-CB 4.05Å; V561-E565 WeakPolarHBondContact CG1-OE2 3.45Å; V561-E565 WeakPolarHBondContact CG2-OE2 3.3Å; V561-K587 HydrophobicContact CG1-CB 4.04Å; V561-K587 HydrophobicContact CG1-CD 4.04Å; V561-K587 HydrophobicContact CG1-CG 4.11Å; V561-K587 HydrophobicContact CG2-CD 4.26Å; V561-R588 HydrophobicContact CG1-CG 3.6Å
562	P	77.4	Confident	76.2	Confident	68 Å²	68	66.8 Å²	66.8	44%	0.442	35%	0.351	S	S	.	.			trans	-65.5	169.9	172.5	26.5	-31	0	0	0	110.9	K560 D564 E565	K560-P562 WeakPolarHBondContact O-CD 3.31Å; P562-D564 PolarHBondContact O-N 2.96Å; P562-E565 HydrophobicContact CG-CB 4.02Å
563	A	72.3	Confident	75.2	Confident	59 Å²	59	75.3 Å²	75.3	49%	0.488	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-36.9	178.9	0	0	0	0	0	111.5	E565	A563-E565 PolarHBondContact O-N 3.41Å
564	D	78.8	Confident	74.5	Confident	126 Å²	126	77 Å²	77	67%	0.674	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7	-166.7	-25.3	-77.5	0	0	0	112.3	V469 P562 V566	V469-D564 VanDerWaalsContact CG2-O 3.31Å; V469-D564 WeakPolarHBondContact CG2-O 3.49Å; P562-D564 PolarHBondContact O-N 2.96Å; D564-V566 PolarHBondContact O-N 3.29Å
565	E	83.6	Confident	74.1	Confident	21 Å²	21	72.2 Å²	72.2	10%	0.098	37%	0.367	C	S	.	.			trans	-74.8	117	171.4	-153.8	-178.3	169.6	0	0	109.2	K465 V561 P562 A563 K587	K465-E565 HydrophobicContact CG-CG 4.46Å; K465-E565 IonicContact NZ-OE1 3.63Å; K465-E565 PolarHBondContact NZ-OE1 3.21Å; V561-E565 HydrophobicContact CG1-CB 4.05Å; V561-E565 WeakPolarHBondContact CG1-OE2 3.45Å; V561-E565 WeakPolarHBondContact CG2-OE2 3.3Å; P562-E565 HydrophobicContact CG-CB 4.02Å; A563-E565 PolarHBondContact O-N 3.41Å; E565-K587 HydrophobicContact CB-CB 4.36Å; E565-K587 HydrophobicContact CB-CD 4.28Å; E565-K587 VanDerWaalsContact CD-NZ 3.27Å; E565-K587 HydrophobicContact CG-CD 3.93Å; E565-K587 WeakPolarHBondContact O-CB 3.36Å; E565-K587 PolarHBondContact O-N 2.62Å; E565-K587 IonicContact OE1-NZ 2.69Å; E565-K587 PolarHBondContact OE1-NZ 3.12Å; E565-K587 IonicContact OE2-NZ 2.76Å; E565-K587 PolarHBondContact OE2-NZ 2.89Å
566	V	87.1	Confident	73.7	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.012	37%	0.366	C	S	.	.	B	Isolated β-bridge	trans	-60.4	152	168.3	-72	0	0	0	0	111.4	A464 Q467 A468 V469 D564 G568 R584	A464-V566 WeakPolarHBondContact O-CG2 3.07Å; Q467-V566 HydrophobicContact CB-CG1 4.41Å; Q467-V566 HydrophobicContact CB-CG2 4.19Å; Q467-V566 VanDerWaalsContact O-CG1 3.27Å; Q467-V566 WeakPolarHBondContact O-CG1 3.39Å; A468-V566 WeakPolarHBondContact O-CG1 3.34Å; V469-V566 HydrophobicContact CB-CG1 4.29Å; V469-V566 HydrophobicContact CG2-CG1 3.65Å; D564-V566 PolarHBondContact O-N 3.29Å; V566-G568 PolarHBondContact O-N 2.9Å; V566-R584 HydrophobicContact CG1-CB 4.43Å
567	C	86.7	Confident	73.3	Confident	3 Å²	3	76.9 Å²	76.9	2%	0.02	39%	0.385	C	S	.	.			trans	-53	-43.9	168.9	171.8	0	0	0	0	111.4	C569 C583 L585 C590 W596	C567-C569 PolarHBondContact O-N 3.38Å; C567-C569 VanDerWaalsContact O-N 3.13Å; C567-C583 HydrophobicContact CB-CB 4.09Å; C567-C583 WeakPolarHBondContact CB-O 3.45Å; C567-L585 VanDerWaalsContact CB-O 3.27Å; C567-L585 WeakPolarHBondContact CB-O 3.29Å; C567-L585 PolarHBondContact N-O 2.8Å; C567-C590 HydrophobicContact CB-CB 3.69Å; C567-C590 PolarHBondContact SG-SG 3.19Å; C567-W596 PolarHBondContact O-NE1 3.25Å
568	G	85.9	Confident	73	Confident	2 Å²	2	72 Å²	72	2%	0.021	38%	0.376	C	S	.	.			trans	71.2	4.4	170.2	0	0	0	0	0	115.6	A464 V566 P570 F582 C583 W596	A464-G568 VanDerWaalsContact CB-O 3.22Å; A464-G568 WeakPolarHBondContact CB-O 3.38Å; V566-G568 PolarHBondContact O-N 2.9Å; G568-P570 WeakPolarHBondContact O-CD 3.48Å; G568-F582 WeakPolarHBondContact O-CD1 3.06Å; G568-C583 PolarHBondContact N-O 3.19Å; G568-W596 VanDerWaalsContact C-CZ2 3.49Å; G568-W596 WeakPolarHBondContact O-CZ2 3.37Å
569	C	84.7	Confident	72.7	Confident	14 Å²	14	71.5 Å²	71.5	10%	0.095	38%	0.376	C	S	.	.			trans	-65.6	125.3	176.4	-171.5	0	0	0	0	110.3	C567 L571 C583 H593 W596	C567-C569 PolarHBondContact O-N 3.38Å; C567-C569 VanDerWaalsContact O-N 3.13Å; C569-L571 PolarHBondContact O-N 3.31Å; C569-C583 HydrophobicContact CB-CB 4.21Å; C569-C583 WeakPolarHBondContact O-CB 3.44Å; C569-C583 PolarHBondContact O-N 2.91Å; C569-H593 HydrophobicContact CB-CB 3.72Å; C569-W596 VanDerWaalsContact CA-CE2 3.46Å; C569-W596 HydrophobicContact CB-CD2 3.91Å; C569-W596 HydrophobicContact CB-CG 3.86Å
570	P	84.3	Confident	72.4	Confident	11 Å²	11	68.6 Å²	68.6	7%	0.071	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-57.6	134.8	172.8	-27.2	37.4	0	0	0	111.7	I460 G568 V572 V575 D581 F582 W596	I460-P570 HydrophobicContact CG2-CG 3.57Å; G568-P570 WeakPolarHBondContact O-CD 3.48Å; P570-V572 HydrophobicContact CB-CG1 4.24Å; P570-V572 HydrophobicContact CB-CG2 3.72Å; P570-V572 PolarHBondContact O-N 3.22Å; P570-V572 VanDerWaalsContact O-N 3.09Å; P570-V575 HydrophobicContact CG-CG1 4.36Å; P570-D581 WeakPolarHBondContact CA-O 3.26Å; P570-F582 HydrophobicContact CG-CD1 4.1Å; P570-F582 HydrophobicContact CG-CE1 4.03Å; P570-W596 HydrophobicContact CG-CH2 4.48Å
571	L	78.8	Confident	72.7	Confident	90 Å²	90	62.6 Å²	62.6	47%	0.471	35%	0.345	S	S	.	.	S	Bend	trans	-88.5	53.2	-175.8	-61.5	-176.6	0	0	0	111.8	C569 D581 C583	C569-L571 PolarHBondContact O-N 3.31Å; L571-D581 HydrophobicContact CB-CB 4.23Å; L571-D581 HydrophobicContact CD1-CB 4.21Å; L571-D581 HydrophobicContact CG-CB 4.5Å; L571-D581 PolarHBondContact N-O 3.39Å; L571-C583 HydrophobicContact CD2-CB 3.93Å
572	V	69.1	Low	73.4	Confident	35 Å²	35	61.9 Å²	61.9	21%	0.212	34%	0.338	C	S	.	.	S	Bend	trans	-133	170.9	-163.8	-55.4	0	0	0	0	112	P570 V575 E577 T579	P570-V572 HydrophobicContact CB-CG1 4.24Å; P570-V572 HydrophobicContact CB-CG2 3.72Å; P570-V572 PolarHBondContact O-N 3.22Å; P570-V572 VanDerWaalsContact O-N 3.09Å; V572-V575 VanDerWaalsContact CG2-CA 3.47Å; V572-E577 WeakPolarHBondContact CB-O 3.38Å; V572-E577 WeakPolarHBondContact CG1-O 3.46Å; V572-E577 WeakPolarHBondContact CG2-O 3.45Å; V572-T579 HydrophobicContact CG1-CG2 4.04Å; V572-T579 WeakPolarHBondContact CG1-OG1 3.43Å
573	R	56.3	Low	73.8	Confident	178 Å²	178	59.2 Å²	59.2	67%	0.672	32%	0.321	S	S	*	.	S	Bend	trans	-79.6	131.3	160.3	-84.2	-177.5	160.9	148.2	-2.9	109.9	V575 E577	R573-V575 VanDerWaalsContact C-N 3.32Å; R573-V575 PolarHBondContact O-N 2.95Å; R573-V575 VanDerWaalsContact O-N 3.08Å; R573-E577 WeakPolarHBondContact CB-OE2 3.27Å
574	D	59.6	Low	74.4	Confident	98 Å²	98	62 Å²	62	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	50	27.7	174.7	-147.3	32.6	0	0	0	119.9	F576 R600	D574-F576 WeakPolarHBondContact O-CD2 3.4Å; D574-F576 PolarHBondContact O-N 3.46Å; D574-R600 IonicContact OD1-CZ 3.34Å; D574-R600 VanDerWaalsContact OD1-CZ 3.23Å; D574-R600 IonicContact OD1-NH1 2.76Å; D574-R600 PolarHBondContact OD1-NH1 3.3Å; D574-R600 IonicContact OD1-NH2 4Å; D574-R600 PolarHBondContact OD1-NH2 3.26Å
