A0A087XD77_POEFO Loading...

Protein Jade-1

AlphaFold DB , UniProt , Accession A0A087XD77, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 929 aa.

						>A0A087XD77_POEFO|A0A087XD77
MPSCSPCWVTSSPGAAALCLCMWNAGQAELKAKTALHIKLKHRLASLGRVLVLMPELHRQKTMKRSRHPSSSDDSDNGSNSTCWSQHSSQHRRGTGQKPSEVFRTDFITAMKLHDSYQLNPEDYYVLADPWRQEWEKGVQVPVSPQSIPQPVTRVLAEKGKEVMFIRPKKLIRTSGTEALGYVDIRTLADGMCRYDLNEEDVAWLHIINEEFAQMAVPPLDENTMERVMEEFEHCCHENMTHAMETEEGLGIEYDEDVVCDVCQSPDGEDNNEMVFCDKCNICVHQACYGIQKVPKGSWLCRICALGILPKCQVCPKKGGAMKPTRSGTKWVHVSCALWIPEVSIGNPEKMEPITNVSHIPSNRWALICCLCKEKTGACIQCSAKNCRTAFHVTCGLHANLEMNTILTEDDEVKFKSYCPKHSGFQGDPAEDEGKEGTRDRKGRANSDQEKRVNLRKLKLQEMEEEFYQFVDVEEVAKSLKLAPEVVDFVYQYWKLKRKANFNQQLLTPKKDEEESLARREQEVLLRRLQLFTHLRQDLERVRNLTYMVTRREKMKRSLCKVQEQIFQHQVRLLDHELLNGEPSAKDLERLFSLGSFSSDGSQSGSSWSNSGLKSKRSSLKQERRKSLSDSPSVHRKDNACSLLDIKDSKSSQIQEAPATESKGDAKVHQLEVSKEKPFLKLQKVIQEHASVKLHKPESRKGPRRETPAPENEVLGNHKQDPEPEERGRKRRSDISESFPCQLKNKFGSKHLDKTVSIRLVDIRNSDSDEYLFDDATTRRSGASLDAAPNTKFKPSSVSDSKANSWLRKPTNGSSHAPNGSASGHLKGWGKFRIPKRADKPPSATLRERAELEPSNPLLRPLTNSTESAYPRTRLRSGPEADGYSSDSKAADGELEPCLKRCHSHELRGDSSLGRRYGSDIIRRGVLAS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.5	Very low	39.5	Very low	232 Å²	232	139.5 Å²	139.5	100%	1.143	83%	0.826	S	S	*	*				0	114.8	0	-97	-63.5	-164.3	0	0	107.7
2	P	59.5	Low	39.4	Very low	116 Å²	116	134.7 Å²	134.7	75%	0.753	81%	0.805	S	S	*	*			cis	-69.6	-114.6	-37.3	14.6	4.3	0	0	0	107.7
3	S	34.9	Very low	40.1	Very low	103 Å²	103	132.4 Å²	132.4	72%	0.72	80%	0.796	S	S	*	*			cis	-168.3	157.4	-16.8	16.8	0	0	0	0	107.3
4	C	31.7	Very low	40.6	Very low	128 Å²	128	125.8 Å²	125.8	87%	0.865	77%	0.768	S	S	*	*			cis	-141	175.3	-12.7	-147.9	0	0	0	0	110.1
5	S	36.3	Very low	40.9	Very low	110 Å²	110	121.1 Å²	121.1	77%	0.769	75%	0.748	S	S	*	*			trans	-81.2	163.8	-165.2	-56	0	0	0	0	115.6
6	P	65.1	Low	41.2	Very low	111 Å²	111	117.4 Å²	117.4	72%	0.721	73%	0.733	S	S	*	*			trans	-89.6	166.3	-170.6	36.5	-37	0	0	0	114.6
7	C	30.2	Very low	41.8	Very low	132 Å²	132	113.6 Å²	113.6	89%	0.892	72%	0.715	S	S	*	*			trans	-125.8	148	161.9	-80.7	0	0	0	0	110.4
8	W	36.3	Very low	42.2	Very low	238 Å²	238	113.6 Å²	113.6	90%	0.902	71%	0.709	S	S	*	*			trans	-93.6	160.5	-172.1	-62.3	26.2	0	0	0	111.1
9	V	34.1	Very low	42.5	Very low	130 Å²	130	112.3 Å²	112.3	79%	0.788	70%	0.703	S	S	*	*				-171.7	128.2	124	141.2	0	0	0	0	111.1
10	T	36.8	Very low	42.6	Very low	116 Å²	116	112.4 Å²	112.4	71%	0.712	70%	0.698	S	S	*	*			trans	25.2	99.3	163.8	63	0	0	0	0	120.3
11	S	40.8	Very low	42.9	Very low	118 Å²	118	110.9 Å²	110.9	83%	0.825	69%	0.69	S	S	*	*				15.8	106.8	115.5	-47.8	0	0	0	0	118.1
12	S	39	Very low	43.4	Very low	82 Å²	82	106.6 Å²	106.6	57%	0.573	67%	0.67	S	S	*	*			trans	-119.9	91.7	144.4	-174.5	0	0	0	0	108.3	G14 A15	S12-G14 PolarHBondContact O-N 3.02Å; S12-A15 PolarHBondContact O-N 3.2Å
13	P	48.1	Very low	42.6	Very low	105 Å²	105	109.5 Å²	109.5	68%	0.682	67%	0.666	S	S	*	*	H	α-helix	trans	-62.7	-26.9	-174.4	24.5	-33.2	0	0	0	112.2	A15 A17	P13-A15 PolarHBondContact O-N 3.02Å; P13-A17 VanDerWaalsContact O-CB 3.27Å; P13-A17 WeakPolarHBondContact O-CB 3.21Å; P13-A17 PolarHBondContact O-N 3.48Å
14	G	46.8	Very low	42.9	Very low	40 Å²	40	108.9 Å²	108.9	41%	0.412	65%	0.654	S	S	.	*	H	α-helix	trans	-61.9	-37	172.2	0	0	0	0	0	113.5	S12 A17 L18	S12-G14 PolarHBondContact O-N 3.02Å; G14-A17 PolarHBondContact O-N 2.84Å; G14-L18 VanDerWaalsContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.34Å; G14-L18 PolarHBondContact O-N 3.49Å
15	A	45.5	Very low	43.6	Very low	56 Å²	56	105.4 Å²	105.4	46%	0.463	64%	0.635	S	S	.	*	H	α-helix	trans	-69.1	-43.9	-179.3	0	0	0	0	0	112.2	S12 P13 L18 C19	S12-A15 PolarHBondContact O-N 3.2Å; P13-A15 PolarHBondContact O-N 3.02Å; A15-L18 PolarHBondContact O-N 2.8Å; A15-C19 WeakPolarHBondContact O-CB 3.42Å; A15-C19 PolarHBondContact O-N 2.8Å
16	A	46.5	Very low	43.7	Very low	61 Å²	61	102 Å²	102	50%	0.504	62%	0.616	S	S	.	*	H	α-helix	trans	-66.9	-40.5	175.3	0	0	0	0	0	111.9	C19 L20	A16-C19 PolarHBondContact O-N 3.36Å; A16-L20 PolarHBondContact O-N 3.2Å
17	A	51	Low	42.5	Very low	53 Å²	53	100 Å²	100	44%	0.438	60%	0.598	S	S	.	*	H	α-helix	trans	-63.7	-43.6	175.1	0	0	0	0	0	112	P13 G14 L20 C21	P13-A17 VanDerWaalsContact O-CB 3.27Å; P13-A17 WeakPolarHBondContact O-CB 3.21Å; P13-A17 PolarHBondContact O-N 3.48Å; G14-A17 PolarHBondContact O-N 2.84Å; A17-L20 PolarHBondContact O-N 2.97Å; A17-C21 WeakPolarHBondContact O-CB 3.49Å; A17-C21 PolarHBondContact O-N 3.4Å; A17-C21 PolarHBondContact O-SG 3.01Å
18	L	49.3	Very low	43	Very low	114 Å²	114	96.5 Å²	96.5	60%	0.597	58%	0.578	S	S	*	*	H	α-helix	trans	-62.6	-43	174.8	-77	167.7	0	0	0	111.7	G14 A15 C21 M22	G14-L18 VanDerWaalsContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.34Å; G14-L18 PolarHBondContact O-N 3.49Å; A15-L18 PolarHBondContact O-N 2.8Å; L18-C21 PolarHBondContact O-N 3.25Å; L18-M22 WeakPolarHBondContact O-CB 3.27Å; L18-M22 WeakPolarHBondContact O-CG 3.09Å; L18-M22 PolarHBondContact O-N 3.48Å
19	C	46.3	Very low	43.4	Very low	89 Å²	89	90.2 Å²	90.2	60%	0.601	56%	0.559	S	S	*	*	H	α-helix	trans	-62.3	-43.6	175.6	-118.6	0	0	0	0	112.2	A15 A16 M22 W23	A15-C19 WeakPolarHBondContact O-CB 3.42Å; A15-C19 PolarHBondContact O-N 2.8Å; A16-C19 PolarHBondContact O-N 3.36Å; C19-M22 PolarHBondContact O-N 3.1Å; C19-W23 VanDerWaalsContact O-CB 3.27Å; C19-W23 WeakPolarHBondContact O-CB 3.32Å; C19-W23 PolarHBondContact O-N 2.77Å
20	L	45.2	Very low	43.8	Very low	113 Å²	113	89.4 Å²	89.4	59%	0.592	55%	0.549	S	S	*	.	H	α-helix	trans	-65.5	-38.8	173.3	-102.1	78.9	0	0	0	112.4	A16 A17 W23 N24	A16-L20 PolarHBondContact O-N 3.2Å; A17-L20 PolarHBondContact O-N 2.97Å; L20-W23 PolarHBondContact O-N 3.02Å; L20-N24 WeakPolarHBondContact O-CB 3.44Å; L20-N24 PolarHBondContact O-N 3.03Å; L20-N24 PolarHBondContact O-ND2 3.14Å; L20-N24 VanDerWaalsContact O-ND2 3.16Å
21	C	48.9	Very low	44.2	Very low	81 Å²	81	89.9 Å²	89.9	55%	0.547	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-41.5	176.2	-76.7	0	0	0	0	111.7	A17 L18 A25	A17-C21 WeakPolarHBondContact O-CB 3.49Å; A17-C21 PolarHBondContact O-N 3.4Å; A17-C21 PolarHBondContact O-SG 3.01Å; L18-C21 PolarHBondContact O-N 3.25Å; C21-A25 WeakPolarHBondContact O-CB 3.14Å; C21-A25 PolarHBondContact O-N 2.77Å
22	M	40.2	Very low	44.5	Very low	143 Å²	143	86.6 Å²	86.6	70%	0.704	52%	0.521	S	S	*	.	H	α-helix	trans	-69.5	-38.2	175.5	-70.6	-179.9	71.4	0	0	112.1	L18 C19 G26	L18-M22 WeakPolarHBondContact O-CB 3.27Å; L18-M22 WeakPolarHBondContact O-CG 3.09Å; L18-M22 PolarHBondContact O-N 3.48Å; C19-M22 PolarHBondContact O-N 3.1Å; M22-G26 PolarHBondContact O-N 2.77Å
23	W	42.2	Very low	44.8	Very low	177 Å²	177	88.2 Å²	88.2	67%	0.67	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-43.8	173.7	-175.9	-89.3	0	0	0	112	C19 L20 G26 Q27	C19-W23 VanDerWaalsContact O-CB 3.27Å; C19-W23 WeakPolarHBondContact O-CB 3.32Å; C19-W23 PolarHBondContact O-N 2.77Å; L20-W23 PolarHBondContact O-N 3.02Å; W23-G26 PolarHBondContact O-N 3.31Å; W23-Q27 WeakPolarHBondContact O-CB 3.27Å; W23-Q27 WeakPolarHBondContact O-CG 3.4Å; W23-Q27 PolarHBondContact O-N 3.49Å
24	N	41.6	Very low	44.8	Very low	90 Å²	90	86.4 Å²	86.4	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-72.5	-33.6	177.8	-71.3	-29.1	0	0	0	112.2	L20 A28	L20-N24 WeakPolarHBondContact O-CB 3.44Å; L20-N24 PolarHBondContact O-N 3.03Å; L20-N24 PolarHBondContact O-ND2 3.14Å; L20-N24 VanDerWaalsContact O-ND2 3.16Å; N24-A28 WeakPolarHBondContact O-CB 3.3Å; N24-A28 PolarHBondContact O-N 3.16Å
25	A	45.3	Very low	44.9	Very low	55 Å²	55	86.8 Å²	86.8	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-66.3	-47.1	170.4	0	0	0	0	0	110.7	C21 Q27 A28 E29	C21-A25 WeakPolarHBondContact O-CB 3.14Å; C21-A25 PolarHBondContact O-N 2.77Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.46Å; A25-A28 CarbonylContact O-C 3.32Å; A25-A28 PolarHBondContact O-N 2.82Å; A25-A28 VanDerWaalsContact O-N 3.09Å; A25-E29 VanDerWaalsContact O-CB 3.3Å; A25-E29 WeakPolarHBondContact O-CB 3.2Å; A25-E29 PolarHBondContact O-N 3.04Å
26	G	38.6	Very low	45	Very low	37 Å²	37	88.1 Å²	88.1	38%	0.381	50%	0.503	S	S	.	.	H	α-helix	trans	-60.5	-39.4	174.3	0	0	0	0	0	112.7	M22 W23 L30	M22-G26 PolarHBondContact O-N 2.77Å; W23-G26 PolarHBondContact O-N 3.31Å; G26-L30 WeakPolarHBondContact O-CB 3.33Å; G26-L30 PolarHBondContact O-N 2.88Å
27	Q	39.3	Very low	45	Very low	71 Å²	71	88 Å²	88	33%	0.332	49%	0.493	S	S	.	.	H	α-helix	trans	-69.4	-36.4	171.2	-78.1	-149.6	12.8	0	0	113.2	W23 A25 K31	W23-Q27 WeakPolarHBondContact O-CB 3.27Å; W23-Q27 WeakPolarHBondContact O-CG 3.4Å; W23-Q27 PolarHBondContact O-N 3.49Å; A25-Q27 VanDerWaalsContact C-N 3.33Å; A25-Q27 PolarHBondContact O-N 3.46Å; Q27-K31 WeakPolarHBondContact O-CB 3.45Å; Q27-K31 WeakPolarHBondContact O-CD 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.35Å; Q27-K31 PolarHBondContact O-N 3.06Å
28	A	42.3	Very low	45.2	Very low	58 Å²	58	90.6 Å²	90.6	48%	0.479	50%	0.498	S	S	.	.	H	α-helix	trans	-68.5	-38.7	176.2	0	0	0	0	0	111.1	N24 A25 K31 A32	N24-A28 WeakPolarHBondContact O-CB 3.3Å; N24-A28 PolarHBondContact O-N 3.16Å; A25-A28 CarbonylContact O-C 3.32Å; A25-A28 PolarHBondContact O-N 2.82Å; A25-A28 VanDerWaalsContact O-N 3.09Å; A28-K31 PolarHBondContact O-N 2.96Å; A28-A32 WeakPolarHBondContact O-CB 3.15Å; A28-A32 PolarHBondContact O-N 2.76Å
29	E	43.5	Very low	45.2	Very low	106 Å²	106	91.9 Å²	91.9	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-68.7	-43.4	174.7	-166.3	-170.1	144.8	0	0	111.1	A25 K31 A32 K33	A25-E29 VanDerWaalsContact O-CB 3.3Å; A25-E29 WeakPolarHBondContact O-CB 3.2Å; A25-E29 PolarHBondContact O-N 3.04Å; E29-K31 VanDerWaalsContact C-N 3.35Å; E29-K31 PolarHBondContact O-N 3.29Å; E29-A32 PolarHBondContact O-N 3.45Å; E29-K33 HydrophobicContact CG-CD 4.22Å; E29-K33 VanDerWaalsContact O-CB 3.3Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.4Å; E29-K33 WeakPolarHBondContact OE1-CE 3.19Å; E29-K33 IonicContact OE1-NZ 3.51Å; E29-K33 PolarHBondContact OE1-NZ 2.99Å
30	L	43.5	Very low	45.3	Very low	113 Å²	113	88.2 Å²	88.2	59%	0.592	47%	0.473	S	S	*	.	H	α-helix	trans	-64.5	-38.1	173.8	-171.9	68.2	0	0	0	111.8	G26 T34	G26-L30 WeakPolarHBondContact O-CB 3.33Å; G26-L30 PolarHBondContact O-N 2.88Å; L30-T34 WeakPolarHBondContact O-CB 3.18Å; L30-T34 PolarHBondContact O-N 3.33Å; L30-T34 PolarHBondContact O-OG1 2.67Å
31	K	44.9	Very low	45.6	Very low	125 Å²	125	86.3 Å²	86.3	54%	0.543	46%	0.46	S	S	.	.	H	α-helix	trans	-70	-35.2	173.3	-74.9	164.5	-171.2	164.5	0	111.9	Q27 A28 E29 T34 A35	Q27-K31 WeakPolarHBondContact O-CB 3.45Å; Q27-K31 WeakPolarHBondContact O-CD 3.23Å; Q27-K31 WeakPolarHBondContact O-CG 3.35Å; Q27-K31 PolarHBondContact O-N 3.06Å; A28-K31 PolarHBondContact O-N 2.96Å; E29-K31 VanDerWaalsContact C-N 3.35Å; E29-K31 PolarHBondContact O-N 3.29Å; K31-T34 WeakPolarHBondContact CA-OG1 3.48Å; K31-T34 PolarHBondContact O-OG1 2.83Å; K31-A35 WeakPolarHBondContact O-CB 3.48Å; K31-A35 PolarHBondContact O-N 2.85Å
32	A	47.1	Very low	45.8	Very low	49 Å²	49	89.2 Å²	89.2	41%	0.405	47%	0.465	S	S	.	.	H	α-helix	trans	-69.6	-44.6	174.3	0	0	0	0	0	111.2	A28 E29 A35 L36	A28-A32 WeakPolarHBondContact O-CB 3.15Å; A28-A32 PolarHBondContact O-N 2.76Å; E29-A32 PolarHBondContact O-N 3.45Å; A32-A35 PolarHBondContact O-N 2.75Å; A32-L36 VanDerWaalsContact O-CB 3.28Å; A32-L36 WeakPolarHBondContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.33Å; A32-L36 PolarHBondContact O-N 2.8Å
33	K	44.6	Very low	46.4	Very low	116 Å²	116	89.4 Å²	89.4	50%	0.504	46%	0.458	S	S	.	.	H	α-helix	trans	-62.6	-45.1	175	-76.6	172.9	169.3	173.1	0	111.6	E29 L36 H37	E29-K33 HydrophobicContact CG-CD 4.22Å; E29-K33 VanDerWaalsContact O-CB 3.3Å; E29-K33 WeakPolarHBondContact O-CB 3.44Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.4Å; E29-K33 WeakPolarHBondContact OE1-CE 3.19Å; E29-K33 IonicContact OE1-NZ 3.51Å; E29-K33 PolarHBondContact OE1-NZ 2.99Å; K33-L36 PolarHBondContact O-N 3.41Å; K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.13Å; K33-H37 PolarHBondContact O-N 3.49Å
34	T	49.3	Very low	46.7	Very low	67 Å²	67	81.8 Å²	81.8	41%	0.411	43%	0.43	S	S	.	.	H	α-helix	trans	-69	-37.4	174.1	47.1	0	0	0	0	113	L30 K31 H37 I38	L30-T34 WeakPolarHBondContact O-CB 3.18Å; L30-T34 PolarHBondContact O-N 3.33Å; L30-T34 PolarHBondContact O-OG1 2.67Å; K31-T34 WeakPolarHBondContact CA-OG1 3.48Å; K31-T34 PolarHBondContact O-OG1 2.83Å; T34-H37 PolarHBondContact O-N 2.76Å; T34-I38 WeakPolarHBondContact O-CB 3.48Å; T34-I38 WeakPolarHBondContact O-CD1 3.15Å; T34-I38 VanDerWaalsContact O-CG1 3.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.4Å; T34-I38 PolarHBondContact O-N 2.64Å
35	A	48.6	Very low	47.1	Very low	48 Å²	48	80 Å²	80	40%	0.397	43%	0.428	S	S	.	.	H	α-helix	trans	-67.9	-34.4	173.8	0	0	0	0	0	113	K31 A32 K39	K31-A35 WeakPolarHBondContact O-CB 3.48Å; K31-A35 PolarHBondContact O-N 2.85Å; A32-A35 PolarHBondContact O-N 2.75Å; A35-K39 WeakPolarHBondContact O-CB 3.49Å; A35-K39 VanDerWaalsContact O-CG 3.3Å; A35-K39 WeakPolarHBondContact O-CG 3.33Å; A35-K39 PolarHBondContact O-N 3.09Å
36	L	47.8	Very low	47.2	Very low	84 Å²	84	80.7 Å²	80.7	44%	0.44	43%	0.429	S	S	.	.	H	α-helix	trans	-66.4	-46.7	169.4	-83.1	164.3	0	0	0	110.6	A32 K33 I38 K39 L40	A32-L36 VanDerWaalsContact O-CB 3.28Å; A32-L36 WeakPolarHBondContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CG 3.33Å; A32-L36 PolarHBondContact O-N 2.8Å; K33-L36 PolarHBondContact O-N 3.41Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 2.83Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 WeakPolarHBondContact O-CA 3.2Å; L36-K39 WeakPolarHBondContact O-CB 3.32Å; L36-K39 PolarHBondContact O-N 3.47Å; L36-K39 VanDerWaalsContact O-N 3.12Å; L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 PolarHBondContact O-N 2.82Å
37	H	46.2	Very low	47.5	Very low	60 Å²	60	82.7 Å²	82.7	28%	0.278	43%	0.431	S	S	.	.	H	α-helix	trans	-60.3	-42.1	178	-166.9	-144.1	0	0	0	112.1	K33 T34 L40 K41 D488 F489	K33-H37 VanDerWaalsContact O-CB 3.27Å; K33-H37 WeakPolarHBondContact O-CB 3.13Å; K33-H37 PolarHBondContact O-N 3.49Å; T34-H37 PolarHBondContact O-N 2.76Å; H37-L40 PolarHBondContact O-N 3.26Å; H37-K41 WeakPolarHBondContact NE2-CE 3.42Å; H37-K41 WeakPolarHBondContact O-CG 3.42Å; H37-K41 PolarHBondContact O-N 2.97Å; H37-D488 IonicContact CE1-OD2 2.84Å; H37-D488 IonicContact NE2-OD2 3.27Å; H37-F489 AromaticContact CD2-CZ 3.74Å
38	I	53.7	Low	47.8	Very low	106 Å²	106	79.7 Å²	79.7	54%	0.544	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-41.6	173.8	-68.8	163.9	0	0	0	111	T34 L36 K41 H42	T34-I38 WeakPolarHBondContact O-CB 3.48Å; T34-I38 WeakPolarHBondContact O-CD1 3.15Å; T34-I38 VanDerWaalsContact O-CG1 3.23Å; T34-I38 WeakPolarHBondContact O-CG1 3.4Å; T34-I38 PolarHBondContact O-N 2.64Å; L36-I38 VanDerWaalsContact C-N 3.35Å; L36-I38 PolarHBondContact O-N 2.83Å; I38-K41 PolarHBondContact O-N 3.43Å; I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.84Å; I38-H42 PolarHBondContact O-N 2.98Å
39	K	49.3	Very low	47.8	Very low	142 Å²	142	85.6 Å²	85.6	62%	0.617	43%	0.429	S	S	*	.	H	α-helix	trans	-64.7	-36.6	173.3	-80.2	176.8	177.2	179.8	0	112.6	A35 L36 H42 R43	A35-K39 WeakPolarHBondContact O-CB 3.49Å; A35-K39 VanDerWaalsContact O-CG 3.3Å; A35-K39 WeakPolarHBondContact O-CG 3.33Å; A35-K39 PolarHBondContact O-N 3.09Å; L36-K39 CarbonylContact O-C 3.56Å; L36-K39 WeakPolarHBondContact O-CA 3.2Å; L36-K39 WeakPolarHBondContact O-CB 3.32Å; L36-K39 PolarHBondContact O-N 3.47Å; L36-K39 VanDerWaalsContact O-N 3.12Å; K39-H42 PolarHBondContact O-N 3.32Å; K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.92Å
40	L	50.1	Low	47.6	Very low	11 Å²	11	84.4 Å²	84.4	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-69	-45.8	175.5	-115.1	75.9	0	0	0	110.7	L36 H37 H42 R43 L44 E211 M215 F489	L36-L40 WeakPolarHBondContact O-CB 3.45Å; L36-L40 PolarHBondContact O-N 2.82Å; H37-L40 PolarHBondContact O-N 3.26Å; L40-H42 VanDerWaalsContact C-N 3.27Å; L40-H42 PolarHBondContact O-N 3.32Å; L40-R43 CarbonylContact O-C 3.48Å; L40-R43 WeakPolarHBondContact O-CA 3.38Å; L40-R43 PolarHBondContact O-N 3.36Å; L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 2.77Å; L40-E211 HydrophobicContact CD2-CB 4.48Å; L40-E211 WeakPolarHBondContact CD2-OE2 3.39Å; L40-E211 WeakPolarHBondContact CG-OE2 3.22Å; L40-M215 HydrophobicContact CD2-CE 3.55Å; L40-M215 HydrophobicContact CD2-SD 3.94Å; L40-F489 HydrophobicContact CB-CE1 4.28Å; L40-F489 HydrophobicContact CD2-CD1 4.46Å; L40-F489 HydrophobicContact CD2-CE1 3.53Å; L40-F489 HydrophobicContact CD2-CZ 3.74Å; L40-F489 HydrophobicContact CG-CE1 4.49Å
41	K	51.2	Low	47.5	Very low	73 Å²	73	83.8 Å²	83.8	32%	0.317	43%	0.425	S	S	.	.	H	α-helix	trans	-62	-34.8	174	-69.5	-162.5	175.3	-160.5	0	112.1	H37 I38 A45 D488	H37-K41 WeakPolarHBondContact NE2-CE 3.42Å; H37-K41 WeakPolarHBondContact O-CG 3.42Å; H37-K41 PolarHBondContact O-N 2.97Å; I38-K41 PolarHBondContact O-N 3.43Å; K41-A45 WeakPolarHBondContact O-CB 3.49Å; K41-A45 PolarHBondContact O-N 2.63Å; K41-D488 WeakPolarHBondContact CE-OD2 3.49Å; K41-D488 IonicContact NZ-OD1 3.68Å; K41-D488 PolarHBondContact NZ-OD1 3.32Å; K41-D488 IonicContact NZ-OD2 3.24Å; K41-D488 PolarHBondContact NZ-OD2 2.75Å
42	H	53	Low	47.4	Very low	142 Å²	142	83 Å²	83	66%	0.657	43%	0.43	S	S	*	.	H	α-helix	trans	-68.3	-36.8	168.7	-94.1	-83.6	0	0	0	114	I38 K39 L40 S46	I38-H42 WeakPolarHBondContact O-CB 3.19Å; I38-H42 PolarHBondContact O-CD2 2.84Å; I38-H42 PolarHBondContact O-N 2.98Å; K39-H42 PolarHBondContact O-N 3.32Å; L40-H42 VanDerWaalsContact C-N 3.27Å; L40-H42 PolarHBondContact O-N 3.32Å; H42-S46 WeakPolarHBondContact O-CB 3.21Å; H42-S46 PolarHBondContact O-N 2.85Å
43	R	51.6	Low	46.9	Very low	148 Å²	148	85.8 Å²	85.8	56%	0.558	44%	0.438	S	S	*	.	H	α-helix	trans	-69.3	-44.3	174.8	-90.2	-175.4	157	-154	-4.1	112.4	K39 L40 A45 S46 L47 E211	K39-R43 WeakPolarHBondContact O-CB 3.38Å; K39-R43 PolarHBondContact O-N 2.92Å; L40-R43 CarbonylContact O-C 3.48Å; L40-R43 WeakPolarHBondContact O-CA 3.38Å; L40-R43 PolarHBondContact O-N 3.36Å; R43-A45 VanDerWaalsContact C-N 3.34Å; R43-S46 CarbonylContact O-C 3.56Å; R43-S46 WeakPolarHBondContact O-CA 3.23Å; R43-S46 VanDerWaalsContact O-CB 3.22Å; R43-S46 WeakPolarHBondContact O-CB 3.46Å; R43-S46 PolarHBondContact O-N 3.22Å; R43-L47 WeakPolarHBondContact O-CG 3.33Å; R43-L47 PolarHBondContact O-N 2.93Å; R43-E211 IonicContact NH1-OE1 2.7Å; R43-E211 PolarHBondContact NH1-OE1 3.05Å
44	L	49.3	Very low	46.6	Very low	17 Å²	17	85.5 Å²	85.5	9%	0.089	44%	0.44	C	S	.	.	H	α-helix	trans	-64.1	-39.5	174.8	-69.7	164.7	0	0	0	110.7	L40 S46 L47 G48 F489	L40-L44 WeakPolarHBondContact O-CB 3.39Å; L40-L44 WeakPolarHBondContact O-CG 3.29Å; L40-L44 PolarHBondContact O-N 2.77Å; L44-S46 PolarHBondContact O-N 3.01Å; L44-L47 HydrophobicContact CD2-CD1 4.44Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-G48 PolarHBondContact O-N 3.18Å; L44-F489 HydrophobicContact CD1-CD1 3.84Å; L44-F489 HydrophobicContact CD1-CE1 4.14Å
45	A	50.2	Low	46	Very low	53 Å²	53	86.2 Å²	86.2	44%	0.438	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-21.9	169.4	0	0	0	0	0	113.7	K41 R43 R49	K41-A45 WeakPolarHBondContact O-CB 3.49Å; K41-A45 PolarHBondContact O-N 2.63Å; R43-A45 VanDerWaalsContact C-N 3.34Å; A45-R49 WeakPolarHBondContact O-CG 3.49Å
46	S	46.4	Very low	45.3	Very low	68 Å²	68	88.9 Å²	88.9	48%	0.476	45%	0.45	S	S	.	.	H	α-helix	trans	-81	-43.1	171.8	-163.1	0	0	0	0	111.6	H42 R43 L44 G48 R49 V50	H42-S46 WeakPolarHBondContact O-CB 3.21Å; H42-S46 PolarHBondContact O-N 2.85Å; R43-S46 CarbonylContact O-C 3.56Å; R43-S46 WeakPolarHBondContact O-CA 3.23Å; R43-S46 VanDerWaalsContact O-CB 3.22Å; R43-S46 WeakPolarHBondContact O-CB 3.46Å; R43-S46 PolarHBondContact O-N 3.22Å; L44-S46 PolarHBondContact O-N 3.01Å; S46-G48 VanDerWaalsContact C-N 3.32Å; S46-G48 PolarHBondContact O-N 3.01Å; S46-R49 WeakPolarHBondContact O-CB 3.36Å; S46-R49 PolarHBondContact O-N 2.77Å; S46-V50 PolarHBondContact O-N 3.49Å; S46-V50 VanDerWaalsContact O-N 3.09Å
47	L	46.7	Very low	44.7	Very low	80 Å²	80	90.7 Å²	90.7	42%	0.419	46%	0.46	S	S	.	.	H	α-helix	trans	-63.7	-37.3	173.7	-70.9	167.7	0	0	0	111.2	R43 L44 R49 V50 L51	R43-L47 WeakPolarHBondContact O-CG 3.33Å; R43-L47 PolarHBondContact O-N 2.93Å; L44-L47 HydrophobicContact CD2-CD1 4.44Å; L44-L47 PolarHBondContact O-N 2.85Å; L47-R49 VanDerWaalsContact C-N 3.28Å; L47-R49 PolarHBondContact O-N 3.34Å; L47-V50 WeakPolarHBondContact O-CA 3.24Å; L47-V50 WeakPolarHBondContact O-CB 3.48Å; L47-V50 PolarHBondContact O-N 3.25Å; L47-L51 PolarHBondContact O-N 3.04Å
48	G	44.2	Very low	44.3	Very low	8 Å²	8	95.9 Å²	95.9	8%	0.082	48%	0.484	C	S	.	.	H	α-helix	trans	-58.4	-36.8	170	0	0	0	0	0	112.9	L44 S46 V52	L44-G48 PolarHBondContact O-N 3.18Å; S46-G48 VanDerWaalsContact C-N 3.32Å; S46-G48 PolarHBondContact O-N 3.01Å; G48-V52 WeakPolarHBondContact O-CB 3.47Å; G48-V52 VanDerWaalsContact O-CG2 3.24Å; G48-V52 WeakPolarHBondContact O-CG2 3.34Å; G48-V52 PolarHBondContact O-N 2.86Å
49	R	42.6	Very low	43.3	Very low	182 Å²	182	100.3 Å²	100.3	69%	0.687	49%	0.494	S	S	*	.	H	α-helix	trans	-69.5	-34.3	171.9	-65.9	173.4	-164.4	-148.9	1.6	112.4	A45 S46 L47 L53	A45-R49 WeakPolarHBondContact O-CG 3.49Å; S46-R49 WeakPolarHBondContact O-CB 3.36Å; S46-R49 PolarHBondContact O-N 2.77Å; L47-R49 VanDerWaalsContact C-N 3.28Å; L47-R49 PolarHBondContact O-N 3.34Å; R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 WeakPolarHBondContact O-CD1 3.38Å; R49-L53 VanDerWaalsContact O-CG 3.22Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 2.73Å; R49-L53 VanDerWaalsContact O-N 3.17Å
50	V	38.6	Very low	42.5	Very low	80 Å²	80	100.7 Å²	100.7	49%	0.485	50%	0.497	S	S	.	.	H	α-helix	trans	-66.1	-45.1	174.7	176.7	0	0	0	0	110.6	S46 L47 L53 M54	S46-V50 PolarHBondContact O-N 3.49Å; S46-V50 VanDerWaalsContact O-N 3.09Å; L47-V50 WeakPolarHBondContact O-CA 3.24Å; L47-V50 WeakPolarHBondContact O-CB 3.48Å; L47-V50 PolarHBondContact O-N 3.25Å; V50-L53 PolarHBondContact O-N 2.76Å; V50-L53 VanDerWaalsContact O-N 3.15Å; V50-M54 PolarHBondContact O-N 3.46Å
51	L	41.4	Very low	41.8	Very low	100 Å²	100	109.5 Å²	109.5	52%	0.524	54%	0.535	S	S	.	.	H	α-helix	trans	-61.7	-44.2	175.7	-73.1	167	0	0	0	112	L47 L53 M54 P55	L47-L51 PolarHBondContact O-N 3.04Å; L51-L53 PolarHBondContact O-N 3.48Å; L51-M54 PolarHBondContact O-N 3.43Å; L51-P55 WeakPolarHBondContact O-CD 3.49Å
52	V	42.7	Very low	40.8	Very low	108 Å²	108	111 Å²	111	66%	0.655	55%	0.55	S	S	*	*	H	α-helix	trans	-64.2	-20.8	175.8	168.4	0	0	0	0	113.1	G48	G48-V52 WeakPolarHBondContact O-CB 3.47Å; G48-V52 VanDerWaalsContact O-CG2 3.24Å; G48-V52 WeakPolarHBondContact O-CG2 3.34Å; G48-V52 PolarHBondContact O-N 2.86Å
53	L	38.1	Very low	39.5	Very low	108 Å²	108	111.8 Å²	111.8	57%	0.565	56%	0.556	S	S	*	*	H	α-helix	trans	-93.9	-10.9	178.1	-71.8	168.8	0	0	0	114.5	R49 V50 L51	R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 WeakPolarHBondContact O-CD1 3.38Å; R49-L53 VanDerWaalsContact O-CG 3.22Å; R49-L53 WeakPolarHBondContact O-CG 3.4Å; R49-L53 PolarHBondContact O-N 2.73Å; R49-L53 VanDerWaalsContact O-N 3.17Å; V50-L53 PolarHBondContact O-N 2.76Å; V50-L53 VanDerWaalsContact O-N 3.15Å; L51-L53 PolarHBondContact O-N 3.48Å
54	M	37.3	Very low	38.5	Very low	110 Å²	110	113.7 Å²	113.7	54%	0.542	57%	0.569	S	S	.	*	H	α-helix	trans	-61.9	-41.2	176.8	-74.9	-76.4	102.8	0	0	114.2	V50 L51 E56	V50-M54 PolarHBondContact O-N 3.46Å; L51-M54 PolarHBondContact O-N 3.43Å; M54-E56 VanDerWaalsContact C-N 3.32Å; M54-E56 PolarHBondContact O-N 3.42Å
55	P	37.7	Very low	37.3	Very low	83 Å²	83	124 Å²	124	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-63.4	-34.8	180	-24.5	35.4	0	0	0	113.8	L51 L57 H58 R59	L51-P55 WeakPolarHBondContact O-CD 3.49Å; P55-L57 PolarHBondContact O-N 3.21Å; P55-H58 PolarHBondContact O-N 3.13Å; P55-R59 PolarHBondContact O-N 2.8Å
56	E	33.4	Very low	36.1	Very low	103 Å²	103	125.6 Å²	125.6	48%	0.481	62%	0.615	S	S	.	*	H	α-helix	trans	-68.8	-35.8	-171	-142.6	58.4	-136.9	0	0	112.3	M54 H58 R59	M54-E56 VanDerWaalsContact C-N 3.32Å; M54-E56 PolarHBondContact O-N 3.42Å; E56-H58 VanDerWaalsContact C-N 3.34Å; E56-H58 PolarHBondContact O-N 3.39Å; E56-R59 PolarHBondContact O-N 3.17Å
57	L	34.5	Very low	35.1	Very low	122 Å²	122	133.2 Å²	133.2	64%	0.639	63%	0.633	S	S	*	*	H	α-helix	trans	-70.3	-26	178.4	-84.7	165.5	0	0	0	113.7	P55	P55-L57 PolarHBondContact O-N 3.21Å
58	H	37.7	Very low	34.1	Very low	169 Å²	169	137.6 Å²	137.6	78%	0.782	65%	0.651	S	S	*	*	H	α-helix	trans	-84.6	-25	175.8	-108.4	94.8	0	0	0	113.2	P55 E56	P55-H58 PolarHBondContact O-N 3.13Å; E56-H58 VanDerWaalsContact C-N 3.34Å; E56-H58 PolarHBondContact O-N 3.39Å
59	R	34.2	Very low	33.5	Very low	200 Å²	200	142.8 Å²	142.8	76%	0.755	68%	0.683	S	S	*	*	H	α-helix	trans	-81.7	-21.3	-176	-147.9	172	-169.8	173.1	4.1	114.3	P55 E56 K61	P55-R59 PolarHBondContact O-N 2.8Å; E56-R59 PolarHBondContact O-N 3.17Å; R59-K61 PolarHBondContact O-N 3.29Å
60	Q	32.6	Very low	32.6	Very low	149 Å²	149	139.7 Å²	139.7	70%	0.696	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-3.7	-176.4	-70	-174.9	7.6	0	0	115.9
61	K	33.5	Very low	31.9	Very low	196 Å²	196	141.1 Å²	141.1	85%	0.852	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	4.8	-176.4	-86.1	-179.7	177	171.9	0	115.9	R59	R59-K61 PolarHBondContact O-N 3.29Å
62	T	31.8	Very low	31.2	Very low	104 Å²	104	141.9 Å²	141.9	64%	0.638	72%	0.717	S	S	*	*	S	Bend	trans	-127.2	130.9	179.7	55.2	0	0	0	0	112.9
63	M	25.6	Very low	30.4	Very low	159 Å²	159	144 Å²	144	78%	0.783	73%	0.725	S	S	*	*			trans	71.5	137.3	-174	-52.9	-153.4	-155.8	0	0	114.3
64	K	29.3	Very low	29.9	Very low	188 Å²	188	146.2 Å²	146.2	82%	0.817	74%	0.737	S	S	*	*			cis	-153.7	145.2	-0.8	-113.9	156.7	-177.6	166.4	0	108.3
65	R	25.5	Very low	29.6	Very low	234 Å²	234	145.4 Å²	145.4	88%	0.883	74%	0.742	S	S	*	*			trans	-141.1	109.2	156.8	-159.3	173	-164.8	175.1	6.8	111
66	S	24	Very low	29.2	Very low	87 Å²	87	148.9 Å²	148.9	61%	0.608	76%	0.756	S	S	*	*			trans	-75.4	149	174.6	176.2	0	0	0	0	111.5
67	R	25.6	Very low	29	Very low	228 Å²	228	151.9 Å²	151.9	86%	0.86	78%	0.775	S	S	*	*			trans	-140.2	147.5	148.8	-79.2	-163.8	165.1	176.9	-5.5	109.9
68	H	25	Very low	28.6	Very low	172 Å²	172	149 Å²	149	80%	0.796	78%	0.775	S	S	*	*			trans	-92.9	169.2	-175.5	-82.5	-81.4	0	0	0	112.3
69	P	32.3	Very low	28.2	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	78%	0.777	S	S	*	*			trans	-98.3	160.6	-155.7	37.9	-36.6	0	0	0	116
70	S	24.4	Very low	27.9	Very low	118 Å²	118	145 Å²	145	83%	0.825	78%	0.783	S	S	*	*			trans	-150.2	129.7	154.1	-80.2	0	0	0	0	106.2
71	S	24.1	Very low	27.6	Very low	110 Å²	110	143.2 Å²	143.2	77%	0.769	79%	0.788	S	S	*	*				90	92.8	53.4	-171.3	0	0	0	0	112.5
72	S	26.6	Very low	27.2	Very low	116 Å²	116	140.4 Å²	140.4	81%	0.811	79%	0.787	S	S	*	*			trans	-172.2	141.1	142.7	2.7	0	0	0	0	109
73	D	26.1	Very low	27	Very low	153 Å²	153	141 Å²	141	82%	0.818	79%	0.794	S	S	*	*			trans	-79.8	153.2	172.2	-47.5	-89.2	0	0	0	110.7
74	D	27.6	Very low	26.9	Very low	153 Å²	153	144.2 Å²	144.2	82%	0.818	80%	0.798	S	S	*	*				-171.7	-175.2	93.5	-136.9	-43	0	0	0	112.1
75	S	30.4	Very low	27	Very low	93 Å²	93	140.2 Å²	140.2	65%	0.65	79%	0.793	S	S	*	*			trans	-100.8	163.5	-143.5	-51.9	0	0	0	0	117.1
76	D	28.5	Very low	27.3	Very low	157 Å²	157	137.5 Å²	137.5	84%	0.84	79%	0.791	S	S	*	*			trans	80.1	119.3	143.6	-80.7	-3.7	0	0	0	124.5
77	N	29	Very low	27.7	Very low	166 Å²	166	141.7 Å²	141.7	89%	0.888	80%	0.8	S	S	*	*			trans	86.8	147.2	131.9	-160.3	17.1	0	0	0	119.8
78	G	26.6	Very low	28	Very low	61 Å²	61	136.5 Å²	136.5	63%	0.629	80%	0.799	S	S	*	*			trans	121.4	75.8	162.2	0	0	0	0	0	118.8
79	S	29.6	Very low	28.1	Very low	117 Å²	117	133.5 Å²	133.5	82%	0.818	80%	0.797	S	S	*	*			trans	32.3	127.7	141.8	-61.1	0	0	0	0	123.4
80	N	26.9	Very low	28.1	Very low	167 Å²	167	135.9 Å²	135.9	89%	0.893	80%	0.798	S	S	*	*			trans	-3.5	117.4	149.7	-56.5	-9.4	0	0	0	119.4
81	S	27.3	Very low	28.4	Very low	113 Å²	113	137.4 Å²	137.4	79%	0.79	79%	0.792	S	S	*	*				-177	113.3	129.2	-175.1	0	0	0	0	111.8
82	T	25.5	Very low	28.8	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	79%	0.792	S	S	*	*			trans	-97.9	86.4	173.7	33.4	0	0	0	0	111.8
83	C	26.8	Very low	29.2	Very low	118 Å²	118	147.5 Å²	147.5	80%	0.797	80%	0.796	S	S	*	*			trans	-84.1	130.1	163.3	-171.2	0	0	0	0	110.2
84	W	23.4	Very low	29.5	Very low	225 Å²	225	143.9 Å²	143.9	85%	0.852	79%	0.794	S	S	*	*			trans	-110.7	107.8	177.3	-94.4	56.1	0	0	0	111.3
85	S	31.5	Very low	30.2	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	80%	0.802	S	S	*	*			trans	-178.8	143.8	155.8	-85.7	0	0	0	0	110.3
86	Q	31.8	Very low	30.7	Very low	177 Å²	177	143.1 Å²	143.1	83%	0.827	81%	0.806	S	S	*	*			cis	-155.5	174.8	-10.1	-126.9	-176.9	22.6	0	0	111.5
87	H	33.6	Very low	31.7	Very low	175 Å²	175	145 Å²	145	81%	0.81	81%	0.81	S	S	*	*			trans	-64.9	161.6	-170.3	-73.6	-115	0	0	0	117.5
88	S	30.4	Very low	32.6	Very low	119 Å²	119	146.3 Å²	146.3	83%	0.832	81%	0.808	S	S	*	*			trans	73.8	139	144.1	-161.8	0	0	0	0	119.6