575	V	61.5	Low	74.6	Confident	8 Å²	8	59 Å²	59	5%	0.048	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	-32.6	171.1	172.7	0	0	0	0	116.4	L457 I460 P570 V572 R573 R600	L457-V575 HydrophobicContact CD1-CG1 4.11Å; I460-V575 HydrophobicContact CD1-CG1 4.28Å; P570-V575 HydrophobicContact CG-CG1 4.36Å; V572-V575 VanDerWaalsContact CG2-CA 3.47Å; R573-V575 VanDerWaalsContact C-N 3.32Å; R573-V575 PolarHBondContact O-N 2.95Å; R573-V575 VanDerWaalsContact O-N 3.08Å; V575-R600 HydrophobicContact CG2-CG 4.37Å
576	F	62.2	Low	74.7	Confident	70 Å²	70	58.8 Å²	58.8	31%	0.307	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-22.1	-177.6	-58.4	-77.9	0	0	0	113.7	R453 D574	R453-F576 HydrophobicContact CB-CE1 4.24Å; R453-F576 HydrophobicContact CB-CZ 4.3Å; R453-F576 HydrophobicContact CG-CE1 4.42Å; D574-F576 WeakPolarHBondContact O-CD2 3.4Å; D574-F576 PolarHBondContact O-N 3.46Å
577	E	64.1	Low	74.5	Confident	126 Å²	126	61.3 Å²	61.3	59%	0.589	31%	0.314	S	S	*	.	S	Bend	trans	-76.1	122	168.6	-58.8	179.7	169.5	0	0	108.7	V572 R573	V572-E577 WeakPolarHBondContact CB-O 3.38Å; V572-E577 WeakPolarHBondContact CG1-O 3.46Å; V572-E577 WeakPolarHBondContact CG2-O 3.45Å; R573-E577 WeakPolarHBondContact CB-OE2 3.27Å
578	L	57.4	Low	74.1	Confident	128 Å²	128	69.6 Å²	69.6	67%	0.67	35%	0.345	S	S	*	.			trans	-97.1	114.2	-171.2	-66.6	170	0	0	0	112.7
579	T	60.6	Low	73.7	Confident	93 Å²	93	76.1 Å²	76.1	57%	0.571	38%	0.375	S	S	*	.			trans	-90.2	-13.3	155.8	61.8	0	0	0	0	112.7	V572 D581	V572-T579 HydrophobicContact CG1-CG2 4.04Å; V572-T579 WeakPolarHBondContact CG1-OG1 3.43Å; T579-D581 VanDerWaalsContact C-N 3.31Å; T579-D581 PolarHBondContact O-N 2.95Å
580	G	65.7	Low	73.5	Confident	51 Å²	51	75.9 Å²	75.9	53%	0.526	37%	0.373	S	S	.	.			trans	88.3	-17.8	-176.8	0	0	0	0	0	115
581	D	79.4	Confident	73.1	Confident	88 Å²	88	81.3 Å²	81.3	47%	0.471	40%	0.401	S	S	.	.			trans	-87.3	143.6	-175.6	-81.4	-49.2	0	0	0	114.6	P570 L571 T579	P570-D581 WeakPolarHBondContact CA-O 3.26Å; L571-D581 HydrophobicContact CB-CB 4.23Å; L571-D581 HydrophobicContact CD1-CB 4.21Å; L571-D581 HydrophobicContact CG-CB 4.5Å; L571-D581 PolarHBondContact N-O 3.39Å; T579-D581 VanDerWaalsContact C-N 3.31Å; T579-D581 PolarHBondContact O-N 2.95Å
582	F	86	Confident	72.9	Confident	28 Å²	28	87.1 Å²	87.1	12%	0.123	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-123.6	149.4	178.9	-59.8	-81.1	0	0	0	111.8	I460 R463 A464 Q467 G568 P570 R584	I460-F582 HydrophobicContact CG2-CE1 4.17Å; R463-F582 HydrophobicContact CB-CZ 4.23Å; A464-F582 HydrophobicContact CB-CD1 3.58Å; A464-F582 HydrophobicContact CB-CE1 3.64Å; A464-F582 HydrophobicContact CB-CG 4.19Å; A464-F582 HydrophobicContact CB-CZ 4.31Å; Q467-F582 HydrophobicContact CG-CB 4.45Å; Q467-F582 HydrophobicContact CG-CD2 3.93Å; Q467-F582 HydrophobicContact CG-CG 4.47Å; G568-F582 WeakPolarHBondContact O-CD1 3.06Å; P570-F582 HydrophobicContact CG-CD1 4.1Å; P570-F582 HydrophobicContact CG-CE1 4.03Å; F582-R584 WeakPolarHBondContact O-CG 3.15Å; F582-R584 PolarHBondContact O-N 2.94Å; F582-R584 VanDerWaalsContact O-N 3.13Å
583	C	85.9	Confident	73.4	Confident	12 Å²	12	87.8 Å²	87.8	8%	0.081	42%	0.418	C	S	.	.			trans	-68.8	106.2	173.3	-169.9	0	0	0	0	111.3	C567 G568 C569 L571 C590 H593	C567-C583 HydrophobicContact CB-CB 4.09Å; C567-C583 WeakPolarHBondContact CB-O 3.45Å; G568-C583 PolarHBondContact N-O 3.19Å; C569-C583 HydrophobicContact CB-CB 4.21Å; C569-C583 WeakPolarHBondContact O-CB 3.44Å; C569-C583 PolarHBondContact O-N 2.91Å; L571-C583 HydrophobicContact CD2-CB 3.93Å; C583-C590 VanDerWaalsContact SG-SG 3.66Å; C583-H593 PolarHBondContact SG-ND1 3.28Å; C583-H593 VanDerWaalsContact SG-ND1 3.45Å
584	R	84.6	Confident	74.4	Confident	119 Å²	119	82.5 Å²	82.5	45%	0.449	40%	0.398	S	S	.	.			trans	-86.1	3.1	-176.6	-52.1	-169	-168.9	-165.4	2	115.6	V469 R470 V566 F582	V469-R584 WeakPolarHBondContact CA-O 3.24Å; R470-R584 HydrophobicContact CB-CB 4.24Å; R470-R584 PolarHBondContact N-O 2.81Å; V566-R584 HydrophobicContact CG1-CB 4.43Å; F582-R584 WeakPolarHBondContact O-CG 3.15Å; F582-R584 PolarHBondContact O-N 2.94Å; F582-R584 VanDerWaalsContact O-N 3.13Å
585	L	83.9	Confident	75.2	Confident	61 Å²	61	80.3 Å²	80.3	32%	0.319	39%	0.39	S	S	.	.	S	Bend	trans	-63.7	149.1	172.9	-70.6	173.5	0	0	0	110.6	C567 K587 C590	C567-L585 VanDerWaalsContact CB-O 3.27Å; C567-L585 WeakPolarHBondContact CB-O 3.29Å; C567-L585 PolarHBondContact N-O 2.8Å; L585-K587 PolarHBondContact O-N 2.99Å; L585-C590 HydrophobicContact CB-CB 4.1Å
586	P	84.3	Confident	76.2	Confident	17 Å²	17	80.9 Å²	80.9	11%	0.11	39%	0.391	C	S	.	.	B	Isolated β-bridge	trans	-55	130.2	174.5	-22.7	30.7	0	0	0	111.8	V469 R588 Q589 C590	V469-P586 HydrophobicContact CG1-CG 3.81Å; P586-R588 PolarHBondContact O-N 2.75Å; P586-Q589 HydrophobicContact CB-CB 4.21Å; P586-Q589 HydrophobicContact CB-CG 4.08Å; P586-Q589 HydrophobicContact CG-CG 4.47Å; P586-Q589 PolarHBondContact O-N 2.71Å; P586-C590 PolarHBondContact O-N 3.38Å
587	K	83.8	Confident	77.4	Confident	55 Å²	55	78.3 Å²	78.3	24%	0.239	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.3	-177	-172.8	165	170.5	174.6	0	113.7	V561 E565 L585 E597	V561-K587 HydrophobicContact CG1-CB 4.04Å; V561-K587 HydrophobicContact CG1-CD 4.04Å; V561-K587 HydrophobicContact CG1-CG 4.11Å; V561-K587 HydrophobicContact CG2-CD 4.26Å; E565-K587 HydrophobicContact CB-CB 4.36Å; E565-K587 HydrophobicContact CB-CD 4.28Å; E565-K587 VanDerWaalsContact CD-NZ 3.27Å; E565-K587 HydrophobicContact CG-CD 3.93Å; E565-K587 WeakPolarHBondContact O-CB 3.36Å; E565-K587 PolarHBondContact O-N 2.62Å; E565-K587 IonicContact OE1-NZ 2.69Å; E565-K587 PolarHBondContact OE1-NZ 3.12Å; E565-K587 IonicContact OE2-NZ 2.76Å; E565-K587 PolarHBondContact OE2-NZ 2.89Å; L585-K587 PolarHBondContact O-N 2.99Å; K587-E597 IonicContact NZ-OE1 3.41Å; K587-E597 PolarHBondContact NZ-OE1 3.12Å; K587-E597 IonicContact NZ-OE2 2.72Å
588	R	79.1	Confident	78.2	Confident	178 Å²	178	73.9 Å²	73.9	67%	0.672	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-15.3	179	-51.2	-179.1	77.3	-176.3	3.6	113.3	V561 P586	V561-R588 HydrophobicContact CG1-CG 3.6Å; P586-R588 PolarHBondContact O-N 2.75Å
589	Q	77.7	Confident	79.4	Confident	139 Å²	139	73 Å²	73	65%	0.65	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-19.8	-177	-58.7	179.5	9.2	0	0	113	P586 N591	P586-Q589 HydrophobicContact CB-CB 4.21Å; P586-Q589 HydrophobicContact CB-CG 4.08Å; P586-Q589 HydrophobicContact CG-CG 4.47Å; P586-Q589 PolarHBondContact O-N 2.71Å; Q589-N591 PolarHBondContact O-N 3Å; Q589-N591 PolarHBondContact O-ND2 3.28Å
590	C	80	Confident	80.5	Confident	8 Å²	8	71.1 Å²	71.1	5%	0.054	34%	0.337	C	S	.	.			trans	-70.2	89.4	-177	-168.4	0	0	0	0	113.5	C567 C583 L585 P586 R592	C567-C590 HydrophobicContact CB-CB 3.69Å; C567-C590 PolarHBondContact SG-SG 3.19Å; C583-C590 VanDerWaalsContact SG-SG 3.66Å; L585-C590 HydrophobicContact CB-CB 4.1Å; P586-C590 PolarHBondContact O-N 3.38Å; C590-R592 PolarHBondContact O-N 3.36Å
591	N	75.7	Confident	81.4	Confident	125 Å²	125	71.3 Å²	71.3	67%	0.668	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-66.6	-21.2	176.2	-65.3	-52.5	0	0	0	113.8	Q589	Q589-N591 PolarHBondContact O-N 3Å; Q589-N591 PolarHBondContact O-ND2 3.28Å
592	R	74.9	Confident	81.7	Confident	213 Å²	213	67.4 Å²	67.4	80%	0.804	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-75	-26.5	-176.2	-71.3	179.8	64.8	158.7	-1.2	114.4	C590	C590-R592 PolarHBondContact O-N 3.36Å
593	H	78.8	Confident	81.5	Confident	48 Å²	48	70.8 Å²	70.8	22%	0.222	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-132	40.2	-174.1	-48.9	125.9	0	0	0	111.7	C569 C583 C595 W596	C569-H593 HydrophobicContact CB-CB 3.72Å; C583-H593 PolarHBondContact SG-ND1 3.28Å; C583-H593 VanDerWaalsContact SG-ND1 3.45Å; H593-C595 PolarHBondContact O-N 3.16Å; H593-W596 HydrophobicContact CB-CB 4.34Å; H593-W596 HydrophobicContact CB-CG 4.44Å; H593-W596 PolarHBondContact O-N 2.75Å
594	Y	76.6	Confident	81.5	Confident	67 Å²	67	70.8 Å²	70.8	26%	0.263	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	120.9	-176.8	178.3	-93.2	0	0	0	112.3	L502 R503 E506 W596	L502-Y594 HydrophobicContact CB-CD1 3.9Å; L502-Y594 HydrophobicContact CB-CE1 3.9Å; L502-Y594 HydrophobicContact CB-CG 4.47Å; L502-Y594 HydrophobicContact CD1-CD1 3.71Å; L502-Y594 HydrophobicContact CD1-CG 3.8Å; L502-Y594 HydrophobicContact CG-CD1 4.41Å; R503-Y594 HydrophobicContact CG-CE2 4.04Å; R503-Y594 WeakPolarHBondContact CG-OH 3.36Å; E506-Y594 VanDerWaalsContact OE2-CE1 3.31Å; E506-Y594 WeakPolarHBondContact OE2-CE1 3.34Å; E506-Y594 PolarHBondContact OE2-OH 3.23Å; Y594-W596 PolarHBondContact O-N 3.22Å; Y594-W596 VanDerWaalsContact O-N 3.11Å
595	C	76.9	Confident	81.6	Confident	52 Å²	52	65.6 Å²	65.6	35%	0.351	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	27.2	178.9	-64.2	0	0	0	0	116	H593 E597 K598 L599	H593-C595 PolarHBondContact O-N 3.16Å; C595-E597 VanDerWaalsContact C-N 3.29Å; C595-E597 PolarHBondContact O-N 3.49Å; C595-E597 VanDerWaalsContact O-N 3.17Å; C595-K598 HydrophobicContact CB-CB 4.43Å; C595-K598 WeakPolarHBondContact O-CB 3.27Å; C595-K598 PolarHBondContact O-N 3.19Å; C595-L599 PolarHBondContact O-N 3.22Å; C595-L599 VanDerWaalsContact O-N 3.17Å
596	W	83.6	Confident	81.6	Confident	20 Å²	20	66 Å²	66	8%	0.076	30%	0.301	C	S	.	.	H	α-helix	trans	-52.5	-40.9	-175.4	76.8	-86.9	0	0	0	113.7	L457 I461 C567 G568 C569 P570 H593 Y594 K598 L599 R600	L457-W596 HydrophobicContact CD1-CZ3 4.24Å; I461-W596 HydrophobicContact CD1-CH2 4.35Å; I461-W596 HydrophobicContact CG1-CH2 3.52Å; I461-W596 HydrophobicContact CG1-CZ2 4.09Å; I461-W596 HydrophobicContact CG1-CZ3 4.22Å; C567-W596 PolarHBondContact O-NE1 3.25Å; G568-W596 VanDerWaalsContact C-CZ2 3.49Å; G568-W596 WeakPolarHBondContact O-CZ2 3.37Å; C569-W596 VanDerWaalsContact CA-CE2 3.46Å; C569-W596 HydrophobicContact CB-CD2 3.91Å; C569-W596 HydrophobicContact CB-CG 3.86Å; P570-W596 HydrophobicContact CG-CH2 4.48Å; H593-W596 HydrophobicContact CB-CB 4.34Å; H593-W596 HydrophobicContact CB-CG 4.44Å; H593-W596 PolarHBondContact O-N 2.75Å; Y594-W596 PolarHBondContact O-N 3.22Å; Y594-W596 VanDerWaalsContact O-N 3.11Å; W596-K598 VanDerWaalsContact C-N 3.29Å; W596-K598 PolarHBondContact O-N 3.44Å; W596-L599 PolarHBondContact O-N 3.38Å; W596-R600 HydrophobicContact CE3-CG 4.3Å; W596-R600 PolarHBondContact O-N 3.43Å
597	E	86.3	Confident	81.8	Confident	16 Å²	16	66.9 Å²	66.9	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-55.7	-45.1	177.3	-61.2	-176.1	-161.1	0	0	111.7	I461 K465 K587 C595 R601	I461-E597 HydrophobicContact CD1-CB 3.91Å; I461-E597 HydrophobicContact CD1-CG 3.92Å; I461-E597 HydrophobicContact CG1-CG 4.06Å; I461-E597 HydrophobicContact CG2-CG 4.25Å; K465-E597 IonicContact NZ-OE1 3.58Å; K465-E597 IonicContact NZ-OE2 3.35Å; K587-E597 IonicContact NZ-OE1 3.41Å; K587-E597 PolarHBondContact NZ-OE1 3.12Å; K587-E597 IonicContact NZ-OE2 2.72Å; C595-E597 VanDerWaalsContact C-N 3.29Å; C595-E597 PolarHBondContact O-N 3.49Å; C595-E597 VanDerWaalsContact O-N 3.17Å; E597-R601 WeakPolarHBondContact O-CB 3.41Å; E597-R601 VanDerWaalsContact O-CG 3.25Å; E597-R601 WeakPolarHBondContact O-CG 3.45Å; E597-R601 PolarHBondContact O-N 3.04Å; E597-R601 IonicContact OE2-CZ 3.34Å; E597-R601 IonicContact OE2-NH1 3.87Å; E597-R601 PolarHBondContact OE2-NH1 3.48Å; E597-R601 IonicContact OE2-NH2 2.63Å
598	K	81.8	Confident	82	Confident	33 Å²	33	64.3 Å²	64.3	14%	0.143	29%	0.292	C	S	.	.	H	α-helix	trans	-70.4	-37.4	-176.4	-167.1	173.7	-170.2	165.1	0	111	V550 D558 C595 W596 A602	V550-K598 HydrophobicContact CG2-CG 3.78Å; V550-K598 WeakPolarHBondContact CG2-O 3.1Å; V550-K598 WeakPolarHBondContact O-CE 3.12Å; D558-K598 WeakPolarHBondContact OD1-CD 3.43Å; D558-K598 WeakPolarHBondContact OD1-CE 3.28Å; D558-K598 IonicContact OD1-NZ 3.51Å; D558-K598 PolarHBondContact OD1-NZ 2.9Å; D558-K598 IonicContact OD2-NZ 3.85Å; D558-K598 PolarHBondContact OD2-NZ 2.97Å; C595-K598 HydrophobicContact CB-CB 4.43Å; C595-K598 WeakPolarHBondContact O-CB 3.27Å; C595-K598 PolarHBondContact O-N 3.19Å; W596-K598 VanDerWaalsContact C-N 3.29Å; W596-K598 PolarHBondContact O-N 3.44Å; K598-A602 VanDerWaalsContact O-CB 3.24Å; K598-A602 WeakPolarHBondContact O-CB 3.25Å; K598-A602 PolarHBondContact O-N 2.88Å
599	L	81.8	Confident	82.4	Confident	111 Å²	111	56.5 Å²	56.5	58%	0.581	26%	0.264	S	S	*	.	H	α-helix	trans	-67.3	-45.2	175.7	-64.1	173.6	0	0	0	111.7	C595 W596 A602 E603	C595-L599 PolarHBondContact O-N 3.22Å; C595-L599 VanDerWaalsContact O-N 3.17Å; W596-L599 PolarHBondContact O-N 3.38Å; L599-A602 PolarHBondContact O-N 3.48Å; L599-E603 WeakPolarHBondContact O-CB 3.44Å; L599-E603 PolarHBondContact O-N 2.91Å
600	R	83.5	Confident	82.9	Confident	53 Å²	53	56.9 Å²	56.9	20%	0.2	26%	0.26	C	S	.	.	H	α-helix	trans	-70.7	-38.1	178.6	-68.9	-56.6	-161.4	158.9	11.7	113.2	L457 D574 V575 W596 A602 E603 V604	L457-R600 HydrophobicContact CD1-CB 4.03Å; L457-R600 HydrophobicContact CD2-CB 3.79Å; D574-R600 IonicContact OD1-CZ 3.34Å; D574-R600 VanDerWaalsContact OD1-CZ 3.23Å; D574-R600 IonicContact OD1-NH1 2.76Å; D574-R600 PolarHBondContact OD1-NH1 3.3Å; D574-R600 IonicContact OD1-NH2 4Å; D574-R600 PolarHBondContact OD1-NH2 3.26Å; V575-R600 HydrophobicContact CG2-CG 4.37Å; W596-R600 HydrophobicContact CE3-CG 4.3Å; W596-R600 PolarHBondContact O-N 3.43Å; R600-A602 VanDerWaalsContact C-N 3.35Å; R600-E603 WeakPolarHBondContact CD-OE2 3.49Å; R600-E603 IonicContact CZ-OE2 3.12Å; R600-E603 IonicContact NE-OE2 3.06Å; R600-E603 IonicContact NH1-OE1 3.72Å; R600-E603 IonicContact NH1-OE2 3.72Å; R600-E603 PolarHBondContact NH1-OE2 3.05Å; R600-E603 PolarHBondContact O-N 2.8Å; R600-V604 PolarHBondContact O-N 3.43Å; R600-V604 VanDerWaalsContact O-N 3.09Å