89	S	28.3	Very low	33.6	Very low	109 Å²	109	146 Å²	146	76%	0.762	79%	0.794	S	S	*	*			trans	-151.3	98.4	167.7	65.6	0	0	0	0	112.4
90	Q	32.1	Very low	34.6	Very low	166 Å²	166	144.3 Å²	144.3	78%	0.776	78%	0.782	S	S	*	*			trans	-164.5	136.2	153	-98.4	163.1	34.4	0	0	106.4
91	H	31.1	Very low	36.1	Very low	150 Å²	150	141.9 Å²	141.9	69%	0.694	77%	0.766	S	S	*	*			cis	-137.4	151.3	12.6	-102.7	-41.9	0	0	0	114.6
92	R	32.4	Very low	37.6	Very low	202 Å²	202	140.1 Å²	140.1	76%	0.762	75%	0.75	S	S	*	*			trans	43.6	115.8	147.4	-63.7	-172.6	179.2	-128.3	-1.1	121.7
93	R	35.1	Very low	39.4	Very low	237 Å²	237	139 Å²	139	89%	0.894	73%	0.734	S	S	*	*			trans	51.3	95.8	134.2	-57.9	-171.4	-172.4	-164.5	2.6	118.6
94	G	31.3	Very low	41.1	Very low	76 Å²	76	138.9 Å²	138.9	78%	0.784	72%	0.717	S	S	*	*			trans	-161	141.1	155.1	0	0	0	0	0	109.3	G96	G94-G96 PolarHBondContact O-N 3.12Å
95	T	42.6	Very low	43.1	Very low	159 Å²	159	132 Å²	132	98%	0.975	70%	0.7	S	S	*	*			trans	-82.5	112.2	-175.7	45.8	0	0	0	0	112
96	G	40.4	Very low	44.7	Very low	72 Å²	72	130.2 Å²	130.2	74%	0.742	68%	0.682	S	S	*	*			trans	-172.3	120.9	168.6	0	0	0	0	0	110.1	G94	G94-G96 PolarHBondContact O-N 3.12Å
97	Q	50	Low	46.3	Very low	195 Å²	195	126.1 Å²	126.1	91%	0.911	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-71.5	140.3	173	-73.5	-173.1	-21.3	0	0	109.6
98	K	48	Very low	47.9	Very low	195 Å²	195	118.9 Å²	118.9	85%	0.848	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.3	165.4	-70.3	-171.8	175.1	-171.6	0	108.1
99	P	47.6	Very low	49.6	Very low	53 Å²	53	118.4 Å²	118.4	34%	0.344	62%	0.621	S	S	.	*	P	Polyproline II helix	trans	-62.7	146.6	173.2	27.8	-33.9	0	0	0	109.8
100	S	51.3	Low	51.4	Low	82 Å²	82	117.2 Å²	117.2	57%	0.573	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-70.6	129.1	170.9	40.7	0	0	0	0	109.9	V143	S100-V143 VanDerWaalsContact O-CG2 3.26Å; S100-V143 WeakPolarHBondContact O-CG2 3.28Å
101	E	58.4	Low	53	Low	116 Å²	116	116.7 Å²	116.7	54%	0.542	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	128.2	-178.3	-62.2	175.1	-157.4	0	0	109.9	F103 Q140	E101-F103 HydrophobicContact CB-CE2 4.37Å; E101-Q140 PolarHBondContact OE2-NE2 3Å
102	V	58.6	Low	54.8	Low	76 Å²	76	114.9 Å²	114.9	46%	0.461	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.9	123.9	175.9	-177.3	0	0	0	0	109	V141 V143	V102-V141 PolarHBondContact O-N 3.49Å; V102-V143 HydrophobicContact CG2-CG2 4.43Å
103	F	61.8	Low	56.7	Low	114 Å²	114	110.2 Å²	110.2	50%	0.5	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.2	124.8	176.9	-67.8	-94	0	0	0	109.8	E101 V139 Q140	E101-F103 HydrophobicContact CB-CE2 4.37Å; F103-V139 WeakPolarHBondContact CA-O 3.48Å; F103-Q140 HydrophobicContact CD1-CB 4.1Å; F103-Q140 HydrophobicContact CE1-CB 3.7Å; F103-Q140 HydrophobicContact CE1-CG 3.99Å; F103-Q140 HydrophobicContact CZ-CB 4.18Å; F103-Q140 HydrophobicContact CZ-CG 3.93Å
104	R	64.3	Low	58.1	Low	115 Å²	115	105.7 Å²	105.7	43%	0.434	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.9	113.4	178.7	-81.1	-166.4	69.6	150.8	-0.9	111.5	D106 F107 G138 V139 V141	R104-D106 WeakPolarHBondContact CB-OD1 3.49Å; R104-D106 IonicContact CZ-OD1 2.98Å; R104-D106 IonicContact CZ-OD2 2.68Å; R104-D106 IonicContact NE-OD1 3.5Å; R104-D106 PolarHBondContact NE-OD1 3.04Å; R104-D106 IonicContact NE-OD2 2.75Å; R104-D106 IonicContact NH2-OD1 2.69Å; R104-D106 PolarHBondContact NH2-OD1 3.43Å; R104-D106 IonicContact NH2-OD2 3.95Å; R104-D106 PolarHBondContact NH2-OD2 3.12Å; R104-F107 HydrophobicContact CB-CD2 3.88Å; R104-F107 HydrophobicContact CB-CE2 4.17Å; R104-G138 CarbonylContact O-C 3.55Å; R104-G138 VanDerWaalsContact O-CA 3.25Å; R104-G138 WeakPolarHBondContact O-CA 3.5Å; R104-V139 PolarHBondContact N-O 3.49Å; R104-V139 PolarHBondContact O-N 3.31Å; R104-V141 HydrophobicContact CB-CG2 4.28Å; R104-V141 HydrophobicContact CG-CG2 4.49Å
105	T	64.9	Low	59.6	Low	80 Å²	80	110.3 Å²	110.3	49%	0.491	59%	0.592	S	S	.	*	S	Bend	trans	-76	-28.2	-178.9	44.8	0	0	0	0	113.1	F107 I108 T109 K137	T105-F107 VanDerWaalsContact C-N 3.34Å; T105-F107 PolarHBondContact O-N 2.77Å; T105-I108 PolarHBondContact O-N 3.07Å; T105-I108 VanDerWaalsContact O-N 3.12Å; T105-T109 PolarHBondContact O-N 3.47Å; T105-T109 PolarHBondContact O-OG1 2.88Å; T105-K137 WeakPolarHBondContact CG2-O 3.43Å
106	D	65.6	Low	60.8	Low	66 Å²	66	107.2 Å²	107.2	35%	0.353	58%	0.577	S	S	.	*	H	α-helix	trans	-64.1	-33.7	-173.4	59.3	-59.3	0	0	0	113.6	R104 I108 T109 A110	R104-D106 WeakPolarHBondContact CB-OD1 3.49Å; R104-D106 IonicContact CZ-OD1 2.98Å; R104-D106 IonicContact CZ-OD2 2.68Å; R104-D106 IonicContact NE-OD1 3.5Å; R104-D106 PolarHBondContact NE-OD1 3.04Å; R104-D106 IonicContact NE-OD2 2.75Å; R104-D106 IonicContact NH2-OD1 2.69Å; R104-D106 PolarHBondContact NH2-OD1 3.43Å; R104-D106 IonicContact NH2-OD2 3.95Å; R104-D106 PolarHBondContact NH2-OD2 3.12Å; D106-I108 PolarHBondContact O-N 3Å; D106-T109 PolarHBondContact O-N 2.75Å; D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 2.85Å
107	F	63.6	Low	62.4	Low	91 Å²	91	111.1 Å²	111.1	40%	0.399	57%	0.571	S	S	.	*	H	α-helix	trans	-65.3	-36.2	174	-66.5	-58.5	0	0	0	113.1	R104 T105 A110 M111 V139 V141	R104-F107 HydrophobicContact CB-CD2 3.88Å; R104-F107 HydrophobicContact CB-CE2 4.17Å; T105-F107 VanDerWaalsContact C-N 3.34Å; T105-F107 PolarHBondContact O-N 2.77Å; F107-A110 PolarHBondContact O-N 3.23Å; F107-M111 WeakPolarHBondContact O-CB 3.49Å; F107-M111 VanDerWaalsContact O-CG 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.5Å; F107-M111 PolarHBondContact O-N 3.32Å; F107-V139 HydrophobicContact CB-CG2 4.01Å; F107-V141 HydrophobicContact CE2-CG2 4.41Å
108	I	68	Low	63.2	Low	23 Å²	23	110.7 Å²	110.7	12%	0.118	57%	0.569	C	S	.	*	H	α-helix	trans	-70.1	-42.2	176.9	-55.5	-168.1	0	0	0	109.9	T105 D106 A110 M111 K112 W135 V139	T105-I108 PolarHBondContact O-N 3.07Å; T105-I108 VanDerWaalsContact O-N 3.12Å; D106-I108 PolarHBondContact O-N 3Å; I108-A110 VanDerWaalsContact C-N 3.26Å; I108-A110 PolarHBondContact O-N 3.18Å; I108-M111 PolarHBondContact O-N 2.9Å; I108-M111 VanDerWaalsContact O-N 3.16Å; I108-K112 HydrophobicContact CG2-CD 4.32Å; I108-K112 HydrophobicContact CG2-CG 4.22Å; I108-K112 WeakPolarHBondContact O-CG 3.28Å; I108-K112 PolarHBondContact O-N 2.97Å; I108-W135 WeakPolarHBondContact CD1-O 3.3Å; I108-V139 HydrophobicContact CD1-CG2 4.13Å; I108-V139 HydrophobicContact CG1-CG2 3.6Å
109	T	66.5	Low	64.2	Low	109 Å²	109	105.4 Å²	105.4	67%	0.669	55%	0.549	S	S	*	.	H	α-helix	trans	-62.6	-32.9	175.6	-50.8	0	0	0	0	112.3	T105 D106	T105-T109 PolarHBondContact O-N 3.47Å; T105-T109 PolarHBondContact O-OG1 2.88Å; D106-T109 PolarHBondContact O-N 2.75Å
110	A	66.5	Low	65.4	Low	85 Å²	85	107.9 Å²	107.9	70%	0.702	56%	0.559	S	S	*	*	H	α-helix	trans	-77.4	-23.4	175.2	0	0	0	0	0	114.1	D106 F107 I108	D106-A110 WeakPolarHBondContact O-CB 3.35Å; D106-A110 PolarHBondContact O-N 2.85Å; F107-A110 PolarHBondContact O-N 3.23Å; I108-A110 VanDerWaalsContact C-N 3.26Å; I108-A110 PolarHBondContact O-N 3.18Å
111	M	64.5	Low	66.3	Low	155 Å²	155	108.4 Å²	108.4	76%	0.764	56%	0.561	S	S	*	*	H	α-helix	trans	-96.3	-18.4	179.9	-71.1	176.3	65.5	0	0	114	F107 I108 L113	F107-M111 WeakPolarHBondContact O-CB 3.49Å; F107-M111 VanDerWaalsContact O-CG 3.28Å; F107-M111 WeakPolarHBondContact O-CG 3.5Å; F107-M111 PolarHBondContact O-N 3.32Å; I108-M111 PolarHBondContact O-N 2.9Å; I108-M111 VanDerWaalsContact O-N 3.16Å; M111-L113 PolarHBondContact O-N 3.22Å
112	K	70.1	Confident	67	Low	112 Å²	112	111.4 Å²	111.4	49%	0.487	58%	0.575	S	S	.	*			trans	-74.9	109.3	173.9	-80.6	-170.4	175.3	-167.3	0	110.7	I108 E136	I108-K112 HydrophobicContact CG2-CD 4.32Å; I108-K112 HydrophobicContact CG2-CG 4.22Å; I108-K112 WeakPolarHBondContact O-CG 3.28Å; I108-K112 PolarHBondContact O-N 2.97Å; K112-E136 IonicContact NZ-OE1 2.64Å; K112-E136 PolarHBondContact NZ-OE1 3.36Å
113	L	71.3	Confident	67.7	Low	103 Å²	103	113.3 Å²	113.3	54%	0.539	58%	0.583	S	S	.	*			trans	-69.5	157.3	161	-64.5	174.6	0	0	0	110.2	M111 Y117 L119	M111-L113 PolarHBondContact O-N 3.22Å; L113-Y117 HydrophobicContact CD1-CD1 4.24Å; L113-L119 HydrophobicContact CD1-CD1 4.12Å; L113-L119 HydrophobicContact CD1-CD2 3.91Å; L113-L119 HydrophobicContact CD1-CG 4.44Å
114	H	64.8	Low	68.2	Low	143 Å²	143	112.9 Å²	112.9	66%	0.662	58%	0.579	S	S	*	*			trans	-76.2	141.3	176.4	-171.1	-102.9	0	0	0	110.6	S116 Y117	H114-S116 PolarHBondContact ND1-OG 3.33Å; H114-S116 PolarHBondContact O-N 2.91Å; H114-Y117 VanDerWaalsContact O-CB 3.24Å; H114-Y117 WeakPolarHBondContact O-CB 3Å; H114-Y117 PolarHBondContact O-N 3.13Å
115	D	62.4	Low	68.4	Low	172 Å²	172	118 Å²	118	92%	0.92	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-16.1	-173.5	-55.8	-18.2	0	0	0	114.9
116	S	67.6	Low	68.5	Low	95 Å²	95	120.2 Å²	120.2	66%	0.664	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	3.4	175.3	73.1	0	0	0	0	114.6	H114	H114-S116 PolarHBondContact ND1-OG 3.33Å; H114-S116 PolarHBondContact O-N 2.91Å
117	Y	74.7	Confident	68.4	Low	153 Å²	153	123.6 Å²	123.6	60%	0.6	63%	0.63	S	S	*	*			trans	-86.9	113.8	-177.4	-158.1	-82.7	0	0	0	110.2	L113 H114 L119	L113-Y117 HydrophobicContact CD1-CD1 4.24Å; H114-Y117 VanDerWaalsContact O-CB 3.24Å; H114-Y117 WeakPolarHBondContact O-CB 3Å; H114-Y117 PolarHBondContact O-N 3.13Å; Y117-L119 HydrophobicContact CD1-CD2 3.83Å; Y117-L119 HydrophobicContact CD1-CG 4.35Å; Y117-L119 HydrophobicContact CE1-CD2 4.02Å; Y117-L119 PolarHBondContact O-N 3.38Å
118	Q	65.8	Low	68.4	Low	186 Å²	186	124.2 Å²	124.2	87%	0.869	65%	0.652	S	S	*	*			trans	-75.1	125.5	179.2	-67.4	180	-16.4	0	0	110.3
119	L	70.5	Confident	68.3	Low	84 Å²	84	128.9 Å²	128.9	44%	0.44	68%	0.677	S	S	.	*			trans	-114.1	144.5	175.4	-63.8	174.1	0	0	0	109.6	L113 Y117 Y124	L113-L119 HydrophobicContact CD1-CD1 4.12Å; L113-L119 HydrophobicContact CD1-CD2 3.91Å; L113-L119 HydrophobicContact CD1-CG 4.44Å; Y117-L119 HydrophobicContact CD1-CD2 3.83Å; Y117-L119 HydrophobicContact CD1-CG 4.35Å; Y117-L119 HydrophobicContact CE1-CD2 4.02Å; Y117-L119 PolarHBondContact O-N 3.38Å; L119-Y124 HydrophobicContact CB-CD1 3.74Å; L119-Y124 HydrophobicContact CB-CE1 3.93Å; L119-Y124 HydrophobicContact CD1-CD1 4.3Å
120	N	72.1	Confident	68.2	Low	105 Å²	105	128.6 Å²	128.6	56%	0.561	68%	0.677	S	S	*	*			trans	-73.6	141.1	174	-52.1	-62.2	0	0	0	109.8	E122 D123 Y124	N120-E122 PolarHBondContact O-N 2.87Å; N120-D123 WeakPolarHBondContact CB-OD2 3.27Å; N120-D123 PolarHBondContact ND2-OD2 3.41Å; N120-D123 PolarHBondContact O-N 3.12Å; N120-Y124 WeakPolarHBondContact O-CD1 3.47Å; N120-Y124 VanDerWaalsContact O-CE1 3.23Å; N120-Y124 WeakPolarHBondContact O-CE1 3.23Å
121	P	69.7	Low	68.4	Low	94 Å²	94	131.4 Å²	131.4	61%	0.61	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-21.6	179	-28.9	36.8	0	0	0	116
122	E	74.1	Confident	68.7	Low	179 Å²	179	130.6 Å²	130.6	84%	0.836	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-19.2	178.3	-50.5	-61.4	153.3	0	0	113.1	N120	N120-E122 PolarHBondContact O-N 2.87Å
123	D	73.4	Confident	68.4	Low	116 Å²	116	132.3 Å²	132.3	62%	0.62	67%	0.668	S	S	*	*	S	Bend	trans	-91.2	-3.2	-172.4	-68.4	-37.5	0	0	0	113.5	N120	N120-D123 WeakPolarHBondContact CB-OD2 3.27Å; N120-D123 PolarHBondContact ND2-OD2 3.41Å; N120-D123 PolarHBondContact O-N 3.12Å
124	Y	71.4	Confident	68.1	Low	105 Å²	105	132 Å²	132	41%	0.412	66%	0.663	S	S	.	*			trans	-140.8	148.5	-178.3	66.4	-95.3	0	0	0	113.9	L119 N120 V126	L119-Y124 HydrophobicContact CB-CD1 3.74Å; L119-Y124 HydrophobicContact CB-CE1 3.93Å; L119-Y124 HydrophobicContact CD1-CD1 4.3Å; N120-Y124 WeakPolarHBondContact O-CD1 3.47Å; N120-Y124 VanDerWaalsContact O-CE1 3.23Å; N120-Y124 WeakPolarHBondContact O-CE1 3.23Å; Y124-V126 HydrophobicContact CD2-CG2 4.26Å; Y124-V126 HydrophobicContact CE2-CG2 3.89Å
125	Y	67.9	Low	68.1	Low	222 Å²	222	129.9 Å²	129.9	87%	0.871	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-97.4	129.6	172	-66.6	-78.9	0	0	0	110.8	L127	Y125-L127 PolarHBondContact O-N 2.73Å
126	V	68.6	Low	68.3	Low	126 Å²	126	125.8 Å²	125.8	76%	0.764	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-77.7	116.7	171.5	-179.4	0	0	0	0	109.3	Y124	Y124-V126 HydrophobicContact CD2-CG2 4.26Å; Y124-V126 HydrophobicContact CE2-CG2 3.89Å
127	L	63.4	Low	68	Low	137 Å²	137	128.4 Å²	128.4	72%	0.717	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-75	130.9	170.2	-63.5	177	0	0	0	109.7	Y125	Y125-L127 PolarHBondContact O-N 2.73Å
128	A	62.8	Low	67.6	Low	104 Å²	104	121.5 Å²	121.5	86%	0.86	60%	0.6	S	S	*	*	S	Bend	trans	-80.5	-21.6	179.5	0	0	0	0	0	113.4
129	D	66.1	Low	67.5	Low	122 Å²	122	115.7 Å²	115.7	65%	0.652	58%	0.577	S	S	*	*	S	Bend	trans	-76	128.2	174.9	-78.2	-31.9	0	0	0	110.5	W131 W135	D129-W131 PolarHBondContact O-N 3Å; D129-W135 HydrophobicContact CB-CH2 4.42Å
130	P	64.9	Low	67.1	Low	103 Å²	103	116.6 Å²	116.6	67%	0.669	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-58.6	134.2	174.2	-24.3	34.1	0	0	0	111.7	R132	P130-R132 WeakPolarHBondContact O-CG 3.42Å; P130-R132 PolarHBondContact O-N 2.92Å; P130-R132 VanDerWaalsContact O-N 3.16Å
131	W	71.3	Confident	66.5	Low	144 Å²	144	114.1 Å²	114.1	55%	0.545	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-57.9	120.3	177.5	179.8	-88.4	0	0	0	111	D129 W135 E136	D129-W131 PolarHBondContact O-N 3Å; W131-W135 AromaticContact CD2-CE3 3.87Å; W131-W135 HydrophobicContact CD2-CE3 3.87Å; W131-W135 AromaticContact CE3-CE3 3.67Å; W131-W135 HydrophobicContact CE3-CE3 3.67Å; W131-W135 HydrophobicContact CE3-CZ3 4.14Å; W131-W135 HydrophobicContact CG-CE3 4.38Å; W131-W135 HydrophobicContact CH2-CB 4.09Å; W131-W135 HydrophobicContact CH2-CE3 4.46Å; W131-W135 HydrophobicContact CZ2-CB 3.76Å; W131-W135 AromaticContact CZ3-CE3 3.99Å; W131-W135 HydrophobicContact CZ3-CE3 3.99Å; W131-E136 HydrophobicContact CZ2-CG 4.18Å
132	R	69.8	Low	65.8	Low	137 Å²	137	112.7 Å²	112.7	52%	0.517	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-90.9	132.2	-176.8	-58.7	-177.1	158.2	-86.6	-10.5	110.7	P130 E134 W135	P130-R132 WeakPolarHBondContact O-CG 3.42Å; P130-R132 PolarHBondContact O-N 2.92Å; P130-R132 VanDerWaalsContact O-N 3.16Å; R132-E134 VanDerWaalsContact CB-CD 3.49Å; R132-E134 HydrophobicContact CB-CG 4.06Å; R132-E134 WeakPolarHBondContact CD-OE1 3.1Å; R132-E134 IonicContact NH1-OE1 3.4Å; R132-E134 PolarHBondContact NH1-OE1 3.47Å; R132-E134 PolarHBondContact O-N 3.16Å; R132-W135 HydrophobicContact CB-CD2 3.77Å; R132-W135 HydrophobicContact CB-CE3 4.2Å; R132-W135 HydrophobicContact CB-CG 4.08Å; R132-W135 HydrophobicContact CB-CZ2 4.2Å; R132-W135 HydrophobicContact CG-CD2 4.28Å; R132-W135 HydrophobicContact CG-CH2 4.1Å; R132-W135 HydrophobicContact CG-CZ2 3.81Å; R132-W135 HydrophobicContact CG-CZ3 4.44Å; R132-W135 VanDerWaalsContact O-CB 3.27Å; R132-W135 WeakPolarHBondContact O-CB 3.11Å; R132-W135 PolarHBondContact O-N 3.22Å
133	Q	64.9	Low	65	Low	148 Å²	148	108.2 Å²	108.2	69%	0.692	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-66.4	-23.8	-174.2	-162.4	171.6	32.6	0	0	112.9	W135 E136	Q133-W135 PolarHBondContact O-N 3.1Å; Q133-E136 PolarHBondContact O-N 3.27Å
134	E	62.9	Low	64.2	Low	96 Å²	96	105.2 Å²	105.2	45%	0.449	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-61	-26.1	169.3	57.1	-90.8	-151	0	0	113.9	R132 E136 K137	R132-E134 VanDerWaalsContact CB-CD 3.49Å; R132-E134 HydrophobicContact CB-CG 4.06Å; R132-E134 WeakPolarHBondContact CD-OE1 3.1Å; R132-E134 IonicContact NH1-OE1 3.4Å; R132-E134 PolarHBondContact NH1-OE1 3.47Å; R132-E134 PolarHBondContact O-N 3.16Å; E134-E136 VanDerWaalsContact C-N 3.25Å; E134-E136 PolarHBondContact O-N 3.27Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 WeakPolarHBondContact O-CG 3.29Å; E134-K137 PolarHBondContact O-N 3.34Å
135	W	65.6	Low	63.6	Low	100 Å²	100	105.4 Å²	105.4	38%	0.379	55%	0.545	S	S	.	.	G	3₁₀ helix	trans	-70.3	-18.9	177.4	-59.6	-17.6	0	0	0	113.1	I108 D129 W131 R132 Q133 K137	I108-W135 WeakPolarHBondContact CD1-O 3.3Å; D129-W135 HydrophobicContact CB-CH2 4.42Å; W131-W135 AromaticContact CD2-CE3 3.87Å; W131-W135 HydrophobicContact CD2-CE3 3.87Å; W131-W135 AromaticContact CE3-CE3 3.67Å; W131-W135 HydrophobicContact CE3-CE3 3.67Å; W131-W135 HydrophobicContact CE3-CZ3 4.14Å; W131-W135 HydrophobicContact CG-CE3 4.38Å; W131-W135 HydrophobicContact CH2-CB 4.09Å; W131-W135 HydrophobicContact CH2-CE3 4.46Å; W131-W135 HydrophobicContact CZ2-CB 3.76Å; W131-W135 AromaticContact CZ3-CE3 3.99Å; W131-W135 HydrophobicContact CZ3-CE3 3.99Å; R132-W135 HydrophobicContact CB-CD2 3.77Å; R132-W135 HydrophobicContact CB-CE3 4.2Å; R132-W135 HydrophobicContact CB-CG 4.08Å; R132-W135 HydrophobicContact CB-CZ2 4.2Å; R132-W135 HydrophobicContact CG-CD2 4.28Å; R132-W135 HydrophobicContact CG-CH2 4.1Å; R132-W135 HydrophobicContact CG-CZ2 3.81Å; R132-W135 HydrophobicContact CG-CZ3 4.44Å; R132-W135 VanDerWaalsContact O-CB 3.27Å; R132-W135 WeakPolarHBondContact O-CB 3.11Å; R132-W135 PolarHBondContact O-N 3.22Å; Q133-W135 PolarHBondContact O-N 3.1Å; W135-K137 PolarHBondContact O-N 3.46Å
136	E	65.9	Low	63	Low	85 Å²	85	104.2 Å²	104.2	40%	0.397	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-70.4	-10.4	175.8	-54.9	-155.2	106.7	0	0	113.5	K112 W131 Q133 E134 G138	K112-E136 IonicContact NZ-OE1 2.64Å; K112-E136 PolarHBondContact NZ-OE1 3.36Å; W131-E136 HydrophobicContact CZ2-CG 4.18Å; Q133-E136 PolarHBondContact O-N 3.27Å; E134-E136 VanDerWaalsContact C-N 3.25Å; E134-E136 PolarHBondContact O-N 3.27Å; E136-G138 PolarHBondContact O-N 3.32Å
137	K	61.3	Low	62.5	Low	150 Å²	150	101.3 Å²	101.3	65%	0.652	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-78.7	1.4	-178.1	-60.7	175.4	-177	173.1	0	113.8	T105 E134 W135	T105-K137 WeakPolarHBondContact CG2-O 3.43Å; E134-K137 WeakPolarHBondContact O-CB 3.47Å; E134-K137 WeakPolarHBondContact O-CG 3.29Å; E134-K137 PolarHBondContact O-N 3.34Å; W135-K137 PolarHBondContact O-N 3.46Å
138	G	66.4	Low	62.3	Low	9 Å²	9	99.6 Å²	99.6	9%	0.093	52%	0.524	C	S	.	.			trans	113.7	160.6	174.4	0	0	0	0	0	113.7	R104 E136	R104-G138 CarbonylContact O-C 3.55Å; R104-G138 VanDerWaalsContact O-CA 3.25Å; R104-G138 WeakPolarHBondContact O-CA 3.5Å; E136-G138 PolarHBondContact O-N 3.32Å
139	V	64.9	Low	62	Low	64 Å²	64	100 Å²	100	39%	0.388	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	128.9	175.2	-171.7	0	0	0	0	108.7	F103 R104 F107 I108 V141	F103-V139 WeakPolarHBondContact CA-O 3.48Å; R104-V139 PolarHBondContact N-O 3.49Å; R104-V139 PolarHBondContact O-N 3.31Å; F107-V139 HydrophobicContact CB-CG2 4.01Å; I108-V139 HydrophobicContact CD1-CG2 4.13Å; I108-V139 HydrophobicContact CG1-CG2 3.6Å; V139-V141 PolarHBondContact O-N 3.33Å
140	Q	60.9	Low	61.6	Low	103 Å²	103	102.7 Å²	102.7	48%	0.481	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	111.4	169.5	-170.5	-170.7	36	0	0	108.2	E101 F103 P142	E101-Q140 PolarHBondContact OE2-NE2 3Å; F103-Q140 HydrophobicContact CD1-CB 4.1Å; F103-Q140 HydrophobicContact CE1-CB 3.7Å; F103-Q140 HydrophobicContact CE1-CG 3.99Å; F103-Q140 HydrophobicContact CZ-CB 4.18Å; F103-Q140 HydrophobicContact CZ-CG 3.93Å; Q140-P142 WeakPolarHBondContact O-CD 3.46Å
141	V	60.7	Low	61	Low	52 Å²	52	103.6 Å²	103.6	32%	0.315	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.2	-178.7	-176.1	0	0	0	0	109.7	V102 R104 F107 V139 V143	V102-V141 PolarHBondContact O-N 3.49Å; R104-V141 HydrophobicContact CB-CG2 4.28Å; R104-V141 HydrophobicContact CG-CG2 4.49Å; F107-V141 HydrophobicContact CE2-CG2 4.41Å; V139-V141 PolarHBondContact O-N 3.33Å; V141-V143 PolarHBondContact O-N 2.81Å
142	P	55.3	Low	60.4	Low	64 Å²	64	102.5 Å²	102.5	42%	0.416	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	119.5	175.5	-19.2	33.2	0	0	0	110.9	Q140 S144 I148	Q140-P142 WeakPolarHBondContact O-CD 3.46Å; P142-S144 PolarHBondContact O-N 3.42Å; P142-I148 HydrophobicContact CB-CD1 4.32Å; P142-I148 HydrophobicContact CB-CG1 4.11Å; P142-I148 HydrophobicContact CG-CD1 4.13Å; P142-I148 HydrophobicContact CG-CG1 4.04Å
143	V	57.4	Low	59.8	Low	85 Å²	85	102.5 Å²	102.5	52%	0.515	56%	0.556	S	S	.	*	S	Bend	trans	-69.6	-18	178.3	-179.8	0	0	0	0	112.2	S100 V102 V141	S100-V143 VanDerWaalsContact O-CG2 3.26Å; S100-V143 WeakPolarHBondContact O-CG2 3.28Å; V102-V143 HydrophobicContact CG2-CG2 4.43Å; V141-V143 PolarHBondContact O-N 2.81Å
144	S	56.4	Low	59.2	Low	54 Å²	54	106 Å²	106	38%	0.378	56%	0.563	S	S	.	*			trans	-119	110.5	177.2	-63.7	0	0	0	0	110.9	P142 Q146 S147	P142-S144 PolarHBondContact O-N 3.42Å; S144-Q146 PolarHBondContact O-N 2.87Å; S144-S147 PolarHBondContact O-N 2.78Å; S144-S147 PolarHBondContact O-OG 3.37Å
145	P	57.1	Low	59	Low	108 Å²	108	108.2 Å²	108.2	70%	0.701	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-60.4	-19.2	-180	-26.6	35.5	0	0	0	114.9
146	Q	56.3	Low	58	Low	198 Å²	198	111.2 Å²	111.2	93%	0.925	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-82.8	-10	-174.4	-63	168.3	2.3	0	0	113.8	S144	S144-Q146 PolarHBondContact O-N 2.87Å
147	S	57.9	Low	57.4	Low	64 Å²	64	111.6 Å²	111.6	45%	0.448	62%	0.623	S	S	.	*	G	3₁₀ helix	trans	-104.6	16	-178.7	62.8	0	0	0	0	113.9	S144	S144-S147 PolarHBondContact O-N 2.78Å; S144-S147 PolarHBondContact O-OG 3.37Å
148	I	58.7	Low	56.8	Low	102 Å²	102	113.7 Å²	113.7	52%	0.523	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-87.7	121.9	179.5	-55.4	179.4	0	0	0	108.9	P142	P142-I148 HydrophobicContact CB-CD1 4.32Å; P142-I148 HydrophobicContact CB-CG1 4.11Å; P142-I148 HydrophobicContact CG-CD1 4.13Å; P142-I148 HydrophobicContact CG-CG1 4.04Å
149	P	57.3	Low	55.8	Low	112 Å²	112	120.5 Å²	120.5	73%	0.727	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-61.8	141.3	175	-21.8	33.6	0	0	0	111.8
150	Q	57.2	Low	54.9	Low	179 Å²	179	120.9 Å²	120.9	84%	0.836	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-66.7	135	174.3	-75.3	-172.8	-16	0	0	111	V152	Q150-V152 PolarHBondContact O-N 2.86Å
151	P	53.5	Low	54.2	Low	121 Å²	121	125.4 Å²	125.4	79%	0.786	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-70.3	130.3	178.1	28.5	-33.9	0	0	0	110.9
152	V	59	Low	53.4	Low	122 Å²	122	128.9 Å²	128.9	74%	0.739	71%	0.71	S	S	*	*			trans	-108.8	95.8	178.8	-178.6	0	0	0	0	109.8	Q150	Q150-V152 PolarHBondContact O-N 2.86Å
153	T	55.5	Low	53.1	Low	136 Å²	136	132.6 Å²	132.6	83%	0.834	73%	0.731	S	S	*	*			trans	-74.5	134.5	172.4	49.8	0	0	0	0	111.1
154	R	52.4	Low	52.3	Low	221 Å²	221	135.8 Å²	135.8	83%	0.834	74%	0.742	S	S	*	*			trans	-121.5	124	167.3	-67.6	-176.1	177.9	-176.6	-0.4	109	L156	R154-L156 PolarHBondContact O-N 3.3Å
155	V	58.5	Low	51.9	Low	144 Å²	144	141.6 Å²	141.6	87%	0.873	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-71.5	116	172.5	-178.9	0	0	0	0	108	A157	V155-A157 PolarHBondContact O-N 2.89Å
156	L	46.2	Very low	51.4	Low	163 Å²	163	143.4 Å²	143.4	85%	0.853	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-70.7	123.3	165.2	-68.8	171.8	0	0	0	107.4	R154	R154-L156 PolarHBondContact O-N 3.3Å
157	A	53	Low	50.6	Low	93 Å²	93	142.9 Å²	142.9	77%	0.769	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-58	140.5	177.9	0	0	0	0	0	110.4	V155 K159	V155-A157 PolarHBondContact O-N 2.89Å; A157-K159 PolarHBondContact O-N 3.45Å
158	E	48.7	Very low	50	Low	194 Å²	194	143.9 Å²	143.9	91%	0.907	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-52.5	126.4	174.5	-73.2	-172.4	110.1	0	0	109.9	G160	E158-G160 PolarHBondContact O-N 3Å
159	K	45.5	Very low	49.4	Very low	152 Å²	152	149 Å²	149	66%	0.661	78%	0.776	S	S	*	*			trans	-58.3	113.6	163.2	-80.7	-175.6	170.1	-169.5	0	107.3	A157 K161 E162	A157-K159 PolarHBondContact O-N 3.45Å; K159-K161 PolarHBondContact O-N 2.93Å; K159-K161 VanDerWaalsContact O-N 3.14Å; K159-E162 HydrophobicContact CD-CG 4.48Å; K159-E162 WeakPolarHBondContact CD-OE1 3.43Å; K159-E162 WeakPolarHBondContact CE-OE1 3.24Å; K159-E162 IonicContact NZ-OE1 2.73Å; K159-E162 PolarHBondContact NZ-OE1 2.97Å; K159-E162 IonicContact NZ-OE2 3.02Å
160	G	46.4	Very low	49.1	Very low	71 Å²	71	152.9 Å²	152.9	73%	0.732	78%	0.781	S	S	*	*			trans	-50.3	123.9	169	0	0	0	0	0	108.9	E158 E162	E158-G160 PolarHBondContact O-N 3Å; G160-E162 PolarHBondContact O-N 2.87Å
161	K	46.2	Very low	48.6	Very low	199 Å²	199	151.6 Å²	151.6	87%	0.865	78%	0.78	S	S	*	*			trans	-36.5	107.1	-160.7	-69.5	177.6	179	176	0	112.7	K159 V163	K159-K161 PolarHBondContact O-N 2.93Å; K159-K161 VanDerWaalsContact O-N 3.14Å; K161-V163 PolarHBondContact O-N 3.12Å; K161-V163 VanDerWaalsContact O-N 3.1Å
162	E	44.1	Very low	47.9	Very low	125 Å²	125	153 Å²	153	58%	0.584	78%	0.779	S	S	*	*			trans	-55.1	119.9	164	-74.2	177.2	168.6	0	0	106.7	K159 G160 M164	K159-E162 HydrophobicContact CD-CG 4.48Å; K159-E162 WeakPolarHBondContact CD-OE1 3.43Å; K159-E162 WeakPolarHBondContact CE-OE1 3.24Å; K159-E162 IonicContact NZ-OE1 2.73Å; K159-E162 PolarHBondContact NZ-OE1 2.97Å; K159-E162 IonicContact NZ-OE2 3.02Å; G160-E162 PolarHBondContact O-N 2.87Å; E162-M164 PolarHBondContact O-N 3.13Å
163	V	47.6	Very low	46.7	Very low	142 Å²	142	157.6 Å²	157.6	86%	0.861	78%	0.783	S	S	*	*			trans	-69.3	89.8	175.2	179.2	0	0	0	0	106.2	K161 F165	K161-V163 PolarHBondContact O-N 3.12Å; K161-V163 VanDerWaalsContact O-N 3.1Å; V163-F165 PolarHBondContact O-N 3.04Å
164	M	40.4	Very low	45.9	Very low	151 Å²	151	157.1 Å²	157.1	74%	0.744	78%	0.78	S	S	*	*			trans	-44.2	115.4	175.5	-75.9	-79.2	-82.9	0	0	108	E162 I166	E162-M164 PolarHBondContact O-N 3.13Å; M164-I166 HydrophobicContact CB-CG1 4.45Å; M164-I166 PolarHBondContact O-N 3.15Å
165	F	48.7	Very low	45.4	Very low	177 Å²	177	152 Å²	152	78%	0.776	78%	0.778	S	S	*	*			trans	-69.8	86	172.8	-179.9	-100.1	0	0	0	107.6	V163 R167	V163-F165 PolarHBondContact O-N 3.04Å; F165-R167 VanDerWaalsContact C-N 3.27Å; F165-R167 HydrophobicContact CE1-CB 4.34Å; F165-R167 PolarHBondContact O-N 3.3Å
166	I	46.8	Very low	44.1	Very low	145 Å²	145	148.5 Å²	148.5	74%	0.744	77%	0.772	S	S	*	*			trans	-66.1	92.8	175.6	-62.1	170.8	0	0	0	106.3	M164 P168	M164-I166 HydrophobicContact CB-CG1 4.45Å; M164-I166 PolarHBondContact O-N 3.15Å; I166-P168 WeakPolarHBondContact O-CD 3.25Å
167	R	39.8	Very low	44.2	Very low	187 Å²	187	146.7 Å²	146.7	71%	0.706	77%	0.768	S	S	*	*			trans	-50.8	112.3	177.7	-171.5	179.9	89.2	170.3	4.8	108.3	F165 K169	F165-R167 VanDerWaalsContact C-N 3.27Å; F165-R167 HydrophobicContact CE1-CB 4.34Å; F165-R167 PolarHBondContact O-N 3.3Å; R167-K169 PolarHBondContact O-N 3.29Å
168	P	45	Very low	44	Very low	86 Å²	86	151.2 Å²	151.2	56%	0.558	77%	0.773	S	S	*	*			trans	-60.1	119.2	-176.7	-25.1	35.6	0	0	0	109.2	I166 K170	I166-P168 WeakPolarHBondContact O-CD 3.25Å; P168-K170 PolarHBondContact O-N 3.16Å
169	K	45.4	Very low	43.7	Very low	208 Å²	208	146.6 Å²	146.6	90%	0.904	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	30.9	-172.2	-65.4	-170.5	175.9	-174.4	0	114	R167	R167-K169 PolarHBondContact O-N 3.29Å
170	K	51.6	Low	43.8	Very low	194 Å²	194	148.3 Å²	148.3	84%	0.843	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.9	20.5	-170.2	-66.6	-167	175.2	-175.1	0	115.4	P168	P168-K170 PolarHBondContact O-N 3.16Å
171	L	46.2	Very low	44.1	Very low	153 Å²	153	148.6 Å²	148.6	80%	0.801	79%	0.786	S	S	*	*			trans	-133.7	70.9	172.5	-73.2	178.7	0	0	0	113.4
172	I	39.1	Very low	44.4	Very low	151 Å²	151	149.1 Å²	149.1	77%	0.774	78%	0.784	S	S	*	*			trans	-125.4	93.1	135.5	-59.1	-178.8	0	0	0	105.9	T174	I172-T174 HydrophobicContact CG2-CG2 4.5Å
173	R	33.3	Very low	45	Very low	218 Å²	218	146.7 Å²	146.7	82%	0.823	78%	0.777	S	S	*	*			trans	-114	97.3	168	-179.5	179.8	174	-179.5	-0.9	107
174	T	39.6	Very low	45.9	Very low	125 Å²	125	144 Å²	144	77%	0.767	76%	0.758	S	S	*	*			trans	-68.8	144.2	170.3	43.9	0	0	0	0	110.2	I172	I172-T174 HydrophobicContact CG2-CG2 4.5Å
175	S	40.6	Very low	47.3	Very low	113 Å²	113	141.1 Å²	141.1	79%	0.79	75%	0.745	S	S	*	*			trans	70.1	117.5	-172.8	-162.7	0	0	0	0	115.3
176	G	32.7	Very low	48.1	Very low	72 Å²	72	141.7 Å²	141.7	74%	0.742	74%	0.742	S	S	*	*			trans	158.5	96.2	179.8	0	0	0	0	0	110.8
177	T	47.8	Very low	49.3	Very low	125 Å²	125	138.8 Å²	138.8	77%	0.767	73%	0.731	S	S	*	*			trans	-66.2	157.2	176.2	-42.5	0	0	0	0	111.2
178	E	49.6	Very low	50.9	Low	187 Å²	187	134.6 Å²	134.6	87%	0.874	72%	0.722	S	S	*	*			trans	63.3	89	171.8	-76.3	148.7	-120.5	0	0	116.8
179	A	40.6	Very low	51.9	Low	97 Å²	97	133 Å²	133	80%	0.802	72%	0.716	S	S	*	*			trans	-134	128.6	155.5	0	0	0	0	0	109.4
180	L	48.9	Very low	52.9	Low	189 Å²	189	128.5 Å²	128.5	99%	0.99	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	138.1	-174.9	-69.3	163.8	0	0	0	112.1
181	G	52.1	Low	53.8	Low	76 Å²	76	122.6 Å²	122.6	78%	0.784	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.3	0.7	159.3	0	0	0	0	0	118	V183	G181-V183 PolarHBondContact O-N 3.05Å
182	Y	53	Low	55.4	Low	210 Å²	210	119.1 Å²	119.1	82%	0.824	68%	0.677	S	S	*	*			trans	-84.3	102	172.7	-143.5	-82.3	0	0	0	110.4
183	V	56.4	Low	57.5	Low	74 Å²	74	113.4 Å²	113.4	45%	0.448	65%	0.65	S	S	.	*			trans	-72.4	134.6	172	-170.3	0	0	0	0	108.6	G181 T187 L188	G181-V183 PolarHBondContact O-N 3.05Å; V183-T187 HydrophobicContact CG1-CG2 4.1Å; V183-L188 HydrophobicContact CB-CD1 4.47Å; V183-L188 HydrophobicContact CB-CD2 4.06Å; V183-L188 HydrophobicContact CB-CG 4.1Å; V183-L188 HydrophobicContact CG1-CD2 3.8Å; V183-L188 HydrophobicContact CG1-CG 3.8Å
184	D	66.2	Low	59.9	Low	85 Å²	85	106.5 Å²	106.5	46%	0.455	62%	0.624	S	S	.	*			trans	-61.6	140.9	175.8	-173.9	2.9	0	0	0	110	R186 T187 L188	D184-R186 PolarHBondContact O-N 2.86Å; D184-R186 PolarHBondContact OD1-N 3.43Å; D184-T187 PolarHBondContact O-N 2.89Å; D184-T187 VanDerWaalsContact O-N 3.1Å; D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.04Å
185	I	71	Confident	62.2	Low	91 Å²	91	101.2 Å²	101.2	47%	0.467	59%	0.59	S	S	.	*	H	α-helix	trans	-57.7	-32.9	176.4	-61.2	174.6	0	0	0	110.1	L188 A189 L927	I185-L188 PolarHBondContact O-N 3.47Å; I185-A189 WeakPolarHBondContact O-CB 3.48Å; I185-A189 PolarHBondContact O-N 3.42Å; I185-L927 HydrophobicContact CG2-CD2 4.13Å
186	R	65.7	Low	64.5	Low	189 Å²	189	101 Å²	101	71%	0.713	58%	0.58	S	S	*	*	H	α-helix	trans	-63.4	-54.9	172.5	-65.8	175	170.9	-174	-6.4	111.6	D184 L188 A189 D190	D184-R186 PolarHBondContact O-N 2.86Å; D184-R186 PolarHBondContact OD1-N 3.43Å; R186-L188 PolarHBondContact O-N 2.97Å; R186-L188 VanDerWaalsContact O-N 3.16Å; R186-A189 CarbonylContact O-C 3.59Å; R186-A189 WeakPolarHBondContact O-CA 3.24Å; R186-A189 WeakPolarHBondContact O-CB 3.35Å; R186-A189 PolarHBondContact O-N 3.4Å; R186-D190 VanDerWaalsContact C-OD2 3.32Å; R186-D190 PolarHBondContact O-N 3.05Å; R186-D190 VanDerWaalsContact O-OD2 3.1Å
187	T	71.6	Confident	67.2	Low	85 Å²	85	98.8 Å²	98.8	52%	0.521	55%	0.551	S	S	.	*	H	α-helix	trans	-60.2	-28.5	177.6	-51.1	0	0	0	0	113.2	V183 D184	V183-T187 HydrophobicContact CG1-CG2 4.1Å; D184-T187 PolarHBondContact O-N 2.89Å; D184-T187 VanDerWaalsContact O-N 3.1Å
188	L	72.9	Confident	69.2	Low	98 Å²	98	95.7 Å²	95.7	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-69.2	-44.9	169.7	-69.4	173.6	0	0	0	112	V183 D184 I185 R186 G191 M192	V183-L188 HydrophobicContact CB-CD1 4.47Å; V183-L188 HydrophobicContact CB-CD2 4.06Å; V183-L188 HydrophobicContact CB-CG 4.1Å; V183-L188 HydrophobicContact CG1-CD2 3.8Å; V183-L188 HydrophobicContact CG1-CG 3.8Å; D184-L188 WeakPolarHBondContact O-CG 3.42Å; D184-L188 PolarHBondContact O-N 3.04Å; I185-L188 PolarHBondContact O-N 3.47Å; R186-L188 PolarHBondContact O-N 2.97Å; R186-L188 VanDerWaalsContact O-N 3.16Å; L188-G191 PolarHBondContact O-N 3.34Å; L188-M192 WeakPolarHBondContact O-CG 3.36Å
189	A	66.6	Low	71	Confident	52 Å²	52	95.4 Å²	95.4	43%	0.43	53%	0.528	S	S	.	.	H	α-helix	trans	-67.3	-40.2	177.5	0	0	0	0	0	113	I185 R186 G191 M192	I185-A189 WeakPolarHBondContact O-CB 3.48Å; I185-A189 PolarHBondContact O-N 3.42Å; R186-A189 CarbonylContact O-C 3.59Å; R186-A189 WeakPolarHBondContact O-CA 3.24Å; R186-A189 WeakPolarHBondContact O-CB 3.35Å; R186-A189 PolarHBondContact O-N 3.4Å; A189-G191 PolarHBondContact O-N 3.34Å; A189-M192 WeakPolarHBondContact O-CB 3.17Å; A189-M192 PolarHBondContact O-N 3.04Å
190	D	66.4	Low	73.3	Confident	114 Å²	114	96.5 Å²	96.5	61%	0.61	52%	0.517	S	S	*	.	H	α-helix	trans	-59.3	-28.8	177.8	-62	-34.4	0	0	0	112.3	R186	R186-D190 VanDerWaalsContact C-OD2 3.32Å; R186-D190 PolarHBondContact O-N 3.05Å; R186-D190 VanDerWaalsContact O-OD2 3.1Å
191	G	68.9	Low	75.4	Confident	70 Å²	70	87.5 Å²	87.5	72%	0.722	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	3	176.4	0	0	0	0	0	115.3	L188 A189	L188-G191 PolarHBondContact O-N 3.34Å; A189-G191 PolarHBondContact O-N 3.34Å
192	M	80.7	Confident	77.2	Confident	80 Å²	80	85.8 Å²	85.8	39%	0.394	44%	0.444	S	S	.	.	S	Bend	trans	-83.1	142.1	171.3	-61.1	-166.1	68.1	0	0	110.4	L188 A189 R924	L188-M192 WeakPolarHBondContact O-CG 3.36Å; A189-M192 WeakPolarHBondContact O-CB 3.17Å; A189-M192 PolarHBondContact O-N 3.04Å; M192-R924 HydrophobicContact CE-CG 3.88Å
193	C	83.8	Confident	79	Confident	32 Å²	32	78.2 Å²	78.2	22%	0.216	43%	0.425	C	S	.	.			trans	-68.8	137.6	171	-167.8	0	0	0	0	110.1	E226 R227 E230	C193-E226 HydrophobicContact CB-CB 4.43Å; C193-E226 PolarHBondContact SG-O 3.09Å; C193-E226 VanDerWaalsContact SG-O 3.41Å; C193-R227 HydrophobicContact CB-CG 4.1Å; C193-E230 VanDerWaalsContact CA-OE2 3.25Å; C193-E230 WeakPolarHBondContact CA-OE2 3.4Å; C193-E230 PolarHBondContact SG-OE2 2.94Å
194	R	83.9	Confident	80.8	Confident	72 Å²	72	76 Å²	76	27%	0.272	41%	0.409	S	S	.	.			trans	-93.8	-6.4	-179.7	-70.4	172.7	68.5	-117.6	9.1	113.8	E230 L507 T508 E513	R194-E230 PolarHBondContact N-OE2 3.26Å; R194-L507 HydrophobicContact CB-CD1 4.49Å; R194-L507 HydrophobicContact CB-CD2 4.42Å; R194-L507 WeakPolarHBondContact O-CD2 3.25Å; R194-T508 PolarHBondContact NH1-O 2.93Å; R194-T508 PolarHBondContact NH2-O 3.46Å; R194-E513 IonicContact CZ-OE2 3.16Å; R194-E513 IonicContact NE-OE2 2.64Å; R194-E513 IonicContact NH2-OE1 3.1Å; R194-E513 PolarHBondContact NH2-OE1 2.72Å; R194-E513 IonicContact NH2-OE2 3.4Å; R194-E513 PolarHBondContact NH2-OE2 2.81Å
195	Y	87.7	Confident	82	Confident	15 Å²	15	72.3 Å²	72.3	6%	0.059	39%	0.388	C	S	.	.			trans	-89.6	109.7	173.3	-157.3	-87.6	0	0	0	109.7	L197 E226 M229 K497 L506 L507	Y195-L197 HydrophobicContact CD1-CD2 3.97Å; Y195-L197 HydrophobicContact CE1-CD2 4.06Å; Y195-E226 WeakPolarHBondContact O-CB 3.27Å; Y195-E226 WeakPolarHBondContact O-CG 3.47Å; Y195-M229 HydrophobicContact CD1-CB 3.74Å; Y195-M229 HydrophobicContact CD1-CG 4.21Å; Y195-M229 HydrophobicContact CD2-CB 3.85Å; Y195-M229 HydrophobicContact CE1-CB 4Å; Y195-M229 HydrophobicContact CE1-CE 4Å; Y195-M229 HydrophobicContact CE1-CG 4.1Å; Y195-M229 HydrophobicContact CE2-CB 4.11Å; Y195-M229 HydrophobicContact CE2-CE 4.04Å; Y195-M229 HydrophobicContact CG-CB 3.68Å; Y195-M229 WeakPolarHBondContact OH-CE 3.46Å; Y195-K497 PolarHBondContact OH-NZ 3.34Å; Y195-L506 HydrophobicContact CE2-CB 3.95Å; Y195-L506 HydrophobicContact CE2-CD1 4.19Å; Y195-L507 HydrophobicContact CD2-CD1 4.22Å; Y195-L507 HydrophobicContact CD2-CD2 4.02Å; Y195-L507 HydrophobicContact CD2-CG 4.02Å
196	D	87.8	Confident	83	Confident	107 Å²	107	73.5 Å²	73.5	57%	0.572	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-89.1	129.6	165.9	-71.3	-58.7	0	0	0	109	R924	D196-R924 IonicContact OD1-CZ 2.64Å; D196-R924 IonicContact OD1-NH1 3.76Å; D196-R924 PolarHBondContact OD1-NH1 3.24Å
197	L	89.2	Confident	84.2	Confident	27 Å²	27	68.7 Å²	68.7	14%	0.141	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.9	176.8	-57.6	-174.5	0	0	0	111.8	Y195 D201 V202 L205 E222 M225 E226	Y195-L197 HydrophobicContact CD1-CD2 3.97Å; Y195-L197 HydrophobicContact CE1-CD2 4.06Å; L197-D201 HydrophobicContact CB-CB 3.88Å; L197-D201 HydrophobicContact CD2-CB 3.97Å; L197-D201 HydrophobicContact CG-CB 4.36Å; L197-V202 HydrophobicContact CB-CG2 4.01Å; L197-V202 HydrophobicContact CD1-CG2 4.31Å; L197-L205 HydrophobicContact CD1-CD2 4.24Å; L197-E222 HydrophobicContact CD1-CB 3.91Å; L197-E222 HydrophobicContact CD1-CG 4.12Å; L197-M225 HydrophobicContact CD1-CB 4.41Å; L197-M225 HydrophobicContact CD1-CG 4.33Å; L197-M225 HydrophobicContact CD2-CB 4.37Å; L197-M225 HydrophobicContact CD2-CG 3.8Å; L197-E226 HydrophobicContact CD1-CG 4.36Å; L197-E226 HydrophobicContact CD2-CG 3.86Å; L197-E226 HydrophobicContact CG-CG 3.7Å
198	N	89.3	Confident	85.1	Confident	60 Å²	60	64.7 Å²	64.7	32%	0.321	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-88.4	173.2	170.4	82.8	-6.1	0	0	0	112.1	E200 D201 V202 K497	N198-E200 PolarHBondContact ND2-OE2 2.64Å; N198-E200 PolarHBondContact O-N 3.27Å; N198-E200 VanDerWaalsContact O-N 3.17Å; N198-E200 WeakPolarHBondContact OD1-CA 3.45Å; N198-E200 WeakPolarHBondContact OD1-CB 3.47Å; N198-E200 PolarHBondContact OD1-N 3.4Å; N198-D201 PolarHBondContact N-OD2 3.31Å; N198-D201 WeakPolarHBondContact O-CB 3.42Å; N198-D201 PolarHBondContact O-N 3.28Å; N198-D201 VanDerWaalsContact O-N 3.12Å; N198-D201 PolarHBondContact OD1-N 2.77Å; N198-D201 PolarHBondContact OD1-OD2 2.78Å; N198-V202 PolarHBondContact O-N 3.36Å; N198-V202 VanDerWaalsContact O-N 3.09Å; N198-K497 PolarHBondContact OD1-NZ 3.12Å
199	E	88.6	Confident	86	Confident	181 Å²	181	61.5 Å²	61.5	85%	0.846	34%	0.338	S	S	*	.	H	α-helix	trans	-60	-27.4	-179.6	-62.5	-176.5	169.2	0	0	113	A203	E199-A203 VanDerWaalsContact O-CB 3.24Å; E199-A203 WeakPolarHBondContact O-CB 3.25Å; E199-A203 PolarHBondContact O-N 3.26Å
200	E	88.9	Confident	87.1	Confident	120 Å²	120	65.4 Å²	65.4	56%	0.561	35%	0.348	S	S	*	.	H	α-helix	trans	-77.2	-35.7	177.1	-49.3	171.1	125.3	0	0	112.2	N198 W204	N198-E200 PolarHBondContact ND2-OE2 2.64Å; N198-E200 PolarHBondContact O-N 3.27Å; N198-E200 VanDerWaalsContact O-N 3.17Å; N198-E200 WeakPolarHBondContact OD1-CA 3.45Å; N198-E200 WeakPolarHBondContact OD1-CB 3.47Å; N198-E200 PolarHBondContact OD1-N 3.4Å; E200-W204 VanDerWaalsContact O-CB 3.32Å; E200-W204 WeakPolarHBondContact O-CB 3.43Å; E200-W204 PolarHBondContact O-N 3.06Å
201	D	92.4	Very high	88	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.7	-49.6	172.6	-66.9	-52.4	0	0	0	110.1	L197 N198 W204 L205 Y493 K497	L197-D201 HydrophobicContact CB-CB 3.88Å; L197-D201 HydrophobicContact CD2-CB 3.97Å; L197-D201 HydrophobicContact CG-CB 4.36Å; N198-D201 PolarHBondContact N-OD2 3.31Å; N198-D201 WeakPolarHBondContact O-CB 3.42Å; N198-D201 PolarHBondContact O-N 3.28Å; N198-D201 VanDerWaalsContact O-N 3.12Å; N198-D201 PolarHBondContact OD1-N 2.77Å; N198-D201 PolarHBondContact OD1-OD2 2.78Å; D201-W204 PolarHBondContact O-N 3.34Å; D201-L205 VanDerWaalsContact O-CB 3.23Å; D201-L205 WeakPolarHBondContact O-CB 3.31Å; D201-L205 PolarHBondContact O-N 3.41Å; D201-Y493 VanDerWaalsContact OD1-CE1 3.23Å; D201-Y493 WeakPolarHBondContact OD1-CE1 3.12Å; D201-Y493 PolarHBondContact OD1-OH 2.98Å; D201-Y493 VanDerWaalsContact OD1-OH 3.07Å; D201-K497 IonicContact OD1-NZ 3.59Å; D201-K497 PolarHBondContact OD1-NZ 3.45Å; D201-K497 IonicContact OD2-NZ 2.64Å; D201-K497 PolarHBondContact OD2-NZ 2.99Å
202	V	90.7	Very high	89	Confident	39 Å²	39	57.6 Å²	57.6	24%	0.236	29%	0.289	C	S	.	.	H	α-helix	trans	-65.2	-41.6	-179	177.7	0	0	0	0	110.7	L197 N198 L205 H206	L197-V202 HydrophobicContact CB-CG2 4.01Å; L197-V202 HydrophobicContact CD1-CG2 4.31Å; N198-V202 PolarHBondContact O-N 3.36Å; N198-V202 VanDerWaalsContact O-N 3.09Å; V202-L205 PolarHBondContact O-N 3Å; V202-H206 PolarHBondContact O-CD2 3.02Å; V202-H206 PolarHBondContact O-N 3.23Å
203	A	90.9	Very high	89.4	Confident	51 Å²	51	57.4 Å²	57.4	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.9	0	0	0	0	0	112.4	E199 I207	E199-A203 VanDerWaalsContact O-CB 3.24Å; E199-A203 WeakPolarHBondContact O-CB 3.25Å; E199-A203 PolarHBondContact O-N 3.26Å; A203-I207 WeakPolarHBondContact O-CD1 3.39Å; A203-I207 WeakPolarHBondContact O-CG1 3.45Å; A203-I207 PolarHBondContact O-N 3.33Å
204	W	93.9	Very high	89.6	Confident	29 Å²	29	63 Å²	63	11%	0.11	32%	0.323	C	S	.	.	H	α-helix	trans	-67.3	-40.4	174.8	-179.2	82.2	0	0	0	112.2	E200 D201 H206 I207 I208 M225 V490 Y493	E200-W204 VanDerWaalsContact O-CB 3.32Å; E200-W204 WeakPolarHBondContact O-CB 3.43Å; E200-W204 PolarHBondContact O-N 3.06Å; D201-W204 PolarHBondContact O-N 3.34Å; W204-H206 VanDerWaalsContact C-N 3.33Å; W204-H206 PolarHBondContact O-N 3.46Å; W204-I207 PolarHBondContact O-N 3.31Å; W204-I207 VanDerWaalsContact O-N 3.12Å; W204-I208 HydrophobicContact CD2-CG2 4.41Å; W204-I208 HydrophobicContact CE3-CG2 4.07Å; W204-I208 HydrophobicContact CH2-CB 4.14Å; W204-I208 HydrophobicContact CH2-CG1 4.05Å; W204-I208 HydrophobicContact CH2-CG2 3.9Å; W204-I208 HydrophobicContact CZ2-CB 4Å; W204-I208 HydrophobicContact CZ2-CD1 4.3Å; W204-I208 HydrophobicContact CZ2-CG1 3.95Å; W204-I208 HydrophobicContact CZ2-CG2 4.24Å; W204-I208 HydrophobicContact CZ3-CB 4.46Å; W204-I208 HydrophobicContact CZ3-CG2 3.81Å; W204-I208 PolarHBondContact O-N 2.82Å; W204-M225 HydrophobicContact CE3-CE 3.73Å; W204-M225 HydrophobicContact CE3-SD 4.41Å; W204-M225 HydrophobicContact CZ3-CE 3.59Å; W204-M225 HydrophobicContact CZ3-SD 3.83Å; W204-V490 HydrophobicContact CH2-CG2 4.16Å; W204-V490 HydrophobicContact CZ3-CG2 4.33Å; W204-Y493 HydrophobicContact CB-CD2 4.12Å; W204-Y493 HydrophobicContact CB-CE2 3.64Å; W204-Y493 AromaticContact CD1-CD2 3.47Å; W204-Y493 VanDerWaalsContact CD1-CD2 3.47Å; W204-Y493 AromaticContact CD1-CE2 3.78Å; W204-Y493 HydrophobicContact CD2-CD1 4.33Å; W204-Y493 AromaticContact CD2-CD2 3.44Å; W204-Y493 HydrophobicContact CD2-CD2 3.44Å; W204-Y493 VanDerWaalsContact CD2-CD2 3.44Å; W204-Y493 AromaticContact CD2-CE2 3.89Å; W204-Y493 HydrophobicContact CD2-CE2 3.89Å; W204-Y493 AromaticContact CD2-CG 3.69Å; W204-Y493 HydrophobicContact CD2-CG 3.69Å; W204-Y493 AromaticContact CE2-CD2 3.59Å; W204-Y493 AromaticContact CE2-CG 3.77Å; W204-Y493 HydrophobicContact CE3-CD1 4.19Å; W204-Y493 HydrophobicContact CE3-CD2 4.12Å; W204-Y493 HydrophobicContact CE3-CE2 4.49Å; W204-Y493 AromaticContact CE3-CG 3.95Å; W204-Y493 HydrophobicContact CE3-CG 3.95Å; W204-Y493 AromaticContact CG-CD2 3.39Å; W204-Y493 HydrophobicContact CG-CD2 3.39Å; W204-Y493 AromaticContact CG-CE2 3.45Å; W204-Y493 HydrophobicContact CG-CE2 3.45Å; W204-Y493 VanDerWaalsContact CG-CE2 3.45Å; W204-Y493 HydrophobicContact CG-CG 4.14Å; W204-Y493 HydrophobicContact CH2-CG 4.36Å; W204-Y493 HydrophobicContact CZ2-CD2 4.37Å; W204-Y493 HydrophobicContact CZ2-CG 4.13Å; W204-Y493 HydrophobicContact CZ3-CD1 4.49Å; W204-Y493 HydrophobicContact CZ3-CG 4.27Å; W204-Y493 AromaticContact NE1-CD2 3.57Å
205	L	91.9	Very high	89.5	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-62.1	-38.6	178.8	-174	61	0	0	0	111.6	L197 D201 V202 I208 N209 L220 E222 M225	L197-L205 HydrophobicContact CD1-CD2 4.24Å; D201-L205 VanDerWaalsContact O-CB 3.23Å; D201-L205 WeakPolarHBondContact O-CB 3.31Å; D201-L205 PolarHBondContact O-N 3.41Å; V202-L205 PolarHBondContact O-N 3Å; L205-I208 HydrophobicContact CD1-CG2 4.31Å; L205-I208 WeakPolarHBondContact O-CG2 3.23Å; L205-N209 WeakPolarHBondContact O-CB 3.38Å; L205-N209 PolarHBondContact O-N 3.45Å; L205-N209 VanDerWaalsContact O-N 3.07Å; L205-N209 PolarHBondContact O-ND2 2.94Å; L205-N209 VanDerWaalsContact O-ND2 3.12Å; L205-L220 HydrophobicContact CD1-CB 3.93Å; L205-L220 HydrophobicContact CD1-CD2 3.81Å; L205-L220 HydrophobicContact CD1-CG 3.88Å; L205-E222 HydrophobicContact CD2-CB 4.39Å; L205-E222 HydrophobicContact CD2-CG 3.78Å; L205-M225 HydrophobicContact CD1-CB 4.29Å; L205-M225 HydrophobicContact CD1-CG 4.4Å; L205-M225 HydrophobicContact CD2-CB 4.26Å
206	H	90.7	Very high	89.3	Confident	116 Å²	116	65.5 Å²	65.5	54%	0.537	36%	0.355	S	S	.	.	H	α-helix	trans	-62.1	-48.3	170.5	-74.4	-52.6	0	0	0	112.2	V202 W204 N209 E210	V202-H206 PolarHBondContact O-CD2 3.02Å; V202-H206 PolarHBondContact O-N 3.23Å; W204-H206 VanDerWaalsContact C-N 3.33Å; W204-H206 PolarHBondContact O-N 3.46Å; H206-N209 PolarHBondContact O-N 2.85Å; H206-E210 PolarHBondContact O-N 3.47Å
207	I	91.8	Very high	89.3	Confident	88 Å²	88	62.5 Å²	62.5	45%	0.451	34%	0.34	S	S	.	.	H	α-helix	trans	-62.5	-46.3	-178.6	-66	164.3	0	0	0	111.4	A203 W204 N209 E210 E211	A203-I207 WeakPolarHBondContact O-CD1 3.39Å; A203-I207 WeakPolarHBondContact O-CG1 3.45Å; A203-I207 PolarHBondContact O-N 3.33Å; W204-I207 PolarHBondContact O-N 3.31Å; W204-I207 VanDerWaalsContact O-N 3.12Å; I207-N209 VanDerWaalsContact C-N 3.32Å; I207-N209 PolarHBondContact O-N 3.48Å; I207-E210 PolarHBondContact O-N 2.79Å; I207-E211 PolarHBondContact O-N 3Å
208	I	90.2	Very high	89.1	Confident	1 Å²	1	66 Å²	66	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-68.9	-32.2	-179.9	-162.8	63	0	0	0	111.5	W204 L205 E211 F212 F489	W204-I208 HydrophobicContact CD2-CG2 4.41Å; W204-I208 HydrophobicContact CE3-CG2 4.07Å; W204-I208 HydrophobicContact CH2-CB 4.14Å; W204-I208 HydrophobicContact CH2-CG1 4.05Å; W204-I208 HydrophobicContact CH2-CG2 3.9Å; W204-I208 HydrophobicContact CZ2-CB 4Å; W204-I208 HydrophobicContact CZ2-CD1 4.3Å; W204-I208 HydrophobicContact CZ2-CG1 3.95Å; W204-I208 HydrophobicContact CZ2-CG2 4.24Å; W204-I208 HydrophobicContact CZ3-CB 4.46Å; W204-I208 HydrophobicContact CZ3-CG2 3.81Å; W204-I208 PolarHBondContact O-N 2.82Å; L205-I208 HydrophobicContact CD1-CG2 4.31Å; L205-I208 WeakPolarHBondContact O-CG2 3.23Å; I208-E211 CarbonylContact O-C 3.57Å; I208-E211 PolarHBondContact O-N 3.19Å; I208-F212 HydrophobicContact CD1-CD1 4.28Å; I208-F212 HydrophobicContact CD1-CE1 3.82Å; I208-F212 HydrophobicContact CD1-CZ 4.48Å; I208-F212 HydrophobicContact CG1-CD1 3.99Å; I208-F212 HydrophobicContact CG1-CE1 3.5Å; I208-F212 VanDerWaalsContact CG1-CE1 3.5Å; I208-F212 HydrophobicContact CG1-CE2 4.44Å; I208-F212 HydrophobicContact CG1-CZ 3.76Å; I208-F212 WeakPolarHBondContact O-CB 3.36Å; I208-F212 WeakPolarHBondContact O-CD1 3.48Å; I208-F212 WeakPolarHBondContact O-CG 3.39Å; I208-F212 PolarHBondContact O-N 2.99Å; I208-F489 HydrophobicContact CD1-CB 4.38Å; I208-F489 HydrophobicContact CD1-CD1 4.18Å; I208-F489 HydrophobicContact CD1-CG 4.26Å; I208-F489 HydrophobicContact CG1-CB 4.48Å
209	N	92.1	Very high	89	Confident	31 Å²	31	67.8 Å²	67.8	17%	0.166	38%	0.38	C	S	.	.	H	α-helix	trans	-69.2	-33.1	174.5	-79.7	-27.5	0	0	0	113.2	L205 H206 I207 F212 A213 P219 L220	L205-N209 WeakPolarHBondContact O-CB 3.38Å; L205-N209 PolarHBondContact O-N 3.45Å; L205-N209 VanDerWaalsContact O-N 3.07Å; L205-N209 PolarHBondContact O-ND2 2.94Å; L205-N209 VanDerWaalsContact O-ND2 3.12Å; H206-N209 PolarHBondContact O-N 2.85Å; I207-N209 VanDerWaalsContact C-N 3.32Å; I207-N209 PolarHBondContact O-N 3.48Å; N209-F212 PolarHBondContact O-N 3.43Å; N209-A213 WeakPolarHBondContact O-CB 3.42Å; N209-A213 PolarHBondContact O-N 3.35Å; N209-P219 HydrophobicContact CB-CB 4.36Å; N209-P219 VanDerWaalsContact OD1-CA 3.29Å; N209-P219 WeakPolarHBondContact OD1-CA 3.31Å; N209-L220 PolarHBondContact ND2-O 2.62Å; N209-L220 PolarHBondContact OD1-N 3.24Å
210	E	89.3	Confident	89.2	Confident	134 Å²	134	59.7 Å²	59.7	63%	0.626	34%	0.342	S	S	*	.	H	α-helix	trans	-65.2	-37.7	169.1	-72.5	-175.8	-177.1	0	0	112	H206 I207 Q214	H206-E210 PolarHBondContact O-N 3.47Å; I207-E210 PolarHBondContact O-N 2.79Å; E210-Q214 WeakPolarHBondContact O-CG 3.47Å; E210-Q214 PolarHBondContact O-N 3.22Å; E210-Q214 PolarHBondContact O-NE2 2.91Å
211	E	85.6	Confident	89.3	Confident	20 Å²	20	57.9 Å²	57.9	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-73.9	-33.1	173.7	-67.2	-161.4	145.3	0	0	112.4	L40 R43 I207 I208 Q214 M215	L40-E211 HydrophobicContact CD2-CB 4.48Å; L40-E211 WeakPolarHBondContact CD2-OE2 3.39Å; L40-E211 WeakPolarHBondContact CG-OE2 3.22Å; R43-E211 IonicContact NH1-OE1 2.7Å; R43-E211 PolarHBondContact NH1-OE1 3.05Å; I207-E211 PolarHBondContact O-N 3Å; I208-E211 CarbonylContact O-C 3.57Å; I208-E211 PolarHBondContact O-N 3.19Å; E211-Q214 WeakPolarHBondContact O-CB 3.36Å; E211-Q214 PolarHBondContact O-N 2.9Å; E211-M215 WeakPolarHBondContact O-CG 3.34Å; E211-M215 PolarHBondContact O-N 2.99Å
212	F	90.3	Very high	89.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-43	173.2	-76.2	5.7	0	0	0	111.9	I208 N209 Q214 M215 A216 V217 P218 L220 V486 F489	I208-F212 HydrophobicContact CD1-CD1 4.28Å; I208-F212 HydrophobicContact CD1-CE1 3.82Å; I208-F212 HydrophobicContact CD1-CZ 4.48Å; I208-F212 HydrophobicContact CG1-CD1 3.99Å; I208-F212 HydrophobicContact CG1-CE1 3.5Å; I208-F212 VanDerWaalsContact CG1-CE1 3.5Å; I208-F212 HydrophobicContact CG1-CE2 4.44Å; I208-F212 HydrophobicContact CG1-CZ 3.76Å; I208-F212 WeakPolarHBondContact O-CB 3.36Å; I208-F212 WeakPolarHBondContact O-CD1 3.48Å; I208-F212 WeakPolarHBondContact O-CG 3.39Å; I208-F212 PolarHBondContact O-N 2.99Å; N209-F212 PolarHBondContact O-N 3.43Å; F212-Q214 VanDerWaalsContact C-N 3.28Å; F212-Q214 PolarHBondContact O-N 2.83Å; F212-M215 HydrophobicContact CD1-CE 3.72Å; F212-M215 HydrophobicContact CE1-CE 4.21Å; F212-M215 CarbonylContact O-C 3.56Å; F212-M215 WeakPolarHBondContact O-CA 3.49Å; F212-M215 PolarHBondContact O-N 3.44Å; F212-A216 PolarHBondContact O-N 2.64Å; F212-V217 CarbonylContact C-O 3.49Å; F212-V217 HydrophobicContact CB-CB 3.99Å; F212-V217 HydrophobicContact CB-CG1 4.34Å; F212-V217 HydrophobicContact CD1-CG1 4.48Å; F212-V217 HydrophobicContact CD2-CG1 3.98Å; F212-V217 HydrophobicContact CE2-CG1 4.39Å; F212-V217 HydrophobicContact CG-CB 4.12Å; F212-V217 HydrophobicContact CG-CG1 4.03Å; F212-V217 PolarHBondContact O-N 2.98Å; F212-P218 WeakPolarHBondContact CD2-O 3.44Å; F212-L220 HydrophobicContact CE2-CB 4.18Å; F212-V486 HydrophobicContact CE2-CG1 3.94Å; F212-V486 HydrophobicContact CE2-CG2 4.18Å; F212-V486 HydrophobicContact CZ-CG1 4.19Å; F212-V486 HydrophobicContact CZ-CG2 4.34Å; F212-F489 HydrophobicContact CE1-CB 4.39Å; F212-F489 AromaticContact CE1-CD2 3.41Å; F212-F489 HydrophobicContact CE1-CD2 3.41Å; F212-F489 VanDerWaalsContact CE1-CD2 3.41Å; F212-F489 AromaticContact CE1-CE2 3.81Å; F212-F489 HydrophobicContact CE1-CE2 3.81Å; F212-F489 AromaticContact CE1-CG 3.98Å; F212-F489 HydrophobicContact CE1-CG 3.98Å; F212-F489 HydrophobicContact CZ-CB 4.23Å; F212-F489 AromaticContact CZ-CD2 3.73Å; F212-F489 HydrophobicContact CZ-CD2 3.73Å; F212-F489 HydrophobicContact CZ-CE2 4.49Å; F212-F489 HydrophobicContact CZ-CG 4.25Å
213	A	87.8	Confident	89.1	Confident	77 Å²	77	63.2 Å²	63.2	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-58.7	-38.7	173.2	0	0	0	0	0	112.2	N209 M215 A216	N209-A213 WeakPolarHBondContact O-CB 3.42Å; N209-A213 PolarHBondContact O-N 3.35Å; A213-M215 VanDerWaalsContact C-N 3.33Å; A213-A216 PolarHBondContact O-N 2.94Å
214	Q	88	Confident	89.1	Confident	148 Å²	148	61.8 Å²	61.8	69%	0.692	35%	0.348	S	S	*	.	H	α-helix	trans	-68.9	-28	173.8	-71.4	166.6	77.2	0	0	113.3	E210 E211 F212	E210-Q214 WeakPolarHBondContact O-CG 3.47Å; E210-Q214 PolarHBondContact O-N 3.22Å; E210-Q214 PolarHBondContact O-NE2 2.91Å; E211-Q214 WeakPolarHBondContact O-CB 3.36Å; E211-Q214 PolarHBondContact O-N 2.9Å; F212-Q214 VanDerWaalsContact C-N 3.28Å; F212-Q214 PolarHBondContact O-N 2.83Å
215	M	82.3	Confident	89.1	Confident	45 Å²	45	60.4 Å²	60.4	22%	0.222	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	2.4	177.3	-67.4	-172.2	-66.7	0	0	114	L40 E211 F212 A213 V217 F489	L40-M215 HydrophobicContact CD2-CE 3.55Å; L40-M215 HydrophobicContact CD2-SD 3.94Å; E211-M215 WeakPolarHBondContact O-CG 3.34Å; E211-M215 PolarHBondContact O-N 2.99Å; F212-M215 HydrophobicContact CD1-CE 3.72Å; F212-M215 HydrophobicContact CE1-CE 4.21Å; F212-M215 CarbonylContact O-C 3.56Å; F212-M215 WeakPolarHBondContact O-CA 3.49Å; F212-M215 PolarHBondContact O-N 3.44Å; A213-M215 VanDerWaalsContact C-N 3.33Å; M215-V217 HydrophobicContact CB-CG2 3.96Å; M215-V217 PolarHBondContact O-N 2.76Å; M215-F489 HydrophobicContact CE-CE2 4.17Å; M215-F489 HydrophobicContact CE-CZ 4.02Å
216	A	84.4	Confident	89.1	Confident	95 Å²	95	60.4 Å²	60.4	79%	0.785	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	30.3	-172	0	0	0	0	0	114.3	F212 A213	F212-A216 PolarHBondContact O-N 2.64Å; A213-A216 PolarHBondContact O-N 2.94Å
217	V	86.6	Confident	89.1	Confident	44 Å²	44	60.6 Å²	60.6	27%	0.267	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-91	141.2	171.8	178.3	0	0	0	0	108.1	F212 M215 V486	F212-V217 CarbonylContact C-O 3.49Å; F212-V217 HydrophobicContact CB-CB 3.99Å; F212-V217 HydrophobicContact CB-CG1 4.34Å; F212-V217 HydrophobicContact CD1-CG1 4.48Å; F212-V217 HydrophobicContact CD2-CG1 3.98Å; F212-V217 HydrophobicContact CE2-CG1 4.39Å; F212-V217 HydrophobicContact CG-CB 4.12Å; F212-V217 HydrophobicContact CG-CG1 4.03Å; F212-V217 PolarHBondContact O-N 2.98Å; M215-V217 HydrophobicContact CB-CG2 3.96Å; M215-V217 PolarHBondContact O-N 2.76Å; V217-V486 HydrophobicContact CG1-CG2 3.75Å
218	P	85.7	Confident	89.1	Confident	100 Å²	100	56.5 Å²	56.5	65%	0.649	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-57.8	142.3	174	-24.1	34.6	0	0	0	111.7	F212	F212-P218 WeakPolarHBondContact CD2-O 3.44Å
219	P	88.1	Confident	89.2	Confident	98 Å²	98	56.4 Å²	56.4	64%	0.636	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-65.2	140.3	175.2	28.6	-34.5	0	0	0	110.6	N209	N209-P219 HydrophobicContact CB-CB 4.36Å; N209-P219 VanDerWaalsContact OD1-CA 3.29Å; N209-P219 WeakPolarHBondContact OD1-CA 3.31Å
220	L	91.1	Very high	89.2	Confident	12 Å²	12	56 Å²	56	6%	0.063	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-78.5	127.3	172.9	-178.5	64.4	0	0	0	109.5	L205 N209 F212 T224 M225 V486 V490	L205-L220 HydrophobicContact CD1-CB 3.93Å; L205-L220 HydrophobicContact CD1-CD2 3.81Å; L205-L220 HydrophobicContact CD1-CG 3.88Å; N209-L220 PolarHBondContact ND2-O 2.62Å; N209-L220 PolarHBondContact OD1-N 3.24Å; F212-L220 HydrophobicContact CE2-CB 4.18Å; L220-T224 HydrophobicContact CD1-CG2 3.53Å; L220-M225 HydrophobicContact CD2-CB 4.15Å; L220-M225 HydrophobicContact CD2-SD 3.91Å; L220-M225 HydrophobicContact CG-CB 4.36Å; L220-V486 HydrophobicContact CD1-CG1 4.24Å; L220-V490 HydrophobicContact CD2-CG2 3.64Å
221	D	91.4	Very high	89.3	Confident	81 Å²	81	52 Å²	52	43%	0.433	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-83.9	159.1	175.1	66.7	-77.6	0	0	0	112.4	N223 T224 M225	D221-N223 VanDerWaalsContact C-N 3.34Å; D221-N223 PolarHBondContact O-N 3.35Å; D221-N223 PolarHBondContact OD2-N 3.08Å; D221-T224 VanDerWaalsContact CG-OG1 3.26Å; D221-T224 PolarHBondContact O-N 2.85Å; D221-T224 WeakPolarHBondContact OD1-CB 3.16Å; D221-T224 PolarHBondContact OD1-OG1 3.29Å; D221-T224 PolarHBondContact OD2-N 3.44Å; D221-T224 PolarHBondContact OD2-OG1 3.42Å; D221-M225 PolarHBondContact O-N 2.68Å
222	E	89.6	Confident	89.6	Confident	68 Å²	68	51 Å²	51	32%	0.318	29%	0.29	S	S	.	.	H	α-helix	trans	-56.6	-44.6	-178.8	-68.4	161.6	177.3	0	0	111.8	L197 L205 M225 E226	L197-E222 HydrophobicContact CD1-CB 3.91Å; L197-E222 HydrophobicContact CD1-CG 4.12Å; L205-E222 HydrophobicContact CD2-CB 4.39Å; L205-E222 HydrophobicContact CD2-CG 3.78Å; E222-M225 WeakPolarHBondContact O-CB 3.26Å; E222-M225 PolarHBondContact O-N 3.3Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 3.47Å
223	N	90	Very high	89.6	Confident	83 Å²	83	51.4 Å²	51.4	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-74	-30.4	-176.6	-58.3	124.6	0	0	0	113.2	D221 E226 R227	D221-N223 VanDerWaalsContact C-N 3.34Å; D221-N223 PolarHBondContact O-N 3.35Å; D221-N223 PolarHBondContact OD2-N 3.08Å; N223-E226 WeakPolarHBondContact CA-OE2 3.33Å; N223-E226 PolarHBondContact ND2-OE2 3.3Å; N223-R227 WeakPolarHBondContact O-CB 3.42Å; N223-R227 VanDerWaalsContact O-CG 3.25Å; N223-R227 WeakPolarHBondContact O-CG 3.39Å; N223-R227 PolarHBondContact O-N 3.27Å; N223-R227 VanDerWaalsContact O-N 3.13Å
224	T	91.1	Very high	89.6	Confident	22 Å²	22	52 Å²	52	14%	0.135	28%	0.281	C	S	.	.	H	α-helix	trans	-70	-37.9	169.4	-58.8	0	0	0	0	110.9	L220 D221 R227 V228 L482	L220-T224 HydrophobicContact CD1-CG2 3.53Å; D221-T224 VanDerWaalsContact CG-OG1 3.26Å; D221-T224 PolarHBondContact O-N 2.85Å; D221-T224 WeakPolarHBondContact OD1-CB 3.16Å; D221-T224 PolarHBondContact OD1-OG1 3.29Å; D221-T224 PolarHBondContact OD2-N 3.44Å; D221-T224 PolarHBondContact OD2-OG1 3.42Å; T224-R227 PolarHBondContact O-N 3.45Å; T224-V228 HydrophobicContact CG2-CG2 4.3Å; T224-V228 VanDerWaalsContact O-CG2 3.24Å; T224-V228 WeakPolarHBondContact O-CG2 3.49Å; T224-V228 PolarHBondContact O-N 2.69Å; T224-L482 HydrophobicContact CG2-CD1 3.54Å; T224-L482 HydrophobicContact CG2-CD2 3.78Å; T224-L482 HydrophobicContact CG2-CG 4.31Å
225	M	92.4	Very high	89.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-48.5	172.3	-178.5	67	-177.9	0	0	111.9	L197 W204 L205 L220 D221 E222 R227 V228 M229 V490 Y493	L197-M225 HydrophobicContact CD1-CB 4.41Å; L197-M225 HydrophobicContact CD1-CG 4.33Å; L197-M225 HydrophobicContact CD2-CB 4.37Å; L197-M225 HydrophobicContact CD2-CG 3.8Å; W204-M225 HydrophobicContact CE3-CE 3.73Å; W204-M225 HydrophobicContact CE3-SD 4.41Å; W204-M225 HydrophobicContact CZ3-CE 3.59Å; W204-M225 HydrophobicContact CZ3-SD 3.83Å; L205-M225 HydrophobicContact CD1-CB 4.29Å; L205-M225 HydrophobicContact CD1-CG 4.4Å; L205-M225 HydrophobicContact CD2-CB 4.26Å; L220-M225 HydrophobicContact CD2-CB 4.15Å; L220-M225 HydrophobicContact CD2-SD 3.91Å; L220-M225 HydrophobicContact CG-CB 4.36Å; D221-M225 PolarHBondContact O-N 2.68Å; E222-M225 WeakPolarHBondContact O-CB 3.26Å; E222-M225 PolarHBondContact O-N 3.3Å; M225-R227 VanDerWaalsContact C-N 3.31Å; M225-R227 PolarHBondContact O-N 3.3Å; M225-V228 PolarHBondContact O-N 3.34Å; M225-M229 HydrophobicContact CE-CG 4.05Å; M225-M229 HydrophobicContact CE-SD 4.09Å; M225-M229 VanDerWaalsContact O-CG 3.31Å; M225-M229 WeakPolarHBondContact O-CG 2.98Å; M225-M229 PolarHBondContact O-N 3.38Å; M225-M229 HydrophobicContact SD-CG 4.5Å; M225-V490 HydrophobicContact CE-CG1 3.89Å; M225-V490 HydrophobicContact SD-CB 4.42Å; M225-V490 HydrophobicContact SD-CG1 3.56Å; M225-V490 VanDerWaalsContact SD-CG1 3.56Å; M225-V490 HydrophobicContact SD-CG2 3.92Å; M225-Y493 HydrophobicContact CE-CD1 3.7Å; M225-Y493 HydrophobicContact CE-CE1 3.88Å