601	R	85.8	Confident	83.4	Confident	54 Å²	54	56.8 Å²	56.8	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-57.3	-48.7	168.8	-77.5	170.8	178.4	124.4	7.3	110.9	L457 E458 V550 E597 E603 V604 D605	L457-R601 HydrophobicContact CD2-CG 4.04Å; E458-R601 WeakPolarHBondContact OE1-CG 3.3Å; E458-R601 IonicContact OE1-CZ 3.59Å; E458-R601 IonicContact OE1-NE 2.84Å; E458-R601 PolarHBondContact OE1-NE 2.99Å; E458-R601 IonicContact OE1-NH2 3.77Å; E458-R601 PolarHBondContact OE1-NH2 2.92Å; E458-R601 IonicContact OE2-CZ 2.63Å; E458-R601 IonicContact OE2-NE 2.64Å; E458-R601 IonicContact OE2-NH2 2.68Å; E458-R601 PolarHBondContact OE2-NH2 3.33Å; V550-R601 HydrophobicContact CB-CB 4.43Å; V550-R601 HydrophobicContact CG2-CB 3.73Å; E597-R601 WeakPolarHBondContact O-CB 3.41Å; E597-R601 VanDerWaalsContact O-CG 3.25Å; E597-R601 WeakPolarHBondContact O-CG 3.45Å; E597-R601 PolarHBondContact O-N 3.04Å; E597-R601 IonicContact OE2-CZ 3.34Å; E597-R601 IonicContact OE2-NH1 3.87Å; E597-R601 PolarHBondContact OE2-NH1 3.48Å; E597-R601 IonicContact OE2-NH2 2.63Å; R601-E603 VanDerWaalsContact C-N 3.31Å; R601-E603 PolarHBondContact O-N 3.35Å; R601-V604 PolarHBondContact O-N 2.81Å; R601-D605 WeakPolarHBondContact O-CB 3.45Å; R601-D605 PolarHBondContact O-N 3.3Å
602	A	83.9	Confident	84	Confident	6 Å²	6	53.9 Å²	53.9	5%	0.05	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-33.9	178.2	0	0	0	0	0	113.5	V550 L551 K598 L599 R600 L606	V550-A602 HydrophobicContact CG1-CB 3.85Å; V550-A602 HydrophobicContact CG2-CB 4.31Å; L551-A602 HydrophobicContact CD1-CB 4.15Å; L551-A602 HydrophobicContact CD2-CB 3.68Å; L551-A602 HydrophobicContact CG-CB 3.87Å; K598-A602 VanDerWaalsContact O-CB 3.24Å; K598-A602 WeakPolarHBondContact O-CB 3.25Å; K598-A602 PolarHBondContact O-N 2.88Å; L599-A602 PolarHBondContact O-N 3.48Å; R600-A602 VanDerWaalsContact C-N 3.35Å; A602-L606 WeakPolarHBondContact O-CB 3.26Å; A602-L606 WeakPolarHBondContact O-CG 3.25Å; A602-L606 PolarHBondContact O-N 3.21Å
603	E	83.1	Confident	84.7	Confident	100 Å²	100	49.9 Å²	49.9	47%	0.467	22%	0.224	S	C	.	.	H	α-helix	trans	-64.8	-49.7	174.7	-178.3	172.6	-150	0	0	112.1	L599 R600 R601 L606 E607	L599-E603 WeakPolarHBondContact O-CB 3.44Å; L599-E603 PolarHBondContact O-N 2.91Å; R600-E603 WeakPolarHBondContact CD-OE2 3.49Å; R600-E603 IonicContact CZ-OE2 3.12Å; R600-E603 IonicContact NE-OE2 3.06Å; R600-E603 IonicContact NH1-OE1 3.72Å; R600-E603 IonicContact NH1-OE2 3.72Å; R600-E603 PolarHBondContact NH1-OE2 3.05Å; R600-E603 PolarHBondContact O-N 2.8Å; R601-E603 VanDerWaalsContact C-N 3.31Å; R601-E603 PolarHBondContact O-N 3.35Å; E603-L606 PolarHBondContact O-N 2.88Å; E603-E607 PolarHBondContact O-N 2.74Å; E603-E607 VanDerWaalsContact O-N 3.13Å
604	V	86.4	Confident	85.3	Confident	12 Å²	12	51.1 Å²	51.1	7%	0.073	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-46.3	176.7	176.8	0	0	0	0	110.9	M450 F454 L457 R600 R601 L606 E607 R608	M450-V604 WeakPolarHBondContact O-CG1 3.36Å; F454-V604 HydrophobicContact CB-CG1 3.98Å; F454-V604 HydrophobicContact CD2-CG1 4.47Å; L457-V604 HydrophobicContact CD2-CG2 4.42Å; R600-V604 PolarHBondContact O-N 3.43Å; R600-V604 VanDerWaalsContact O-N 3.09Å; R601-V604 PolarHBondContact O-N 2.81Å; V604-L606 PolarHBondContact O-N 3.25Å; V604-E607 PolarHBondContact O-N 3.18Å; V604-E607 VanDerWaalsContact O-N 3.14Å; V604-R608 HydrophobicContact CG1-CG 4.42Å; V604-R608 WeakPolarHBondContact O-CG 3.35Å; V604-R608 PolarHBondContact O-N 3.01Å
605	D	86.8	Confident	86.1	Confident	9 Å²	9	48.9 Å²	48.9	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-66.3	-34.1	179.6	-76.1	-20.3	0	0	0	112.9	L532 L548 V550 R601 E607 R608 V609	L532-D605 HydrophobicContact CD2-CB 3.83Å; L532-D605 WeakPolarHBondContact CD2-OD1 3.46Å; L548-D605 HydrophobicContact CD1-CB 4.15Å; L548-D605 HydrophobicContact CD2-CB 3.89Å; L548-D605 HydrophobicContact CG-CB 4.21Å; V550-D605 HydrophobicContact CG1-CB 4.32Å; R601-D605 WeakPolarHBondContact O-CB 3.45Å; R601-D605 PolarHBondContact O-N 3.3Å; D605-E607 VanDerWaalsContact C-N 3.34Å; D605-R608 IonicContact OD1-CZ 3.52Å; D605-R608 IonicContact OD1-NH1 2.73Å; D605-R608 PolarHBondContact OD1-NH1 3.15Å; D605-V609 WeakPolarHBondContact O-CB 3.09Å; D605-V609 WeakPolarHBondContact O-CG2 3.35Å; D605-V609 PolarHBondContact O-N 3.03Å
606	L	83.5	Confident	86.9	Confident	70 Å²	70	50.7 Å²	50.7	37%	0.366	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-37.8	171.5	-81	173.4	0	0	0	112	L548 A602 E603 V604 R610	L548-L606 HydrophobicContact CD2-CD2 4.14Å; L548-L606 HydrophobicContact CD2-CG 3.97Å; A602-L606 WeakPolarHBondContact O-CB 3.26Å; A602-L606 WeakPolarHBondContact O-CG 3.25Å; A602-L606 PolarHBondContact O-N 3.21Å; E603-L606 PolarHBondContact O-N 2.88Å; V604-L606 PolarHBondContact O-N 3.25Å; L606-R610 VanDerWaalsContact O-CG 3.3Å; L606-R610 WeakPolarHBondContact O-CG 3.29Å; L606-R610 PolarHBondContact O-N 3.3Å
607	E	87.3	Confident	87.4	Confident	35 Å²	35	54.1 Å²	54.1	16%	0.164	25%	0.245	C	C	.	.	H	α-helix	trans	-71.5	-42.5	176.3	-169.7	59.8	-157.3	0	0	111.7	R446 M450 E603 V604 D605 V609 R610 V611	R446-E607 IonicContact CZ-OE1 3.71Å; R446-E607 IonicContact NE-OE1 3.3Å; R446-E607 IonicContact NH2-OE1 2.73Å; R446-E607 PolarHBondContact NH2-OE1 3.18Å; M450-E607 HydrophobicContact CG-CG 4.08Å; M450-E607 HydrophobicContact SD-CB 4.05Å; M450-E607 HydrophobicContact SD-CG 3.51Å; M450-E607 VanDerWaalsContact SD-CG 3.51Å; E603-E607 PolarHBondContact O-N 2.74Å; E603-E607 VanDerWaalsContact O-N 3.13Å; V604-E607 PolarHBondContact O-N 3.18Å; V604-E607 VanDerWaalsContact O-N 3.14Å; D605-E607 VanDerWaalsContact C-N 3.34Å; E607-V609 VanDerWaalsContact C-N 3.29Å; E607-V609 PolarHBondContact O-N 3.04Å; E607-R610 WeakPolarHBondContact O-CB 3.43Å; E607-R610 PolarHBondContact O-N 2.99Å; E607-R610 VanDerWaalsContact O-N 3.11Å; E607-R610 WeakPolarHBondContact OE2-CD 3.34Å; E607-R610 IonicContact OE2-CZ 3.18Å; E607-R610 IonicContact OE2-NE 2.73Å; E607-R610 IonicContact OE2-NH1 2.84Å; E607-R610 PolarHBondContact OE2-NH1 2.88Å; E607-V611 WeakPolarHBondContact O-CG2 3.34Å; E607-V611 PolarHBondContact O-N 3.43Å
608	R	88.4	Confident	87.9	Confident	1 Å²	1	53.4 Å²	53.4	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-52.8	-46.6	170.1	-69.4	170.8	69.6	-155.2	7.6	111.4	L447 M450 E451 T530 L532 V604 D605 V611 W612	L447-R608 HydrophobicContact CD1-CB 4.16Å; L447-R608 HydrophobicContact CD1-CG 4.4Å; M450-R608 HydrophobicContact CB-CG 3.53Å; M450-R608 HydrophobicContact CG-CG 4.42Å; E451-R608 IonicContact OE1-CZ 2.74Å; E451-R608 IonicContact OE1-NE 2.69Å; E451-R608 IonicContact OE1-NH2 2.71Å; E451-R608 PolarHBondContact OE1-NH2 3.28Å; T530-R608 PolarHBondContact O-NH2 3.32Å; T530-R608 PolarHBondContact OG1-NH1 2.83Å; T530-R608 PolarHBondContact OG1-NH2 3.15Å; L532-R608 HydrophobicContact CD1-CB 4.22Å; L532-R608 HydrophobicContact CD2-CB 3.89Å; L532-R608 VanDerWaalsContact CD2-NH1 3.33Å; V604-R608 HydrophobicContact CG1-CG 4.42Å; V604-R608 WeakPolarHBondContact O-CG 3.35Å; V604-R608 PolarHBondContact O-N 3.01Å; D605-R608 IonicContact OD1-CZ 3.52Å; D605-R608 IonicContact OD1-NH1 2.73Å; D605-R608 PolarHBondContact OD1-NH1 3.15Å; R608-V611 PolarHBondContact O-N 2.9Å; R608-W612 WeakPolarHBondContact O-CB 3.1Å; R608-W612 PolarHBondContact O-N 2.97Å