226	E	92.4	Very high	89.9	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.028	24%	0.244	C	C	.	.	H	α-helix	trans	-50.7	-51	173.4	-70.3	176.8	146.5	0	0	110.7	C193 Y195 L197 E222 N223 M229 E230 R924	C193-E226 HydrophobicContact CB-CB 4.43Å; C193-E226 PolarHBondContact SG-O 3.09Å; C193-E226 VanDerWaalsContact SG-O 3.41Å; Y195-E226 WeakPolarHBondContact O-CB 3.27Å; Y195-E226 WeakPolarHBondContact O-CG 3.47Å; L197-E226 HydrophobicContact CD1-CG 4.36Å; L197-E226 HydrophobicContact CD2-CG 3.86Å; L197-E226 HydrophobicContact CG-CG 3.7Å; E222-E226 WeakPolarHBondContact O-CG 3.45Å; E222-E226 PolarHBondContact O-N 3.47Å; N223-E226 WeakPolarHBondContact CA-OE2 3.33Å; N223-E226 PolarHBondContact ND2-OE2 3.3Å; E226-M229 PolarHBondContact O-N 3.49Å; E226-E230 PolarHBondContact O-N 2.95Å; E226-R924 IonicContact OE1-NH1 2.9Å; E226-R924 PolarHBondContact OE1-NH1 3.5Å; E226-R924 IonicContact OE1-NH2 2.67Å
227	R	90.9	Very high	90	Very high	120 Å²	120	40.6 Å²	40.6	45%	0.453	21%	0.213	S	C	.	.	H	α-helix	trans	-68.6	-37.5	-177.1	-71.1	174.6	66.9	-136.2	-4.3	113.9	C193 N223 T224 M225 M229 E230 E231 L480	C193-R227 HydrophobicContact CB-CG 4.1Å; N223-R227 WeakPolarHBondContact O-CB 3.42Å; N223-R227 VanDerWaalsContact O-CG 3.25Å; N223-R227 WeakPolarHBondContact O-CG 3.39Å; N223-R227 PolarHBondContact O-N 3.27Å; N223-R227 VanDerWaalsContact O-N 3.13Å; T224-R227 PolarHBondContact O-N 3.45Å; M225-R227 VanDerWaalsContact C-N 3.31Å; M225-R227 PolarHBondContact O-N 3.3Å; R227-M229 VanDerWaalsContact C-N 3.3Å; R227-E230 PolarHBondContact O-N 2.93Å; R227-E231 VanDerWaalsContact O-CG 3.31Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.89Å; R227-L480 HydrophobicContact CB-CD2 4.26Å
228	V	92	Very high	89.9	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-64	-38.4	174.1	173.6	0	0	0	0	110.5	T224 M225 F232 L480 L482 V490	T224-V228 HydrophobicContact CG2-CG2 4.3Å; T224-V228 VanDerWaalsContact O-CG2 3.24Å; T224-V228 WeakPolarHBondContact O-CG2 3.49Å; T224-V228 PolarHBondContact O-N 2.69Å; M225-V228 PolarHBondContact O-N 3.34Å; V228-F232 HydrophobicContact CG1-CD2 3.78Å; V228-F232 HydrophobicContact CG1-CE2 3.28Å; V228-F232 HydrophobicContact CG1-CZ 3.79Å; V228-F232 VanDerWaalsContact O-CD2 3.23Å; V228-F232 WeakPolarHBondContact O-CD2 3.32Å; V228-F232 WeakPolarHBondContact O-CG 3.44Å; V228-F232 PolarHBondContact O-N 2.73Å; V228-L480 HydrophobicContact CB-CD1 4.12Å; V228-L480 HydrophobicContact CG2-CD1 3.46Å; V228-L480 VanDerWaalsContact CG2-CD1 3.46Å; V228-L482 HydrophobicContact CG2-CD1 3.5Å; V228-V490 HydrophobicContact CB-CG1 4.23Å; V228-V490 HydrophobicContact CG1-CB 3.78Å; V228-V490 HydrophobicContact CG1-CG1 3.5Å; V228-V490 HydrophobicContact CG1-CG2 4.32Å
229	M	93	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.1	-41.1	176.2	-66.6	-71.2	-77.4	0	0	112.5	Y195 M225 E226 R227 E233 V490 Y493 W494 K497 L506	Y195-M229 HydrophobicContact CD1-CB 3.74Å; Y195-M229 HydrophobicContact CD1-CG 4.21Å; Y195-M229 HydrophobicContact CD2-CB 3.85Å; Y195-M229 HydrophobicContact CE1-CB 4Å; Y195-M229 HydrophobicContact CE1-CE 4Å; Y195-M229 HydrophobicContact CE1-CG 4.1Å; Y195-M229 HydrophobicContact CE2-CB 4.11Å; Y195-M229 HydrophobicContact CE2-CE 4.04Å; Y195-M229 HydrophobicContact CG-CB 3.68Å; Y195-M229 WeakPolarHBondContact OH-CE 3.46Å; M225-M229 HydrophobicContact CE-CG 4.05Å; M225-M229 HydrophobicContact CE-SD 4.09Å; M225-M229 VanDerWaalsContact O-CG 3.31Å; M225-M229 WeakPolarHBondContact O-CG 2.98Å; M225-M229 PolarHBondContact O-N 3.38Å; M225-M229 HydrophobicContact SD-CG 4.5Å; E226-M229 PolarHBondContact O-N 3.49Å; R227-M229 VanDerWaalsContact C-N 3.3Å; M229-E233 WeakPolarHBondContact O-CG 3.35Å; M229-E233 PolarHBondContact O-N 2.64Å; M229-E233 VanDerWaalsContact O-N 3.16Å; M229-V490 HydrophobicContact CG-CG1 4.5Å; M229-V490 HydrophobicContact SD-CG1 4.08Å; M229-Y493 HydrophobicContact CE-CD1 4.44Å; M229-Y493 HydrophobicContact CE-CE1 4.25Å; M229-Y493 HydrophobicContact SD-CD1 4.41Å; M229-W494 HydrophobicContact CE-CB 4.48Å; M229-W494 HydrophobicContact SD-CB 3.87Å; M229-W494 HydrophobicContact SD-CG 4.37Å; M229-K497 HydrophobicContact CE-CD 4.08Å; M229-L506 HydrophobicContact CE-CD1 3.91Å
230	E	91.7	Very high	89.7	Confident	21 Å²	21	36.2 Å²	36.2	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-66.2	-42.4	174.1	-178	168.6	-168.6	0	0	112.5	C193 R194 E226 R227 F232 E233 H234 L507 K510	C193-E230 VanDerWaalsContact CA-OE2 3.25Å; C193-E230 WeakPolarHBondContact CA-OE2 3.4Å; C193-E230 PolarHBondContact SG-OE2 2.94Å; R194-E230 PolarHBondContact N-OE2 3.26Å; E226-E230 PolarHBondContact O-N 2.95Å; R227-E230 PolarHBondContact O-N 2.93Å; E230-F232 PolarHBondContact O-N 2.92Å; E230-E233 PolarHBondContact O-N 3.36Å; E230-H234 VanDerWaalsContact O-CB 3.3Å; E230-H234 WeakPolarHBondContact O-CB 3.23Å; E230-H234 PolarHBondContact O-N 3.39Å; E230-L507 HydrophobicContact CB-CD1 3.87Å; E230-L507 HydrophobicContact CG-CD1 3.71Å; E230-K510 VanDerWaalsContact OE1-CE 3.31Å; E230-K510 WeakPolarHBondContact OE1-CE 3.44Å; E230-K510 IonicContact OE1-NZ 3.64Å; E230-K510 PolarHBondContact OE1-NZ 3.47Å; E230-K510 VanDerWaalsContact OE1-NZ 3.13Å
231	E	90.1	Very high	89	Confident	50 Å²	50	37.5 Å²	37.5	23%	0.234	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-37.4	178.2	-68.2	-81.5	116.4	0	0	112	R227 H234 C235 V476 S479 L480	R227-E231 VanDerWaalsContact O-CG 3.31Å; R227-E231 WeakPolarHBondContact O-CG 3.45Å; R227-E231 PolarHBondContact O-N 2.89Å; E231-H234 PolarHBondContact O-N 2.88Å; E231-C235 WeakPolarHBondContact O-CB 3.45Å; E231-C235 PolarHBondContact O-N 3.05Å; E231-C235 PolarHBondContact O-SG 3.19Å; E231-V476 HydrophobicContact CB-CG1 3.94Å; E231-S479 WeakPolarHBondContact OE2-CB 3.45Å; E231-S479 PolarHBondContact OE2-OG 3.05Å; E231-L480 HydrophobicContact CB-CD1 4.27Å; E231-L480 HydrophobicContact CG-CD1 3.92Å; E231-L480 HydrophobicContact CG-CD2 3.87Å; E231-L480 HydrophobicContact CG-CG 3.93Å
232	F	91.9	Very high	88.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-42.9	172.9	-73.5	-38.7	0	0	0	112.7	V228 E230 H234 C236 V471 V476 V487 V490 Y491 W494	V228-F232 HydrophobicContact CG1-CD2 3.78Å; V228-F232 HydrophobicContact CG1-CE2 3.28Å; V228-F232 HydrophobicContact CG1-CZ 3.79Å; V228-F232 VanDerWaalsContact O-CD2 3.23Å; V228-F232 WeakPolarHBondContact O-CD2 3.32Å; V228-F232 WeakPolarHBondContact O-CG 3.44Å; V228-F232 PolarHBondContact O-N 2.73Å; E230-F232 PolarHBondContact O-N 2.92Å; F232-H234 VanDerWaalsContact C-N 3.34Å; F232-C236 WeakPolarHBondContact O-CB 3.22Å; F232-C236 PolarHBondContact O-N 3.12Å; F232-V471 HydrophobicContact CD1-CG1 3.48Å; F232-V471 VanDerWaalsContact CD1-CG1 3.48Å; F232-V471 HydrophobicContact CE1-CG1 3.94Å; F232-V471 HydrophobicContact CG-CG1 4.47Å; F232-V476 HydrophobicContact CD1-CB 4.22Å; F232-V476 HydrophobicContact CD1-CG1 4.05Å; F232-V476 HydrophobicContact CD1-CG2 3.81Å; F232-V476 HydrophobicContact CE1-CB 3.89Å; F232-V476 HydrophobicContact CE1-CG1 3.81Å; F232-V476 HydrophobicContact CE1-CG2 3.94Å; F232-V476 HydrophobicContact CZ-CG1 4.39Å; F232-V487 HydrophobicContact CE1-CG1 3.98Å; F232-V487 HydrophobicContact CZ-CG1 3.54Å; F232-V490 HydrophobicContact CE2-CB 4.11Å; F232-V490 HydrophobicContact CE2-CG1 3.95Å; F232-Y491 HydrophobicContact CE1-CD2 4.11Å; F232-Y491 HydrophobicContact CZ-CD2 4.31Å; F232-Y491 HydrophobicContact CZ-CG 4.43Å; F232-W494 HydrophobicContact CB-CD2 3.89Å; F232-W494 HydrophobicContact CB-CE3 4.45Å; F232-W494 HydrophobicContact CB-CG 4.07Å; F232-W494 HydrophobicContact CB-CZ2 4.27Å; F232-W494 HydrophobicContact CD2-CB 3.96Å; F232-W494 HydrophobicContact CD2-CD2 4.31Å; F232-W494 AromaticContact CD2-CG 3.98Å; F232-W494 HydrophobicContact CD2-CG 3.98Å; F232-W494 HydrophobicContact CE2-CB 4.46Å; F232-W494 HydrophobicContact CG-CD2 4.26Å; F232-W494 HydrophobicContact CG-CG 4.34Å
233	E	91.3	Very high	87.7	Confident	8 Å²	8	36.2 Å²	36.2	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-40.7	173.9	-70	-68.1	127.6	0	0	111.5	M229 E230 H237 W494 R498 L506 L507	M229-E233 WeakPolarHBondContact O-CG 3.35Å; M229-E233 PolarHBondContact O-N 2.64Å; M229-E233 VanDerWaalsContact O-N 3.16Å; E230-E233 PolarHBondContact O-N 3.36Å; E233-H237 WeakPolarHBondContact O-CB 3.49Å; E233-H237 PolarHBondContact O-N 3.01Å; E233-W494 PolarHBondContact OE1-NE1 3.2Å; E233-R498 IonicContact OE1-CZ 2.64Å; E233-R498 IonicContact OE1-NE 3.13Å; E233-R498 PolarHBondContact OE1-NE 3.1Å; E233-R498 IonicContact OE1-NH2 2.7Å; E233-R498 PolarHBondContact OE1-NH2 3.08Å; E233-R498 IonicContact OE2-CZ 3.53Å; E233-R498 IonicContact OE2-NE 2.68Å; E233-R498 PolarHBondContact OE2-NE 3.29Å; E233-R498 IonicContact OE2-NH2 3.33Å; E233-R498 PolarHBondContact OE2-NH2 3.44Å; E233-L506 HydrophobicContact CG-CB 4.13Å; E233-L506 WeakPolarHBondContact OE1-CG 3.45Å; E233-L506 PolarHBondContact OE2-N 2.98Å; E233-L507 HydrophobicContact CB-CB 4.29Å; E233-L507 HydrophobicContact CB-CD1 4.19Å; E233-L507 HydrophobicContact CB-CG 4.43Å; E233-L507 HydrophobicContact CG-CB 4.32Å; E233-L507 HydrophobicContact CG-CD1 4.32Å; E233-L507 HydrophobicContact CG-CG 4.19Å; E233-L507 PolarHBondContact OE2-N 3.25Å
234	H	87.8	Confident	86.8	Confident	89 Å²	89	35.6 Å²	35.6	41%	0.412	17%	0.173	S	C	.	.	H	α-helix	trans	-67.1	-52.8	-179.9	-179.6	-92.8	0	0	0	112.7	E230 E231 F232 C236 H237 E238	E230-H234 VanDerWaalsContact O-CB 3.3Å; E230-H234 WeakPolarHBondContact O-CB 3.23Å; E230-H234 PolarHBondContact O-N 3.39Å; E231-H234 PolarHBondContact O-N 2.88Å; F232-H234 VanDerWaalsContact C-N 3.34Å; H234-C236 VanDerWaalsContact C-N 3.32Å; H234-C236 PolarHBondContact O-N 3.2Å; H234-H237 PolarHBondContact O-N 3.16Å; H234-H237 VanDerWaalsContact O-N 3.15Å; H234-E238 PolarHBondContact O-N 3.33Å
235	C	88.1	Confident	85.7	Confident	16 Å²	16	41.8 Å²	41.8	11%	0.108	20%	0.201	C	C	.	.	H	α-helix	trans	-60.4	-42.4	175.8	-72.5	0	0	0	0	111.2	E231 H237 N239 V476	E231-C235 WeakPolarHBondContact O-CB 3.45Å; E231-C235 PolarHBondContact O-N 3.05Å; E231-C235 PolarHBondContact O-SG 3.19Å; C235-H237 VanDerWaalsContact C-N 3.33Å; C235-H237 PolarHBondContact O-N 2.83Å; C235-N239 WeakPolarHBondContact O-CB 3.5Å; C235-N239 PolarHBondContact O-N 2.68Å; C235-N239 PolarHBondContact O-ND2 3.35Å; C235-V476 HydrophobicContact CB-CG2 4.42Å
236	C	88.4	Confident	84.3	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.014	22%	0.219	C	C	.	.	H	α-helix	trans	-60	-43	174.7	-172.7	0	0	0	0	111.5	F232 H234 M240 F467 V471 W494 R498	F232-C236 WeakPolarHBondContact O-CB 3.22Å; F232-C236 PolarHBondContact O-N 3.12Å; H234-C236 VanDerWaalsContact C-N 3.32Å; H234-C236 PolarHBondContact O-N 3.2Å; C236-M240 WeakPolarHBondContact O-CB 3.35Å; C236-M240 PolarHBondContact O-N 3.33Å; C236-F467 PolarHBondContact SG-O 3.23Å; C236-F467 VanDerWaalsContact SG-O 3.37Å; C236-V471 HydrophobicContact CB-CG2 3.52Å; C236-W494 HydrophobicContact CB-CH2 4.09Å; C236-W494 HydrophobicContact CB-CZ2 3.99Å; C236-R498 PolarHBondContact SG-NH1 2.72Å
237	H	85.4	Confident	82.4	Confident	32 Å²	32	53.1 Å²	53.1	15%	0.148	26%	0.258	C	S	.	.	H	α-helix	trans	-65.8	-56.2	178.3	178.5	73.1	0	0	0	112.3	E233 H234 C235 N239 M240 T241 P509	E233-H237 WeakPolarHBondContact O-CB 3.49Å; E233-H237 PolarHBondContact O-N 3.01Å; H234-H237 PolarHBondContact O-N 3.16Å; H234-H237 VanDerWaalsContact O-N 3.15Å; C235-H237 VanDerWaalsContact C-N 3.33Å; C235-H237 PolarHBondContact O-N 2.83Å; H237-N239 PolarHBondContact O-N 3.07Å; H237-M240 PolarHBondContact O-N 3.06Å; H237-T241 WeakPolarHBondContact O-CG2 3.31Å; H237-T241 PolarHBondContact O-N 3.12Å; H237-T241 PolarHBondContact O-OG1 2.79Å; H237-P509 WeakPolarHBondContact CE1-CG 3.46Å; H237-P509 WeakPolarHBondContact ND1-CG 3.44Å
238	E	85	Confident	80.6	Confident	67 Å²	67	55.8 Å²	55.8	31%	0.313	28%	0.276	S	S	.	.	H	α-helix	trans	-61.2	-44.1	-176.9	-65.2	-64.5	109.2	0	0	110.7	H234 M240 T241 H242 K511	H234-E238 PolarHBondContact O-N 3.33Å; E238-M240 PolarHBondContact O-N 3.17Å; E238-T241 WeakPolarHBondContact CA-OG1 3.39Å; E238-T241 PolarHBondContact O-N 2.8Å; E238-T241 PolarHBondContact O-OG1 2.7Å; E238-H242 WeakPolarHBondContact O-CB 3.46Å; E238-H242 PolarHBondContact O-N 2.99Å; E238-K511 IonicContact OE1-NZ 3.43Å; E238-K511 PolarHBondContact OE1-NZ 2.87Å; E238-K511 IonicContact OE2-NZ 3.6Å; E238-K511 PolarHBondContact OE2-NZ 2.95Å
239	N	86.2	Confident	78.6	Confident	58 Å²	58	56 Å²	56	31%	0.31	28%	0.278	S	S	.	.	H	α-helix	trans	-68	-34.9	178.3	-70.1	-23.9	0	0	0	113.1	C235 H237 H242 A243 F470	C235-N239 WeakPolarHBondContact O-CB 3.5Å; C235-N239 PolarHBondContact O-N 2.68Å; C235-N239 PolarHBondContact O-ND2 3.35Å; H237-N239 PolarHBondContact O-N 3.07Å; N239-H242 PolarHBondContact O-N 2.83Å; N239-A243 WeakPolarHBondContact O-CB 3.32Å; N239-A243 PolarHBondContact O-N 2.81Å; N239-F470 HydrophobicContact CB-CB 3.95Å; N239-F470 HydrophobicContact CB-CD1 4.47Å; N239-F470 WeakPolarHBondContact CB-O 3.5Å; N239-F470 PolarHBondContact ND2-O 3.35Å
240	M	83.1	Confident	76.4	Confident	24 Å²	24	57.4 Å²	57.4	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-64.7	-46	171.9	-175.8	70.5	76	0	0	111	C236 H237 E238 H242 A243 M244 M463 F467 F470	C236-M240 WeakPolarHBondContact O-CB 3.35Å; C236-M240 PolarHBondContact O-N 3.33Å; H237-M240 PolarHBondContact O-N 3.06Å; E238-M240 PolarHBondContact O-N 3.17Å; M240-H242 VanDerWaalsContact C-N 3.32Å; M240-H242 PolarHBondContact O-N 3.05Å; M240-A243 PolarHBondContact O-N 2.78Å; M240-M244 HydrophobicContact CG-SD 4.4Å; M240-M244 WeakPolarHBondContact O-CG 3.38Å; M240-M244 PolarHBondContact O-N 2.97Å; M240-M463 HydrophobicContact CE-CB 4.08Å; M240-M463 VanDerWaalsContact CE-O 3.25Å; M240-M463 WeakPolarHBondContact CE-O 3.18Å; M240-M463 HydrophobicContact SD-CB 3.64Å; M240-M463 HydrophobicContact SD-CE 4.14Å; M240-M463 HydrophobicContact SD-SD 4.37Å; M240-F467 HydrophobicContact CE-CB 4.38Å; M240-F470 HydrophobicContact CE-CD2 3.6Å; M240-F470 HydrophobicContact CE-CE2 3.62Å; M240-F470 HydrophobicContact CE-CG 4.27Å; M240-F470 HydrophobicContact CE-CZ 4.31Å; M240-F470 HydrophobicContact SD-CD2 4.24Å; M240-F470 HydrophobicContact SD-CE1 4.38Å; M240-F470 HydrophobicContact SD-CE2 3.94Å; M240-F470 HydrophobicContact SD-CZ 4.02Å
241	T	77.8	Confident	74.1	Confident	39 Å²	39	59.4 Å²	59.4	24%	0.239	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-37.6	176.1	55.2	0	0	0	0	111.8	H237 E238 M244 E245	H237-T241 WeakPolarHBondContact O-CG2 3.31Å; H237-T241 PolarHBondContact O-N 3.12Å; H237-T241 PolarHBondContact O-OG1 2.79Å; E238-T241 WeakPolarHBondContact CA-OG1 3.39Å; E238-T241 PolarHBondContact O-N 2.8Å; E238-T241 PolarHBondContact O-OG1 2.7Å; T241-M244 WeakPolarHBondContact O-CB 3.38Å; T241-M244 PolarHBondContact O-N 3Å; T241-E245 WeakPolarHBondContact O-CG 3.08Å; T241-E245 PolarHBondContact O-N 2.74Å
242	H	76.9	Confident	71.9	Confident	103 Å²	103	61.3 Å²	61.3	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-47.4	175.8	-165.6	53.8	0	0	0	111.1	E238 N239 M240 M244 E245 T246	E238-H242 WeakPolarHBondContact O-CB 3.46Å; E238-H242 PolarHBondContact O-N 2.99Å; N239-H242 PolarHBondContact O-N 2.83Å; M240-H242 VanDerWaalsContact C-N 3.32Å; M240-H242 PolarHBondContact O-N 3.05Å; H242-M244 VanDerWaalsContact C-N 3.25Å; H242-M244 PolarHBondContact O-N 3.32Å; H242-E245 CarbonylContact O-C 3.49Å; H242-E245 WeakPolarHBondContact O-CA 3.3Å; H242-E245 PolarHBondContact O-N 3.14Å; H242-T246 WeakPolarHBondContact CE1-CG2 3.41Å; H242-T246 PolarHBondContact O-N 3.43Å; H242-T246 PolarHBondContact O-OG1 3.1Å
243	A	76.3	Confident	69.5	Low	20 Å²	20	69.5 Å²	69.5	17%	0.165	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-28	175.8	0	0	0	0	0	113.7	N239 M240 G249 F470	N239-A243 WeakPolarHBondContact O-CB 3.32Å; N239-A243 PolarHBondContact O-N 2.81Å; M240-A243 PolarHBondContact O-N 2.78Å; A243-G249 WeakPolarHBondContact O-CA 3.17Å; A243-G249 PolarHBondContact O-N 3.46Å; A243-G249 VanDerWaalsContact O-N 3.11Å; A243-F470 HydrophobicContact CB-CD1 4.25Å; A243-F470 HydrophobicContact CB-CE1 3.6Å
244	M	70.5	Confident	67.4	Low	70 Å²	70	79 Å²	79	35%	0.345	40%	0.398	S	S	.	.	H	α-helix	trans	-72.2	-27.6	170.2	-74	173.6	57.3	0	0	113.4	M240 T241 H242 L460 M463	M240-M244 HydrophobicContact CG-SD 4.4Å; M240-M244 WeakPolarHBondContact O-CG 3.38Å; M240-M244 PolarHBondContact O-N 2.97Å; T241-M244 WeakPolarHBondContact O-CB 3.38Å; T241-M244 PolarHBondContact O-N 3Å; H242-M244 VanDerWaalsContact C-N 3.25Å; H242-M244 PolarHBondContact O-N 3.32Å; M244-L460 HydrophobicContact CE-CD2 3.98Å; M244-L460 HydrophobicContact SD-CD2 4.02Å; M244-M463 HydrophobicContact CG-CE 3.65Å; M244-M463 HydrophobicContact SD-CE 4.46Å
245	E	68.4	Low	65.7	Low	152 Å²	152	78.4 Å²	78.4	71%	0.71	40%	0.398	S	S	*	.	H	α-helix	trans	-88.8	-41	178.3	-72	178.7	171.1	0	0	112.6	T241 H242 E247	T241-E245 WeakPolarHBondContact O-CG 3.08Å; T241-E245 PolarHBondContact O-N 2.74Å; H242-E245 CarbonylContact O-C 3.49Å; H242-E245 WeakPolarHBondContact O-CA 3.3Å; H242-E245 PolarHBondContact O-N 3.14Å; E245-E247 PolarHBondContact O-N 2.95Å
246	T	62.3	Low	64.1	Low	64 Å²	64	86 Å²	86	39%	0.393	43%	0.432	S	S	.	.	S	Bend	trans	-95.7	68.1	-175.1	63.2	0	0	0	0	112.8	H242 E248	H242-T246 WeakPolarHBondContact CE1-CG2 3.41Å; H242-T246 PolarHBondContact O-N 3.43Å; H242-T246 PolarHBondContact O-OG1 3.1Å; T246-E248 PolarHBondContact O-N 3.13Å
247	E	53.7	Low	63	Low	179 Å²	179	92.6 Å²	92.6	84%	0.836	47%	0.467	S	S	*	.	S	Bend	trans	59.1	-33.1	155.2	-58.7	-173.5	119	0	0	119.9	E245	E245-E247 PolarHBondContact O-N 2.95Å
248	E	53.1	Low	62.6	Low	176 Å²	176	92.9 Å²	92.9	82%	0.822	47%	0.471	S	S	*	.	S	Bend	trans	-88.3	-25.7	-176.3	-63.1	-162.4	143.9	0	0	113.5	T246 K459	T246-E248 PolarHBondContact O-N 3.13Å; E248-K459 PolarHBondContact O-NZ 2.85Å
249	G	50.4	Low	62.7	Low	6 Å²	6	92.6 Å²	92.6	6%	0.062	47%	0.473	C	S	.	.	S	Bend	trans	-75.3	-20.2	176.4	0	0	0	0	0	114.5	A243 K459	A243-G249 WeakPolarHBondContact O-CA 3.17Å; A243-G249 PolarHBondContact O-N 3.46Å; A243-G249 VanDerWaalsContact O-N 3.11Å; G249-K459 WeakPolarHBondContact O-CD 3.48Å; G249-K459 WeakPolarHBondContact O-CE 3.09Å; G249-K459 WeakPolarHBondContact O-CG 3.45Å; G249-K459 PolarHBondContact O-NZ 3.38Å
250	L	46.2	Very low	62.8	Low	30 Å²	30	89.8 Å²	89.8	16%	0.157	46%	0.458	C	S	.	.			trans	-138.3	102.4	179	-74.4	176.2	0	0	0	110.5	I252 R456	L250-I252 HydrophobicContact CB-CD1 4.13Å; L250-I252 HydrophobicContact CB-CG1 4.19Å; L250-I252 HydrophobicContact CD1-CD1 4.33Å; L250-I252 PolarHBondContact O-N 3.28Å; L250-R456 HydrophobicContact CD2-CG 4.21Å
251	G	42.7	Very low	63	Low	62 Å²	62	90.4 Å²	90.4	64%	0.639	46%	0.462	S	S	*	.			trans	-71.6	66.9	174.6	0	0	0	0	0	111.8
252	I	43.3	Very low	63.6	Low	91 Å²	91	88.7 Å²	88.7	47%	0.467	45%	0.452	S	S	.	.			trans	-100.5	76.5	173.5	-54.1	171.9	0	0	0	106.7	L250 Y254	L250-I252 HydrophobicContact CB-CD1 4.13Å; L250-I252 HydrophobicContact CB-CG1 4.19Å; L250-I252 HydrophobicContact CD1-CD1 4.33Å; L250-I252 PolarHBondContact O-N 3.28Å; I252-Y254 PolarHBondContact O-N 3.16Å; I252-Y254 VanDerWaalsContact O-N 3.14Å
253	E	42.7	Very low	64	Low	172 Å²	172	86.5 Å²	86.5	80%	0.804	45%	0.447	S	S	*	.			trans	-54.4	115.8	143.5	45.8	-171.8	154.3	0	0	106.8	D255 R452	E253-D255 PolarHBondContact O-N 3.47Å; E253-R452 PolarHBondContact O-NH2 3.17Å
254	Y	46.9	Very low	64.3	Low	207 Å²	207	88.2 Å²	88.2	81%	0.812	45%	0.451	S	S	*	.			trans	-59.3	120.7	178.5	-69.1	-98.6	0	0	0	107.3	I252 E256	I252-Y254 PolarHBondContact O-N 3.16Å; I252-Y254 VanDerWaalsContact O-N 3.14Å; Y254-E256 PolarHBondContact O-N 3.33Å; Y254-E256 VanDerWaalsContact O-N 3.08Å
255	D	51.7	Low	64.8	Low	77 Å²	77	86.6 Å²	86.6	41%	0.412	45%	0.447	S	S	.	.			trans	-68.4	112.7	165.5	-109.3	-14.5	0	0	0	106.2	E253 D257 V258 R452	E253-D255 PolarHBondContact O-N 3.47Å; D255-D257 HydrophobicContact CB-CB 4.48Å; D255-D257 PolarHBondContact O-N 2.95Å; D255-V258 HydrophobicContact CB-CG2 3.62Å; D255-V258 WeakPolarHBondContact O-CG2 3.43Å; D255-V258 PolarHBondContact O-N 2.84Å; D255-R452 IonicContact OD2-CZ 2.68Å; D255-R452 IonicContact OD2-NH1 2.76Å; D255-R452 PolarHBondContact OD2-NH1 3.06Å; D255-R452 IonicContact OD2-NH2 3.8Å; D255-R452 PolarHBondContact OD2-NH2 3.18Å
256	E	56.1	Low	65.2	Low	176 Å²	176	81.9 Å²	81.9	82%	0.822	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.5	169.5	-58.3	-176.6	159.6	0	0	111.3	Y254 P266	Y254-E256 PolarHBondContact O-N 3.33Å; Y254-E256 VanDerWaalsContact O-N 3.08Å; E256-P266 WeakPolarHBondContact O-CB 3.41Å
257	D	63.3	Low	65.8	Low	140 Å²	140	83.9 Å²	83.9	75%	0.749	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.3	172.3	-83.7	-21.3	0	0	0	115.2	D255 V259	D255-D257 HydrophobicContact CB-CB 4.48Å; D255-D257 PolarHBondContact O-N 2.95Å; D257-V259 PolarHBondContact O-N 3.02Å
258	V	78.9	Confident	66.5	Low	38 Å²	38	77.8 Å²	77.8	23%	0.23	42%	0.424	C	S	.	.			trans	-75.4	93.7	-178.8	-178.1	0	0	0	0	112	D255 M274 F276 C283	D255-V258 HydrophobicContact CB-CG2 3.62Å; D255-V258 WeakPolarHBondContact O-CG2 3.43Å; D255-V258 PolarHBondContact O-N 2.84Å; V258-M274 WeakPolarHBondContact O-CE 3.24Å; V258-F276 HydrophobicContact CG1-CE1 4Å; V258-F276 HydrophobicContact CG1-CZ 3.96Å; V258-C283 HydrophobicContact CG1-CB 4.4Å
259	V	85.2	Confident	67.3	Low	60 Å²	60	73.9 Å²	73.9	36%	0.364	41%	0.405	S	S	.	.			trans	-83.1	148.1	179.8	-58.1	0	0	0	0	114.8	D257 S265 P266	D257-V259 PolarHBondContact O-N 3.02Å; V259-S265 WeakPolarHBondContact CA-O 3.4Å; V259-P266 HydrophobicContact CG1-CB 4.27Å
260	C	88.8	Confident	67.8	Low	0 Å²	0	79.1 Å²	79.1	0%	0	43%	0.432	C	S	.	.			trans	-69.1	133.6	176	168.6	0	0	0	0	113	V262 C263 Q264 S265 M274 C283 H285	C260-V262 PolarHBondContact O-N 2.86Å; C260-V262 PolarHBondContact SG-N 3.3Å; C260-V262 VanDerWaalsContact SG-N 3.37Å; C260-C263 VanDerWaalsContact CB-SG 3.56Å; C260-Q264 VanDerWaalsContact O-CA 3.29Å; C260-Q264 WeakPolarHBondContact O-CA 3.25Å; C260-Q264 PolarHBondContact O-N 3.49Å; C260-Q264 PolarHBondContact O-NE2 3.43Å; C260-S265 PolarHBondContact N-O 3.31Å; C260-M274 HydrophobicContact CB-CE 3.96Å; C260-M274 HydrophobicContact CB-SD 3.81Å; C260-C283 WeakPolarHBondContact CA-O 3.4Å; C260-H285 WeakPolarHBondContact CB-ND1 3.5Å; C260-H285 PolarHBondContact SG-N 2.91Å; C260-H285 VanDerWaalsContact SG-N 3.44Å
261	D	88.3	Confident	69	Low	37 Å²	37	84.8 Å²	84.8	20%	0.198	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-12.5	178.1	-112.7	-59.4	0	0	0	115.2	I282 C283 V284 K317 A321	D261-I282 WeakPolarHBondContact OD2-CB 3.48Å; D261-C283 PolarHBondContact N-O 3.05Å; D261-V284 HydrophobicContact CB-CG1 4.22Å; D261-K317 IonicContact OD1-NZ 3.98Å; D261-A321 HydrophobicContact CB-CB 4.23Å
262	V	89.3	Confident	70.9	Confident	3 Å²	3	83.3 Å²	83.3	2%	0.018	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-50.2	-177.1	-178.1	0	0	0	0	112.5	C260 V284 C288 A321 V334 L338	C260-V262 PolarHBondContact O-N 2.86Å; C260-V262 PolarHBondContact SG-N 3.3Å; C260-V262 VanDerWaalsContact SG-N 3.37Å; V262-V284 HydrophobicContact CG2-CG1 4.05Å; V262-C288 HydrophobicContact CB-CB 3.87Å; V262-C288 HydrophobicContact CG1-CB 3.96Å; V262-C288 HydrophobicContact CG2-CB 4.31Å; V262-A321 HydrophobicContact CG2-CB 3.57Å; V262-V334 HydrophobicContact CG1-CB 4.24Å; V262-V334 HydrophobicContact CG1-CG1 4.11Å; V262-V334 HydrophobicContact CG2-CB 4.28Å; V262-L338 HydrophobicContact CG1-CD1 3.98Å
263	C	85.8	Confident	72.8	Confident	56 Å²	56	84 Å²	84	38%	0.378	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-16.3	-177.1	64.1	0	0	0	0	114.7	C260 S265 H285	C260-C263 VanDerWaalsContact CB-SG 3.56Å; C263-S265 PolarHBondContact O-N 3.27Å; C263-H285 PolarHBondContact SG-ND1 3.47Å
264	Q	83	Confident	75	Confident	56 Å²	56	77.8 Å²	77.8	26%	0.262	41%	0.413	S	S	.	.			trans	60.5	22.6	-177.8	-53.7	-76.1	-105.2	0	0	115.4	C260 L397	C260-Q264 VanDerWaalsContact O-CA 3.29Å; C260-Q264 WeakPolarHBondContact O-CA 3.25Å; C260-Q264 PolarHBondContact O-N 3.49Å; C260-Q264 PolarHBondContact O-NE2 3.43Å; Q264-L397 HydrophobicContact CG-CB 4.23Å; Q264-L397 HydrophobicContact CG-CD2 4.13Å
265	S	80.1	Confident	77	Confident	37 Å²	37	68.4 Å²	68.4	26%	0.259	38%	0.377	S	S	.	.			trans	-101.9	152	163.7	110.2	0	0	0	0	110.6	V259 C260 C263 D267	V259-S265 WeakPolarHBondContact CA-O 3.4Å; C260-S265 PolarHBondContact N-O 3.31Å; C263-S265 PolarHBondContact O-N 3.27Å; S265-D267 WeakPolarHBondContact CB-OD2 3.49Å; S265-D267 PolarHBondContact OG-N 3.26Å; S265-D267 PolarHBondContact OG-OD2 3.36Å
266	P	77	Confident	78.8	Confident	53 Å²	53	68.8 Å²	68.8	34%	0.344	38%	0.375	S	S	.	.			trans	-86.8	-9.9	175	35.8	-35.5	0	0	0	113.5	E256 V259 G268	E256-P266 WeakPolarHBondContact O-CB 3.41Å; V259-P266 HydrophobicContact CG1-CB 4.27Å; P266-G268 PolarHBondContact O-N 3.33Å
267	D	75.9	Confident	80.5	Confident	105 Å²	105	60.5 Å²	60.5	56%	0.561	34%	0.336	S	S	*	.			trans	-75.5	89.3	-163.9	-37.2	-92.8	0	0	0	112.9	S265 E269 H285	S265-D267 WeakPolarHBondContact CB-OD2 3.49Å; S265-D267 PolarHBondContact OG-N 3.26Å; S265-D267 PolarHBondContact OG-OD2 3.36Å; D267-E269 PolarHBondContact O-N 2.92Å; D267-H285 PolarHBondContact O-NE2 3.16Å; D267-H285 VanDerWaalsContact O-NE2 3.13Å
268	G	68.8	Low	81.7	Confident	52 Å²	52	58 Å²	58	54%	0.536	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-66.1	117.1	167.3	0	0	0	0	0	111.2	P266	P266-G268 PolarHBondContact O-N 3.33Å
269	E	69.1	Low	81.9	Confident	94 Å²	94	62.9 Å²	62.9	44%	0.439	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-95.1	148.2	174.2	-82.6	-162.2	-134.1	0	0	111.5	D267 N271 N272 R837	D267-E269 PolarHBondContact O-N 2.92Å; E269-N271 PolarHBondContact O-N 3.35Å; E269-N272 HydrophobicContact CB-CB 4.24Å; E269-N272 CarbonylContact O-C 3.52Å; E269-N272 VanDerWaalsContact O-C 3.32Å; E269-N272 WeakPolarHBondContact O-CA 3.43Å; E269-N272 PolarHBondContact O-N 3.29Å; E269-R837 VanDerWaalsContact CD-NE 3.32Å; E269-R837 IonicContact OE2-CZ 3.13Å; E269-R837 VanDerWaalsContact OE2-CZ 3.27Å; E269-R837 IonicContact OE2-NE 3.08Å; E269-R837 PolarHBondContact OE2-NE 3.3Å; E269-R837 IonicContact OE2-NH2 3.96Å; E269-R837 PolarHBondContact OE2-NH2 3.39Å
270	D	60.4	Low	81.8	Confident	116 Å²	116	62.9 Å²	62.9	62%	0.62	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	124	167.6	-39.6	-95.4	0	0	0	110.5	N272 R837	D270-N272 VanDerWaalsContact C-N 3.35Å; D270-R837 IonicContact OD2-CZ 3.79Å; D270-R837 VanDerWaalsContact OD2-CZ 3.24Å; D270-R837 IonicContact OD2-NH1 3.2Å; D270-R837 PolarHBondContact OD2-NH1 3.12Å; D270-R837 IonicContact OD2-NH2 2.74Å; D270-R837 PolarHBondContact OD2-NH2 3.42Å
271	N	71.6	Confident	81.7	Confident	148 Å²	148	65.5 Å²	65.5	79%	0.791	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	13.2	-171.4	-40.7	-95.1	0	0	0	116.1	E269 Q286	E269-N271 PolarHBondContact O-N 3.35Å; N271-Q286 PolarHBondContact O-OE1 3.08Å
272	N	82.1	Confident	81.8	Confident	32 Å²	32	64.3 Å²	64.3	17%	0.171	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-140.4	61.2	169.2	176.9	53.1	0	0	0	110.1	E269 D270 H285 Q286 A287	E269-N272 HydrophobicContact CB-CB 4.24Å; E269-N272 CarbonylContact O-C 3.52Å; E269-N272 VanDerWaalsContact O-C 3.32Å; E269-N272 WeakPolarHBondContact O-CA 3.43Å; E269-N272 PolarHBondContact O-N 3.29Å; D270-N272 VanDerWaalsContact C-N 3.35Å; N272-H285 PolarHBondContact O-CD2 2.88Å; N272-Q286 PolarHBondContact OD1-N 2.87Å; N272-A287 VanDerWaalsContact OD1-CB 3.22Å; N272-A287 WeakPolarHBondContact OD1-CB 3.04Å; N272-A287 PolarHBondContact OD1-N 3.33Å
273	E	84.2	Confident	81.9	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.491	35%	0.352	S	S	.	.			trans	-62.2	153.5	-174.2	-67.8	161.8	-165	0	0	113.3	H285 Q286	E273-H285 CarbonylContact O-C 3.59Å; E273-H285 WeakPolarHBondContact O-CA 3.48Å; E273-Q286 PolarHBondContact O-N 3.27Å
274	M	87.9	Confident	82.2	Confident	42 Å²	42	61.8 Å²	61.8	21%	0.207	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.1	172.9	-82.8	-77.4	-106.2	0	0	110.5	V258 C260 C283 H285	V258-M274 WeakPolarHBondContact O-CE 3.24Å; C260-M274 HydrophobicContact CB-CE 3.96Å; C260-M274 HydrophobicContact CB-SD 3.81Å; M274-C283 WeakPolarHBondContact CE-SG 3.39Å; M274-H285 VanDerWaalsContact CG-CD2 3.48Å; M274-H285 WeakPolarHBondContact CG-CD2 3.48Å; M274-H285 WeakPolarHBondContact CG-NE2 3.34Å; M274-H285 PolarHBondContact SD-CD2 3.32Å; M274-H285 PolarHBondContact SD-NE2 3.43Å; M274-H285 VanDerWaalsContact SD-NE2 3.45Å
275	V	89.3	Confident	82.6	Confident	10 Å²	10	59.3 Å²	59.3	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.1	-174.6	-166.9	0	0	0	0	110.6	V284 I291 V294 W299	V275-V284 PolarHBondContact N-O 2.88Å; V275-V284 PolarHBondContact O-N 3.26Å; V275-I291 HydrophobicContact CB-CD1 3.99Å; V275-I291 HydrophobicContact CG1-CD1 4.28Å; V275-I291 HydrophobicContact CG2-CD1 3.98Å; V275-V294 HydrophobicContact CG1-CG1 4.39Å; V275-V294 HydrophobicContact CG2-CG1 4.28Å; V275-V294 HydrophobicContact CG2-CG2 3.87Å; V275-W299 HydrophobicContact CB-CE3 4.43Å; V275-W299 HydrophobicContact CG1-CB 3.97Å; V275-W299 HydrophobicContact CG1-CD2 3.58Å; V275-W299 HydrophobicContact CG1-CE3 3.62Å; V275-W299 HydrophobicContact CG1-CG 3.7Å; V275-W299 HydrophobicContact CG1-CZ3 4.35Å