609	V	88.1	Confident	88.5	Confident	14 Å²	14	55.8 Å²	55.8	9%	0.085	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-38.1	177.3	166.2	0	0	0	0	112.8	L532 F533 L548 D605 E607 Y613	L532-V609 HydrophobicContact CB-CG2 4.34Å; L532-V609 HydrophobicContact CD1-CG2 4.04Å; L532-V609 HydrophobicContact CD2-CG2 4.21Å; L532-V609 HydrophobicContact CG-CG2 4.44Å; F533-V609 HydrophobicContact CE1-CG2 4.32Å; F533-V609 HydrophobicContact CE2-CG2 4.12Å; F533-V609 HydrophobicContact CZ-CG1 4.06Å; F533-V609 HydrophobicContact CZ-CG2 3.67Å; L548-V609 HydrophobicContact CD1-CG2 3.67Å; D605-V609 WeakPolarHBondContact O-CB 3.09Å; D605-V609 WeakPolarHBondContact O-CG2 3.35Å; D605-V609 PolarHBondContact O-N 3.03Å; E607-V609 VanDerWaalsContact C-N 3.29Å; E607-V609 PolarHBondContact O-N 3.04Å; V609-Y613 HydrophobicContact CG1-CD2 3.62Å; V609-Y613 HydrophobicContact CG1-CE2 3.38Å; V609-Y613 WeakPolarHBondContact O-CD2 3.45Å; V609-Y613 PolarHBondContact O-N 3.41Å
610	R	88.8	Confident	89.2	Confident	147 Å²	147	54.4 Å²	54.4	56%	0.555	24%	0.242	S	C	*	.	H	α-helix	trans	-63.1	-45.6	174.3	-71	163.5	-167.5	159.4	2.6	111.8	L606 E607 Y613 K614	L606-R610 VanDerWaalsContact O-CG 3.3Å; L606-R610 WeakPolarHBondContact O-CG 3.29Å; L606-R610 PolarHBondContact O-N 3.3Å; E607-R610 WeakPolarHBondContact O-CB 3.43Å; E607-R610 PolarHBondContact O-N 2.99Å; E607-R610 VanDerWaalsContact O-N 3.11Å; E607-R610 WeakPolarHBondContact OE2-CD 3.34Å; E607-R610 IonicContact OE2-CZ 3.18Å; E607-R610 IonicContact OE2-NE 2.73Å; E607-R610 IonicContact OE2-NH1 2.84Å; E607-R610 PolarHBondContact OE2-NH1 2.88Å; R610-Y613 PolarHBondContact O-N 3.16Å; R610-K614 PolarHBondContact O-N 2.86Å
611	V	89.9	Confident	89.8	Confident	7 Å²	7	55.2 Å²	55.2	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-65.5	-41.6	179.3	178.7	0	0	0	0	110.7	A443 R446 L447 E607 R608 K614 L615	A443-V611 HydrophobicContact CB-CG1 4.46Å; A443-V611 WeakPolarHBondContact O-CG1 3.38Å; R446-V611 HydrophobicContact CB-CG1 4.19Å; R446-V611 HydrophobicContact CG-CG1 4.33Å; R446-V611 HydrophobicContact CG-CG2 3.85Å; L447-V611 HydrophobicContact CB-CG1 3.91Å; E607-V611 WeakPolarHBondContact O-CG2 3.34Å; E607-V611 PolarHBondContact O-N 3.43Å; R608-V611 PolarHBondContact O-N 2.9Å; V611-K614 PolarHBondContact O-N 2.81Å; V611-L615 PolarHBondContact O-N 3.3Å
612	W	88.8	Confident	90.3	Very high	63 Å²	63	53.1 Å²	53.1	24%	0.239	24%	0.241	C	C	.	.	H	α-helix	trans	-60.8	-46.4	174.6	-177.4	82.5	0	0	0	112.6	I526 R608 K614 L615 D616	I526-W612 HydrophobicContact CD1-CD2 4.23Å; I526-W612 HydrophobicContact CD1-CZ2 4.23Å; I526-W612 HydrophobicContact CG1-CZ2 4.21Å; R608-W612 WeakPolarHBondContact O-CB 3.1Å; R608-W612 PolarHBondContact O-N 2.97Å; W612-K614 VanDerWaalsContact C-N 3.28Å; W612-K614 PolarHBondContact O-N 2.87Å; W612-L615 PolarHBondContact O-N 3.27Å; W612-L615 VanDerWaalsContact O-N 3.13Å; W612-D616 PolarHBondContact O-N 3.17Å
613	Y	89.4	Confident	90.9	Very high	129 Å²	129	60 Å²	60	51%	0.506	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-33.1	174.2	-81	-56.5	0	0	0	113.2	V609 R610 E617	V609-Y613 HydrophobicContact CG1-CD2 3.62Å; V609-Y613 HydrophobicContact CG1-CE2 3.38Å; V609-Y613 WeakPolarHBondContact O-CD2 3.45Å; V609-Y613 PolarHBondContact O-N 3.41Å; R610-Y613 PolarHBondContact O-N 3.16Å; Y613-E617 PolarHBondContact O-N 3.48Å
614	K	91.7	Very high	91.5	Very high	74 Å²	74	59.6 Å²	59.6	32%	0.322	27%	0.267	S	S	.	.	H	α-helix	trans	-69.7	-35.7	174.5	179.7	59.1	-168.7	174.1	0	111.7	E439 R610 V611 W612 E617 L618	E439-K614 IonicContact OE2-NZ 2.7Å; R610-K614 PolarHBondContact O-N 2.86Å; V611-K614 PolarHBondContact O-N 2.81Å; W612-K614 VanDerWaalsContact C-N 3.28Å; W612-K614 PolarHBondContact O-N 2.87Å; K614-E617 WeakPolarHBondContact CD-OE2 2.98Å; K614-E617 IonicContact NZ-OE2 3.92Å; K614-E617 PolarHBondContact NZ-OE2 3.27Å; K614-E617 PolarHBondContact O-N 3.19Å; K614-L618 HydrophobicContact CD-CD1 4.37Å; K614-L618 HydrophobicContact CD-CG 4.39Å; K614-L618 HydrophobicContact CG-CD1 4.13Å; K614-L618 WeakPolarHBondContact O-CD1 3.3Å; K614-L618 VanDerWaalsContact O-CG 3.23Å; K614-L618 WeakPolarHBondContact O-CG 3.32Å; K614-L618 PolarHBondContact O-N 3.37Å
615	L	92.9	Very high	91.9	Very high	20 Å²	20	60.1 Å²	60.1	11%	0.105	27%	0.27	C	S	.	.	H	α-helix	trans	-67.2	-40.8	175.2	-175	61	0	0	0	112	Q440 A443 R444 V611 W612 L618 F619	Q440-L615 HydrophobicContact CB-CD1 4.08Å; Q440-L615 HydrophobicContact CG-CD1 4.15Å; A443-L615 HydrophobicContact CB-CB 4.39Å; A443-L615 HydrophobicContact CB-CD1 4.31Å; R444-L615 HydrophobicContact CG-CD1 4.25Å; R444-L615 HydrophobicContact CG-CD2 4.09Å; V611-L615 PolarHBondContact O-N 3.3Å; W612-L615 PolarHBondContact O-N 3.27Å; W612-L615 VanDerWaalsContact O-N 3.13Å; L615-L618 PolarHBondContact O-N 2.95Å; L615-F619 HydrophobicContact CD1-CD2 4.32Å; L615-F619 HydrophobicContact CD1-CE2 3.93Å; L615-F619 HydrophobicContact CD1-CZ 4.36Å; L615-F619 HydrophobicContact CD2-CE2 4.15Å; L615-F619 HydrophobicContact CG-CD2 4.04Å; L615-F619 HydrophobicContact CG-CE2 3.7Å; L615-F619 VanDerWaalsContact O-CD2 3.29Å; L615-F619 WeakPolarHBondContact O-CD2 3.33Å; L615-F619 PolarHBondContact O-N 3.49Å
616	D	92.3	Very high	92.2	Very high	90 Å²	90	65.4 Å²	65.4	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-45.6	172.6	-176.9	60.2	0	0	0	112	W612 L618 F619 E620	W612-D616 PolarHBondContact O-N 3.17Å; D616-L618 VanDerWaalsContact C-N 3.3Å; D616-L618 PolarHBondContact O-N 3.42Å; D616-F619 PolarHBondContact O-N 3.11Å; D616-E620 PolarHBondContact O-N 3.35Å
617	E	95	Very high	92.6	Very high	93 Å²	93	65.4 Å²	65.4	44%	0.435	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-43.1	173.2	-174.2	-170.8	-122.9	0	0	111.9	Y613 K614 E620 Q621	Y613-E617 PolarHBondContact O-N 3.48Å; K614-E617 WeakPolarHBondContact CD-OE2 2.98Å; K614-E617 IonicContact NZ-OE2 3.92Å; K614-E617 PolarHBondContact NZ-OE2 3.27Å; K614-E617 PolarHBondContact O-N 3.19Å; E617-E620 PolarHBondContact O-N 2.83Å; E617-Q621 WeakPolarHBondContact O-CB 3.5Å; E617-Q621 VanDerWaalsContact O-CG 3.3Å; E617-Q621 WeakPolarHBondContact O-CG 3.48Å; E617-Q621 PolarHBondContact O-N 3.04Å
618	L	96.4	Very high	92.7	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-33.6	-179.4	-72.6	165.4	0	0	0	113.3	I436 E439 Q440 A443 K614 L615 D616 E622	I436-L618 HydrophobicContact CG2-CB 4.44Å; I436-L618 HydrophobicContact CG2-CD2 4.28Å; I436-L618 VanDerWaalsContact CG2-O 3.28Å; I436-L618 WeakPolarHBondContact CG2-O 3.49Å; E439-L618 HydrophobicContact CB-CD1 3.81Å; E439-L618 HydrophobicContact CB-CD2 3.7Å; E439-L618 HydrophobicContact CB-CG 4.42Å; Q440-L618 HydrophobicContact CG-CB 3.74Å; Q440-L618 HydrophobicContact CG-CD1 4.46Å; Q440-L618 PolarHBondContact NE2-O 3.02Å; A443-L618 HydrophobicContact CB-CD1 4.33Å; K614-L618 HydrophobicContact CD-CD1 4.37Å; K614-L618 HydrophobicContact CD-CG 4.39Å; K614-L618 HydrophobicContact CG-CD1 4.13Å; K614-L618 WeakPolarHBondContact O-CD1 3.3Å; K614-L618 VanDerWaalsContact O-CG 3.23Å; K614-L618 WeakPolarHBondContact O-CG 3.32Å; K614-L618 PolarHBondContact O-N 3.37Å; L615-L618 PolarHBondContact O-N 2.95Å; D616-L618 VanDerWaalsContact C-N 3.3Å; D616-L618 PolarHBondContact O-N 3.42Å; L618-E622 PolarHBondContact O-N 3.04Å
619	F	95.4	Very high	92.7	Very high	82 Å²	82	67.5 Å²	67.5	36%	0.36	31%	0.31	S	S	.	.	H	α-helix	trans	-68.3	-40.4	171.5	-78.4	-55.7	0	0	0	111.9	L615 D616 E622 R623	L615-F619 HydrophobicContact CD1-CD2 4.32Å; L615-F619 HydrophobicContact CD1-CE2 3.93Å; L615-F619 HydrophobicContact CD1-CZ 4.36Å; L615-F619 HydrophobicContact CD2-CE2 4.15Å; L615-F619 HydrophobicContact CG-CD2 4.04Å; L615-F619 HydrophobicContact CG-CE2 3.7Å; L615-F619 VanDerWaalsContact O-CD2 3.29Å; L615-F619 WeakPolarHBondContact O-CD2 3.33Å; L615-F619 PolarHBondContact O-N 3.49Å; D616-F619 PolarHBondContact O-N 3.11Å; F619-E622 PolarHBondContact O-N 2.88Å; F619-R623 WeakPolarHBondContact O-CB 3.4Å; F619-R623 PolarHBondContact O-N 3.34Å
620	E	96.2	Very high	92.6	Very high	82 Å²	82	71.6 Å²	71.6	38%	0.383	34%	0.335	S	S	.	.	H	α-helix	trans	-67.8	-37.6	175.3	-178.9	57.8	-161.3	0	0	111.5	D616 E617 R623 N624	D616-E620 PolarHBondContact O-N 3.35Å; E617-E620 PolarHBondContact O-N 2.83Å; E620-R623 PolarHBondContact O-N 3.41Å; E620-R623 WeakPolarHBondContact OE2-CD 3.07Å; E620-R623 IonicContact OE2-CZ 2.82Å; E620-R623 IonicContact OE2-NE 3.9Å; E620-R623 IonicContact OE2-NH1 3.57Å; E620-R623 PolarHBondContact OE2-NH1 2.65Å; E620-N624 VanDerWaalsContact CD-ND2 3.33Å; E620-N624 PolarHBondContact O-N 3.31Å; E620-N624 PolarHBondContact O-ND2 2.86Å; E620-N624 PolarHBondContact OE1-ND2 2.99Å
621	Q	96.2	Very high	92.4	Very high	70 Å²	70	70.6 Å²	70.6	33%	0.327	34%	0.34	S	S	.	.	H	α-helix	trans	-60.7	-46.3	170.3	-74	177.4	16.7	0	0	111.5	I436 E617 R623 N624 V625	I436-Q621 HydrophobicContact CD1-CB 4.02Å; E617-Q621 WeakPolarHBondContact O-CB 3.5Å; E617-Q621 VanDerWaalsContact O-CG 3.3Å; E617-Q621 WeakPolarHBondContact O-CG 3.48Å; E617-Q621 PolarHBondContact O-N 3.04Å; Q621-R623 PolarHBondContact O-N 2.84Å; Q621-N624 PolarHBondContact O-N 2.86Å; Q621-V625 WeakPolarHBondContact O-CG2 3.29Å; Q621-V625 PolarHBondContact O-N 3.35Å
622	E	96.6	Very high	91.8	Very high	11 Å²	11	75.7 Å²	75.7	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-61.2	-43.9	177.6	-156.2	-171.5	176	0	0	111.7	L433 I436 R437 Q440 L618 F619 N624 V625 R626	L433-E622 HydrophobicContact CD2-CG 3.5Å; I436-E622 HydrophobicContact CG2-CB 3.88Å; I436-E622 HydrophobicContact CG2-CG 4.29Å; R437-E622 IonicContact CZ-OE1 2.83Å; R437-E622 IonicContact NE-OE1 2.62Å; R437-E622 PolarHBondContact NE-OE1 2.87Å; R437-E622 IonicContact NH2-OE1 2.71Å; Q440-E622 PolarHBondContact NE2-OE2 3.34Å; L618-E622 PolarHBondContact O-N 3.04Å; F619-E622 PolarHBondContact O-N 2.88Å; E622-N624 PolarHBondContact O-N 2.89Å; E622-V625 PolarHBondContact O-N 3.45Å; E622-R626 VanDerWaalsContact CD-NH2 3.33Å; E622-R626 HydrophobicContact CG-CG 4.46Å; E622-R626 WeakPolarHBondContact O-CB 3.43Å; E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.23Å; E622-R626 PolarHBondContact O-N 3.13Å; E622-R626 IonicContact OE1-CZ 3.64Å; E622-R626 VanDerWaalsContact OE1-CZ 3.3Å; E622-R626 IonicContact OE1-NE 2.65Å; E622-R626 PolarHBondContact OE1-NE 2.65Å; E622-R626 VanDerWaalsContact OE1-NE 3.09Å; E622-R626 IonicContact OE1-NH2 3.63Å; E622-R626 PolarHBondContact OE1-NH2 3.42Å; E622-R626 IonicContact OE2-NH2 2.8Å
623	R	96.6	Very high	91	Very high	150 Å²	150	76.6 Å²	76.6	57%	0.566	38%	0.38	S	S	*	.	H	α-helix	trans	-55.3	-50.6	174.4	179.2	-178.4	-70	128.9	-0.8	111.2	F619 E620 Q621 V625 R626 T627	F619-R623 WeakPolarHBondContact O-CB 3.4Å; F619-R623 PolarHBondContact O-N 3.34Å; E620-R623 PolarHBondContact O-N 3.41Å; E620-R623 WeakPolarHBondContact OE2-CD 3.07Å; E620-R623 IonicContact OE2-CZ 2.82Å; E620-R623 IonicContact OE2-NE 3.9Å; E620-R623 IonicContact OE2-NH1 3.57Å; E620-R623 PolarHBondContact OE2-NH1 2.65Å; Q621-R623 PolarHBondContact O-N 2.84Å; R623-V625 PolarHBondContact O-N 2.97Å; R623-R626 PolarHBondContact O-N 3.06Å; R623-T627 WeakPolarHBondContact O-CB 3.33Å; R623-T627 PolarHBondContact O-N 3.1Å; R623-T627 PolarHBondContact O-OG1 2.86Å; R623-T627 VanDerWaalsContact O-OG1 3.12Å
624	N	95.7	Very high	90.3	Very high	91 Å²	91	72.1 Å²	72.1	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-63.5	-39.9	-179.6	-79.9	-80.1	0	0	0	112.5	E620 Q621 E622 A628	E620-N624 VanDerWaalsContact CD-ND2 3.33Å; E620-N624 PolarHBondContact O-N 3.31Å; E620-N624 PolarHBondContact O-ND2 2.86Å; E620-N624 PolarHBondContact OE1-ND2 2.99Å; Q621-N624 PolarHBondContact O-N 2.86Å; E622-N624 PolarHBondContact O-N 2.89Å; N624-A628 VanDerWaalsContact O-CB 3.3Å; N624-A628 WeakPolarHBondContact O-CB 3.32Å; N624-A628 PolarHBondContact O-N 3.46Å
625	V	94.3	Very high	89.6	Confident	23 Å²	23	73.3 Å²	73.3	14%	0.139	38%	0.382	C	S	.	.	H	α-helix	trans	-68.1	-45.5	176.8	177.9	0	0	0	0	111.2	L432 L433 I436 Q621 E622 R623 T627 A628 M629	L432-V625 HydrophobicContact CD2-CG1 4.38Å; L432-V625 HydrophobicContact CD2-CG2 3.59Å; L432-V625 HydrophobicContact CG-CG2 4.1Å; L433-V625 HydrophobicContact CD1-CG1 4.45Å; L433-V625 HydrophobicContact CD2-CB 3.85Å; L433-V625 HydrophobicContact CD2-CG1 3.69Å; L433-V625 HydrophobicContact CG-CB 4.43Å; L433-V625 HydrophobicContact CG-CG1 3.71Å; I436-V625 HydrophobicContact CD1-CG2 3.97Å; Q621-V625 WeakPolarHBondContact O-CG2 3.29Å; Q621-V625 PolarHBondContact O-N 3.35Å; E622-V625 PolarHBondContact O-N 3.45Å; R623-V625 PolarHBondContact O-N 2.97Å; V625-T627 PolarHBondContact O-N 3.45Å; V625-A628 PolarHBondContact O-N 3.39Å; V625-M629 HydrophobicContact CG1-SD 4.16Å; V625-M629 WeakPolarHBondContact O-CG 3.4Å; V625-M629 PolarHBondContact O-N 3.22Å
626	R	93.9	Very high	88.7	Confident	121 Å²	121	78.5 Å²	78.5	46%	0.457	41%	0.41	S	S	.	.	H	α-helix	trans	-56.7	-49.7	174.4	-71.4	179.8	-174.1	-157.3	9.9	110.9	L433 E622 R623 A628 M629 T630	L433-R626 HydrophobicContact CD1-CG 4.37Å; L433-R626 HydrophobicContact CD2-CG 3.95Å; E622-R626 VanDerWaalsContact CD-NH2 3.33Å; E622-R626 HydrophobicContact CG-CG 4.46Å; E622-R626 WeakPolarHBondContact O-CB 3.43Å; E622-R626 VanDerWaalsContact O-CG 3.31Å; E622-R626 WeakPolarHBondContact O-CG 3.23Å; E622-R626 PolarHBondContact O-N 3.13Å; E622-R626 IonicContact OE1-CZ 3.64Å; E622-R626 VanDerWaalsContact OE1-CZ 3.3Å; E622-R626 IonicContact OE1-NE 2.65Å; E622-R626 PolarHBondContact OE1-NE 2.65Å; E622-R626 VanDerWaalsContact OE1-NE 3.09Å; E622-R626 IonicContact OE1-NH2 3.63Å; E622-R626 PolarHBondContact OE1-NH2 3.42Å; E622-R626 IonicContact OE2-NH2 2.8Å; R623-R626 PolarHBondContact O-N 3.06Å; R626-A628 VanDerWaalsContact C-N 3.35Å; R626-A628 PolarHBondContact O-N 3.07Å; R626-M629 PolarHBondContact O-N 3.32Å; R626-M629 VanDerWaalsContact O-N 3.14Å; R626-T630 PolarHBondContact O-N 3Å; R626-T630 PolarHBondContact O-OG1 3.44Å; R626-T630 VanDerWaalsContact O-OG1 3.09Å