276	F	90.6	Very high	83.1	Confident	85 Å²	85	59.2 Å²	59.2	37%	0.373	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.2	178.9	-65.2	-98.1	0	0	0	111.1	V258 I282 C283	V258-F276 HydrophobicContact CG1-CE1 4Å; V258-F276 HydrophobicContact CG1-CZ 3.96Å; F276-I282 WeakPolarHBondContact CA-O 3.4Å; F276-C283 HydrophobicContact CD1-CB 3.78Å; F276-C283 HydrophobicContact CE1-CB 3.63Å; F276-C283 VanDerWaalsContact CE1-SG 3.52Å; F276-C283 HydrophobicContact CG-CB 4.49Å; F276-C283 HydrophobicContact CZ-CB 4.22Å; F276-C283 WeakPolarHBondContact CZ-SG 3.43Å
277	C	91.3	Very high	83.7	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	32%	0.324	C	S	.	.			trans	-87.5	114.7	176.3	179.1	0	0	0	0	112	K279 C280 N281 I282 W299 C301	C277-K279 PolarHBondContact O-N 3.07Å; C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 VanDerWaalsContact O-N 3.12Å; C277-C280 PolarHBondContact SG-SG 3.48Å; C277-N281 VanDerWaalsContact O-CA 3.32Å; C277-N281 WeakPolarHBondContact O-CA 3.38Å; C277-N281 PolarHBondContact O-N 3.03Å; C277-I282 HydrophobicContact CB-CG1 3.75Å; C277-I282 PolarHBondContact N-O 3.15Å; C277-W299 WeakPolarHBondContact CA-O 3.36Å; C277-W299 HydrophobicContact CB-CE3 3.92Å; C277-W299 HydrophobicContact CB-CZ3 3.73Å; C277-C301 HydrophobicContact CB-CB 4.1Å; C277-C301 PolarHBondContact SG-N 2.75Å
278	D	88.2	Confident	84.4	Confident	88 Å²	88	55.7 Å²	55.7	47%	0.471	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.2	-173.3	-61.1	-59.3	0	0	0	114.6	S298 W299 L300	D278-S298 WeakPolarHBondContact OD2-CA 3.21Å; D278-S298 WeakPolarHBondContact OD2-CB 3.39Å; D278-W299 PolarHBondContact N-O 3.37Å; D278-W299 VanDerWaalsContact N-O 3.12Å; D278-W299 PolarHBondContact OD2-N 3.47Å; D278-L300 HydrophobicContact CB-CD2 4.31Å
279	K	82.8	Confident	85.6	Confident	140 Å²	140	53.5 Å²	53.5	61%	0.609	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-19.2	-178	-178.1	165.9	-179.2	171.8	0	115.2	C277 L300 C304	C277-K279 PolarHBondContact O-N 3.07Å; K279-L300 HydrophobicContact CB-CD2 3.68Å; K279-C304 HydrophobicContact CB-CB 3.96Å; K279-C304 HydrophobicContact CD-CB 4.08Å; K279-C304 HydrophobicContact CG-CB 4.21Å
280	C	84.6	Confident	86.7	Confident	61 Å²	61	49.5 Å²	49.5	41%	0.412	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	4	-176.7	70.3	0	0	0	0	115.6	C277 I282 C304	C277-C280 PolarHBondContact O-N 3.09Å; C277-C280 VanDerWaalsContact O-N 3.12Å; C277-C280 PolarHBondContact SG-SG 3.48Å; C280-I282 PolarHBondContact O-N 2.73Å; C280-C304 PolarHBondContact SG-SG 3.44Å
281	N	86.2	Confident	88.1	Confident	54 Å²	54	44.8 Å²	44.8	29%	0.289	24%	0.24	S	C	.	.			trans	50.2	27.6	176.9	-152.3	27.5	0	0	0	115.6	C277 Q449 V453	C277-N281 VanDerWaalsContact O-CA 3.32Å; C277-N281 WeakPolarHBondContact O-CA 3.38Å; C277-N281 PolarHBondContact O-N 3.03Å; N281-Q449 PolarHBondContact ND2-NE2 3.26Å; N281-V453 WeakPolarHBondContact ND2-CG2 3.48Å
282	I	89.9	Confident	88.8	Confident	12 Å²	12	43 Å²	43	6%	0.062	23%	0.227	C	C	.	.			trans	-69.3	137.7	166.4	68.1	167.3	0	0	0	108.6	D261 F276 C277 C280 C301 A321	D261-I282 WeakPolarHBondContact OD2-CB 3.48Å; F276-I282 WeakPolarHBondContact CA-O 3.4Å; C277-I282 HydrophobicContact CB-CG1 3.75Å; C277-I282 PolarHBondContact N-O 3.15Å; C280-I282 PolarHBondContact O-N 2.73Å; I282-C301 HydrophobicContact CD1-CB 3.62Å; I282-C301 HydrophobicContact CG1-CB 4.19Å; I282-A321 HydrophobicContact CD1-CB 4.28Å
283	C	90.8	Very high	89	Confident	7 Å²	7	49.9 Å²	49.9	5%	0.047	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	122.9	179.5	-173.5	0	0	0	0	110.3	V258 C260 D261 M274 F276	V258-C283 HydrophobicContact CG1-CB 4.4Å; C260-C283 WeakPolarHBondContact CA-O 3.4Å; D261-C283 PolarHBondContact N-O 3.05Å; M274-C283 WeakPolarHBondContact CE-SG 3.39Å; F276-C283 HydrophobicContact CD1-CB 3.78Å; F276-C283 HydrophobicContact CE1-CB 3.63Å; F276-C283 VanDerWaalsContact CE1-SG 3.52Å; F276-C283 HydrophobicContact CG-CB 4.49Å; F276-C283 HydrophobicContact CZ-CB 4.22Å; F276-C283 WeakPolarHBondContact CZ-SG 3.43Å
284	V	92.3	Very high	89	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	130.9	-176.8	-67.1	0	0	0	0	113	D261 V262 V275 Q286 Y289 I291 W299 A321	D261-V284 HydrophobicContact CB-CG1 4.22Å; V262-V284 HydrophobicContact CG2-CG1 4.05Å; V275-V284 PolarHBondContact N-O 2.88Å; V275-V284 PolarHBondContact O-N 3.26Å; V284-Q286 PolarHBondContact O-N 3.36Å; V284-Y289 HydrophobicContact CG2-CD1 4.44Å; V284-Y289 HydrophobicContact CG2-CG 4.08Å; V284-I291 HydrophobicContact CG2-CD1 4.1Å; V284-W299 HydrophobicContact CG2-CH2 3.62Å; V284-W299 HydrophobicContact CG2-CZ3 3.9Å; V284-A321 HydrophobicContact CG1-CB 3.82Å
285	H	90.8	Very high	88.8	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.019	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	137.1	163.5	-76.3	126.7	0	0	0	111	C260 C263 D267 N272 E273 M274 A287 C288 Y289	C260-H285 WeakPolarHBondContact CB-ND1 3.5Å; C260-H285 PolarHBondContact SG-N 2.91Å; C260-H285 VanDerWaalsContact SG-N 3.44Å; C263-H285 PolarHBondContact SG-ND1 3.47Å; D267-H285 PolarHBondContact O-NE2 3.16Å; D267-H285 VanDerWaalsContact O-NE2 3.13Å; N272-H285 PolarHBondContact O-CD2 2.88Å; E273-H285 CarbonylContact O-C 3.59Å; E273-H285 WeakPolarHBondContact O-CA 3.48Å; M274-H285 VanDerWaalsContact CG-CD2 3.48Å; M274-H285 WeakPolarHBondContact CG-CD2 3.48Å; M274-H285 WeakPolarHBondContact CG-NE2 3.34Å; M274-H285 PolarHBondContact SD-CD2 3.32Å; M274-H285 PolarHBondContact SD-NE2 3.43Å; M274-H285 VanDerWaalsContact SD-NE2 3.45Å; H285-A287 VanDerWaalsContact C-N 3.31Å; H285-A287 PolarHBondContact O-N 2.82Å; H285-C288 HydrophobicContact CB-CB 3.84Å; H285-C288 PolarHBondContact O-N 2.9Å; H285-Y289 PolarHBondContact O-N 3.36Å; H285-Y289 VanDerWaalsContact O-N 3.15Å
286	Q	90.6	Very high	88.1	Confident	34 Å²	34	57.5 Å²	57.5	16%	0.159	29%	0.293	C	S	.	.	H	α-helix	trans	-47.2	-50.9	179.8	-171.3	-175.5	0.6	0	0	112.4	N271 N272 E273 V284 G290 I291 V294	N271-Q286 PolarHBondContact O-OE1 3.08Å; N272-Q286 PolarHBondContact OD1-N 2.87Å; E273-Q286 PolarHBondContact O-N 3.27Å; V284-Q286 PolarHBondContact O-N 3.36Å; Q286-G290 PolarHBondContact O-N 3.23Å; Q286-I291 HydrophobicContact CG-CB 3.93Å; Q286-I291 HydrophobicContact CG-CG2 4.34Å; Q286-I291 WeakPolarHBondContact CG-O 3.35Å; Q286-I291 PolarHBondContact NE2-O 2.81Å; Q286-I291 PolarHBondContact O-N 3.09Å; Q286-V294 HydrophobicContact CG-CG2 4.35Å
287	A	89.9	Confident	87.6	Confident	58 Å²	58	55.7 Å²	55.7	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-70.5	-36.2	178.4	0	0	0	0	0	112.8	N272 H285 Y289 G290 M351	N272-A287 VanDerWaalsContact OD1-CB 3.22Å; N272-A287 WeakPolarHBondContact OD1-CB 3.04Å; N272-A287 PolarHBondContact OD1-N 3.33Å; H285-A287 VanDerWaalsContact C-N 3.31Å; H285-A287 PolarHBondContact O-N 2.82Å; A287-Y289 VanDerWaalsContact C-N 3.26Å; A287-Y289 PolarHBondContact O-N 3.28Å; A287-G290 PolarHBondContact O-N 3.24Å; A287-M351 VanDerWaalsContact O-CE 3.25Å; A287-M351 WeakPolarHBondContact O-CE 3.31Å
288	C	91	Very high	87.2	Confident	27 Å²	27	58 Å²	58	18%	0.182	32%	0.315	C	S	.	.	H	α-helix	trans	-67.1	-23.8	-178.7	-72.7	0	0	0	0	113.8	V262 H285	V262-C288 HydrophobicContact CB-CB 3.87Å; V262-C288 HydrophobicContact CG1-CB 3.96Å; V262-C288 HydrophobicContact CG2-CB 4.31Å; H285-C288 HydrophobicContact CB-CB 3.84Å; H285-C288 PolarHBondContact O-N 2.9Å
289	Y	93.9	Very high	87.3	Confident	6 Å²	6	55.3 Å²	55.3	2%	0.024	30%	0.299	C	S	.	.	H	α-helix	trans	-109.8	-2.8	174.2	-160.9	-108.7	0	0	0	114	V284 H285 A287 I291 W299 C301 R302 A321 M322 K323 V334	V284-Y289 HydrophobicContact CG2-CD1 4.44Å; V284-Y289 HydrophobicContact CG2-CG 4.08Å; H285-Y289 PolarHBondContact O-N 3.36Å; H285-Y289 VanDerWaalsContact O-N 3.15Å; A287-Y289 VanDerWaalsContact C-N 3.26Å; A287-Y289 PolarHBondContact O-N 3.28Å; Y289-I291 HydrophobicContact CD1-CD1 4.28Å; Y289-I291 HydrophobicContact CD1-CG1 4.06Å; Y289-W299 AromaticContact CD1-CH2 3.75Å; Y289-W299 HydrophobicContact CD1-CH2 3.75Å; Y289-W299 AromaticContact CD1-CZ2 3.6Å; Y289-W299 HydrophobicContact CD1-CZ2 3.6Å; Y289-W299 AromaticContact CE1-CH2 3.87Å; Y289-W299 HydrophobicContact CE1-CH2 3.87Å; Y289-W299 AromaticContact CE1-CZ2 3.73Å; Y289-W299 HydrophobicContact CE1-CZ2 3.73Å; Y289-C301 HydrophobicContact CE1-CB 4.38Å; Y289-R302 WeakPolarHBondContact OH-CB 3.45Å; Y289-R302 PolarHBondContact OH-N 2.9Å; Y289-A321 HydrophobicContact CD2-CB 4.05Å; Y289-A321 HydrophobicContact CE2-CB 4.12Å; Y289-M322 WeakPolarHBondContact CE2-O 3.24Å; Y289-M322 PolarHBondContact OH-O 3.33Å; Y289-K323 HydrophobicContact CE1-CD 4.4Å; Y289-K323 HydrophobicContact CE2-CD 4.05Å; Y289-K323 HydrophobicContact CE2-CG 4.08Å; Y289-K323 WeakPolarHBondContact O-CE 3.44Å; Y289-K323 PolarHBondContact O-NZ 3Å; Y289-K323 VanDerWaalsContact O-NZ 3.09Å; Y289-V334 HydrophobicContact CD2-CG2 3.93Å; Y289-V334 HydrophobicContact CE2-CG2 4.06Å
290	G	91.5	Very high	87.8	Confident	10 Å²	10	52 Å²	52	10%	0.103	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	44.8	177.6	0	0	0	0	0	113.6	Q286 A287 Q292 E349	Q286-G290 PolarHBondContact O-N 3.23Å; A287-G290 PolarHBondContact O-N 3.24Å; G290-Q292 PolarHBondContact O-N 2.98Å; G290-E349 CarbonylContact C-O 3.54Å; G290-E349 WeakPolarHBondContact CA-O 3.32Å
291	I	91.3	Very high	88.1	Confident	16 Å²	16	49.1 Å²	49.1	8%	0.082	27%	0.267	C	S	.	.			trans	-88.9	95	179.5	-58.6	169.3	0	0	0	108	V275 V284 Q286 Y289 K293 W299	V275-I291 HydrophobicContact CB-CD1 3.99Å; V275-I291 HydrophobicContact CG1-CD1 4.28Å; V275-I291 HydrophobicContact CG2-CD1 3.98Å; V284-I291 HydrophobicContact CG2-CD1 4.1Å; Q286-I291 HydrophobicContact CG-CB 3.93Å; Q286-I291 HydrophobicContact CG-CG2 4.34Å; Q286-I291 WeakPolarHBondContact CG-O 3.35Å; Q286-I291 PolarHBondContact NE2-O 2.81Å; Q286-I291 PolarHBondContact O-N 3.09Å; Y289-I291 HydrophobicContact CD1-CD1 4.28Å; Y289-I291 HydrophobicContact CD1-CG1 4.06Å; I291-K293 WeakPolarHBondContact CG2-O 3.4Å; I291-K293 PolarHBondContact O-N 3.26Å; I291-K293 VanDerWaalsContact O-N 3.11Å; I291-W299 HydrophobicContact CD1-CD2 4.42Å; I291-W299 HydrophobicContact CD1-CH2 3.94Å; I291-W299 HydrophobicContact CD1-CZ2 3.41Å; I291-W299 VanDerWaalsContact CD1-CZ2 3.41Å; I291-W299 HydrophobicContact CG1-CZ2 3.93Å
292	Q	86.6	Confident	88.4	Confident	112 Å²	112	50.5 Å²	50.5	52%	0.523	27%	0.269	S	S	.	.	S	Bend	trans	-61	-25.4	-173.5	-71.5	-169.1	-51.6	0	0	114.5	G290 E349 K350	G290-Q292 PolarHBondContact O-N 2.98Å; Q292-E349 PolarHBondContact NE2-OE2 2.74Å; Q292-K350 HydrophobicContact CG-CG 4.35Å; Q292-K350 VanDerWaalsContact NE2-CE 3.35Å
293	K	84.7	Confident	88.5	Confident	176 Å²	176	50.7 Å²	50.7	77%	0.765	27%	0.27	S	S	*	.	S	Bend	trans	-154.4	135.2	171	-177.3	177.6	177.4	-179.3	0	108.5	I291	I291-K293 WeakPolarHBondContact CG2-O 3.4Å; I291-K293 PolarHBondContact O-N 3.26Å; I291-K293 VanDerWaalsContact O-N 3.11Å
294	V	84.8	Confident	88.6	Confident	36 Å²	36	51.1 Å²	51.1	22%	0.218	27%	0.273	C	S	.	.			trans	-71.1	130.7	172	-170.3	0	0	0	0	108.6	V275 Q286	V275-V294 HydrophobicContact CG1-CG1 4.39Å; V275-V294 HydrophobicContact CG2-CG1 4.28Å; V275-V294 HydrophobicContact CG2-CG2 3.87Å; Q286-V294 HydrophobicContact CG-CG2 4.35Å
295	P	83.9	Confident	88.5	Confident	55 Å²	55	53.7 Å²	53.7	36%	0.357	29%	0.294	S	S	.	.			trans	-67.1	155.7	173.1	30.1	-34.8	0	0	0	110.5	G297 W299	P295-G297 VanDerWaalsContact C-N 3.31Å; P295-W299 HydrophobicContact CG-CB 3.91Å; P295-W299 HydrophobicContact CG-CG 4.33Å
296	K	73.7	Confident	88.4	Confident	225 Å²	225	57.3 Å²	57.3	98%	0.978	31%	0.313	S	S	*	.	S	Bend	trans	-76.9	-17.4	174.1	-77	-163.1	170.2	-160.7	0	113.8
297	G	80.4	Confident	88.3	Confident	48 Å²	48	58.5 Å²	58.5	50%	0.495	33%	0.334	S	S	.	.	S	Bend	trans	-118.8	-152.9	174.8	0	0	0	0	0	110.6	P295	P295-G297 VanDerWaalsContact C-N 3.31Å
298	S	83.3	Confident	88.3	Confident	50 Å²	50	59.2 Å²	59.2	35%	0.35	33%	0.329	S	S	.	.			trans	-48.8	138.2	-173	62.5	0	0	0	0	115	D278 R519	D278-S298 WeakPolarHBondContact OD2-CA 3.21Å; D278-S298 WeakPolarHBondContact OD2-CB 3.39Å; S298-R519 PolarHBondContact OG-NH1 3.44Å; S298-R519 VanDerWaalsContact OG-NH1 3.11Å
299	W	90.9	Very high	88.1	Confident	31 Å²	31	65 Å²	65	12%	0.117	36%	0.358	C	S	.	.			trans	-116.9	124.9	172.6	-174.3	76.3	0	0	0	112	V275 C277 D278 V284 Y289 I291 P295 C301	V275-W299 HydrophobicContact CB-CE3 4.43Å; V275-W299 HydrophobicContact CG1-CB 3.97Å; V275-W299 HydrophobicContact CG1-CD2 3.58Å; V275-W299 HydrophobicContact CG1-CE3 3.62Å; V275-W299 HydrophobicContact CG1-CG 3.7Å; V275-W299 HydrophobicContact CG1-CZ3 4.35Å; C277-W299 WeakPolarHBondContact CA-O 3.36Å; C277-W299 HydrophobicContact CB-CE3 3.92Å; C277-W299 HydrophobicContact CB-CZ3 3.73Å; D278-W299 PolarHBondContact N-O 3.37Å; D278-W299 VanDerWaalsContact N-O 3.12Å; D278-W299 PolarHBondContact OD2-N 3.47Å; V284-W299 HydrophobicContact CG2-CH2 3.62Å; V284-W299 HydrophobicContact CG2-CZ3 3.9Å; Y289-W299 AromaticContact CD1-CH2 3.75Å; Y289-W299 HydrophobicContact CD1-CH2 3.75Å; Y289-W299 AromaticContact CD1-CZ2 3.6Å; Y289-W299 HydrophobicContact CD1-CZ2 3.6Å; Y289-W299 AromaticContact CE1-CH2 3.87Å; Y289-W299 HydrophobicContact CE1-CH2 3.87Å; Y289-W299 AromaticContact CE1-CZ2 3.73Å; Y289-W299 HydrophobicContact CE1-CZ2 3.73Å; I291-W299 HydrophobicContact CD1-CD2 4.42Å; I291-W299 HydrophobicContact CD1-CH2 3.94Å; I291-W299 HydrophobicContact CD1-CZ2 3.41Å; I291-W299 VanDerWaalsContact CD1-CZ2 3.41Å; I291-W299 HydrophobicContact CG1-CZ2 3.93Å; P295-W299 HydrophobicContact CG-CB 3.91Å; P295-W299 HydrophobicContact CG-CG 4.33Å; W299-C301 HydrophobicContact CH2-CB 3.6Å; W299-C301 HydrophobicContact CZ2-CB 4.26Å; W299-C301 HydrophobicContact CZ3-CB 3.93Å
300	L	91.8	Very high	88	Confident	70 Å²	70	65.6 Å²	65.6	37%	0.366	36%	0.362	S	S	.	.			trans	-115.6	123.9	176.4	-62.8	-178.8	0	0	0	111.2	D278 K279 C304 A305	D278-L300 HydrophobicContact CB-CD2 4.31Å; K279-L300 HydrophobicContact CB-CD2 3.68Å; L300-C304 HydrophobicContact CB-CB 4.38Å; L300-C304 HydrophobicContact CD2-CB 4.37Å; L300-A305 HydrophobicContact CB-CB 4.08Å
301	C	92.9	Very high	88	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.392	C	S	.	.			trans	-61.7	160.2	172.2	81	0	0	0	0	111.4	C277 I282 Y289 W299 I303 C304 A305	C277-C301 HydrophobicContact CB-CB 4.1Å; C277-C301 PolarHBondContact SG-N 2.75Å; I282-C301 HydrophobicContact CD1-CB 3.62Å; I282-C301 HydrophobicContact CG1-CB 4.19Å; Y289-C301 HydrophobicContact CE1-CB 4.38Å; W299-C301 HydrophobicContact CH2-CB 3.6Å; W299-C301 HydrophobicContact CZ2-CB 4.26Å; W299-C301 HydrophobicContact CZ3-CB 3.93Å; C301-I303 PolarHBondContact O-N 2.75Å; C301-C304 PolarHBondContact O-N 3.15Å; C301-A305 PolarHBondContact O-N 2.91Å
302	R	91.3	Very high	88.2	Confident	84 Å²	84	73 Å²	73	32%	0.317	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19	-170.2	-160.8	60.8	176.1	148.8	2	114.1	Y289 L306 W331	Y289-R302 WeakPolarHBondContact OH-CB 3.45Å; Y289-R302 PolarHBondContact OH-N 2.9Å; R302-L306 WeakPolarHBondContact O-CG 3.46Å; R302-W331 HydrophobicContact CB-CH2 4.43Å; R302-W331 HydrophobicContact CB-CZ3 4.39Å; R302-W331 HydrophobicContact CG-CH2 4Å; R302-W331 HydrophobicContact CG-CZ3 4.35Å
303	I	92.2	Very high	88.5	Confident	15 Å²	15	70.6 Å²	70.6	8%	0.077	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-55.3	171.4	-57.2	175.4	0	0	0	110	C301 A305 L306 G307 I308 P310 G320 M322 W331	C301-I303 PolarHBondContact O-N 2.75Å; I303-A305 PolarHBondContact O-N 3.43Å; I303-L306 CarbonylContact O-C 3.57Å; I303-L306 PolarHBondContact O-N 3.37Å; I303-L306 VanDerWaalsContact O-N 3.12Å; I303-G307 PolarHBondContact O-N 3.46Å; I303-I308 WeakPolarHBondContact CG2-O 3.41Å; I303-P310 HydrophobicContact CG1-CG 4.31Å; I303-P310 HydrophobicContact CG2-CG 4.33Å; I303-G320 WeakPolarHBondContact CD1-O 3.48Å; I303-M322 HydrophobicContact CD1-CB 3.86Å; I303-M322 HydrophobicContact CD1-CG 3.93Å; I303-M322 HydrophobicContact CD1-SD 4.02Å; I303-M322 HydrophobicContact CG1-CB 4.28Å; I303-W331 HydrophobicContact CG1-CE3 4.44Å; I303-W331 HydrophobicContact CG1-CZ3 4.09Å
304	C	91.8	Very high	89	Confident	17 Å²	17	62.2 Å²	62.2	12%	0.115	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.1	-40.6	-175.7	-71.5	0	0	0	0	112.9	K279 C280 L300 C301 L306 G307	K279-C304 HydrophobicContact CB-CB 3.96Å; K279-C304 HydrophobicContact CD-CB 4.08Å; K279-C304 HydrophobicContact CG-CB 4.21Å; C280-C304 PolarHBondContact SG-SG 3.44Å; L300-C304 HydrophobicContact CB-CB 4.38Å; L300-C304 HydrophobicContact CD2-CB 4.37Å; C301-C304 PolarHBondContact O-N 3.15Å; C304-L306 PolarHBondContact O-N 2.99Å; C304-G307 PolarHBondContact O-N 2.75Å
305	A	91.2	Very high	89.4	Confident	54 Å²	54	60.7 Å²	60.7	45%	0.446	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-64	-15	175.2	0	0	0	0	0	113.9	L300 C301 I303	L300-A305 HydrophobicContact CB-CB 4.08Å; C301-A305 PolarHBondContact O-N 2.91Å; I303-A305 PolarHBondContact O-N 3.43Å
306	L	89.1	Confident	89.8	Confident	80 Å²	80	60.5 Å²	60.5	42%	0.419	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-108.5	-0.1	174.3	-66.1	179.3	0	0	0	113.1	R302 I303 C304 I308 W331	R302-L306 WeakPolarHBondContact O-CG 3.46Å; I303-L306 CarbonylContact O-C 3.57Å; I303-L306 PolarHBondContact O-N 3.37Å; I303-L306 VanDerWaalsContact O-N 3.12Å; C304-L306 PolarHBondContact O-N 2.99Å; L306-I308 HydrophobicContact CB-CD1 4.4Å; L306-I308 HydrophobicContact CB-CG1 3.97Å; L306-I308 PolarHBondContact O-N 3.47Å; L306-I308 VanDerWaalsContact O-N 3.13Å; L306-W331 HydrophobicContact CD1-CH2 3.84Å; L306-W331 HydrophobicContact CD1-CZ2 3.77Å
307	G	88.8	Confident	90.5	Very high	59 Å²	59	51.7 Å²	51.7	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	9.5	177.1	0	0	0	0	0	116.4	I303 C304	I303-G307 PolarHBondContact O-N 3.46Å; C304-G307 PolarHBondContact O-N 2.75Å
308	I	89	Confident	90.9	Very high	73 Å²	73	57 Å²	57	37%	0.374	31%	0.306	S	S	.	.			trans	-99.1	164.6	-174	53.3	163.3	0	0	0	113	I303 L306 P310 W331	I303-I308 WeakPolarHBondContact CG2-O 3.41Å; L306-I308 HydrophobicContact CB-CD1 4.4Å; L306-I308 HydrophobicContact CB-CG1 3.97Å; L306-I308 PolarHBondContact O-N 3.47Å; L306-I308 VanDerWaalsContact O-N 3.13Å; I308-P310 HydrophobicContact CD1-CB 4.35Å; I308-P310 HydrophobicContact CD1-CG 4.08Å; I308-W331 HydrophobicContact CD1-CH2 4.21Å; I308-W331 HydrophobicContact CD1-CZ2 3.54Å
309	L	87.9	Confident	91	Very high	148 Å²	148	55.9 Å²	55.9	78%	0.775	30%	0.302	S	S	*	.			trans	-124.7	77.1	170.1	-168	72.1	0	0	0	111.2
310	P	91.2	Very high	90.9	Very high	19 Å²	19	55 Å²	55	12%	0.123	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.7	151.9	-174.6	31.1	-34	0	0	0	112.6	I303 I308 M322 W331	I303-P310 HydrophobicContact CG1-CG 4.31Å; I303-P310 HydrophobicContact CG2-CG 4.33Å; I308-P310 HydrophobicContact CD1-CB 4.35Å; I308-P310 HydrophobicContact CD1-CG 4.08Å; P310-M322 HydrophobicContact CG-SD 4.31Å; P310-W331 HydrophobicContact CB-CB 3.77Å; P310-W331 HydrophobicContact CB-CD2 4.01Å; P310-W331 HydrophobicContact CB-CG 3.53Å; P310-W331 HydrophobicContact CG-CB 4.18Å; P310-W331 HydrophobicContact CG-CD2 3.82Å; P310-W331 HydrophobicContact CG-CE3 4.03Å; P310-W331 HydrophobicContact CG-CG 3.86Å
311	K	91.9	Very high	91	Very high	167 Å²	167	51.8 Å²	51.8	73%	0.726	29%	0.286	S	S	*	.	B	Isolated β-bridge	trans	-90.3	148	168.2	-62.5	178.1	-175.6	175	0	109.8
312	C	94.6	Very high	91	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.095	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-71	136.5	172.3	-170.7	0	0	0	0	110.6	V314 C315 M322 W331 H333	C312-V314 VanDerWaalsContact C-N 3.3Å; C312-V314 PolarHBondContact O-N 2.89Å; C312-C315 WeakPolarHBondContact CB-O 3.22Å; C312-C315 VanDerWaalsContact SG-SG 3.69Å; C312-M322 VanDerWaalsContact CA-CE 3.44Å; C312-M322 HydrophobicContact CB-CE 3.68Å; C312-W331 CarbonylContact C-O 3.39Å; C312-W331 WeakPolarHBondContact CA-O 3.32Å; C312-H333 WeakPolarHBondContact CB-ND1 3.48Å; C312-H333 PolarHBondContact SG-ND1 2.84Å
313	Q	93.8	Very high	91.2	Very high	61 Å²	61	48.3 Å²	48.3	29%	0.285	27%	0.273	S	S	.	.	S	Bend	trans	-72.7	-23.5	177.2	-167.6	-173.5	-29.4	0	0	112.6	K330 W331 V332 V357 W365	Q313-K330 HydrophobicContact CG-CD 4.44Å; Q313-W331 PolarHBondContact N-O 3.17Å; Q313-V332 HydrophobicContact CB-CG2 3.92Å; Q313-V357 HydrophobicContact CG-CG1 4.43Å; Q313-W365 WeakPolarHBondContact O-CH2 3.36Å; Q313-W365 VanDerWaalsContact O-CZ3 3.31Å; Q313-W365 WeakPolarHBondContact O-CZ3 3.46Å
314	V	94.4	Very high	91.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	28%	0.275	C	S	.	.	S	Bend	trans	-117.3	0.9	-168.3	-63.2	0	0	0	0	114.5	C312 V332 C336 I340 V357 I360 W365 G377 A378	C312-V314 VanDerWaalsContact C-N 3.3Å; C312-V314 PolarHBondContact O-N 2.89Å; V314-V332 HydrophobicContact CG1-CG2 4.36Å; V314-V332 HydrophobicContact CG2-CB 4.5Å; V314-V332 HydrophobicContact CG2-CG1 3.66Å; V314-V332 HydrophobicContact CG2-CG2 4.18Å; V314-C336 HydrophobicContact CG2-CB 3.57Å; V314-I340 HydrophobicContact CB-CD1 3.98Å; V314-I340 HydrophobicContact CG1-CD1 4.44Å; V314-I340 HydrophobicContact CG2-CD1 3.99Å; V314-V357 HydrophobicContact CG1-CG1 3.72Å; V314-I360 HydrophobicContact CG1-CD1 3.64Å; V314-W365 HydrophobicContact CG1-CH2 3.88Å; V314-W365 HydrophobicContact CG1-CZ2 4.37Å; V314-G377 CarbonylContact O-C 3.56Å; V314-G377 WeakPolarHBondContact O-CA 3.45Å; V314-A378 HydrophobicContact CB-CB 4.33Å; V314-A378 PolarHBondContact O-N 2.61Å
315	C	94.1	Very high	91.3	Very high	4 Å²	4	48.2 Å²	48.2	3%	0.027	27%	0.274	C	S	.	.	S	Bend	trans	-155.5	165.2	171.6	79.8	0	0	0	0	110.9	C312 H333 T376 H392 T394	C312-C315 WeakPolarHBondContact CB-O 3.22Å; C312-C315 VanDerWaalsContact SG-SG 3.69Å; C315-H333 PolarHBondContact SG-ND1 3Å; C315-H333 VanDerWaalsContact SG-ND1 3.42Å; C315-T376 CarbonylContact C-O 3.55Å; C315-H392 HydrophobicContact CB-CB 4.09Å; C315-T394 PolarHBondContact SG-OG1 2.8Å
316	P	91.5	Very high	91.2	Very high	50 Å²	50	55.5 Å²	55.5	33%	0.325	29%	0.29	S	S	.	.	S	Bend	trans	-83.8	-7.9	-178	32.2	-35.3	0	0	0	114.6	K318 E374 T376 H392	P316-K318 PolarHBondContact O-N 3.29Å; P316-E374 WeakPolarHBondContact CB-OE2 3.48Å; P316-E374 VanDerWaalsContact CG-OE2 3.28Å; P316-E374 WeakPolarHBondContact CG-OE2 3.33Å; P316-T376 WeakPolarHBondContact CD-O 3.03Å; P316-H392 WeakPolarHBondContact CD-ND1 3.26Å
317	K	88.5	Confident	90.9	Very high	41 Å²	41	55.3 Å²	55.3	18%	0.178	30%	0.295	C	S	.	.			trans	-63.2	134.9	-179.1	179.9	-178.3	173.4	-169.6	0	110.5	D261 H333 T394 H398	D261-K317 IonicContact OD1-NZ 3.98Å; K317-H333 PolarHBondContact O-CE1 3.27Å; K317-T394 HydrophobicContact CB-CG2 4.46Å; K317-T394 HydrophobicContact CD-CG2 4.07Å; K317-H398 VanDerWaalsContact CE-CE1 3.45Å; K317-H398 WeakPolarHBondContact CE-CE1 3.25Å; K317-H398 PolarHBondContact NZ-NE2 2.8Å
318	K	88.1	Confident	90.7	Very high	158 Å²	158	54.6 Å²	54.6	69%	0.687	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-94.9	151.4	167.3	-55.4	177.3	-171.7	171.1	0	110	P316	P316-K318 PolarHBondContact O-N 3.29Å
319	G	86.8	Confident	90.4	Very high	27 Å²	27	56.3 Å²	56.3	28%	0.278	30%	0.301	S	S	.	.	S	Bend	trans	68.5	-178.4	175.7	0	0	0	0	0	115	H333	G319-H333 PolarHBondContact O-NE2 3.4Å
320	G	88.6	Confident	90.7	Very high	12 Å²	12	54.5 Å²	54.5	12%	0.124	29%	0.287	C	S	.	.	S	Bend	trans	82.8	-175.9	-172.8	0	0	0	0	0	113.8	I303 M322	I303-G320 WeakPolarHBondContact CD1-O 3.48Å; G320-M322 PolarHBondContact O-N 3.49Å; G320-M322 VanDerWaalsContact O-N 3.16Å
321	A	92.6	Very high	90.8	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.025	28%	0.284	C	S	.	.	S	Bend	trans	-68.2	107.3	-174.2	0	0	0	0	0	113.7	D261 V262 I282 V284 Y289 H333 V334	D261-A321 HydrophobicContact CB-CB 4.23Å; V262-A321 HydrophobicContact CG2-CB 3.57Å; I282-A321 HydrophobicContact CD1-CB 4.28Å; V284-A321 HydrophobicContact CG1-CB 3.82Å; Y289-A321 HydrophobicContact CD2-CB 4.05Å; Y289-A321 HydrophobicContact CE2-CB 4.12Å; A321-H333 VanDerWaalsContact O-CA 3.31Å; A321-H333 WeakPolarHBondContact O-CA 3.13Å; A321-V334 PolarHBondContact O-N 3.21Å
322	M	94.4	Very high	91	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156	177.9	-51.5	178.2	76.2	0	0	112.8	Y289 I303 P310 C312 G320 W331 V332 H333	Y289-M322 WeakPolarHBondContact CE2-O 3.24Å; Y289-M322 PolarHBondContact OH-O 3.33Å; I303-M322 HydrophobicContact CD1-CB 3.86Å; I303-M322 HydrophobicContact CD1-CG 3.93Å; I303-M322 HydrophobicContact CD1-SD 4.02Å; I303-M322 HydrophobicContact CG1-CB 4.28Å; P310-M322 HydrophobicContact CG-SD 4.31Å; C312-M322 VanDerWaalsContact CA-CE 3.44Å; C312-M322 HydrophobicContact CB-CE 3.68Å; G320-M322 PolarHBondContact O-N 3.49Å; G320-M322 VanDerWaalsContact O-N 3.16Å; M322-W331 HydrophobicContact CB-CE3 4.1Å; M322-W331 HydrophobicContact CE-CB 3.81Å; M322-V332 WeakPolarHBondContact CA-O 3.34Å; M322-V332 WeakPolarHBondContact CB-O 3.39Å; M322-H333 VanDerWaalsContact CG-CD2 3.46Å; M322-H333 WeakPolarHBondContact CG-CD2 3.35Å
323	K	94.7	Very high	91	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.043	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.9	174	-68.3	-78.9	-147.1	167	0	110.4	Y289 W331 V332 V334 K350 M351 E352 I354	Y289-K323 HydrophobicContact CE1-CD 4.4Å; Y289-K323 HydrophobicContact CE2-CD 4.05Å; Y289-K323 HydrophobicContact CE2-CG 4.08Å; Y289-K323 WeakPolarHBondContact O-CE 3.44Å; Y289-K323 PolarHBondContact O-NZ 3Å; Y289-K323 VanDerWaalsContact O-NZ 3.09Å; K323-W331 VanDerWaalsContact C-CE3 3.49Å; K323-V332 PolarHBondContact N-O 2.98Å; K323-V332 PolarHBondContact O-N 2.92Å; K323-V334 HydrophobicContact CB-CG2 4.44Å; K323-V334 HydrophobicContact CG-CG2 3.64Å; K323-K350 VanDerWaalsContact CE-O 3.27Å; K323-K350 WeakPolarHBondContact CE-O 3.27Å; K323-K350 PolarHBondContact NZ-O 2.91Å; K323-M351 WeakPolarHBondContact CG-O 3.35Å; K323-E352 HydrophobicContact CB-CB 4.47Å; K323-E352 HydrophobicContact CD-CB 4.03Å; K323-E352 WeakPolarHBondContact CD-OE2 3.29Å; K323-E352 WeakPolarHBondContact CE-OE2 3.42Å; K323-E352 HydrophobicContact CG-CB 4.49Å; K323-E352 IonicContact NZ-OE2 2.98Å; K323-E352 PolarHBondContact NZ-OE2 3.09Å; K323-I354 HydrophobicContact CB-CD1 3.86Å; K323-I354 HydrophobicContact CB-CG1 4.17Å
324	P	94.1	Very high	91.1	Very high	18 Å²	18	43 Å²	43	12%	0.117	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	149.9	175.7	30.2	-34.5	0	0	0	111.5	W331 P353 I354	P324-W331 HydrophobicContact CB-CD2 4.37Å; P324-W331 HydrophobicContact CB-CH2 4.2Å; P324-W331 HydrophobicContact CB-CZ2 3.93Å; P324-W331 HydrophobicContact CG-CH2 4.31Å; P324-W331 HydrophobicContact CG-CZ2 4.46Å; P324-P353 WeakPolarHBondContact O-CA 3.15Å; P324-I354 PolarHBondContact O-N 3.4Å
325	T	93.1	Very high	91	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-77.2	169.6	167.1	58.3	0	0	0	0	111.3	S327 G328 K330 V332 I354 V357	T325-S327 PolarHBondContact O-N 3.12Å; T325-S327 PolarHBondContact OG1-OG 3.31Å; T325-G328 PolarHBondContact O-N 3.43Å; T325-K330 WeakPolarHBondContact CB-O 3.25Å; T325-K330 HydrophobicContact CG2-CB 4.29Å; T325-K330 WeakPolarHBondContact CG2-O 3.39Å; T325-K330 PolarHBondContact N-O 3.25Å; T325-K330 PolarHBondContact OG1-O 3.22Å; T325-V332 HydrophobicContact CG2-CG2 4.26Å; T325-I354 CarbonylContact C-O 3.5Å; T325-I354 WeakPolarHBondContact CA-O 3.45Å; T325-I354 WeakPolarHBondContact CB-O 3.42Å; T325-I354 HydrophobicContact CG2-CB 4.23Å; T325-I354 HydrophobicContact CG2-CG2 4.36Å; T325-V357 HydrophobicContact CG2-CG2 4.06Å
326	R	88.6	Confident	91.1	Very high	207 Å²	207	43 Å²	43	78%	0.781	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-19.1	-178.8	-161.6	-179.5	71.2	-164.4	-1.1	115.2	P353 I354 T355	R326-P353 HydrophobicContact CB-CG 4.38Å; R326-P353 HydrophobicContact CG-CG 4.4Å; R326-I354 PolarHBondContact N-O 2.78Å; R326-T355 HydrophobicContact CB-CG2 4.42Å
327	S	82.9	Confident	91.2	Very high	75 Å²	75	40.9 Å²	40.9	52%	0.524	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-3.2	175.4	63.3	0	0	0	0	114.3	T325 T329	T325-S327 PolarHBondContact O-N 3.12Å; T325-S327 PolarHBondContact OG1-OG 3.31Å; S327-T329 PolarHBondContact O-N 3.34Å; S327-T329 PolarHBondContact OG-OG1 3.37Å
328	G	83.1	Confident	91.4	Very high	44 Å²	44	41.5 Å²	41.5	45%	0.454	22%	0.224	S	C	.	.	S	Bend	trans	70.2	-29.4	-172.9	0	0	0	0	0	114.9	T325 W331	T325-G328 PolarHBondContact O-N 3.43Å; G328-W331 PolarHBondContact O-NE1 3.25Å
329	T	84.4	Confident	91.6	Very high	109 Å²	109	35 Å²	35	67%	0.669	20%	0.195	S	C	*	.	S	Bend	trans	-78.4	-30.1	-171.8	49.5	0	0	0	0	115.5	S327	S327-T329 PolarHBondContact O-N 3.34Å; S327-T329 PolarHBondContact OG-OG1 3.37Å
330	K	92.4	Very high	92	Very high	111 Å²	111	33.8 Å²	33.8	48%	0.483	18%	0.182	S	C	.	.			trans	-111.6	148	-178.8	-55.5	-170.8	-176.6	-175.1	0	111.1	Q313 T325	Q313-K330 HydrophobicContact CG-CD 4.44Å; T325-K330 WeakPolarHBondContact CB-O 3.25Å; T325-K330 HydrophobicContact CG2-CB 4.29Å; T325-K330 WeakPolarHBondContact CG2-O 3.39Å; T325-K330 PolarHBondContact N-O 3.25Å; T325-K330 PolarHBondContact OG1-O 3.22Å