627	T	91.7	Very high	87.9	Confident	70 Å²	70	75.8 Å²	75.8	43%	0.429	40%	0.4	S	S	.	.	H	α-helix	trans	-61.7	-39	177	-62.2	0	0	0	0	112.5	R623 V625 M629 T630 N631	R623-T627 WeakPolarHBondContact O-CB 3.33Å; R623-T627 PolarHBondContact O-N 3.1Å; R623-T627 PolarHBondContact O-OG1 2.86Å; R623-T627 VanDerWaalsContact O-OG1 3.12Å; V625-T627 PolarHBondContact O-N 3.45Å; T627-M629 VanDerWaalsContact C-N 3.31Å; T627-M629 PolarHBondContact O-N 3.43Å; T627-T630 PolarHBondContact O-N 3Å; T627-N631 VanDerWaalsContact O-CB 3.32Å; T627-N631 WeakPolarHBondContact O-CB 3.07Å; T627-N631 PolarHBondContact O-N 3.41Å; T627-N631 PolarHBondContact O-ND2 3.35Å
628	A	89.2	Confident	87	Confident	42 Å²	42	72.8 Å²	72.8	35%	0.347	39%	0.386	S	S	.	.	H	α-helix	trans	-65.7	-32.4	175.4	0	0	0	0	0	113	N624 V625 R626 R632	N624-A628 VanDerWaalsContact O-CB 3.3Å; N624-A628 WeakPolarHBondContact O-CB 3.32Å; N624-A628 PolarHBondContact O-N 3.46Å; V625-A628 PolarHBondContact O-N 3.39Å; R626-A628 VanDerWaalsContact C-N 3.35Å; R626-A628 PolarHBondContact O-N 3.07Å; A628-R632 WeakPolarHBondContact O-CG 3.38Å
629	M	87.6	Confident	86	Confident	38 Å²	38	76 Å²	76	19%	0.187	40%	0.402	C	S	.	.	H	α-helix	trans	-72.8	-46.9	172.5	-68.1	174.3	73.2	0	0	111.4	E426 K430 L433 V625 R626 T627 N631 R632 A633	E426-M629 HydrophobicContact CG-CE 3.87Å; K430-M629 HydrophobicContact CG-CE 3.9Å; L433-M629 HydrophobicContact CD1-CE 4.45Å; L433-M629 HydrophobicContact CD1-SD 3.62Å; L433-M629 HydrophobicContact CG-SD 4.35Å; V625-M629 HydrophobicContact CG1-SD 4.16Å; V625-M629 WeakPolarHBondContact O-CG 3.4Å; V625-M629 PolarHBondContact O-N 3.22Å; R626-M629 PolarHBondContact O-N 3.32Å; R626-M629 VanDerWaalsContact O-N 3.14Å; T627-M629 VanDerWaalsContact C-N 3.31Å; T627-M629 PolarHBondContact O-N 3.43Å; M629-N631 VanDerWaalsContact C-N 3.3Å; M629-N631 PolarHBondContact O-N 3.47Å; M629-R632 WeakPolarHBondContact O-CB 3.22Å; M629-R632 PolarHBondContact O-N 2.99Å; M629-A633 PolarHBondContact O-N 3.49Å
630	T	86.8	Confident	85	Confident	100 Å²	100	77.4 Å²	77.4	61%	0.613	41%	0.413	S	S	*	.	H	α-helix	trans	-58.5	-41.1	175.8	-52.1	0	0	0	0	112	R626 T627 R632 A633	R626-T630 PolarHBondContact O-N 3Å; R626-T630 PolarHBondContact O-OG1 3.44Å; R626-T630 VanDerWaalsContact O-OG1 3.09Å; T627-T630 PolarHBondContact O-N 3Å; T630-R632 PolarHBondContact O-N 3.22Å; T630-R632 VanDerWaalsContact O-N 3.15Å; T630-A633 WeakPolarHBondContact O-CB 3.44Å; T630-A633 PolarHBondContact O-N 3.19Å
631	N	84.8	Confident	83.8	Confident	125 Å²	125	75.9 Å²	75.9	67%	0.668	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.7	176.3	-71.5	-17.7	0	0	0	113.9	T627 M629	T627-N631 VanDerWaalsContact O-CB 3.32Å; T627-N631 WeakPolarHBondContact O-CB 3.07Å; T627-N631 PolarHBondContact O-N 3.41Å; T627-N631 PolarHBondContact O-ND2 3.35Å; M629-N631 VanDerWaalsContact C-N 3.3Å; M629-N631 PolarHBondContact O-N 3.47Å
632	R	77.1	Confident	82.3	Confident	114 Å²	114	77.6 Å²	77.6	43%	0.43	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-12.7	172.1	-71.4	174.1	-178.5	148.7	0.6	113.6	A425 A628 M629 T630 G634 A637	A425-R632 PolarHBondContact O-NH1 3.38Å; A628-R632 WeakPolarHBondContact O-CG 3.38Å; M629-R632 WeakPolarHBondContact O-CB 3.22Å; M629-R632 PolarHBondContact O-N 2.99Å; T630-R632 PolarHBondContact O-N 3.22Å; T630-R632 VanDerWaalsContact O-N 3.15Å; R632-G634 PolarHBondContact O-N 3.02Å; R632-G634 VanDerWaalsContact O-N 3.1Å; R632-A637 WeakPolarHBondContact O-CB 3.11Å
633	A	71.4	Confident	80.7	Confident	83 Å²	83	83.1 Å²	83.1	69%	0.686	45%	0.449	S	S	*	.	S	Bend	trans	-79.5	20.5	177.3	0	0	0	0	0	113.8	M629 T630	M629-A633 PolarHBondContact O-N 3.49Å; T630-A633 WeakPolarHBondContact O-CB 3.44Å; T630-A633 PolarHBondContact O-N 3.19Å
634	G	75.7	Confident	79.2	Confident	35 Å²	35	80 Å²	80	36%	0.361	44%	0.442	S	S	.	.	S	Bend	trans	-89.7	153.4	-177.8	0	0	0	0	0	113.4	R632 L636 A637 L638	R632-G634 PolarHBondContact O-N 3.02Å; R632-G634 VanDerWaalsContact O-N 3.1Å; G634-L636 PolarHBondContact O-N 2.99Å; G634-A637 WeakPolarHBondContact O-CB 3.4Å; G634-A637 PolarHBondContact O-N 2.75Å; G634-L638 PolarHBondContact O-N 2.93Å
635	L	75.3	Confident	77.3	Confident	98 Å²	98	81.8 Å²	81.8	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-48.9	-38.5	-179	180	63.4	0	0	0	113.8	L411 A637 L638 M639	L411-L635 HydrophobicContact CD1-CD1 3.64Å; L635-A637 PolarHBondContact O-N 3.27Å; L635-L638 PolarHBondContact O-N 3.34Å; L635-M639 HydrophobicContact CD1-CE 4.34Å; L635-M639 HydrophobicContact CD1-CG 4.19Å; L635-M639 HydrophobicContact CG-CG 4.36Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 VanDerWaalsContact O-CG 3.26Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 2.95Å
636	L	74.3	Confident	75.8	Confident	129 Å²	129	88.5 Å²	88.5	68%	0.675	48%	0.477	S	S	*	.	H	α-helix	trans	-64.3	-37.9	178.6	-178.2	62.2	0	0	0	112.7	G634 L640	G634-L636 PolarHBondContact O-N 2.99Å; L636-L640 HydrophobicContact CD1-CD1 3.71Å; L636-L640 HydrophobicContact CD1-CG 4.2Å; L636-L640 HydrophobicContact CG-CD1 3.97Å; L636-L640 WeakPolarHBondContact O-CB 3.48Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.29Å; L636-L640 PolarHBondContact O-N 2.98Å; L636-L640 VanDerWaalsContact O-N 3.15Å
637	A	75.7	Confident	74.3	Confident	33 Å²	33	86.2 Å²	86.2	27%	0.273	47%	0.474	S	S	.	.	H	α-helix	trans	-68.9	-43.4	175.7	0	0	0	0	0	110.5	W418 R632 G634 L635 M639 L640 H641	W418-A637 HydrophobicContact CH2-CB 4.12Å; W418-A637 HydrophobicContact CZ3-CB 4.21Å; R632-A637 WeakPolarHBondContact O-CB 3.11Å; G634-A637 WeakPolarHBondContact O-CB 3.4Å; G634-A637 PolarHBondContact O-N 2.75Å; L635-A637 PolarHBondContact O-N 3.27Å; A637-M639 VanDerWaalsContact C-N 3.29Å; A637-M639 PolarHBondContact O-N 3.28Å; A637-L640 CarbonylContact O-C 3.38Å; A637-L640 PolarHBondContact O-N 3.13Å; A637-H641 PolarHBondContact O-N 3.3Å
638	L	77.1	Confident	72.8	Confident	30 Å²	30	88.1 Å²	88.1	16%	0.157	49%	0.487	C	S	.	.	H	α-helix	trans	-63.7	-32.5	178.1	-170.6	147.9	0	0	0	112.9	L411 R414 I415 W418 G634 L635	L411-L638 HydrophobicContact CD1-CD2 3.61Å; R414-L638 HydrophobicContact CB-CD2 3.58Å; I415-L638 HydrophobicContact CG1-CD1 3.81Å; I415-L638 HydrophobicContact CG1-CD2 4.36Å; W418-L638 HydrophobicContact CB-CD1 4.47Å; W418-L638 HydrophobicContact CE3-CB 4.2Å; W418-L638 HydrophobicContact CE3-CG 4.34Å; G634-L638 PolarHBondContact O-N 2.93Å; L635-L638 PolarHBondContact O-N 3.34Å