331	W	94.7	Very high	92	Very high	16 Å²	16	37.2 Å²	37.2	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.2	-169.5	-72.5	75.8	0	0	0	111.4	R302 I303 L306 I308 P310 C312 Q313 M322 K323 P324 G328	R302-W331 HydrophobicContact CB-CH2 4.43Å; R302-W331 HydrophobicContact CB-CZ3 4.39Å; R302-W331 HydrophobicContact CG-CH2 4Å; R302-W331 HydrophobicContact CG-CZ3 4.35Å; I303-W331 HydrophobicContact CG1-CE3 4.44Å; I303-W331 HydrophobicContact CG1-CZ3 4.09Å; L306-W331 HydrophobicContact CD1-CH2 3.84Å; L306-W331 HydrophobicContact CD1-CZ2 3.77Å; I308-W331 HydrophobicContact CD1-CH2 4.21Å; I308-W331 HydrophobicContact CD1-CZ2 3.54Å; P310-W331 HydrophobicContact CB-CB 3.77Å; P310-W331 HydrophobicContact CB-CD2 4.01Å; P310-W331 HydrophobicContact CB-CG 3.53Å; P310-W331 HydrophobicContact CG-CB 4.18Å; P310-W331 HydrophobicContact CG-CD2 3.82Å; P310-W331 HydrophobicContact CG-CE3 4.03Å; P310-W331 HydrophobicContact CG-CG 3.86Å; C312-W331 CarbonylContact C-O 3.39Å; C312-W331 WeakPolarHBondContact CA-O 3.32Å; Q313-W331 PolarHBondContact N-O 3.17Å; M322-W331 HydrophobicContact CB-CE3 4.1Å; M322-W331 HydrophobicContact CE-CB 3.81Å; K323-W331 VanDerWaalsContact C-CE3 3.49Å; P324-W331 HydrophobicContact CB-CD2 4.37Å; P324-W331 HydrophobicContact CB-CH2 4.2Å; P324-W331 HydrophobicContact CB-CZ2 3.93Å; P324-W331 HydrophobicContact CG-CH2 4.31Å; P324-W331 HydrophobicContact CG-CZ2 4.46Å; G328-W331 PolarHBondContact O-NE1 3.25Å
332	V	95.7	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.3	-178.5	170.3	0	0	0	0	109.3	Q313 V314 M322 K323 T325 C336 A337 I354 V357	Q313-V332 HydrophobicContact CB-CG2 3.92Å; V314-V332 HydrophobicContact CG1-CG2 4.36Å; V314-V332 HydrophobicContact CG2-CB 4.5Å; V314-V332 HydrophobicContact CG2-CG1 3.66Å; V314-V332 HydrophobicContact CG2-CG2 4.18Å; M322-V332 WeakPolarHBondContact CA-O 3.34Å; M322-V332 WeakPolarHBondContact CB-O 3.39Å; K323-V332 PolarHBondContact N-O 2.98Å; K323-V332 PolarHBondContact O-N 2.92Å; T325-V332 HydrophobicContact CG2-CG2 4.26Å; V332-C336 HydrophobicContact CG1-CB 3.93Å; V332-A337 HydrophobicContact CG1-CB 4.25Å; V332-I354 HydrophobicContact CB-CD1 3.71Å; V332-I354 HydrophobicContact CB-CG2 4.22Å; V332-I354 HydrophobicContact CG1-CD1 3.98Å; V332-I354 HydrophobicContact CG1-CG2 4.35Å; V332-I354 WeakPolarHBondContact O-CD1 3.25Å; V332-V357 HydrophobicContact CG2-CG2 4.27Å
333	H	95	Very high	92	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	141.1	171.2	-66.1	102.2	0	0	0	111.1	C312 C315 K317 G319 A321 M322 S335 C336 A337 T394	C312-H333 WeakPolarHBondContact CB-ND1 3.48Å; C312-H333 PolarHBondContact SG-ND1 2.84Å; C315-H333 PolarHBondContact SG-ND1 3Å; C315-H333 VanDerWaalsContact SG-ND1 3.42Å; K317-H333 PolarHBondContact O-CE1 3.27Å; G319-H333 PolarHBondContact O-NE2 3.4Å; A321-H333 VanDerWaalsContact O-CA 3.31Å; A321-H333 WeakPolarHBondContact O-CA 3.13Å; M322-H333 VanDerWaalsContact CG-CD2 3.46Å; M322-H333 WeakPolarHBondContact CG-CD2 3.35Å; H333-S335 VanDerWaalsContact C-N 3.29Å; H333-S335 PolarHBondContact O-N 3.11Å; H333-C336 HydrophobicContact CB-CB 3.96Å; H333-C336 WeakPolarHBondContact O-CB 3.33Å; H333-C336 PolarHBondContact O-N 3.18Å; H333-C336 VanDerWaalsContact O-N 3.11Å; H333-A337 PolarHBondContact O-N 3.18Å; H333-T394 HydrophobicContact CB-CG2 4.45Å
334	V	94.8	Very high	91.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-61	-42.5	177.7	-173.6	0	0	0	0	110.5	V262 Y289 A321 K323 C336 A337 L338 M351	V262-V334 HydrophobicContact CG1-CB 4.24Å; V262-V334 HydrophobicContact CG1-CG1 4.11Å; V262-V334 HydrophobicContact CG2-CB 4.28Å; Y289-V334 HydrophobicContact CD2-CG2 3.93Å; Y289-V334 HydrophobicContact CE2-CG2 4.06Å; A321-V334 PolarHBondContact O-N 3.21Å; K323-V334 HydrophobicContact CB-CG2 4.44Å; K323-V334 HydrophobicContact CG-CG2 3.64Å; V334-C336 PolarHBondContact O-N 2.94Å; V334-A337 PolarHBondContact O-N 2.81Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.46Å; V334-M351 HydrophobicContact CG1-CB 4.39Å; V334-M351 HydrophobicContact CG1-SD 4.46Å
335	S	93.6	Very high	91.8	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	22%	0.223	C	C	.	.	H	α-helix	trans	-58.3	-43.7	172.8	50.6	0	0	0	0	112.9	H333 A337 L338 W339	H333-S335 VanDerWaalsContact C-N 3.29Å; H333-S335 PolarHBondContact O-N 3.11Å; S335-A337 VanDerWaalsContact C-N 3.27Å; S335-A337 PolarHBondContact O-N 3.38Å; S335-L338 PolarHBondContact O-N 3.39Å; S335-W339 VanDerWaalsContact O-CD1 3.28Å; S335-W339 PolarHBondContact O-N 3.48Å; S335-W339 VanDerWaalsContact O-N 3.09Å
336	C	94.6	Very high	91.5	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-33.8	173.2	-76.4	0	0	0	0	113.5	V314 V332 H333 V334 I340	V314-C336 HydrophobicContact CG2-CB 3.57Å; V332-C336 HydrophobicContact CG1-CB 3.93Å; H333-C336 HydrophobicContact CB-CB 3.96Å; H333-C336 WeakPolarHBondContact O-CB 3.33Å; H333-C336 PolarHBondContact O-N 3.18Å; H333-C336 VanDerWaalsContact O-N 3.11Å; V334-C336 PolarHBondContact O-N 2.94Å; C336-I340 HydrophobicContact CB-CD1 4.49Å; C336-I340 WeakPolarHBondContact O-CB 3.47Å; C336-I340 WeakPolarHBondContact O-CD1 3.38Å; C336-I340 VanDerWaalsContact O-CG1 3.28Å; C336-I340 WeakPolarHBondContact O-CG1 3.41Å; C336-I340 PolarHBondContact O-N 2.86Å
337	A	94.5	Very high	91.6	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	22%	0.218	C	C	.	.	H	α-helix	trans	-76.1	-26.8	178.6	0	0	0	0	0	113.7	V332 H333 V334 S335 V343 I345 I354	V332-A337 HydrophobicContact CG1-CB 4.25Å; H333-A337 PolarHBondContact O-N 3.18Å; V334-A337 PolarHBondContact O-N 2.81Å; S335-A337 VanDerWaalsContact C-N 3.27Å; S335-A337 PolarHBondContact O-N 3.38Å; A337-V343 HydrophobicContact CB-CG1 3.69Å; A337-I345 HydrophobicContact CB-CD1 4.43Å; A337-I345 HydrophobicContact CB-CG1 4.26Å; A337-I354 HydrophobicContact CB-CD1 3.88Å; A337-I354 HydrophobicContact CB-CG1 4.13Å; A337-I354 HydrophobicContact CB-CG2 4.03Å
338	L	91.8	Very high	91.7	Very high	54 Å²	54	34.8 Å²	34.8	28%	0.283	21%	0.212	S	C	.	.	H	α-helix	trans	-76.6	-41.2	174.3	-67.2	168.1	0	0	0	112.2	V262 V334 S335 I345 F415	V262-L338 HydrophobicContact CG1-CD1 3.98Å; V334-L338 HydrophobicContact CG1-CD1 4.27Å; V334-L338 WeakPolarHBondContact O-CG 3.42Å; V334-L338 PolarHBondContact O-N 3.46Å; S335-L338 PolarHBondContact O-N 3.39Å; L338-I345 HydrophobicContact CD2-CD1 3.81Å; L338-I345 HydrophobicContact CG-CD1 4.29Å; L338-F415 HydrophobicContact CB-CE1 4.27Å; L338-F415 HydrophobicContact CB-CZ 4.38Å
339	W	93.4	Very high	91.9	Very high	23 Å²	23	38.7 Å²	38.7	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-90.4	-13.5	-170.6	-78.1	93.9	0	0	0	115.5	S335 P341 I380 V393 M403 T405 F415 K416	S335-W339 VanDerWaalsContact O-CD1 3.28Å; S335-W339 PolarHBondContact O-N 3.48Å; S335-W339 VanDerWaalsContact O-N 3.09Å; W339-P341 WeakPolarHBondContact O-CD 3.39Å; W339-I380 WeakPolarHBondContact O-CG2 3.39Å; W339-V393 HydrophobicContact CB-CB 4.18Å; W339-V393 HydrophobicContact CB-CG1 3.49Å; W339-V393 VanDerWaalsContact CB-CG1 3.49Å; W339-V393 HydrophobicContact CB-CG2 3.58Å; W339-V393 HydrophobicContact CG-CG1 3.66Å; W339-M403 HydrophobicContact CD2-CE 3.41Å; W339-M403 VanDerWaalsContact CD2-CE 3.41Å; W339-M403 HydrophobicContact CE3-CE 3.6Å; W339-M403 HydrophobicContact CG-CE 3.95Å; W339-M403 HydrophobicContact CH2-CB 3.68Å; W339-M403 HydrophobicContact CH2-CE 4.15Å; W339-M403 HydrophobicContact CH2-CG 4.45Å; W339-M403 WeakPolarHBondContact CH2-O 3.49Å; W339-M403 HydrophobicContact CZ2-CB 3.8Å; W339-M403 HydrophobicContact CZ2-CE 3.94Å; W339-M403 WeakPolarHBondContact CZ2-O 3.13Å; W339-M403 HydrophobicContact CZ3-CB 4.29Å; W339-M403 HydrophobicContact CZ3-CE 3.96Å; W339-T405 HydrophobicContact CZ2-CG2 4.42Å; W339-F415 HydrophobicContact CD2-CB 4.5Å; W339-F415 AromaticContact CD2-CD1 3.82Å; W339-F415 HydrophobicContact CD2-CD1 3.82Å; W339-F415 AromaticContact CE2-CD1 3.79Å; W339-F415 HydrophobicContact CE3-CB 3.8Å; W339-F415 AromaticContact CE3-CD1 3.97Å; W339-F415 HydrophobicContact CE3-CD1 3.97Å; W339-F415 HydrophobicContact CE3-CG 4.32Å; W339-F415 HydrophobicContact CG-CD1 4.4Å; W339-F415 HydrophobicContact CH2-CB 4.19Å; W339-F415 AromaticContact CH2-CD1 3.95Å; W339-F415 HydrophobicContact CH2-CD1 3.95Å; W339-F415 AromaticContact CZ2-CD1 3.87Å; W339-F415 HydrophobicContact CZ2-CD1 3.87Å; W339-F415 HydrophobicContact CZ3-CB 3.64Å; W339-F415 HydrophobicContact CZ3-CD1 4.04Å; W339-F415 HydrophobicContact CZ3-CG 4.35Å; W339-K416 WeakPolarHBondContact CH2-O 3.41Å; W339-K416 WeakPolarHBondContact CZ3-O 3.32Å
340	I	94.1	Very high	92	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.205	C	C	.	.	S	Bend	trans	-95.7	110.2	175.2	-60.9	169.6	0	0	0	108.6	V314 C336 E342 V343 I360 A378 I380 V393	V314-I340 HydrophobicContact CB-CD1 3.98Å; V314-I340 HydrophobicContact CG1-CD1 4.44Å; V314-I340 HydrophobicContact CG2-CD1 3.99Å; C336-I340 HydrophobicContact CB-CD1 4.49Å; C336-I340 WeakPolarHBondContact O-CB 3.47Å; C336-I340 WeakPolarHBondContact O-CD1 3.38Å; C336-I340 VanDerWaalsContact O-CG1 3.28Å; C336-I340 WeakPolarHBondContact O-CG1 3.41Å; C336-I340 PolarHBondContact O-N 2.86Å; I340-E342 WeakPolarHBondContact CG2-OE2 3.41Å; I340-E342 PolarHBondContact O-N 2.9Å; I340-V343 HydrophobicContact CB-CB 4.37Å; I340-V343 HydrophobicContact CB-CG2 3.85Å; I340-V343 HydrophobicContact CG2-CG2 3.78Å; I340-V343 PolarHBondContact O-N 3.37Å; I340-I360 HydrophobicContact CG2-CD1 4.16Å; I340-I360 HydrophobicContact CG2-CG1 4.1Å; I340-I360 HydrophobicContact CG2-CG2 4.47Å; I340-A378 HydrophobicContact CD1-CB 4.13Å; I340-I380 HydrophobicContact CG1-CG2 4.09Å; I340-V393 HydrophobicContact CD1-CG2 4.47Å; I340-V393 HydrophobicContact CG1-CG2 3.96Å
341	P	89.7	Confident	91.8	Very high	84 Å²	84	33.3 Å²	33.3	55%	0.545	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22.4	-167.5	-26.4	35.9	0	0	0	116.1	W339	W339-P341 WeakPolarHBondContact O-CD 3.39Å
342	E	93	Very high	91.6	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.224	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-5.9	179.1	-51	87.1	174.9	0	0	113.6	I340 N356 R364	I340-E342 WeakPolarHBondContact CG2-OE2 3.41Å; I340-E342 PolarHBondContact O-N 2.9Å; E342-N356 WeakPolarHBondContact O-CB 3.47Å; E342-R364 VanDerWaalsContact CD-NE 3.26Å; E342-R364 IonicContact OE1-CZ 3.58Å; E342-R364 VanDerWaalsContact OE1-CZ 3.25Å; E342-R364 IonicContact OE1-NE 2.79Å; E342-R364 PolarHBondContact OE1-NE 3.07Å; E342-R364 IonicContact OE1-NH2 3.59Å; E342-R364 PolarHBondContact OE1-NH2 3.38Å; E342-R364 IonicContact OE2-CZ 2.68Å; E342-R364 IonicContact OE2-NE 3.53Å; E342-R364 PolarHBondContact OE2-NE 2.78Å; E342-R364 IonicContact OE2-NH2 3.04Å
343	V	93.9	Very high	91.4	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.03	21%	0.211	C	C	.	.			trans	-84.6	153.3	169.9	-177.2	0	0	0	0	108.8	A337 I340 I354 V357 I360	A337-V343 HydrophobicContact CB-CG1 3.69Å; I340-V343 HydrophobicContact CB-CB 4.37Å; I340-V343 HydrophobicContact CB-CG2 3.85Å; I340-V343 HydrophobicContact CG2-CG2 3.78Å; I340-V343 PolarHBondContact O-N 3.37Å; V343-I354 HydrophobicContact CG1-CG2 3.67Å; V343-V357 HydrophobicContact CG1-CG2 4.29Å; V343-I360 HydrophobicContact CG2-CD1 3.55Å; V343-I360 HydrophobicContact CG2-CG1 3.79Å
344	S	90.9	Very high	91.3	Very high	24 Å²	24	37.4 Å²	37.4	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	146.5	178.4	-42.9	0	0	0	0	111.1	T355 N356	S344-T355 PolarHBondContact N-O 3.47Å; S344-T355 VanDerWaalsContact N-O 3.13Å; S344-T355 CarbonylContact O-C 3.27Å; S344-T355 WeakPolarHBondContact O-CA 3.38Å; S344-T355 WeakPolarHBondContact O-CB 3.22Å; S344-T355 PolarHBondContact O-N 3.25Å; S344-T355 PolarHBondContact O-OG1 3.46Å; S344-N356 WeakPolarHBondContact CB-ND2 3.33Å; S344-N356 PolarHBondContact OG-ND2 3.17Å
345	I	92.5	Very high	91.2	Very high	37 Å²	37	38.5 Å²	38.5	19%	0.19	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.2	179.6	-67.1	176.3	0	0	0	108.7	A337 L338 N347 M351	A337-I345 HydrophobicContact CB-CD1 4.43Å; A337-I345 HydrophobicContact CB-CG1 4.26Å; L338-I345 HydrophobicContact CD2-CD1 3.81Å; L338-I345 HydrophobicContact CG-CD1 4.29Å; I345-N347 WeakPolarHBondContact CG2-O 3.45Å; I345-M351 HydrophobicContact CD1-SD 3.7Å; I345-M351 HydrophobicContact CG2-SD 4.34Å
346	G	88.7	Confident	91.1	Very high	47 Å²	47	41.1 Å²	41.1	49%	0.485	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	-39.9	-169.2	0	0	0	0	0	114.7	P353	G346-P353 PolarHBondContact N-O 2.95Å
347	N	89.3	Confident	90.9	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	118.7	163.7	178.1	-15	0	0	0	108.1	I345 E349 K350 M351 E352	I345-N347 WeakPolarHBondContact CG2-O 3.45Å; N347-E349 PolarHBondContact O-N 2.98Å; N347-E349 WeakPolarHBondContact OD1-CB 3.31Å; N347-E349 PolarHBondContact OD1-N 2.86Å; N347-K350 PolarHBondContact O-N 3.47Å; N347-M351 PolarHBondContact O-N 3.44Å; N347-M351 VanDerWaalsContact O-N 3.08Å; N347-E352 WeakPolarHBondContact CB-O 3.36Å; N347-E352 PolarHBondContact N-O 3.25Å; N347-E352 PolarHBondContact O-N 2.85Å
348	P	85.9	Confident	90.7	Very high	62 Å²	62	46.5 Å²	46.5	40%	0.403	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-38.1	179.9	24.5	-32.8	0	0	0	113.4	K350 M351 F832	P348-K350 PolarHBondContact O-N 2.92Å; P348-M351 PolarHBondContact O-N 3.23Å; P348-F832 HydrophobicContact CB-CD2 4.45Å; P348-F832 HydrophobicContact CB-CE2 3.87Å
349	E	86.8	Confident	90.6	Very high	127 Å²	127	50 Å²	50	59%	0.593	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-31.7	-178.3	-58.8	172.2	-177.9	0	0	112.9	G290 Q292 N347	G290-E349 CarbonylContact C-O 3.54Å; G290-E349 WeakPolarHBondContact CA-O 3.32Å; Q292-E349 PolarHBondContact NE2-OE2 2.74Å; N347-E349 PolarHBondContact O-N 2.98Å; N347-E349 WeakPolarHBondContact OD1-CB 3.31Å; N347-E349 PolarHBondContact OD1-N 2.86Å
350	K	86.4	Confident	90.6	Very high	85 Å²	85	49.3 Å²	49.3	37%	0.37	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-3.5	-178.8	-58.6	-166.3	176.4	-153.4	0	112.8	Q292 K323 N347 P348 E352	Q292-K350 HydrophobicContact CG-CG 4.35Å; Q292-K350 VanDerWaalsContact NE2-CE 3.35Å; K323-K350 VanDerWaalsContact CE-O 3.27Å; K323-K350 WeakPolarHBondContact CE-O 3.27Å; K323-K350 PolarHBondContact NZ-O 2.91Å; N347-K350 PolarHBondContact O-N 3.47Å; P348-K350 PolarHBondContact O-N 2.92Å; K350-E352 HydrophobicContact CB-CG 3.96Å; K350-E352 WeakPolarHBondContact O-CG 3.45Å; K350-E352 PolarHBondContact O-N 3.17Å; K350-E352 VanDerWaalsContact O-N 3.07Å
351	M	89.3	Confident	90.6	Very high	22 Å²	22	51.7 Å²	51.7	11%	0.108	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	48	27.1	-169.9	-66.5	-66.1	176.9	0	0	114.2	A287 K323 V334 I345 N347 P348	A287-M351 VanDerWaalsContact O-CE 3.25Å; A287-M351 WeakPolarHBondContact O-CE 3.31Å; K323-M351 WeakPolarHBondContact CG-O 3.35Å; V334-M351 HydrophobicContact CG1-CB 4.39Å; V334-M351 HydrophobicContact CG1-SD 4.46Å; I345-M351 HydrophobicContact CD1-SD 3.7Å; I345-M351 HydrophobicContact CG2-SD 4.34Å; N347-M351 PolarHBondContact O-N 3.44Å; N347-M351 VanDerWaalsContact O-N 3.08Å; P348-M351 PolarHBondContact O-N 3.23Å
352	E	88.7	Confident	90.7	Very high	54 Å²	54	52.3 Å²	52.3	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	160.4	-173.9	75.9	-179.2	-136.1	0	0	113.1	K323 N347 K350	K323-E352 HydrophobicContact CB-CB 4.47Å; K323-E352 HydrophobicContact CD-CB 4.03Å; K323-E352 WeakPolarHBondContact CD-OE2 3.29Å; K323-E352 WeakPolarHBondContact CE-OE2 3.42Å; K323-E352 HydrophobicContact CG-CB 4.49Å; K323-E352 IonicContact NZ-OE2 2.98Å; K323-E352 PolarHBondContact NZ-OE2 3.09Å; N347-E352 WeakPolarHBondContact CB-O 3.36Å; N347-E352 PolarHBondContact N-O 3.25Å; N347-E352 PolarHBondContact O-N 2.85Å; K350-E352 HydrophobicContact CB-CG 3.96Å; K350-E352 WeakPolarHBondContact O-CG 3.45Å; K350-E352 PolarHBondContact O-N 3.17Å; K350-E352 VanDerWaalsContact O-N 3.07Å
353	P	91.7	Very high	90.7	Very high	48 Å²	48	56.2 Å²	56.2	31%	0.312	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-72.6	161.5	-14.3	33.1	-36	0	0	0	111.3	P324 R326 G346 T355	P324-P353 WeakPolarHBondContact O-CA 3.15Å; R326-P353 HydrophobicContact CB-CG 4.38Å; R326-P353 HydrophobicContact CG-CG 4.4Å; G346-P353 PolarHBondContact N-O 2.95Å; P353-T355 HydrophobicContact CG-CG2 4.37Å
354	I	94.4	Very high	90.7	Very high	2 Å²	2	58 Å²	58	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.3	171.7	-63	172.9	0	0	0	109.4	K323 P324 T325 R326 V332 A337 V343 V357	K323-I354 HydrophobicContact CB-CD1 3.86Å; K323-I354 HydrophobicContact CB-CG1 4.17Å; P324-I354 PolarHBondContact O-N 3.4Å; T325-I354 CarbonylContact C-O 3.5Å; T325-I354 WeakPolarHBondContact CA-O 3.45Å; T325-I354 WeakPolarHBondContact CB-O 3.42Å; T325-I354 HydrophobicContact CG2-CB 4.23Å; T325-I354 HydrophobicContact CG2-CG2 4.36Å; R326-I354 PolarHBondContact N-O 2.78Å; V332-I354 HydrophobicContact CB-CD1 3.71Å; V332-I354 HydrophobicContact CB-CG2 4.22Å; V332-I354 HydrophobicContact CG1-CD1 3.98Å; V332-I354 HydrophobicContact CG1-CG2 4.35Å; V332-I354 WeakPolarHBondContact O-CD1 3.25Å; A337-I354 HydrophobicContact CB-CD1 3.88Å; A337-I354 HydrophobicContact CB-CG1 4.13Å; A337-I354 HydrophobicContact CB-CG2 4.03Å; V343-I354 HydrophobicContact CG1-CG2 3.67Å; I354-V357 HydrophobicContact CG2-CG2 3.78Å
355	T	92.3	Very high	90.8	Very high	24 Å²	24	60.8 Å²	60.8	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	173.3	-173	71	0	0	0	0	111.4	R326 S344 P353 V357	R326-T355 HydrophobicContact CB-CG2 4.42Å; S344-T355 PolarHBondContact N-O 3.47Å; S344-T355 VanDerWaalsContact N-O 3.13Å; S344-T355 CarbonylContact O-C 3.27Å; S344-T355 WeakPolarHBondContact O-CA 3.38Å; S344-T355 WeakPolarHBondContact O-CB 3.22Å; S344-T355 PolarHBondContact O-N 3.25Å; S344-T355 PolarHBondContact O-OG1 3.46Å; P353-T355 HydrophobicContact CG-CG2 4.37Å; T355-V357 PolarHBondContact O-N 2.87Å
356	N	90.9	Very high	90.8	Very high	58 Å²	58	61.7 Å²	61.7	31%	0.31	35%	0.351	S	S	.	.			trans	57.7	9.6	176.2	-57.6	-19.1	0	0	0	117	E342 S344 S358 H359	E342-N356 WeakPolarHBondContact O-CB 3.47Å; S344-N356 WeakPolarHBondContact CB-ND2 3.33Å; S344-N356 PolarHBondContact OG-ND2 3.17Å; N356-S358 PolarHBondContact O-N 3.23Å; N356-H359 HydrophobicContact CB-CB 4.47Å; N356-H359 WeakPolarHBondContact O-CA 3.34Å; N356-H359 WeakPolarHBondContact O-CB 3.35Å; N356-H359 PolarHBondContact O-N 3Å
357	V	91.1	Very high	91.1	Very high	12 Å²	12	61.4 Å²	61.4	7%	0.073	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-55.2	-25.5	173.1	-169.3	0	0	0	0	112.9	Q313 V314 T325 V332 V343 I354 T355 H359 I360	Q313-V357 HydrophobicContact CG-CG1 4.43Å; V314-V357 HydrophobicContact CG1-CG1 3.72Å; T325-V357 HydrophobicContact CG2-CG2 4.06Å; V332-V357 HydrophobicContact CG2-CG2 4.27Å; V343-V357 HydrophobicContact CG1-CG2 4.29Å; I354-V357 HydrophobicContact CG2-CG2 3.78Å; T355-V357 PolarHBondContact O-N 2.87Å; V357-H359 VanDerWaalsContact C-N 3.35Å; V357-I360 HydrophobicContact CG1-CD1 3.9Å; V357-I360 WeakPolarHBondContact O-CD1 3.48Å; V357-I360 WeakPolarHBondContact O-CG1 3.31Å
358	S	89	Confident	91.3	Very high	107 Å²	107	63.8 Å²	63.8	75%	0.748	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-80	-6.7	173.3	52.8	0	0	0	0	115.1	N356	N356-S358 PolarHBondContact O-N 3.23Å
359	H	91.3	Very high	91.8	Very high	127 Å²	127	60.9 Å²	60.9	59%	0.588	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-96.1	-7.3	175.2	-63.9	-179.6	0	0	0	112.6	N356 V357 P361	N356-H359 HydrophobicContact CB-CB 4.47Å; N356-H359 WeakPolarHBondContact O-CA 3.34Å; N356-H359 WeakPolarHBondContact O-CB 3.35Å; N356-H359 PolarHBondContact O-N 3Å; V357-H359 VanDerWaalsContact C-N 3.35Å; H359-P361 WeakPolarHBondContact O-CD 3.25Å; H359-P361 VanDerWaalsContact O-N 3.15Å
360	I	93.5	Very high	92.1	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.046	31%	0.314	C	S	.	.	S	Bend	trans	-58.3	115.6	173.1	-58	175.4	0	0	0	108.7	V314 I340 V343 V357 R364 W365 A378	V314-I360 HydrophobicContact CG1-CD1 3.64Å; I340-I360 HydrophobicContact CG2-CD1 4.16Å; I340-I360 HydrophobicContact CG2-CG1 4.1Å; I340-I360 HydrophobicContact CG2-CG2 4.47Å; V343-I360 HydrophobicContact CG2-CD1 3.55Å; V343-I360 HydrophobicContact CG2-CG1 3.79Å; V357-I360 HydrophobicContact CG1-CD1 3.9Å; V357-I360 WeakPolarHBondContact O-CD1 3.48Å; V357-I360 WeakPolarHBondContact O-CG1 3.31Å; I360-R364 HydrophobicContact CG2-CB 3.96Å; I360-R364 HydrophobicContact CG2-CG 4.48Å; I360-W365 HydrophobicContact CB-CZ2 4.24Å; I360-W365 HydrophobicContact CD1-CZ2 3.94Å; I360-W365 HydrophobicContact CG2-CZ2 4.32Å; I360-W365 VanDerWaalsContact CG2-NE1 3.34Å; I360-W365 PolarHBondContact O-NE1 3.38Å; I360-A378 HydrophobicContact CD1-CB 4.28Å; I360-A378 HydrophobicContact CG2-CB 3.76Å
361	P	93.5	Very high	92.4	Very high	51 Å²	51	55 Å²	55	33%	0.331	31%	0.31	S	S	.	.			trans	-68.6	144.2	-171.3	26.6	-34.4	0	0	0	111.4	H359 N363 R364	H359-P361 WeakPolarHBondContact O-CD 3.25Å; H359-P361 VanDerWaalsContact O-N 3.15Å; P361-N363 PolarHBondContact O-N 3.03Å; P361-R364 HydrophobicContact CG-CG 4.28Å; P361-R364 PolarHBondContact O-N 2.94Å
362	S	92.4	Very high	92.5	Very high	98 Å²	98	56.3 Å²	56.3	69%	0.685	32%	0.32	S	S	*	.	H	α-helix	trans	-49.1	-30.4	-176.6	-47.6	0	0	0	0	114.1	R364 W365 A366	S362-R364 VanDerWaalsContact C-N 3.32Å; S362-R364 PolarHBondContact O-N 2.85Å; S362-W365 PolarHBondContact O-N 3.28Å; S362-A366 PolarHBondContact O-N 2.96Å
363	N	92.5	Very high	92.7	Very high	129 Å²	129	61 Å²	61	69%	0.69	34%	0.34	S	S	*	.	H	α-helix	trans	-57.5	-39.6	175.5	-65.9	-2	0	0	0	112.8	P361 W365 A366 L367	P361-N363 PolarHBondContact O-N 3.03Å; N363-W365 VanDerWaalsContact C-N 3.31Å; N363-W365 PolarHBondContact O-N 3.03Å; N363-A366 PolarHBondContact O-N 3.44Å; N363-A366 VanDerWaalsContact O-N 3.13Å; N363-L367 WeakPolarHBondContact O-CG 3.43Å; N363-L367 PolarHBondContact O-N 3.25Å
364	R	93.3	Very high	92.6	Very high	43 Å²	43	62.9 Å²	62.9	16%	0.162	34%	0.344	C	S	.	.	H	α-helix	trans	-68.3	-30.9	178.6	-67.6	-167.3	-167.8	-72.9	-1.8	113	E342 I360 P361 S362 A366 A378 C379	E342-R364 VanDerWaalsContact CD-NE 3.26Å; E342-R364 IonicContact OE1-CZ 3.58Å; E342-R364 VanDerWaalsContact OE1-CZ 3.25Å; E342-R364 IonicContact OE1-NE 2.79Å; E342-R364 PolarHBondContact OE1-NE 3.07Å; E342-R364 IonicContact OE1-NH2 3.59Å; E342-R364 PolarHBondContact OE1-NH2 3.38Å; E342-R364 IonicContact OE2-CZ 2.68Å; E342-R364 IonicContact OE2-NE 3.53Å; E342-R364 PolarHBondContact OE2-NE 2.78Å; E342-R364 IonicContact OE2-NH2 3.04Å; I360-R364 HydrophobicContact CG2-CB 3.96Å; I360-R364 HydrophobicContact CG2-CG 4.48Å; P361-R364 HydrophobicContact CG-CG 4.28Å; P361-R364 PolarHBondContact O-N 2.94Å; S362-R364 VanDerWaalsContact C-N 3.32Å; S362-R364 PolarHBondContact O-N 2.85Å; R364-A366 VanDerWaalsContact C-N 3.34Å; R364-A378 HydrophobicContact CB-CB 4.25Å; R364-C379 PolarHBondContact O-N 3.02Å
365	W	94.1	Very high	92.3	Very high	82 Å²	82	68.9 Å²	68.9	31%	0.311	37%	0.37	S	S	.	.	H	α-helix	trans	-78.6	-18.3	173.2	-54.9	93.6	0	0	0	113	Q313 V314 I360 S362 N363 G377 A378	Q313-W365 WeakPolarHBondContact O-CH2 3.36Å; Q313-W365 VanDerWaalsContact O-CZ3 3.31Å; Q313-W365 WeakPolarHBondContact O-CZ3 3.46Å; V314-W365 HydrophobicContact CG1-CH2 3.88Å; V314-W365 HydrophobicContact CG1-CZ2 4.37Å; I360-W365 HydrophobicContact CB-CZ2 4.24Å; I360-W365 HydrophobicContact CD1-CZ2 3.94Å; I360-W365 HydrophobicContact CG2-CZ2 4.32Å; I360-W365 VanDerWaalsContact CG2-NE1 3.34Å; I360-W365 PolarHBondContact O-NE1 3.38Å; S362-W365 PolarHBondContact O-N 3.28Å; N363-W365 VanDerWaalsContact C-N 3.31Å; N363-W365 PolarHBondContact O-N 3.03Å; W365-G377 WeakPolarHBondContact CA-O 3.34Å; W365-G377 VanDerWaalsContact CE3-C 3.49Å; W365-A378 HydrophobicContact CD2-CB 4.24Å; W365-A378 HydrophobicContact CE3-CB 4.38Å; W365-A378 HydrophobicContact CZ2-CB 4.44Å
366	A	92.6	Very high	92.1	Very high	56 Å²	56	71.2 Å²	71.2	46%	0.463	39%	0.385	S	S	.	.	H	α-helix	trans	-86.5	-14.8	176.5	0	0	0	0	0	113.5	S362 N363 R364 K375	S362-A366 PolarHBondContact O-N 2.96Å; N363-A366 PolarHBondContact O-N 3.44Å; N363-A366 VanDerWaalsContact O-N 3.13Å; R364-A366 VanDerWaalsContact C-N 3.34Å; A366-K375 VanDerWaalsContact O-CE 3.23Å; A366-K375 WeakPolarHBondContact O-CE 3.43Å
367	L	94.1	Very high	92.2	Very high	42 Å²	42	68.7 Å²	68.7	22%	0.22	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-74.4	147	177.8	-71.2	168.6	0	0	0	111.7	N363 C379 Q381 A390	N363-L367 WeakPolarHBondContact O-CG 3.43Å; N363-L367 PolarHBondContact O-N 3.25Å; L367-C379 HydrophobicContact CB-CB 3.83Å; L367-C379 HydrophobicContact CD1-CB 4.18Å; L367-Q381 HydrophobicContact CD1-CG 3.71Å; L367-A390 HydrophobicContact CB-CB 3.9Å; L367-A390 HydrophobicContact CD1-CB 3.76Å; L367-A390 HydrophobicContact CD2-CB 3.98Å; L367-A390 HydrophobicContact CG-CB 4.08Å
368	I	93.9	Very high	92.3	Very high	102 Å²	102	68.2 Å²	68.2	52%	0.523	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-101.9	130	173.8	-60.5	175.1	0	0	0	108	C370 K373 K375	I368-C370 PolarHBondContact O-N 3.3Å; I368-K373 WeakPolarHBondContact CG2-O 3.44Å; I368-K375 HydrophobicContact CG1-CB 4.21Å; I368-K375 HydrophobicContact CG1-CD 4.41Å; I368-K375 HydrophobicContact CG1-CG 4.05Å
369	C	95.5	Very high	92.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-70.7	121	-179.7	170.2	0	0	0	0	110.7	L371 K373 E374 A390 H392	C369-L371 PolarHBondContact O-N 3.39Å; C369-L371 VanDerWaalsContact O-N 3.08Å; C369-K373 WeakPolarHBondContact O-CA 3.16Å; C369-K373 PolarHBondContact O-N 3.44Å; C369-E374 PolarHBondContact N-O 2.94Å; C369-A390 CarbonylContact C-O 3.54Å; C369-A390 WeakPolarHBondContact CA-O 3.37Å; C369-H392 WeakPolarHBondContact CB-ND1 3.42Å; C369-H392 PolarHBondContact SG-N 3.27Å; C369-H392 VanDerWaalsContact SG-N 3.43Å
370	C	93.5	Very high	92.8	Very high	36 Å²	36	57.4 Å²	57.4	24%	0.243	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-15.8	-175.2	71.2	0	0	0	0	114.1	I368 K373 A390	I368-C370 PolarHBondContact O-N 3.3Å; C370-K373 WeakPolarHBondContact O-CE 3.21Å; C370-K373 PolarHBondContact O-NZ 3.31Å; C370-A390 WeakPolarHBondContact CB-O 3.34Å; C370-A390 PolarHBondContact N-O 3.45Å; C370-A390 PolarHBondContact SG-O 3.11Å
371	L	92.9	Very high	92.9	Very high	53 Å²	53	60.7 Å²	60.7	28%	0.277	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-72.8	178.1	-58.8	171.7	0	0	0	110.9	C369 K373 F391 C395 A399 L401 P420	C369-L371 PolarHBondContact O-N 3.39Å; C369-L371 VanDerWaalsContact O-N 3.08Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.86Å; L371-F391 HydrophobicContact CD1-CB 4.16Å; L371-F391 HydrophobicContact CG-CB 4.41Å; L371-C395 HydrophobicContact CB-CB 4.16Å; L371-C395 VanDerWaalsContact CD1-C 3.42Å; L371-C395 HydrophobicContact CD1-CB 3.72Å; L371-C395 WeakPolarHBondContact CD1-O 3.24Å; L371-A399 HydrophobicContact CD1-CB 3.8Å; L371-A399 HydrophobicContact CD2-CB 4.22Å; L371-L401 HydrophobicContact CD1-CD1 4.16Å; L371-P420 HydrophobicContact CD2-CG 3.93Å
372	C	92.2	Very high	92.9	Very high	49 Å²	49	58.7 Å²	58.7	33%	0.331	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-8.1	-179.9	68.4	0	0	0	0	115.8	E374	C372-E374 HydrophobicContact CB-CG 4.4Å; C372-E374 PolarHBondContact O-N 3.44Å
373	K	91.9	Very high	92.9	Very high	152 Å²	152	56.5 Å²	56.5	66%	0.661	30%	0.295	S	S	*	.			trans	63.1	1	-176.8	-44.3	-55.2	-177.4	-175	0	116.2	I368 C369 C370 L371	I368-K373 WeakPolarHBondContact CG2-O 3.44Å; C369-K373 WeakPolarHBondContact O-CA 3.16Å; C369-K373 PolarHBondContact O-N 3.44Å; C370-K373 WeakPolarHBondContact O-CE 3.21Å; C370-K373 PolarHBondContact O-NZ 3.31Å; L371-K373 VanDerWaalsContact C-N 3.3Å; L371-K373 PolarHBondContact O-N 2.86Å
374	E	89.3	Confident	92.9	Very high	88 Å²	88	51.5 Å²	51.5	41%	0.411	27%	0.271	S	S	.	.			trans	-83.8	162.5	177.6	-50.2	-173.2	156.5	0	0	113.3	P316 C369 C372 T376	P316-E374 WeakPolarHBondContact CB-OE2 3.48Å; P316-E374 VanDerWaalsContact CG-OE2 3.28Å; P316-E374 WeakPolarHBondContact CG-OE2 3.33Å; C369-E374 PolarHBondContact N-O 2.94Å; C372-E374 HydrophobicContact CB-CG 4.4Å; C372-E374 PolarHBondContact O-N 3.44Å; E374-T376 HydrophobicContact CB-CG2 4.28Å; E374-T376 WeakPolarHBondContact CB-OG1 3.37Å; E374-T376 PolarHBondContact OE2-OG1 3.19Å
375	K	88.8	Confident	92.6	Very high	128 Å²	128	59 Å²	59	56%	0.557	31%	0.305	S	S	*	.			trans	-112.3	27.6	176.9	-158.8	-172.4	175	-175.3	0	111.9	A366 I368	A366-K375 VanDerWaalsContact O-CE 3.23Å; A366-K375 WeakPolarHBondContact O-CE 3.43Å; I368-K375 HydrophobicContact CG1-CB 4.21Å; I368-K375 HydrophobicContact CG1-CD 4.41Å; I368-K375 HydrophobicContact CG1-CG 4.05Å
376	T	88.2	Confident	92.4	Very high	73 Å²	73	63.1 Å²	63.1	45%	0.448	33%	0.333	S	S	.	.			trans	-106.6	60.8	-161.2	43.3	0	0	0	0	112.1	C315 P316 E374	C315-T376 CarbonylContact C-O 3.55Å; P316-T376 WeakPolarHBondContact CD-O 3.03Å; E374-T376 HydrophobicContact CB-CG2 4.28Å; E374-T376 WeakPolarHBondContact CB-OG1 3.37Å; E374-T376 PolarHBondContact OE2-OG1 3.19Å
377	G	91.7	Very high	92.4	Very high	6 Å²	6	61.9 Å²	61.9	6%	0.062	32%	0.321	C	S	.	.	S	Bend	trans	156.8	-162.3	-178.8	0	0	0	0	0	112.1	V314 W365	V314-G377 CarbonylContact O-C 3.56Å; V314-G377 WeakPolarHBondContact O-CA 3.45Å; W365-G377 WeakPolarHBondContact CA-O 3.34Å; W365-G377 VanDerWaalsContact CE3-C 3.49Å
378	A	95.1	Very high	92.3	Very high	1 Å²	1	70.1 Å²	70.1	1%	0.008	35%	0.349	C	S	.	.			trans	-109.5	117.7	173.9	0	0	0	0	0	109.4	V314 I340 I360 R364 W365	V314-A378 HydrophobicContact CB-CB 4.33Å; V314-A378 PolarHBondContact O-N 2.61Å; I340-A378 HydrophobicContact CD1-CB 4.13Å; I360-A378 HydrophobicContact CD1-CB 4.28Å; I360-A378 HydrophobicContact CG2-CB 3.76Å; R364-A378 HydrophobicContact CB-CB 4.25Å; W365-A378 HydrophobicContact CD2-CB 4.24Å; W365-A378 HydrophobicContact CE3-CB 4.38Å; W365-A378 HydrophobicContact CZ2-CB 4.44Å
379	C	95.6	Very high	92.3	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.339	C	S	.	.			trans	-86.1	142.7	177	-68.3	0	0	0	0	112.5	R364 L367 A390 F391	R364-C379 PolarHBondContact O-N 3.02Å; L367-C379 HydrophobicContact CB-CB 3.83Å; L367-C379 HydrophobicContact CD1-CB 4.18Å; C379-A390 HydrophobicContact CB-CB 3.88Å; C379-F391 WeakPolarHBondContact CA-O 3.44Å
380	I	94.9	Very high	92.3	Very high	7 Å²	7	68 Å²	68	4%	0.036	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	167.5	158.1	57.1	168.6	0	0	0	109.5	W339 I340 A390 F391 V393 M403	W339-I380 WeakPolarHBondContact O-CG2 3.39Å; I340-I380 HydrophobicContact CG1-CG2 4.09Å; I380-A390 CarbonylContact O-C 3.51Å; I380-A390 WeakPolarHBondContact O-CA 3.36Å; I380-F391 HydrophobicContact CD1-CD2 4.11Å; I380-F391 HydrophobicContact CD1-CE2 3.69Å; I380-F391 HydrophobicContact CD1-CZ 4.42Å; I380-F391 HydrophobicContact CG1-CD2 3.99Å; I380-F391 HydrophobicContact CG1-CE2 3.96Å; I380-F391 VanDerWaalsContact CG1-O 3.24Å; I380-F391 WeakPolarHBondContact CG1-O 3.42Å; I380-F391 PolarHBondContact N-O 3.3Å; I380-F391 PolarHBondContact O-N 2.9Å; I380-V393 HydrophobicContact CD1-CG2 4.07Å; I380-V393 HydrophobicContact CG1-CG2 4.24Å; I380-V393 HydrophobicContact CG2-CG2 3.91Å; I380-M403 HydrophobicContact CD1-CE 4.09Å
381	Q	94.2	Very high	92.4	Very high	79 Å²	79	66.2 Å²	66.2	37%	0.369	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152	-178.3	-65.8	-173.3	-84.7	0	0	111.1	L367 S383 R388 T389 A390 S417	L367-Q381 HydrophobicContact CD1-CG 3.71Å; Q381-S383 PolarHBondContact O-N 3.45Å; Q381-R388 PolarHBondContact NE2-O 3.17Å; Q381-T389 WeakPolarHBondContact CA-O 3.45Å; Q381-A390 HydrophobicContact CG-CB 4.06Å; Q381-S417 PolarHBondContact O-OG 2.76Å
382	C	94.6	Very high	92.5	Very high	8 Å²	8	63.7 Å²	63.7	5%	0.054	32%	0.316	C	S	.	.			trans	-57.9	127.7	178.5	-176.4	0	0	0	0	112	A384 C387 T389 S417 C419 H422	C382-A384 PolarHBondContact O-N 3.36Å; C382-C387 HydrophobicContact CB-CB 3.9Å; C382-T389 PolarHBondContact N-O 2.74Å; C382-S417 CarbonylContact C-O 3.6Å; C382-S417 WeakPolarHBondContact CA-O 3.42Å; C382-C419 HydrophobicContact CB-CB 4Å; C382-C419 PolarHBondContact SG-N 2.77Å; C382-C419 VanDerWaalsContact SG-N 3.39Å; C382-H422 PolarHBondContact SG-ND1 2.96Å; C382-H422 VanDerWaalsContact SG-ND1 3.42Å
383	S	92.4	Very high	92.6	Very high	53 Å²	53	61.4 Å²	61.4	37%	0.371	30%	0.301	S	S	.	.			trans	-75.6	-4	-179.3	-51.7	0	0	0	0	114.5	Q381 K416 S417	Q381-S383 PolarHBondContact O-N 3.45Å; S383-K416 WeakPolarHBondContact OG-CA 3.14Å; S383-S417 PolarHBondContact N-O 2.88Å; S383-S417 PolarHBondContact OG-N 3.37Å; S383-S417 PolarHBondContact OG-O 3.27Å
384	A	91.3	Very high	92.7	Very high	23 Å²	23	54.4 Å²	54.4	19%	0.19	27%	0.271	C	S	.	.	S	Bend	trans	-70	140.1	175.6	0	0	0	0	0	111.2	C382 N386 C387 Y418 H422	C382-A384 PolarHBondContact O-N 3.36Å; A384-N386 PolarHBondContact O-N 2.94Å; A384-C387 HydrophobicContact CB-CB 4.09Å; A384-C387 VanDerWaalsContact O-CB 3.26Å; A384-C387 WeakPolarHBondContact O-CB 3.4Å; A384-C387 PolarHBondContact O-N 3.26Å; A384-Y418 HydrophobicContact CB-CD1 4.22Å; A384-H422 HydrophobicContact CB-CB 4.26Å; A384-H422 VanDerWaalsContact CB-ND1 3.33Å; A384-H422 WeakPolarHBondContact CB-ND1 3.35Å
385	K	88.8	Confident	92.9	Very high	202 Å²	202	51.3 Å²	51.3	88%	0.878	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	136.5	-178.7	-63.7	-179.8	-177.5	176.1	0	110.9	C387	K385-C387 PolarHBondContact O-N 3.42Å
386	N	88.6	Confident	93	Very high	167 Å²	167	45.2 Å²	45.2	89%	0.893	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	0.9	-177.2	-58.5	-23.6	0	0	0	116.7	A384	A384-N386 PolarHBondContact O-N 2.94Å
387	C	93.8	Very high	93	Very high	31 Å²	31	42.6 Å²	42.6	21%	0.209	22%	0.215	C	C	.	.			trans	-76.7	144	177.8	-158.3	0	0	0	0	111.9	C382 A384 K385 T389 H422	C382-C387 HydrophobicContact CB-CB 3.9Å; A384-C387 HydrophobicContact CB-CB 4.09Å; A384-C387 VanDerWaalsContact O-CB 3.26Å; A384-C387 WeakPolarHBondContact O-CB 3.4Å; A384-C387 PolarHBondContact O-N 3.26Å; K385-C387 PolarHBondContact O-N 3.42Å; C387-T389 PolarHBondContact SG-OG1 3.08Å; C387-H422 PolarHBondContact SG-CE1 2.81Å
388	R	91.6	Very high	92.7	Very high	214 Å²	214	47.5 Å²	47.5	81%	0.808	24%	0.237	S	C	*	.			trans	-127.1	1.2	-179.7	-61.1	-176	-174.6	168.1	2.5	114.1	Q381	Q381-R388 PolarHBondContact NE2-O 3.17Å
389	T	93.9	Very high	92.3	Very high	52 Å²	52	49.4 Å²	49.4	32%	0.319	25%	0.252	S	S	.	.			trans	-61.4	138.3	174.8	35	0	0	0	0	110.4	Q381 C382 C387 C419	Q381-T389 WeakPolarHBondContact CA-O 3.45Å; C382-T389 PolarHBondContact N-O 2.74Å; C387-T389 PolarHBondContact SG-OG1 3.08Å; T389-C419 VanDerWaalsContact OG1-CB 3.29Å; T389-C419 WeakPolarHBondContact OG1-CB 3.32Å; T389-C419 PolarHBondContact OG1-SG 2.9Å
390	A	94.8	Very high	91.8	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.2	-173.6	0	0	0	0	0	110.4	L367 C369 C370 C379 I380 Q381	L367-A390 HydrophobicContact CB-CB 3.9Å; L367-A390 HydrophobicContact CD1-CB 3.76Å; L367-A390 HydrophobicContact CD2-CB 3.98Å; L367-A390 HydrophobicContact CG-CB 4.08Å; C369-A390 CarbonylContact C-O 3.54Å; C369-A390 WeakPolarHBondContact CA-O 3.37Å; C370-A390 WeakPolarHBondContact CB-O 3.34Å; C370-A390 PolarHBondContact N-O 3.45Å; C370-A390 PolarHBondContact SG-O 3.11Å; C379-A390 HydrophobicContact CB-CB 3.88Å; I380-A390 CarbonylContact O-C 3.51Å; I380-A390 WeakPolarHBondContact O-CA 3.36Å; Q381-A390 HydrophobicContact CG-CB 4.06Å
391	F	96.1	Very high	91.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	155.3	178.3	45.7	-86.5	0	0	0	111.3	L371 C379 I380 L401 M403 Y418 C419	L371-F391 HydrophobicContact CD1-CB 4.16Å; L371-F391 HydrophobicContact CG-CB 4.41Å; C379-F391 WeakPolarHBondContact CA-O 3.44Å; I380-F391 HydrophobicContact CD1-CD2 4.11Å; I380-F391 HydrophobicContact CD1-CE2 3.69Å; I380-F391 HydrophobicContact CD1-CZ 4.42Å; I380-F391 HydrophobicContact CG1-CD2 3.99Å; I380-F391 HydrophobicContact CG1-CE2 3.96Å; I380-F391 VanDerWaalsContact CG1-O 3.24Å; I380-F391 WeakPolarHBondContact CG1-O 3.42Å; I380-F391 PolarHBondContact N-O 3.3Å; I380-F391 PolarHBondContact O-N 2.9Å; F391-L401 HydrophobicContact CD1-CD1 4.47Å; F391-L401 HydrophobicContact CD2-CD1 4.21Å; F391-L401 HydrophobicContact CE1-CD1 4.27Å; F391-L401 HydrophobicContact CE2-CD1 3.97Å; F391-L401 HydrophobicContact CG-CD1 4.46Å; F391-L401 HydrophobicContact CZ-CD1 4.01Å; F391-M403 HydrophobicContact CE2-SD 4.37Å; F391-Y418 VanDerWaalsContact CZ-O 3.3Å; F391-Y418 WeakPolarHBondContact CZ-O 3.43Å; F391-C419 HydrophobicContact CD1-CB 4.46Å; F391-C419 HydrophobicContact CE1-CB 3.94Å
392	H	95.5	Very high	91.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.			trans	-69.8	141.9	168.4	-60.6	126	0	0	0	109.8	C315 P316 C369 T394 C395 G396	C315-H392 HydrophobicContact CB-CB 4.09Å; P316-H392 WeakPolarHBondContact CD-ND1 3.26Å; C369-H392 WeakPolarHBondContact CB-ND1 3.42Å; C369-H392 PolarHBondContact SG-N 3.27Å; C369-H392 VanDerWaalsContact SG-N 3.43Å; H392-T394 PolarHBondContact O-N 3.32Å; H392-C395 HydrophobicContact CB-CB 4.18Å; H392-C395 WeakPolarHBondContact O-CA 3.32Å; H392-C395 WeakPolarHBondContact O-CB 3.4Å; H392-C395 PolarHBondContact O-N 3.45Å; H392-G396 PolarHBondContact O-N 2.88Å
393	V	94.5	Very high	90.9	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-50.2	-53.5	179.1	-179.7	0	0	0	0	111.7	W339 I340 I380 C395 G396 L397 M403	W339-V393 HydrophobicContact CB-CB 4.18Å; W339-V393 HydrophobicContact CB-CG1 3.49Å; W339-V393 VanDerWaalsContact CB-CG1 3.49Å; W339-V393 HydrophobicContact CB-CG2 3.58Å; W339-V393 HydrophobicContact CG-CG1 3.66Å; I340-V393 HydrophobicContact CD1-CG2 4.47Å; I340-V393 HydrophobicContact CG1-CG2 3.96Å; I380-V393 HydrophobicContact CD1-CG2 4.07Å; I380-V393 HydrophobicContact CG1-CG2 4.24Å; I380-V393 HydrophobicContact CG2-CG2 3.91Å; V393-C395 PolarHBondContact O-N 2.96Å; V393-G396 PolarHBondContact O-N 3.46Å; V393-L397 HydrophobicContact CG1-CD1 4.04Å; V393-L397 PolarHBondContact O-N 3.36Å; V393-M403 HydrophobicContact CG1-CE 4.25Å
394	T	92.9	Very high	90.5	Very high	5 Å²	5	57 Å²	57	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-30.4	179.6	48.5	0	0	0	0	113	C315 K317 H333 H392 H398	C315-T394 PolarHBondContact SG-OG1 2.8Å; K317-T394 HydrophobicContact CB-CG2 4.46Å; K317-T394 HydrophobicContact CD-CG2 4.07Å; H333-T394 HydrophobicContact CB-CG2 4.45Å; H392-T394 PolarHBondContact O-N 3.32Å; T394-H398 WeakPolarHBondContact O-CB 3.43Å; T394-H398 PolarHBondContact O-CD2 3.16Å; T394-H398 PolarHBondContact O-N 3.1Å
395	C	92.8	Very high	90.2	Very high	23 Å²	23	60.2 Å²	60.2	16%	0.155	31%	0.305	C	S	.	.	H	α-helix	trans	-73.9	-37.1	174.8	-63	0	0	0	0	111.6	L371 H392 V393 A399	L371-C395 HydrophobicContact CB-CB 4.16Å; L371-C395 VanDerWaalsContact CD1-C 3.42Å; L371-C395 HydrophobicContact CD1-CB 3.72Å; L371-C395 WeakPolarHBondContact CD1-O 3.24Å; H392-C395 HydrophobicContact CB-CB 4.18Å; H392-C395 WeakPolarHBondContact O-CA 3.32Å; H392-C395 WeakPolarHBondContact O-CB 3.4Å; H392-C395 PolarHBondContact O-N 3.45Å; V393-C395 PolarHBondContact O-N 2.96Å; C395-A399 VanDerWaalsContact O-CB 3.24Å; C395-A399 WeakPolarHBondContact O-CB 3.32Å; C395-A399 PolarHBondContact O-N 2.96Å
396	G	91.6	Very high	89.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-49.9	175.8	0	0	0	0	0	112.1	H392 V393 H398 A399 N400 L401	H392-G396 PolarHBondContact O-N 2.88Å; V393-G396 PolarHBondContact O-N 3.46Å; G396-H398 PolarHBondContact O-N 3.45Å; G396-A399 CarbonylContact O-C 3.56Å; G396-A399 PolarHBondContact O-N 2.86Å; G396-A399 VanDerWaalsContact O-N 3.07Å; G396-N400 PolarHBondContact O-N 3.11Å; G396-L401 WeakPolarHBondContact O-CG 3.37Å; G396-L401 PolarHBondContact O-N 2.65Å; G396-L401 VanDerWaalsContact O-N 3.11Å
397	L	88.8	Confident	89.4	Confident	18 Å²	18	48.4 Å²	48.4	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-57.1	-49.5	173.2	-65.5	173	0	0	0	111.1	Q264 V393 A399 N400 M403	Q264-L397 HydrophobicContact CG-CB 4.23Å; Q264-L397 HydrophobicContact CG-CD2 4.13Å; V393-L397 HydrophobicContact CG1-CD1 4.04Å; V393-L397 PolarHBondContact O-N 3.36Å; L397-A399 PolarHBondContact O-N 3.27Å; L397-N400 PolarHBondContact O-N 2.72Å; L397-M403 HydrophobicContact CD2-CB 4.5Å; L397-M403 HydrophobicContact CD2-CE 3.9Å; L397-M403 HydrophobicContact CD2-SD 3.91Å; L397-M403 HydrophobicContact CG-CE 4.05Å; L397-M403 HydrophobicContact CG-SD 4.1Å
398	H	84.8	Confident	88.7	Confident	109 Å²	109	48.9 Å²	48.9	51%	0.505	25%	0.252	S	S	.	.	H	α-helix	trans	-63.7	-19.2	176.2	-82.4	-149.2	0	0	0	114.5	K317 T394 G396 K442	K317-H398 VanDerWaalsContact CE-CE1 3.45Å; K317-H398 WeakPolarHBondContact CE-CE1 3.25Å; K317-H398 PolarHBondContact NZ-NE2 2.8Å; T394-H398 WeakPolarHBondContact O-CB 3.43Å; T394-H398 PolarHBondContact O-CD2 3.16Å; T394-H398 PolarHBondContact O-N 3.1Å; G396-H398 PolarHBondContact O-N 3.45Å; H398-K442 PolarHBondContact O-NZ 3.45Å
399	A	87	Confident	87.9	Confident	41 Å²	41	48.4 Å²	48.4	34%	0.339	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	9.4	175.1	0	0	0	0	0	112.6	L371 C395 G396 L397 L401	L371-A399 HydrophobicContact CD1-CB 3.8Å; L371-A399 HydrophobicContact CD2-CB 4.22Å; C395-A399 VanDerWaalsContact O-CB 3.24Å; C395-A399 WeakPolarHBondContact O-CB 3.32Å; C395-A399 PolarHBondContact O-N 2.96Å; G396-A399 CarbonylContact O-C 3.56Å; G396-A399 PolarHBondContact O-N 2.86Å; G396-A399 VanDerWaalsContact O-N 3.07Å; L397-A399 PolarHBondContact O-N 3.27Å; A399-L401 HydrophobicContact CB-CD2 4.14Å; A399-L401 HydrophobicContact CB-CG 4.02Å; A399-L401 PolarHBondContact O-N 3.2Å
400	N	85.1	Confident	87	Confident	130 Å²	130	51.8 Å²	51.8	70%	0.695	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.1	-177.7	-61.5	80.8	0	0	0	112	G396 L397	G396-N400 PolarHBondContact O-N 3.11Å; L397-N400 PolarHBondContact O-N 2.72Å
401	L	89.3	Confident	85.9	Confident	16 Å²	16	54.2 Å²	54.2	8%	0.084	29%	0.288	C	S	.	.			trans	-72.2	143.8	175	-56.6	-172.4	0	0	0	110.1	L371 F391 G396 A399 M403 Y418 P420	L371-L401 HydrophobicContact CD1-CD1 4.16Å; F391-L401 HydrophobicContact CD1-CD1 4.47Å; F391-L401 HydrophobicContact CD2-CD1 4.21Å; F391-L401 HydrophobicContact CE1-CD1 4.27Å; F391-L401 HydrophobicContact CE2-CD1 3.97Å; F391-L401 HydrophobicContact CG-CD1 4.46Å; F391-L401 HydrophobicContact CZ-CD1 4.01Å; G396-L401 WeakPolarHBondContact O-CG 3.37Å; G396-L401 PolarHBondContact O-N 2.65Å; G396-L401 VanDerWaalsContact O-N 3.11Å; A399-L401 HydrophobicContact CB-CD2 4.14Å; A399-L401 HydrophobicContact CB-CG 4.02Å; A399-L401 PolarHBondContact O-N 3.2Å; L401-M403 HydrophobicContact CB-CG 4.41Å; L401-M403 WeakPolarHBondContact O-CG 3.43Å; L401-M403 PolarHBondContact O-N 2.68Å; L401-M403 VanDerWaalsContact O-N 3.07Å; L401-Y418 WeakPolarHBondContact CD1-O 3.46Å; L401-P420 HydrophobicContact CD1-CG 4.4Å; L401-P420 HydrophobicContact CD2-CB 4.32Å; L401-P420 HydrophobicContact CD2-CG 3.82Å
402	E	87.3	Confident	85	Confident	74 Å²	74	59.3 Å²	59.3	35%	0.346	31%	0.312	S	S	.	.			trans	-57.7	113.5	172.9	-173.8	-166.7	166.5	0	0	110.1	N404 Y418	E402-N404 VanDerWaalsContact CG-OD1 3.27Å; E402-N404 WeakPolarHBondContact CG-OD1 3.32Å; E402-N404 PolarHBondContact OE1-ND2 3.36Å; E402-Y418 HydrophobicContact CB-CD2 3.93Å; E402-Y418 HydrophobicContact CG-CD2 3.76Å; E402-Y418 HydrophobicContact CG-CE2 4.17Å; E402-Y418 PolarHBondContact O-N 2.73Å; E402-Y418 WeakPolarHBondContact OE1-CE2 3.47Å; E402-Y418 WeakPolarHBondContact OE2-CD2 3.46Å
403	M	88.3	Confident	84.3	Confident	26 Å²	26	61 Å²	61	13%	0.128	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	83.3	-169.9	-76.8	-171.5	61.7	0	0	108.9	W339 I380 F391 V393 L397 L401 K416	W339-M403 HydrophobicContact CD2-CE 3.41Å; W339-M403 VanDerWaalsContact CD2-CE 3.41Å; W339-M403 HydrophobicContact CE3-CE 3.6Å; W339-M403 HydrophobicContact CG-CE 3.95Å; W339-M403 HydrophobicContact CH2-CB 3.68Å; W339-M403 HydrophobicContact CH2-CE 4.15Å; W339-M403 HydrophobicContact CH2-CG 4.45Å; W339-M403 WeakPolarHBondContact CH2-O 3.49Å; W339-M403 HydrophobicContact CZ2-CB 3.8Å; W339-M403 HydrophobicContact CZ2-CE 3.94Å; W339-M403 WeakPolarHBondContact CZ2-O 3.13Å; W339-M403 HydrophobicContact CZ3-CB 4.29Å; W339-M403 HydrophobicContact CZ3-CE 3.96Å; I380-M403 HydrophobicContact CD1-CE 4.09Å; F391-M403 HydrophobicContact CE2-SD 4.37Å; V393-M403 HydrophobicContact CG1-CE 4.25Å; L397-M403 HydrophobicContact CD2-CB 4.5Å; L397-M403 HydrophobicContact CD2-CE 3.9Å; L397-M403 HydrophobicContact CD2-SD 3.91Å; L397-M403 HydrophobicContact CG-CE 4.05Å; L397-M403 HydrophobicContact CG-SD 4.1Å; L401-M403 HydrophobicContact CB-CG 4.41Å; L401-M403 WeakPolarHBondContact O-CG 3.43Å; L401-M403 PolarHBondContact O-N 2.68Å; L401-M403 VanDerWaalsContact O-N 3.07Å; M403-K416 CarbonylContact C-O 3.58Å; M403-K416 WeakPolarHBondContact CA-O 3.01Å
404	N	84	Confident	83.8	Confident	60 Å²	60	64.6 Å²	64.6	32%	0.321	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.9	-167	-50.2	-11.5	0	0	0	111.7	E402 I406 K416	E402-N404 VanDerWaalsContact CG-OD1 3.27Å; E402-N404 WeakPolarHBondContact CG-OD1 3.32Å; E402-N404 PolarHBondContact OE1-ND2 3.36Å; N404-I406 HydrophobicContact CB-CG1 4.4Å; N404-K416 PolarHBondContact N-O 3.32Å; N404-K416 PolarHBondContact O-N 2.88Å
405	T	84.4	Confident	83.6	Confident	91 Å²	91	68.1 Å²	68.1	56%	0.558	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.5	169.5	49	0	0	0	0	109.5	W339 F415	W339-T405 HydrophobicContact CZ2-CG2 4.42Å; T405-F415 HydrophobicContact CG2-CD1 3.67Å; T405-F415 HydrophobicContact CG2-CE1 3.53Å; T405-F415 HydrophobicContact CG2-CZ 4.33Å
406	I	81.2	Confident	83.5	Confident	58 Å²	58	70.9 Å²	70.9	30%	0.297	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.5	-174.9	-60.7	173.5	0	0	0	109.3	N404 K414 K416	N404-I406 HydrophobicContact CB-CG1 4.4Å; I406-K414 PolarHBondContact N-O 3.44Å; I406-K414 PolarHBondContact O-N 3.22Å; I406-K416 HydrophobicContact CD1-CD 3.65Å; I406-K416 HydrophobicContact CD1-CG 4.2Å
407	L	80.4	Confident	83.5	Confident	63 Å²	63	71.2 Å²	71.2	33%	0.33	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.8	166.8	-71.5	158.8	0	0	0	109.3	V413	L407-V413 HydrophobicContact CD2-CG2 3.68Å
408	T	79.4	Confident	83.7	Confident	40 Å²	40	72.3 Å²	72.3	25%	0.245	37%	0.368	C	S	.	.			trans	-89.6	170.2	166.8	68.3	0	0	0	0	112	D410 D411 E412 K414	T408-D410 PolarHBondContact O-N 2.98Å; T408-D410 VanDerWaalsContact O-N 3.08Å; T408-D410 PolarHBondContact OG1-OD2 3.15Å; T408-D411 PolarHBondContact O-N 2.98Å; T408-E412 PolarHBondContact N-O 3.23Å; T408-K414 HydrophobicContact CG2-CD 3.72Å; T408-K414 HydrophobicContact CG2-CG 4.2Å; T408-K414 VanDerWaalsContact CG2-NZ 3.25Å; T408-K414 PolarHBondContact OG1-NZ 3.35Å
409	E	74.1	Confident	84.1	Confident	204 Å²	204	67.2 Å²	67.2	95%	0.953	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-19.8	176.6	-67	159.3	-146.2	0	0	113.1
410	D	75.2	Confident	84.2	Confident	124 Å²	124	68.7 Å²	68.7	66%	0.663	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	11	179	-44	-84.9	0	0	0	115.5	T408 E412	T408-D410 PolarHBondContact O-N 2.98Å; T408-D410 VanDerWaalsContact O-N 3.08Å; T408-D410 PolarHBondContact OG1-OD2 3.15Å; D410-E412 PolarHBondContact O-N 2.94Å
411	D	72.1	Confident	84.4	Confident	56 Å²	56	70.7 Å²	70.7	30%	0.299	35%	0.353	S	S	.	.	S	Bend	trans	61.4	18.4	-164.9	-76.5	-20.1	0	0	0	113.4	T408 R833	T408-D411 PolarHBondContact O-N 2.98Å; D411-R833 IonicContact OD2-CZ 2.66Å; D411-R833 IonicContact OD2-NE 3.73Å; D411-R833 PolarHBondContact OD2-NE 3.37Å; D411-R833 VanDerWaalsContact OD2-NE 3.1Å; D411-R833 IonicContact OD2-NH2 2.61Å; D411-R833 PolarHBondContact OD2-NH2 3.05Å
412	E	76.4	Confident	84.3	Confident	106 Å²	106	74 Å²	74	50%	0.495	37%	0.367	S	S	.	.			trans	-90.9	123.6	-179.1	-165.9	-176	-175.8	0	0	112.9	T408 D410 K414	T408-E412 PolarHBondContact N-O 3.23Å; D410-E412 PolarHBondContact O-N 2.94Å; E412-K414 HydrophobicContact CG-CG 4.44Å; E412-K414 PolarHBondContact O-N 3.09Å; E412-K414 WeakPolarHBondContact OE2-CE 3.39Å; E412-K414 IonicContact OE2-NZ 2.79Å; E412-K414 PolarHBondContact OE2-NZ 2.97Å
413	V	81.7	Confident	83.8	Confident	37 Å²	37	72 Å²	72	22%	0.224	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.5	176.8	-176.8	0	0	0	0	110.9	L407 F415 F832 I834	L407-V413 HydrophobicContact CD2-CG2 3.68Å; V413-F415 HydrophobicContact CG1-CD2 4.3Å; V413-F415 HydrophobicContact CG1-CE2 3.77Å; V413-F415 HydrophobicContact CG1-CZ 4.05Å; V413-F832 HydrophobicContact CG2-CD1 4.28Å; V413-I834 HydrophobicContact CG2-CD1 4.41Å
414	K	83.4	Confident	82.5	Confident	75 Å²	75	73.6 Å²	73.6	33%	0.326	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	110.9	178.8	-65.2	-170.4	173.4	97.6	0	111.5	I406 T408 E412	I406-K414 PolarHBondContact N-O 3.44Å; I406-K414 PolarHBondContact O-N 3.22Å; T408-K414 HydrophobicContact CG2-CD 3.72Å; T408-K414 HydrophobicContact CG2-CG 4.2Å; T408-K414 VanDerWaalsContact CG2-NZ 3.25Å; T408-K414 PolarHBondContact OG1-NZ 3.35Å; E412-K414 HydrophobicContact CG-CG 4.44Å; E412-K414 PolarHBondContact O-N 3.09Å; E412-K414 WeakPolarHBondContact OE2-CE 3.39Å; E412-K414 IonicContact OE2-NZ 2.79Å; E412-K414 PolarHBondContact OE2-NZ 2.97Å
415	F	88.9	Confident	80.8	Confident	80 Å²	80	79.5 Å²	79.5	35%	0.351	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	120.9	174	-65.4	-93.6	0	0	0	110.4	L338 W339 T405 V413	L338-F415 HydrophobicContact CB-CE1 4.27Å; L338-F415 HydrophobicContact CB-CZ 4.38Å; W339-F415 HydrophobicContact CD2-CB 4.5Å; W339-F415 AromaticContact CD2-CD1 3.82Å; W339-F415 HydrophobicContact CD2-CD1 3.82Å; W339-F415 AromaticContact CE2-CD1 3.79Å; W339-F415 HydrophobicContact CE3-CB 3.8Å; W339-F415 AromaticContact CE3-CD1 3.97Å; W339-F415 HydrophobicContact CE3-CD1 3.97Å; W339-F415 HydrophobicContact CE3-CG 4.32Å; W339-F415 HydrophobicContact CG-CD1 4.4Å; W339-F415 HydrophobicContact CH2-CB 4.19Å; W339-F415 AromaticContact CH2-CD1 3.95Å; W339-F415 HydrophobicContact CH2-CD1 3.95Å; W339-F415 AromaticContact CZ2-CD1 3.87Å; W339-F415 HydrophobicContact CZ2-CD1 3.87Å; W339-F415 HydrophobicContact CZ3-CB 3.64Å; W339-F415 HydrophobicContact CZ3-CD1 4.04Å; W339-F415 HydrophobicContact CZ3-CG 4.35Å; T405-F415 HydrophobicContact CG2-CD1 3.67Å; T405-F415 HydrophobicContact CG2-CE1 3.53Å; T405-F415 HydrophobicContact CG2-CZ 4.33Å; V413-F415 HydrophobicContact CG1-CD2 4.3Å; V413-F415 HydrophobicContact CG1-CE2 3.77Å; V413-F415 HydrophobicContact CG1-CZ 4.05Å
416	K	90.4	Very high	78.7	Confident	81 Å²	81	85.1 Å²	85.1	35%	0.352	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135.2	171.7	-65.7	-171.4	-166.8	160.7	0	110.3	W339 S383 M403 N404 I406 Y418	W339-K416 WeakPolarHBondContact CH2-O 3.41Å; W339-K416 WeakPolarHBondContact CZ3-O 3.32Å; S383-K416 WeakPolarHBondContact OG-CA 3.14Å; M403-K416 CarbonylContact C-O 3.58Å; M403-K416 WeakPolarHBondContact CA-O 3.01Å; N404-K416 PolarHBondContact N-O 3.32Å; N404-K416 PolarHBondContact O-N 2.88Å; I406-K416 HydrophobicContact CD1-CD 3.65Å; I406-K416 HydrophobicContact CD1-CG 4.2Å; K416-Y418 HydrophobicContact CB-CE2 4.43Å; K416-Y418 WeakPolarHBondContact CD-OH 3.46Å
417	S	91.8	Very high	76.4	Confident	6 Å²	6	85.7 Å²	85.7	4%	0.042	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	127.8	-178.5	58.6	0	0	0	0	110.5	Q381 C382 S383	Q381-S417 PolarHBondContact O-OG 2.76Å; C382-S417 CarbonylContact C-O 3.6Å; C382-S417 WeakPolarHBondContact CA-O 3.42Å; S383-S417 PolarHBondContact N-O 2.88Å; S383-S417 PolarHBondContact OG-N 3.37Å; S383-S417 PolarHBondContact OG-O 3.27Å
418	Y	93.7	Very high	74.1	Confident	42 Å²	42	90.2 Å²	90.2	17%	0.165	47%	0.472	C	S	.	.			trans	-105.1	154.2	-179.4	-55	-73.6	0	0	0	111.7	A384 F391 L401 E402 K416	A384-Y418 HydrophobicContact CB-CD1 4.22Å; F391-Y418 VanDerWaalsContact CZ-O 3.3Å; F391-Y418 WeakPolarHBondContact CZ-O 3.43Å; L401-Y418 WeakPolarHBondContact CD1-O 3.46Å; E402-Y418 HydrophobicContact CB-CD2 3.93Å; E402-Y418 HydrophobicContact CG-CD2 3.76Å; E402-Y418 HydrophobicContact CG-CE2 4.17Å; E402-Y418 PolarHBondContact O-N 2.73Å; E402-Y418 WeakPolarHBondContact OE1-CE2 3.47Å; E402-Y418 WeakPolarHBondContact OE2-CD2 3.46Å; K416-Y418 HydrophobicContact CB-CE2 4.43Å; K416-Y418 WeakPolarHBondContact CD-OH 3.46Å
419	C	93.1	Very high	72.3	Confident	2 Å²	2	94.5 Å²	94.5	1%	0.014	50%	0.501	C	S	.	.			trans	-88.4	168.9	175.7	72.7	0	0	0	0	110.3	C382 T389 F391 K421 H422 S423	C382-C419 HydrophobicContact CB-CB 4Å; C382-C419 PolarHBondContact SG-N 2.77Å; C382-C419 VanDerWaalsContact SG-N 3.39Å; T389-C419 VanDerWaalsContact OG1-CB 3.29Å; T389-C419 WeakPolarHBondContact OG1-CB 3.32Å; T389-C419 PolarHBondContact OG1-SG 2.9Å; F391-C419 HydrophobicContact CD1-CB 4.46Å; F391-C419 HydrophobicContact CE1-CB 3.94Å; C419-K421 PolarHBondContact O-N 3.45Å; C419-H422 PolarHBondContact O-N 2.79Å; C419-S423 PolarHBondContact O-N 3.47Å; C419-S423 PolarHBondContact O-OG 3.26Å
420	P	88.8	Confident	70.6	Confident	71 Å²	71	89.4 Å²	89.4	46%	0.461	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-14.1	-177.7	-24.8	30.5	0	0	0	116.9	L371 L401	L371-P420 HydrophobicContact CD2-CG 3.93Å; L401-P420 HydrophobicContact CD1-CG 4.4Å; L401-P420 HydrophobicContact CD2-CB 4.32Å; L401-P420 HydrophobicContact CD2-CG 3.82Å
421	K	88.4	Confident	68.8	Low	173 Å²	173	92.7 Å²	92.7	75%	0.752	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-11.2	176.5	-66.7	-162.5	170.5	-158.4	0	114.2	C419	C419-K421 PolarHBondContact O-N 3.45Å
422	H	87.9	Confident	67	Low	84 Å²	84	97 Å²	97	39%	0.389	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-13.1	-173.6	-63	150.2	0	0	0	112.8	C382 A384 C387 C419 G424	C382-H422 PolarHBondContact SG-ND1 2.96Å; C382-H422 VanDerWaalsContact SG-ND1 3.42Å; A384-H422 HydrophobicContact CB-CB 4.26Å; A384-H422 VanDerWaalsContact CB-ND1 3.33Å; A384-H422 WeakPolarHBondContact CB-ND1 3.35Å; C387-H422 PolarHBondContact SG-CE1 2.81Å; C419-H422 PolarHBondContact O-N 2.79Å; H422-G424 VanDerWaalsContact C-N 3.26Å; H422-G424 PolarHBondContact O-N 2.99Å
423	S	77.3	Confident	65.3	Low	33 Å²	33	99.9 Å²	99.9	23%	0.231	54%	0.542	C	S	.	.	S	Bend	trans	-85.4	52.6	176.2	60.6	0	0	0	0	112.4	C419	C419-S423 PolarHBondContact O-N 3.47Å; C419-S423 PolarHBondContact O-OG 3.26Å
424	G	60.9	Low	63.5	Low	59 Å²	59	100.8 Å²	100.8	61%	0.608	56%	0.559	S	S	*	*	S	Bend	trans	131.7	55.2	178.6	0	0	0	0	0	116.6	H422	H422-G424 VanDerWaalsContact C-N 3.26Å; H422-G424 PolarHBondContact O-N 2.99Å
425	F	46.9	Very low	61.2	Low	185 Å²	185	106.8 Å²	106.8	81%	0.811	59%	0.585	S	S	*	*			trans	-145	84.6	161.3	-97.2	-76	0	0	0	110.7
426	Q	40.1	Very low	58.8	Low	209 Å²	209	112.8 Å²	112.8	98%	0.977	61%	0.614	S	S	*	*			trans	-137.8	122.1	154.6	-78.3	-167.8	-20.1	0	0	107.8
427	G	33.8	Very low	56.6	Low	70 Å²	70	111.6 Å²	111.6	72%	0.722	63%	0.625	S	S	*	*	S	Bend	trans	145.5	136	-163.7	0	0	0	0	0	108.1
428	D	30.8	Very low	54	Low	157 Å²	157	117 Å²	117	84%	0.84	66%	0.658	S	S	*	*			trans	-70.1	156.8	-166.7	-79.6	-70.4	0	0	0	114.8	A430	D428-A430 PolarHBondContact O-N 2.79Å
429	P	42.3	Very low	51.4	Low	130 Å²	130	126 Å²	126	84%	0.844	69%	0.691	S	S	*	*			trans	-73	111.6	176.2	30.1	-33.7	0	0	0	111.1
430	A	38.5	Very low	48.9	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	73%	0.725	S	S	*	*			trans	-128.5	157.1	167.1	0	0	0	0	0	110.1	D428	D428-A430 PolarHBondContact O-N 2.79Å
431	E	36.8	Very low	46.7	Very low	193 Å²	193	138.9 Å²	138.9	90%	0.902	74%	0.74	S	S	*	*			trans	-80.1	126.8	-156.5	-65.1	166.6	150.3	0	0	114.9
432	D	35.8	Very low	44.4	Very low	146 Å²	146	136.7 Å²	136.7	78%	0.781	73%	0.731	S	S	*	*			trans	69	161.8	132	-139	1.5	0	0	0	122.7
433	E	39.3	Very low	42	Very low	167 Å²	167	135.2 Å²	135.2	78%	0.78	74%	0.738	S	S	*	*			trans	69.3	130.9	166.5	-75.5	-63.9	177.9	0	0	122.9
434	G	45.4	Very low	40.3	Very low	57 Å²	57	141.9 Å²	141.9	59%	0.588	76%	0.759	S	S	*	*			trans	73.1	86.2	151.9	0	0	0	0	0	120.4
435	K	35.1	Very low	39.4	Very low	200 Å²	200	142.1 Å²	142.1	87%	0.87	76%	0.755	S	S	*	*			trans	-162.6	61.6	152	-112	147.7	-162.6	161.4	0	116.5	G437	K435-G437 PolarHBondContact O-N 2.88Å
436	E	38.7	Very low	39	Very low	207 Å²	207	138.9 Å²	138.9	97%	0.967	75%	0.746	S	S	*	*			trans	-74.5	116.3	155	-175.5	159.3	-132.8	0	0	109
437	G	42.9	Very low	39.2	Very low	56 Å²	56	131 Å²	131	58%	0.577	71%	0.714	S	S	*	*			trans	160.2	27.8	-176.4	0	0	0	0	0	118.4	K435	K435-G437 PolarHBondContact O-N 2.88Å
438	T	38.5	Very low	39.9	Very low	119 Å²	119	130 Å²	130	73%	0.73	69%	0.692	S	S	*	*			trans	-127.9	19.5	-174.8	43.9	0	0	0	0	115.3
439	R	38.7	Very low	40.8	Very low	231 Å²	231	126.1 Å²	126.1	87%	0.872	67%	0.669	S	S	*	*	S	Bend	trans	-94.7	-38	173.3	-71.3	-175.7	175	169.9	2.1	113.6	R441	R439-R441 PolarHBondContact O-N 3.25Å
440	D	39.1	Very low	41.3	Very low	135 Å²	135	125.6 Å²	125.6	72%	0.722	66%	0.655	S	S	*	*	H	α-helix	trans	-74.8	-26.1	-173.3	-63.1	-79.6	0	0	0	115.8	K442 G443 R444	D440-K442 PolarHBondContact O-N 3.11Å; D440-G443 PolarHBondContact O-N 2.76Å; D440-R444 WeakPolarHBondContact O-CB 3.03Å; D440-R444 PolarHBondContact O-N 3.46Å
441	R	42.7	Very low	42.1	Very low	208 Å²	208	126.2 Å²	126.2	79%	0.785	64%	0.64	S	S	*	*	H	α-helix	trans	-53.1	-28.9	179.2	-83.1	-168	173.3	-136.3	-0.2	113.3	R439 A445	R439-R441 PolarHBondContact O-N 3.25Å; R441-A445 PolarHBondContact O-N 3.44Å
442	K	41.8	Very low	43	Very low	127 Å²	127	120.8 Å²	120.8	55%	0.552	61%	0.611	S	S	*	*	H	α-helix	trans	-86.8	-31.8	-175.3	-154.3	168.7	-159	124.4	0	114.3	H398 D440 R444	H398-K442 PolarHBondContact O-NZ 3.45Å; D440-K442 PolarHBondContact O-N 3.11Å; K442-R444 VanDerWaalsContact C-N 3.33Å
443	G	37.5	Very low	44.2	Very low	53 Å²	53	117.1 Å²	117.1	55%	0.546	59%	0.593	S	S	.	*	H	α-helix	trans	-66.4	-41.8	165.5	0	0	0	0	0	110.3	D440 N446 S447	D440-G443 PolarHBondContact O-N 2.76Å; G443-N446 PolarHBondContact O-N 3.24Å; G443-S447 VanDerWaalsContact O-CB 3.24Å; G443-S447 WeakPolarHBondContact O-CB 3.16Å; G443-S447 PolarHBondContact O-N 2.87Å