639	M	74.6	Confident	71.3	Confident	69 Å²	69	93.8 Å²	93.8	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-74.8	-23	171	-68.1	-69.4	101	0	0	114	I410 L411 R414 L635 A637	I410-M639 HydrophobicContact CG2-CE 4.39Å; L411-M639 HydrophobicContact CD1-CE 3.94Å; R414-M639 HydrophobicContact CB-CE 3.78Å; R414-M639 HydrophobicContact CG-CE 3.72Å; L635-M639 HydrophobicContact CD1-CE 4.34Å; L635-M639 HydrophobicContact CD1-CG 4.19Å; L635-M639 HydrophobicContact CG-CG 4.36Å; L635-M639 WeakPolarHBondContact O-CB 3.26Å; L635-M639 VanDerWaalsContact O-CG 3.26Å; L635-M639 WeakPolarHBondContact O-CG 3.46Å; L635-M639 PolarHBondContact O-N 2.95Å; A637-M639 VanDerWaalsContact C-N 3.29Å; A637-M639 PolarHBondContact O-N 3.28Å
640	L	74.4	Confident	69.9	Low	111 Å²	111	95.3 Å²	95.3	58%	0.581	52%	0.523	S	S	*	.	H	α-helix	trans	-108.4	7	-177.2	-65.3	178.3	0	0	0	113.9	L636 A637 Q642	L636-L640 HydrophobicContact CD1-CD1 3.71Å; L636-L640 HydrophobicContact CD1-CG 4.2Å; L636-L640 HydrophobicContact CG-CD1 3.97Å; L636-L640 WeakPolarHBondContact O-CB 3.48Å; L636-L640 VanDerWaalsContact O-CG 3.25Å; L636-L640 WeakPolarHBondContact O-CG 3.29Å; L636-L640 PolarHBondContact O-N 2.98Å; L636-L640 VanDerWaalsContact O-N 3.15Å; A637-L640 CarbonylContact O-C 3.38Å; A637-L640 PolarHBondContact O-N 3.13Å; L640-Q642 PolarHBondContact O-N 3.47Å; L640-Q642 VanDerWaalsContact O-N 3.13Å
641	H	70.3	Confident	68.4	Low	51 Å²	51	95.5 Å²	95.5	24%	0.236	52%	0.524	C	S	.	.	S	Bend	trans	-54.7	-32	-179	-172.4	55.9	0	0	0	113.5	W418 S421 A637	W418-H641 HydrophobicContact CE3-CB 3.66Å; W418-H641 AromaticContact CE3-CG 3.46Å; W418-H641 VanDerWaalsContact CE3-CG 3.46Å; W418-H641 AromaticContact CE3-ND1 3.34Å; W418-H641 VanDerWaalsContact CE3-ND1 3.34Å; W418-H641 HydrophobicContact CZ3-CB 3.85Å; W418-H641 AromaticContact CZ3-CG 3.83Å; W418-H641 AromaticContact CZ3-ND1 3.4Å; W418-H641 WeakPolarHBondContact CZ3-ND1 3.49Å; S421-H641 PolarHBondContact O-CE1 3.44Å; S421-H641 PolarHBondContact O-NE2 2.72Å; S421-H641 PolarHBondContact OG-NE2 2.83Å; A637-H641 PolarHBondContact O-N 3.3Å
642	Q	65.8	Low	66.9	Low	105 Å²	105	93.8 Å²	93.8	49%	0.491	52%	0.515	S	S	.	.			trans	-132.9	107.5	179.2	-173.8	-172.8	45.2	0	0	109.8	L640 I644	L640-Q642 PolarHBondContact O-N 3.47Å; L640-Q642 VanDerWaalsContact O-N 3.13Å; Q642-I644 HydrophobicContact CG-CG1 4.18Å; Q642-I644 PolarHBondContact O-N 3.33Å
643	T	63.7	Low	65.5	Low	128 Å²	128	96.8 Å²	96.8	79%	0.785	54%	0.538	S	S	*	.			trans	-76.1	104.7	164.1	46.6	0	0	0	0	109.2	Q645	T643-Q645 PolarHBondContact O-N 3.2Å
644	I	63.4	Low	64.6	Low	84 Å²	84	104.2 Å²	104.2	43%	0.431	55%	0.549	S	S	.	.			trans	-77.6	118.2	172.7	-59.1	172.8	0	0	0	108	Q642 H646	Q642-I644 HydrophobicContact CG-CG1 4.18Å; Q642-I644 PolarHBondContact O-N 3.33Å; I644-H646 PolarHBondContact O-CD2 3.02Å; I644-H646 PolarHBondContact O-N 2.76Å
645	Q	56.2	Low	63.2	Low	129 Å²	129	105.8 Å²	105.8	60%	0.603	55%	0.554	S	S	*	*			trans	-81.3	106	174.4	-172.1	166.1	-5.2	0	0	108.7	T643 D647 T650	T643-Q645 PolarHBondContact O-N 3.2Å; Q645-D647 VanDerWaalsContact C-N 3.35Å; Q645-T650 PolarHBondContact NE2-O 3.45Å; Q645-T650 PolarHBondContact NE2-OG1 3.49Å
646	H	62.2	Low	61.8	Low	164 Å²	164	107.2 Å²	107.2	76%	0.759	57%	0.572	S	S	*	*			trans	-84.2	-2.8	-171.8	-72.2	-77	0	0	0	114.8	I644	I644-H646 PolarHBondContact O-CD2 3.02Å; I644-H646 PolarHBondContact O-N 2.76Å
647	D	63.3	Low	60.4	Low	73 Å²	73	104.9 Å²	104.9	39%	0.39	57%	0.571	S	S	.	*			trans	-123.7	106.7	-176.8	-173.2	-12.1	0	0	0	111.5	Q645 L649 T650	Q645-D647 VanDerWaalsContact C-N 3.35Å; D647-L649 PolarHBondContact O-N 3.2Å; D647-L649 WeakPolarHBondContact OD1-CB 2.96Å; D647-L649 PolarHBondContact OD1-N 2.89Å; D647-T650 HydrophobicContact CB-CG2 4.1Å; D647-T650 PolarHBondContact O-N 3.33Å; D647-T650 PolarHBondContact O-OG1 2.84Å; D647-T650 WeakPolarHBondContact OD2-CG2 3.49Å
648	P	60.3	Low	58.9	Low	109 Å²	109	111.5 Å²	111.5	71%	0.708	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-12.4	177.7	-20.7	33.1	0	0	0	115.3	T651	P648-T651 VanDerWaalsContact O-CG2 3.29Å; P648-T651 WeakPolarHBondContact O-CG2 3.07Å
649	L	58.6	Low	57	Low	162 Å²	162	125.2 Å²	125.2	85%	0.848	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-6.9	-178.9	-63.9	167	0	0	0	112.7	D647 T651	D647-L649 PolarHBondContact O-N 3.2Å; D647-L649 WeakPolarHBondContact OD1-CB 2.96Å; D647-L649 PolarHBondContact OD1-N 2.89Å; L649-T651 VanDerWaalsContact C-N 3.3Å; L649-T651 PolarHBondContact O-N 3.03Å
650	T	58.1	Low	56.2	Low	69 Å²	69	128 Å²	128	42%	0.423	67%	0.667	S	S	.	*			trans	-94	22.2	178	58.9	0	0	0	0	113.2	Q645 D647 D652	Q645-T650 PolarHBondContact NE2-O 3.45Å; Q645-T650 PolarHBondContact NE2-OG1 3.49Å; D647-T650 HydrophobicContact CB-CG2 4.1Å; D647-T650 PolarHBondContact O-N 3.33Å; D647-T650 PolarHBondContact O-OG1 2.84Å; D647-T650 WeakPolarHBondContact OD2-CG2 3.49Å; T650-D652 PolarHBondContact O-N 3.21Å
651	T	53.6	Low	55.2	Low	105 Å²	105	128.9 Å²	128.9	64%	0.644	67%	0.672	S	S	*	*			trans	-77.2	22	-174.3	54.9	0	0	0	0	114.8	P648 L649	P648-T651 VanDerWaalsContact O-CG2 3.29Å; P648-T651 WeakPolarHBondContact O-CG2 3.07Å; L649-T651 VanDerWaalsContact C-N 3.3Å; L649-T651 PolarHBondContact O-N 3.03Å
652	D	53.2	Low	54.4	Low	88 Å²	88	133.2 Å²	133.2	47%	0.471	70%	0.696	S	S	.	*			trans	-156.6	134.7	145.3	-132.4	-32	0	0	0	116.9	T650 R654 S655	T650-D652 PolarHBondContact O-N 3.21Å; D652-R654 VanDerWaalsContact OD1-C 3.31Å; D652-R654 WeakPolarHBondContact OD1-CA 3.29Å; D652-R654 PolarHBondContact OD1-N 2.88Å; D652-S655 PolarHBondContact OD1-N 2.58Å; D652-S655 PolarHBondContact OD1-OG 3.29Å; D652-S655 WeakPolarHBondContact OD2-CB 3.4Å; D652-S655 PolarHBondContact OD2-OG 2.94Å
653	L	48.6	Very low	53.7	Low	177 Å²	177	134.9 Å²	134.9	93%	0.927	71%	0.708	S	S	*	*	S	Bend	trans	-146.7	20.7	157.3	-75.6	-177.7	0	0	0	110.6
654	R	52.3	Low	53.1	Low	240 Å²	240	135.3 Å²	135.3	91%	0.906	70%	0.703	S	S	*	*	S	Bend	trans	-146.3	28.6	-176.7	-71.6	-164.7	170.3	-141.1	-5.1	113.6	D652	D652-R654 VanDerWaalsContact OD1-C 3.31Å; D652-R654 WeakPolarHBondContact OD1-CA 3.29Å; D652-R654 PolarHBondContact OD1-N 2.88Å
655	S	46.1	Very low	52.4	Low	68 Å²	68	138.7 Å²	138.7	48%	0.476	72%	0.722	S	S	.	*			trans	-75.5	125.8	169.8	7.9	0	0	0	0	112.3	D652 A657	D652-S655 PolarHBondContact OD1-N 2.58Å; D652-S655 PolarHBondContact OD1-OG 3.29Å; D652-S655 WeakPolarHBondContact OD2-CB 3.4Å; D652-S655 PolarHBondContact OD2-OG 2.94Å; S655-A657 PolarHBondContact O-N 3.46Å
656	S	46.7	Very low	52.1	Low	127 Å²	127	139.4 Å²	139.4	89%	0.888	73%	0.73	S	S	*	*	S	Bend	trans	46.9	45.3	139.1	66.2	0	0	0	0	118.7
657	A	43.4	Very low	51.3	Low	80 Å²	80	137.5 Å²	137.5	66%	0.661	73%	0.728	S	S	*	*	S	Bend	trans	-136.6	151.6	150.9	0	0	0	0	0	108.3	S655	S655-A657 PolarHBondContact O-N 3.46Å
658	D	44.6	Very low	50.3	Low	172 Å²	172	142.9 Å²	142.9	92%	0.92	76%	0.756	S	S	*	*			trans	54.8	73	-178.2	-55.8	-20.4	0	0	0	114.8
659	R	38.5	Very low	49.4	Very low	318 Å²	318	146 Å²	146	100%	1.2	76%	0.76	S	S	*	*			trans	-132	0	164.6	-159	-174.9	-160.2	-144.7	4.6	110.9

Retrieved 659 of 659 residues in 419.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).