444	R	40.3	Very low	45.6	Very low	174 Å²	174	113 Å²	113	66%	0.657	58%	0.577	S	S	*	*	H	α-helix	trans	-58.2	-54.2	176.7	-175.8	162.5	-179	170.9	-0.8	113	D440 K442 N446 S447 D448	D440-R444 WeakPolarHBondContact O-CB 3.03Å; D440-R444 PolarHBondContact O-N 3.46Å; K442-R444 VanDerWaalsContact C-N 3.33Å; R444-N446 VanDerWaalsContact C-N 3.34Å; R444-N446 PolarHBondContact O-N 3.4Å; R444-S447 CarbonylContact O-C 3.44Å; R444-S447 WeakPolarHBondContact O-CB 3.39Å; R444-S447 PolarHBondContact O-N 3.13Å; R444-S447 VanDerWaalsContact O-N 3.1Å; R444-D448 WeakPolarHBondContact CG-OD2 3.36Å; R444-D448 IonicContact NE-OD2 2.72Å; R444-D448 PolarHBondContact NE-OD2 2.96Å; R444-D448 WeakPolarHBondContact O-CB 3.44Å; R444-D448 PolarHBondContact O-N 3.36Å
445	A	41.7	Very low	46.7	Very low	64 Å²	64	115.5 Å²	115.5	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-57.3	-40.6	-179.3	0	0	0	0	0	114.2	R441 D448 Q449	R441-A445 PolarHBondContact O-N 3.44Å; A445-D448 PolarHBondContact O-N 3.28Å; A445-Q449 PolarHBondContact O-N 2.95Å
446	N	40.2	Very low	48	Very low	117 Å²	117	111.1 Å²	111.1	63%	0.626	55%	0.554	S	S	*	*	H	α-helix	trans	-71.7	-37.9	177.2	-164.7	84.1	0	0	0	111.9	G443 R444 D448 E450	G443-N446 PolarHBondContact O-N 3.24Å; R444-N446 VanDerWaalsContact C-N 3.34Å; R444-N446 PolarHBondContact O-N 3.4Å; N446-D448 VanDerWaalsContact C-N 3.33Å; N446-E450 WeakPolarHBondContact O-CB 3.06Å; N446-E450 PolarHBondContact O-N 3.01Å; N446-E450 VanDerWaalsContact O-N 3.09Å
447	S	43.4	Very low	49.6	Very low	43 Å²	43	107.8 Å²	107.8	30%	0.301	54%	0.536	S	S	.	.	H	α-helix	trans	-67.1	-32.2	173.6	-174.7	0	0	0	0	112.5	G443 R444 E450 K451	G443-S447 VanDerWaalsContact O-CB 3.24Å; G443-S447 WeakPolarHBondContact O-CB 3.16Å; G443-S447 PolarHBondContact O-N 2.87Å; R444-S447 CarbonylContact O-C 3.44Å; R444-S447 WeakPolarHBondContact O-CB 3.39Å; R444-S447 PolarHBondContact O-N 3.13Å; R444-S447 VanDerWaalsContact O-N 3.1Å; S447-E450 PolarHBondContact O-N 3.44Å; S447-K451 WeakPolarHBondContact O-CB 3.49Å; S447-K451 WeakPolarHBondContact O-CD 3.5Å; S447-K451 WeakPolarHBondContact O-CE 3.27Å; S447-K451 WeakPolarHBondContact O-CG 3.49Å; S447-K451 PolarHBondContact O-N 2.93Å; S447-K451 WeakPolarHBondContact OG-CE 3.46Å; S447-K451 PolarHBondContact OG-NZ 3.13Å; S447-K451 VanDerWaalsContact OG-NZ 3.11Å
448	D	47.9	Very low	51.3	Low	50 Å²	50	110.1 Å²	110.1	27%	0.267	54%	0.535	S	S	.	.	H	α-helix	trans	-78.5	-35.2	179.8	-67.3	-10.9	0	0	0	110.7	R444 A445 N446 K451 R452	R444-D448 WeakPolarHBondContact CG-OD2 3.36Å; R444-D448 IonicContact NE-OD2 2.72Å; R444-D448 PolarHBondContact NE-OD2 2.96Å; R444-D448 WeakPolarHBondContact O-CB 3.44Å; R444-D448 PolarHBondContact O-N 3.36Å; A445-D448 PolarHBondContact O-N 3.28Å; N446-D448 VanDerWaalsContact C-N 3.33Å; D448-K451 PolarHBondContact O-N 3.49Å; D448-K451 IonicContact OD1-NZ 3.37Å; D448-K451 PolarHBondContact OD1-NZ 3.15Å; D448-R452 WeakPolarHBondContact O-CB 3.44Å; D448-R452 WeakPolarHBondContact O-CG 3.5Å; D448-R452 PolarHBondContact O-N 2.79Å
449	Q	50.8	Low	53	Low	74 Å²	74	107.2 Å²	107.2	35%	0.346	51%	0.513	S	S	.	.	H	α-helix	trans	-62.2	-42.1	167	-173.6	69	-8.8	0	0	111.9	N281 A445 R452 V453	N281-Q449 PolarHBondContact ND2-NE2 3.26Å; A445-Q449 PolarHBondContact O-N 2.95Å; Q449-R452 PolarHBondContact O-N 2.68Å; Q449-V453 WeakPolarHBondContact O-CG2 3.38Å; Q449-V453 PolarHBondContact O-N 3.12Å
450	E	52.2	Low	54.7	Low	120 Å²	120	98.5 Å²	98.5	56%	0.561	48%	0.483	S	S	*	.	H	α-helix	trans	-66	-41	176	-171.5	167.5	-152.3	0	0	111.7	N446 S447 R452 V453 N454	N446-E450 WeakPolarHBondContact O-CB 3.06Å; N446-E450 PolarHBondContact O-N 3.01Å; N446-E450 VanDerWaalsContact O-N 3.09Å; S447-E450 PolarHBondContact O-N 3.44Å; E450-R452 PolarHBondContact O-N 2.87Å; E450-V453 PolarHBondContact O-N 3.34Å; E450-N454 WeakPolarHBondContact O-CB 3.36Å; E450-N454 VanDerWaalsContact O-CG 3.28Å; E450-N454 PolarHBondContact O-N 2.96Å; E450-N454 PolarHBondContact O-ND2 3.2Å
451	K	55.3	Low	56.7	Low	109 Å²	109	95.9 Å²	95.9	47%	0.474	47%	0.466	S	S	.	.	H	α-helix	trans	-60.9	-39.1	170.3	-74.1	163	-149.5	155.4	0	112.6	S447 D448 N454 L455	S447-K451 WeakPolarHBondContact O-CB 3.49Å; S447-K451 WeakPolarHBondContact O-CD 3.5Å; S447-K451 WeakPolarHBondContact O-CE 3.27Å; S447-K451 WeakPolarHBondContact O-CG 3.49Å; S447-K451 PolarHBondContact O-N 2.93Å; S447-K451 WeakPolarHBondContact OG-CE 3.46Å; S447-K451 PolarHBondContact OG-NZ 3.13Å; S447-K451 VanDerWaalsContact OG-NZ 3.11Å; D448-K451 PolarHBondContact O-N 3.49Å; D448-K451 IonicContact OD1-NZ 3.37Å; D448-K451 PolarHBondContact OD1-NZ 3.15Å; K451-N454 CarbonylContact O-C 3.58Å; K451-N454 PolarHBondContact O-N 3Å; K451-L455 WeakPolarHBondContact O-CB 3.49Å; K451-L455 PolarHBondContact O-N 3.24Å
452	R	56.2	Low	58.6	Low	80 Å²	80	91.1 Å²	91.1	30%	0.302	45%	0.453	S	S	.	.	H	α-helix	trans	-73.8	-34.9	179.7	-72.7	175.3	85.8	-164.8	23.9	112.8	E253 D255 D448 Q449 E450 N454 L455 R456	E253-R452 PolarHBondContact O-NH2 3.17Å; D255-R452 IonicContact OD2-CZ 2.68Å; D255-R452 IonicContact OD2-NH1 2.76Å; D255-R452 PolarHBondContact OD2-NH1 3.06Å; D255-R452 IonicContact OD2-NH2 3.8Å; D255-R452 PolarHBondContact OD2-NH2 3.18Å; D448-R452 WeakPolarHBondContact O-CB 3.44Å; D448-R452 WeakPolarHBondContact O-CG 3.5Å; D448-R452 PolarHBondContact O-N 2.79Å; Q449-R452 PolarHBondContact O-N 2.68Å; E450-R452 PolarHBondContact O-N 2.87Å; R452-N454 VanDerWaalsContact C-N 3.34Å; R452-L455 PolarHBondContact O-N 3.04Å; R452-R456 PolarHBondContact O-N 3.5Å
453	V	59.9	Low	60.4	Low	68 Å²	68	85.7 Å²	85.7	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-63.9	-42.4	167.9	173.9	0	0	0	0	110.5	N281 Q449 E450 R456 K457	N281-V453 WeakPolarHBondContact ND2-CG2 3.48Å; Q449-V453 WeakPolarHBondContact O-CG2 3.38Å; Q449-V453 PolarHBondContact O-N 3.12Å; E450-V453 PolarHBondContact O-N 3.34Å; V453-R456 PolarHBondContact O-N 3.5Å; V453-K457 WeakPolarHBondContact O-CB 3.44Å; V453-K457 PolarHBondContact O-N 3.01Å
454	N	69.4	Low	62.5	Low	82 Å²	82	88.1 Å²	88.1	44%	0.439	43%	0.427	S	S	.	.	H	α-helix	trans	-65.7	-35.1	173.9	-72.8	-27.3	0	0	0	112.7	E450 K451 R452 K457 L458	E450-N454 WeakPolarHBondContact O-CB 3.36Å; E450-N454 VanDerWaalsContact O-CG 3.28Å; E450-N454 PolarHBondContact O-N 2.96Å; E450-N454 PolarHBondContact O-ND2 3.2Å; K451-N454 CarbonylContact O-C 3.58Å; K451-N454 PolarHBondContact O-N 3Å; R452-N454 VanDerWaalsContact C-N 3.34Å; N454-K457 PolarHBondContact O-N 3.12Å; N454-L458 VanDerWaalsContact O-CB 3.32Å; N454-L458 WeakPolarHBondContact O-CB 3.25Å; N454-L458 VanDerWaalsContact O-CG 3.24Å; N454-L458 WeakPolarHBondContact O-CG 3.44Å; N454-L458 PolarHBondContact O-N 3.12Å
455	L	68.1	Low	64.7	Low	108 Å²	108	84.2 Å²	84.2	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-70	-43.5	176.5	-176.3	62.8	0	0	0	111.5	K451 R452 K457 L458 K459	K451-L455 WeakPolarHBondContact O-CB 3.49Å; K451-L455 PolarHBondContact O-N 3.24Å; R452-L455 PolarHBondContact O-N 3.04Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 2.75Å; L455-L458 PolarHBondContact O-N 2.94Å; L455-K459 PolarHBondContact O-N 3.44Å
456	R	63.9	Low	66.8	Low	109 Å²	109	84.8 Å²	84.8	41%	0.411	41%	0.408	S	S	.	.	H	α-helix	trans	-58.7	-43.2	170.8	-176.9	178.2	178.3	-167.5	-2.1	110.6	L250 R452 V453 L460	L250-R456 HydrophobicContact CD2-CG 4.21Å; R452-R456 PolarHBondContact O-N 3.5Å; V453-R456 PolarHBondContact O-N 3.5Å; R456-L460 HydrophobicContact CG-CD1 4.12Å; R456-L460 WeakPolarHBondContact O-CB 3.49Å; R456-L460 VanDerWaalsContact O-CG 3.25Å; R456-L460 WeakPolarHBondContact O-CG 3.32Å; R456-L460 PolarHBondContact O-N 3.5Å
457	K	72.1	Confident	69	Low	136 Å²	136	79.2 Å²	79.2	59%	0.591	38%	0.378	S	S	*	.	H	α-helix	trans	-64.5	-44.2	176.3	-169.8	-171.6	174.1	-167.2	0	112.1	V453 N454 L455 L460 Q461	V453-K457 WeakPolarHBondContact O-CB 3.44Å; V453-K457 PolarHBondContact O-N 3.01Å; N454-K457 PolarHBondContact O-N 3.12Å; L455-K457 VanDerWaalsContact C-N 3.29Å; L455-K457 PolarHBondContact O-N 2.75Å; K457-L460 PolarHBondContact O-N 2.78Å; K457-Q461 WeakPolarHBondContact O-CB 3.32Å; K457-Q461 PolarHBondContact O-N 3Å
458	L	77.1	Confident	71.1	Confident	105 Å²	105	79.6 Å²	79.6	55%	0.55	37%	0.373	S	S	.	.	H	α-helix	trans	-62.6	-43.3	177.9	-80.1	164	0	0	0	111.5	N454 L455 Q461 E462	N454-L458 VanDerWaalsContact O-CB 3.32Å; N454-L458 WeakPolarHBondContact O-CB 3.25Å; N454-L458 VanDerWaalsContact O-CG 3.24Å; N454-L458 WeakPolarHBondContact O-CG 3.44Å; N454-L458 PolarHBondContact O-N 3.12Å; L455-L458 PolarHBondContact O-N 2.94Å; L458-Q461 CarbonylContact O-C 3.59Å; L458-Q461 PolarHBondContact O-N 2.89Å; L458-E462 WeakPolarHBondContact O-CB 3.22Å; L458-E462 PolarHBondContact O-N 3.27Å
459	K	74.4	Confident	73	Confident	59 Å²	59	82.9 Å²	82.9	26%	0.257	39%	0.387	S	S	.	.	H	α-helix	trans	-73.2	-32	179	-166.3	164.1	-174.9	-170.9	0	113.2	E248 G249 L455 E462 M463	E248-K459 PolarHBondContact O-NZ 2.85Å; G249-K459 WeakPolarHBondContact O-CD 3.48Å; G249-K459 WeakPolarHBondContact O-CE 3.09Å; G249-K459 WeakPolarHBondContact O-CG 3.45Å; G249-K459 PolarHBondContact O-NZ 3.38Å; L455-K459 PolarHBondContact O-N 3.44Å; K459-E462 PolarHBondContact O-N 3.43Å; K459-M463 WeakPolarHBondContact O-CG 3.46Å; K459-M463 PolarHBondContact O-N 2.96Å; K459-M463 VanDerWaalsContact O-N 3.1Å
460	L	75.8	Confident	74.7	Confident	47 Å²	47	81.2 Å²	81.2	25%	0.246	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-45.9	166.7	-73.1	168.2	0	0	0	111	M244 R456 K457 E462 M463 E464	M244-L460 HydrophobicContact CE-CD2 3.98Å; M244-L460 HydrophobicContact SD-CD2 4.02Å; R456-L460 HydrophobicContact CG-CD1 4.12Å; R456-L460 WeakPolarHBondContact O-CB 3.49Å; R456-L460 VanDerWaalsContact O-CG 3.25Å; R456-L460 WeakPolarHBondContact O-CG 3.32Å; R456-L460 PolarHBondContact O-N 3.5Å; K457-L460 PolarHBondContact O-N 2.78Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.29Å; L460-M463 HydrophobicContact CD2-CE 4.11Å; L460-M463 PolarHBondContact O-N 2.92Å; L460-E464 WeakPolarHBondContact O-CG 3.41Å; L460-E464 PolarHBondContact O-N 2.92Å
461	Q	79.6	Confident	76.5	Confident	80 Å²	80	76 Å²	76	37%	0.374	36%	0.355	S	S	.	.	H	α-helix	trans	-63.7	-37.1	176.9	-169.9	-172.9	-41.4	0	0	112.3	K457 L458 E464 E465	K457-Q461 WeakPolarHBondContact O-CB 3.32Å; K457-Q461 PolarHBondContact O-N 3Å; L458-Q461 CarbonylContact O-C 3.59Å; L458-Q461 PolarHBondContact O-N 2.89Å; Q461-E464 CarbonylContact O-C 3.58Å; Q461-E464 PolarHBondContact O-N 2.86Å; Q461-E465 PolarHBondContact NE2-OE1 2.91Å; Q461-E465 WeakPolarHBondContact O-CB 3.45Å; Q461-E465 WeakPolarHBondContact O-CG 3.49Å; Q461-E465 PolarHBondContact O-N 3.45Å
462	E	83.3	Confident	78.1	Confident	108 Å²	108	74.6 Å²	74.6	51%	0.505	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-49.3	174.4	-176.4	172.4	-133.8	0	0	110.7	L458 K459 L460 E464 E465 E466	L458-E462 WeakPolarHBondContact O-CB 3.22Å; L458-E462 PolarHBondContact O-N 3.27Å; K459-E462 PolarHBondContact O-N 3.43Å; L460-E462 VanDerWaalsContact C-N 3.34Å; L460-E462 PolarHBondContact O-N 3.29Å; E462-E464 PolarHBondContact O-N 2.89Å; E462-E465 PolarHBondContact O-N 2.85Å; E462-E466 WeakPolarHBondContact O-CB 3.49Å; E462-E466 VanDerWaalsContact O-CG 3.29Å; E462-E466 WeakPolarHBondContact O-CG 3.4Å; E462-E466 PolarHBondContact O-N 3.41Å
463	M	79	Confident	79.8	Confident	13 Å²	13	72 Å²	72	6%	0.064	35%	0.346	C	S	.	.	H	α-helix	trans	-66.7	-34	174.6	-60.7	-171.4	-52	0	0	112.8	M240 M244 K459 L460 E465 E466 F467 F470	M240-M463 HydrophobicContact CE-CB 4.08Å; M240-M463 VanDerWaalsContact CE-O 3.25Å; M240-M463 WeakPolarHBondContact CE-O 3.18Å; M240-M463 HydrophobicContact SD-CB 3.64Å; M240-M463 HydrophobicContact SD-CE 4.14Å; M240-M463 HydrophobicContact SD-SD 4.37Å; M244-M463 HydrophobicContact CG-CE 3.65Å; M244-M463 HydrophobicContact SD-CE 4.46Å; K459-M463 WeakPolarHBondContact O-CG 3.46Å; K459-M463 PolarHBondContact O-N 2.96Å; K459-M463 VanDerWaalsContact O-N 3.1Å; L460-M463 HydrophobicContact CD2-CE 4.11Å; L460-M463 PolarHBondContact O-N 2.92Å; M463-E465 VanDerWaalsContact C-N 3.35Å; M463-E466 CarbonylContact O-C 3.51Å; M463-E466 PolarHBondContact O-N 3.05Å; M463-F467 WeakPolarHBondContact O-CA 3.5Å; M463-F467 PolarHBondContact O-N 3.19Å; M463-F470 HydrophobicContact CB-CE2 4.2Å; M463-F470 HydrophobicContact CB-CZ 4.15Å; M463-F470 HydrophobicContact CG-CZ 4.15Å; M463-F470 HydrophobicContact SD-CZ 4.25Å
464	E	82.9	Confident	81.2	Confident	105 Å²	105	74 Å²	74	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-33.9	171.3	-74.1	173.8	169.4	0	0	112.3	L460 Q461 E462 F467 N503	L460-E464 WeakPolarHBondContact O-CG 3.41Å; L460-E464 PolarHBondContact O-N 2.92Å; Q461-E464 CarbonylContact O-C 3.58Å; Q461-E464 PolarHBondContact O-N 2.86Å; E462-E464 PolarHBondContact O-N 2.89Å; E464-F467 WeakPolarHBondContact O-CD1 3.34Å; E464-N503 VanDerWaalsContact O-CB 3.31Å; E464-N503 WeakPolarHBondContact O-CB 3.29Å; E464-N503 PolarHBondContact O-ND2 3.09Å
465	E	84.7	Confident	82.2	Confident	92 Å²	92	74.7 Å²	74.7	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-74.6	-30.8	175	-75.7	177.7	-151.4	0	0	112.7	Q461 E462 M463 Y468 K499	Q461-E465 PolarHBondContact NE2-OE1 2.91Å; Q461-E465 WeakPolarHBondContact O-CB 3.45Å; Q461-E465 WeakPolarHBondContact O-CG 3.49Å; Q461-E465 PolarHBondContact O-N 3.45Å; E462-E465 PolarHBondContact O-N 2.85Å; M463-E465 VanDerWaalsContact C-N 3.35Å; E465-Y468 WeakPolarHBondContact O-CE1 3.28Å; E465-K499 PolarHBondContact O-NZ 3.48Å
466	E	85.9	Confident	83.2	Confident	75 Å²	75	69.6 Å²	69.6	35%	0.35	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	11.2	178.4	-59.5	-124.6	95	0	0	113.9	E462 M463 Y468 Q469	E462-E466 WeakPolarHBondContact O-CB 3.49Å; E462-E466 VanDerWaalsContact O-CG 3.29Å; E462-E466 WeakPolarHBondContact O-CG 3.4Å; E462-E466 PolarHBondContact O-N 3.41Å; M463-E466 CarbonylContact O-C 3.51Å; M463-E466 PolarHBondContact O-N 3.05Å; E466-Y468 PolarHBondContact O-N 3.02Å; E466-Y468 PolarHBondContact OE1-OH 2.73Å; E466-Q469 HydrophobicContact CB-CG 4.49Å; E466-Q469 PolarHBondContact O-N 2.7Å; E466-Q469 PolarHBondContact OE1-NE2 3.14Å; E466-Q469 PolarHBondContact OE2-NE2 2.84Å
467	F	88	Confident	84.6	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-46	-27.3	-171.7	74	-92.6	0	0	0	116.2	C236 M240 M463 E464 Q469 F470 W494 K495 R498 K499 N503	C236-F467 PolarHBondContact SG-O 3.23Å; C236-F467 VanDerWaalsContact SG-O 3.37Å; M240-F467 HydrophobicContact CE-CB 4.38Å; M463-F467 WeakPolarHBondContact O-CA 3.5Å; M463-F467 PolarHBondContact O-N 3.19Å; E464-F467 WeakPolarHBondContact O-CD1 3.34Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 2.8Å; F467-F470 PolarHBondContact O-N 3.32Å; F467-W494 AromaticContact CD2-CH2 3.54Å; F467-W494 HydrophobicContact CD2-CH2 3.54Å; F467-W494 HydrophobicContact CD2-CZ2 4.01Å; F467-W494 HydrophobicContact CD2-CZ3 4.08Å; F467-W494 HydrophobicContact CE2-CE3 4.28Å; F467-W494 AromaticContact CE2-CH2 3.63Å; F467-W494 HydrophobicContact CE2-CH2 3.63Å; F467-W494 HydrophobicContact CE2-CZ2 4.02Å; F467-W494 AromaticContact CE2-CZ3 3.76Å; F467-W494 HydrophobicContact CE2-CZ3 3.76Å; F467-K495 HydrophobicContact CZ-CG 4.26Å; F467-R498 HydrophobicContact CE1-CB 4.06Å; F467-R498 HydrophobicContact CE2-CB 3.71Å; F467-R498 VanDerWaalsContact CE2-CD 3.47Å; F467-R498 HydrophobicContact CE2-CG 4.19Å; F467-R498 HydrophobicContact CZ-CB 3.43Å; F467-R498 VanDerWaalsContact CZ-CB 3.43Å; F467-R498 HydrophobicContact CZ-CG 4.37Å; F467-K499 HydrophobicContact CE1-CD 4.43Å; F467-K499 HydrophobicContact CE1-CG 3.71Å; F467-K499 HydrophobicContact CZ-CG 4.05Å; F467-N503 HydrophobicContact CD1-CB 4.21Å; F467-N503 HydrophobicContact CE1-CB 4.45Å
468	Y	87.7	Confident	85.5	Confident	51 Å²	51	64.4 Å²	64.4	20%	0.2	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-75	-12.4	-178.4	56.4	-101.3	0	0	0	114	E465 E466 Y491 K495	E465-Y468 WeakPolarHBondContact O-CE1 3.28Å; E466-Y468 PolarHBondContact O-N 3.02Å; E466-Y468 PolarHBondContact OE1-OH 2.73Å; Y468-Y491 PolarHBondContact O-OH 2.73Å; Y468-K495 HydrophobicContact CG-CD 4.14Å
469	Q	87.4	Confident	86.1	Confident	118 Å²	118	62.5 Å²	62.5	55%	0.551	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-76.5	-25.9	174.4	-61.8	-162.1	40.2	0	0	112	E466 F467 V471	E466-Q469 HydrophobicContact CB-CG 4.49Å; E466-Q469 PolarHBondContact O-N 2.7Å; E466-Q469 PolarHBondContact OE1-NE2 3.14Å; E466-Q469 PolarHBondContact OE2-NE2 2.84Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 2.8Å; Q469-V471 PolarHBondContact O-N 3.04Å; Q469-V471 VanDerWaalsContact O-N 3.12Å
470	F	86.1	Confident	86.7	Confident	40 Å²	40	60.6 Å²	60.6	18%	0.175	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-80.3	18	-178	-57.3	-85.6	0	0	0	113.7	N239 M240 A243 M463 F467	N239-F470 HydrophobicContact CB-CB 3.95Å; N239-F470 HydrophobicContact CB-CD1 4.47Å; N239-F470 WeakPolarHBondContact CB-O 3.5Å; N239-F470 PolarHBondContact ND2-O 3.35Å; M240-F470 HydrophobicContact CE-CD2 3.6Å; M240-F470 HydrophobicContact CE-CE2 3.62Å; M240-F470 HydrophobicContact CE-CG 4.27Å; M240-F470 HydrophobicContact CE-CZ 4.31Å; M240-F470 HydrophobicContact SD-CD2 4.24Å; M240-F470 HydrophobicContact SD-CE1 4.38Å; M240-F470 HydrophobicContact SD-CE2 3.94Å; M240-F470 HydrophobicContact SD-CZ 4.02Å; A243-F470 HydrophobicContact CB-CD1 4.25Å; A243-F470 HydrophobicContact CB-CE1 3.6Å; M463-F470 HydrophobicContact CB-CE2 4.2Å; M463-F470 HydrophobicContact CB-CZ 4.15Å; M463-F470 HydrophobicContact CG-CZ 4.15Å; M463-F470 HydrophobicContact SD-CZ 4.25Å; F467-F470 PolarHBondContact O-N 3.32Å
471	V	89.8	Confident	87.4	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.055	32%	0.321	C	S	.	.			trans	-141.4	115.7	-175.9	173.9	0	0	0	0	109.9	F232 C236 Q469 Y491 W494	F232-V471 HydrophobicContact CD1-CG1 3.48Å; F232-V471 VanDerWaalsContact CD1-CG1 3.48Å; F232-V471 HydrophobicContact CE1-CG1 3.94Å; F232-V471 HydrophobicContact CG-CG1 4.47Å; C236-V471 HydrophobicContact CB-CG2 3.52Å; Q469-V471 PolarHBondContact O-N 3.04Å; Q469-V471 VanDerWaalsContact O-N 3.12Å; V471-Y491 HydrophobicContact CB-CE2 4.16Å; V471-Y491 HydrophobicContact CG1-CD2 4.02Å; V471-Y491 HydrophobicContact CG1-CE2 3.94Å; V471-W494 HydrophobicContact CB-CH2 4.36Å; V471-W494 HydrophobicContact CB-CZ3 4.35Å; V471-W494 HydrophobicContact CG2-CH2 3.66Å; V471-W494 HydrophobicContact CG2-CZ2 4.44Å; V471-W494 HydrophobicContact CG2-CZ3 4.13Å
472	D	88.9	Confident	87.9	Confident	80 Å²	80	66 Å²	66	43%	0.428	32%	0.316	S	S	.	.			trans	-91.3	125.1	168.8	-174.7	0.4	0	0	0	110.7	E474 E475 V476	D472-E474 VanDerWaalsContact C-N 3.28Å; D472-E474 PolarHBondContact O-N 2.86Å; D472-E474 PolarHBondContact OD1-N 3.2Å; D472-E475 HydrophobicContact CB-CB 3.98Å; D472-E475 PolarHBondContact O-N 3.35Å; D472-V476 PolarHBondContact O-N 3.1Å
473	V	90.9	Very high	88.1	Confident	27 Å²	27	63.1 Å²	63.1	16%	0.164	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-36	175.6	178.6	0	0	0	0	111	A477 V487 D488 Y491	V473-A477 VanDerWaalsContact O-CB 3.29Å; V473-A477 WeakPolarHBondContact O-CB 3.36Å; V473-A477 PolarHBondContact O-N 2.96Å; V473-A477 VanDerWaalsContact O-N 3.08Å; V473-V487 HydrophobicContact CG1-CB 4.16Å; V473-V487 HydrophobicContact CG1-CG1 3.99Å; V473-D488 HydrophobicContact CG1-CB 4.07Å; V473-Y491 HydrophobicContact CG2-CD1 3.87Å; V473-Y491 HydrophobicContact CG2-CD2 3.79Å; V473-Y491 HydrophobicContact CG2-CE1 4.34Å; V473-Y491 HydrophobicContact CG2-CE2 4.25Å; V473-Y491 HydrophobicContact CG2-CG 3.58Å
474	E	90.1	Very high	88.6	Confident	108 Å²	108	65.4 Å²	65.4	51%	0.505	33%	0.326	S	S	.	.	H	α-helix	trans	-69.8	-36	177.4	-66.6	-162.6	-169.7	0	0	112.4	D472 K478	D472-E474 VanDerWaalsContact C-N 3.28Å; D472-E474 PolarHBondContact O-N 2.86Å; D472-E474 PolarHBondContact OD1-N 3.2Å; E474-K478 VanDerWaalsContact CB-NZ 3.32Å; E474-K478 WeakPolarHBondContact O-CB 3.47Å; E474-K478 WeakPolarHBondContact O-CD 3.31Å; E474-K478 WeakPolarHBondContact O-CE 3.36Å; E474-K478 WeakPolarHBondContact O-CG 3.49Å; E474-K478 PolarHBondContact O-N 3.27Å; E474-K478 WeakPolarHBondContact OE2-CE 3.36Å; E474-K478 IonicContact OE2-NZ 3.83Å; E474-K478 PolarHBondContact OE2-NZ 2.68Å
475	E	90.3	Very high	88.7	Confident	98 Å²	98	66 Å²	66	46%	0.458	33%	0.329	S	S	.	.	H	α-helix	trans	-65.7	-48.1	179.2	-175.5	171.6	-144.9	0	0	111.1	D472 A477 K478 S479	D472-E475 HydrophobicContact CB-CB 3.98Å; D472-E475 PolarHBondContact O-N 3.35Å; E475-A477 VanDerWaalsContact C-N 3.33Å; E475-A477 PolarHBondContact O-N 3.28Å; E475-K478 WeakPolarHBondContact O-CB 3.14Å; E475-K478 PolarHBondContact O-N 3.49Å; E475-K478 VanDerWaalsContact O-N 3.13Å; E475-S479 PolarHBondContact O-N 3.11Å
476	V	90.3	Very high	88.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.7	-37.6	177.1	175.7	0	0	0	0	111.6	E231 F232 C235 D472 K478 S479 L480 V487	E231-V476 HydrophobicContact CB-CG1 3.94Å; F232-V476 HydrophobicContact CD1-CB 4.22Å; F232-V476 HydrophobicContact CD1-CG1 4.05Å; F232-V476 HydrophobicContact CD1-CG2 3.81Å; F232-V476 HydrophobicContact CE1-CB 3.89Å; F232-V476 HydrophobicContact CE1-CG1 3.81Å; F232-V476 HydrophobicContact CE1-CG2 3.94Å; F232-V476 HydrophobicContact CZ-CG1 4.39Å; C235-V476 HydrophobicContact CB-CG2 4.42Å; D472-V476 PolarHBondContact O-N 3.1Å; V476-K478 VanDerWaalsContact C-N 3.34Å; V476-K478 PolarHBondContact O-N 2.88Å; V476-S479 PolarHBondContact O-N 3.08Å; V476-L480 HydrophobicContact CG1-CD1 4.07Å; V476-L480 PolarHBondContact O-N 3.4Å; V476-V487 HydrophobicContact CB-CG1 4.32Å; V476-V487 HydrophobicContact CG1-CG1 4.1Å
477	A	92.2	Very high	89.1	Confident	4 Å²	4	59 Å²	59	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-38.9	172.7	0	0	0	0	0	112.6	V473 E475 K481 L482 P484 V487	V473-A477 VanDerWaalsContact O-CB 3.29Å; V473-A477 WeakPolarHBondContact O-CB 3.36Å; V473-A477 PolarHBondContact O-N 2.96Å; V473-A477 VanDerWaalsContact O-N 3.08Å; E475-A477 VanDerWaalsContact C-N 3.33Å; E475-A477 PolarHBondContact O-N 3.28Å; A477-K481 WeakPolarHBondContact O-CA 3.48Å; A477-K481 PolarHBondContact O-N 2.74Å; A477-L482 PolarHBondContact O-N 2.84Å; A477-P484 HydrophobicContact CB-CB 4.23Å; A477-P484 HydrophobicContact CB-CG 4.05Å; A477-V487 HydrophobicContact CB-CB 4.24Å; A477-V487 HydrophobicContact CB-CG1 4.46Å; A477-V487 HydrophobicContact CB-CG2 3.95Å
478	K	90.8	Very high	89.2	Confident	133 Å²	133	60.1 Å²	60.1	58%	0.578	30%	0.303	S	S	*	.	H	α-helix	trans	-68.7	-40.3	175	-69.2	156.1	-163.2	161.4	0	111.9	E474 E475 V476	E474-K478 VanDerWaalsContact CB-NZ 3.32Å; E474-K478 WeakPolarHBondContact O-CB 3.47Å; E474-K478 WeakPolarHBondContact O-CD 3.31Å; E474-K478 WeakPolarHBondContact O-CE 3.36Å; E474-K478 WeakPolarHBondContact O-CG 3.49Å; E474-K478 PolarHBondContact O-N 3.27Å; E474-K478 WeakPolarHBondContact OE2-CE 3.36Å; E474-K478 IonicContact OE2-NZ 3.83Å; E474-K478 PolarHBondContact OE2-NZ 2.68Å; E475-K478 WeakPolarHBondContact O-CB 3.14Å; E475-K478 PolarHBondContact O-N 3.49Å; E475-K478 VanDerWaalsContact O-N 3.13Å; V476-K478 VanDerWaalsContact C-N 3.34Å; V476-K478 PolarHBondContact O-N 2.88Å
479	S	89.3	Confident	89.3	Confident	65 Å²	65	58.1 Å²	58.1	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-59.1	-55.8	175.1	-179.4	0	0	0	0	111.3	E231 E475 V476 K481	E231-S479 WeakPolarHBondContact OE2-CB 3.45Å; E231-S479 PolarHBondContact OE2-OG 3.05Å; E475-S479 PolarHBondContact O-N 3.11Å; V476-S479 PolarHBondContact O-N 3.08Å; S479-K481 VanDerWaalsContact C-N 3.35Å; S479-K481 PolarHBondContact O-N 2.79Å
480	L	88.6	Confident	89.5	Confident	18 Å²	18	52.5 Å²	52.5	9%	0.094	27%	0.27	C	S	.	.	H	α-helix	trans	-82.2	-9.6	-174.7	-68.2	174.6	0	0	0	114.4	R227 V228 E231 V476 L482	R227-L480 HydrophobicContact CB-CD2 4.26Å; V228-L480 HydrophobicContact CB-CD1 4.12Å; V228-L480 HydrophobicContact CG2-CD1 3.46Å; V228-L480 VanDerWaalsContact CG2-CD1 3.46Å; E231-L480 HydrophobicContact CB-CD1 4.27Å; E231-L480 HydrophobicContact CG-CD1 3.92Å; E231-L480 HydrophobicContact CG-CD2 3.87Å; E231-L480 HydrophobicContact CG-CG 3.93Å; V476-L480 HydrophobicContact CG1-CD1 4.07Å; V476-L480 PolarHBondContact O-N 3.4Å; L480-L482 HydrophobicContact CB-CD1 3.74Å; L480-L482 HydrophobicContact CB-CG 3.83Å; L480-L482 HydrophobicContact CD1-CD1 4.05Å
481	K	90.1	Very high	89.8	Confident	191 Å²	191	51.8 Å²	51.8	83%	0.83	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	41.8	-177.3	-52.6	171.6	-172.8	170.6	0	112.7	A477 S479	A477-K481 WeakPolarHBondContact O-CA 3.48Å; A477-K481 PolarHBondContact O-N 2.74Å; S479-K481 VanDerWaalsContact C-N 3.35Å; S479-K481 PolarHBondContact O-N 2.79Å
482	L	89.8	Confident	89.9	Confident	50 Å²	50	53.9 Å²	53.9	26%	0.262	28%	0.275	S	S	.	.			trans	-105.8	163.5	-179.2	-61.4	174.7	0	0	0	111.2	T224 V228 A477 L480 V487	T224-L482 HydrophobicContact CG2-CD1 3.54Å; T224-L482 HydrophobicContact CG2-CD2 3.78Å; T224-L482 HydrophobicContact CG2-CG 4.31Å; V228-L482 HydrophobicContact CG2-CD1 3.5Å; A477-L482 PolarHBondContact O-N 2.84Å; L480-L482 HydrophobicContact CB-CD1 3.74Å; L480-L482 HydrophobicContact CB-CG 3.83Å; L480-L482 HydrophobicContact CD1-CD1 4.05Å; L482-V487 HydrophobicContact CB-CG2 3.74Å; L482-V487 HydrophobicContact CD1-CG2 4.08Å
483	A	87.6	Confident	90	Very high	48 Å²	48	51 Å²	51	40%	0.397	26%	0.258	S	S	.	.			trans	-68.3	125.6	171.8	0	0	0	0	0	110	E485 V486 V487	A483-E485 PolarHBondContact O-N 2.99Å; A483-E485 VanDerWaalsContact O-N 3.12Å; A483-V486 HydrophobicContact CB-CG2 4.18Å; A483-V486 WeakPolarHBondContact O-CB 3.36Å; A483-V486 PolarHBondContact O-N 3.04Å; A483-V487 PolarHBondContact O-N 3.34Å
484	P	88.6	Confident	90.1	Very high	60 Å²	60	49.7 Å²	49.7	39%	0.39	25%	0.25	S	S	.	.	H	α-helix	trans	-55.8	-30.9	-178.3	-26.8	35.3	0	0	0	113.8	A477 V486 V487 D488	A477-P484 HydrophobicContact CB-CB 4.23Å; A477-P484 HydrophobicContact CB-CG 4.05Å; P484-V486 PolarHBondContact O-N 3.38Å; P484-V487 PolarHBondContact O-N 3.47Å; P484-D488 PolarHBondContact O-N 3.25Å
485	E	86.4	Confident	90.1	Very high	119 Å²	119	46.9 Å²	46.9	56%	0.556	24%	0.237	S	C	*	.	H	α-helix	trans	-63.2	-39.6	176.9	-57.8	81.4	178.1	0	0	112.1	A483 F489	A483-E485 PolarHBondContact O-N 2.99Å; A483-E485 VanDerWaalsContact O-N 3.12Å; E485-F489 WeakPolarHBondContact O-CD2 3.38Å; E485-F489 PolarHBondContact O-N 2.73Å
486	V	87.6	Confident	90.1	Very high	18 Å²	18	45.5 Å²	45.5	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-68.5	-40.5	175.9	173.9	0	0	0	0	110.3	F212 V217 L220 A483 P484 F489 V490	F212-V486 HydrophobicContact CE2-CG1 3.94Å; F212-V486 HydrophobicContact CE2-CG2 4.18Å; F212-V486 HydrophobicContact CZ-CG1 4.19Å; F212-V486 HydrophobicContact CZ-CG2 4.34Å; V217-V486 HydrophobicContact CG1-CG2 3.75Å; L220-V486 HydrophobicContact CD1-CG1 4.24Å; A483-V486 HydrophobicContact CB-CG2 4.18Å; A483-V486 WeakPolarHBondContact O-CB 3.36Å; A483-V486 PolarHBondContact O-N 3.04Å; P484-V486 PolarHBondContact O-N 3.38Å; V486-F489 PolarHBondContact O-N 3.04Å; V486-V490 PolarHBondContact O-N 2.93Å
487	V	90.8	Very high	90.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-70.2	-33.3	-178.6	-177	0	0	0	0	111.6	F232 V473 V476 A477 L482 A483 P484 V490 Y491	F232-V487 HydrophobicContact CE1-CG1 3.98Å; F232-V487 HydrophobicContact CZ-CG1 3.54Å; V473-V487 HydrophobicContact CG1-CB 4.16Å; V473-V487 HydrophobicContact CG1-CG1 3.99Å; V476-V487 HydrophobicContact CB-CG1 4.32Å; V476-V487 HydrophobicContact CG1-CG1 4.1Å; A477-V487 HydrophobicContact CB-CB 4.24Å; A477-V487 HydrophobicContact CB-CG1 4.46Å; A477-V487 HydrophobicContact CB-CG2 3.95Å; L482-V487 HydrophobicContact CB-CG2 3.74Å; L482-V487 HydrophobicContact CD1-CG2 4.08Å; A483-V487 PolarHBondContact O-N 3.34Å; P484-V487 PolarHBondContact O-N 3.47Å; V487-V490 PolarHBondContact O-N 2.97Å; V487-Y491 WeakPolarHBondContact O-CB 3.46Å; V487-Y491 PolarHBondContact O-N 3.48Å
488	D	89.9	Confident	89.9	Confident	25 Å²	25	47 Å²	47	13%	0.134	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-43.4	171.5	-177.9	16.1	0	0	0	111.8	H37 K41 V473 P484 V490 Y491 Q492	H37-D488 IonicContact CE1-OD2 2.84Å; H37-D488 IonicContact NE2-OD2 3.27Å; K41-D488 WeakPolarHBondContact CE-OD2 3.49Å; K41-D488 IonicContact NZ-OD1 3.68Å; K41-D488 PolarHBondContact NZ-OD1 3.32Å; K41-D488 IonicContact NZ-OD2 3.24Å; K41-D488 PolarHBondContact NZ-OD2 2.75Å; V473-D488 HydrophobicContact CG1-CB 4.07Å; P484-D488 PolarHBondContact O-N 3.25Å; D488-V490 PolarHBondContact O-N 3.33Å; D488-Y491 WeakPolarHBondContact O-CB 3.4Å; D488-Y491 PolarHBondContact O-N 3.03Å; D488-Q492 WeakPolarHBondContact O-CG 3.46Å; D488-Q492 PolarHBondContact O-N 3.07Å; D488-Q492 PolarHBondContact OD1-NE2 2.77Å
489	F	90.2	Very high	89.7	Confident	10 Å²	10	45.2 Å²	45.2	4%	0.044	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-43.6	176.7	-70.7	-63.3	0	0	0	112.6	H37 L40 L44 I208 F212 M215 E485 V486 Q492 Y493	H37-F489 AromaticContact CD2-CZ 3.74Å; L40-F489 HydrophobicContact CB-CE1 4.28Å; L40-F489 HydrophobicContact CD2-CD1 4.46Å; L40-F489 HydrophobicContact CD2-CE1 3.53Å; L40-F489 HydrophobicContact CD2-CZ 3.74Å; L40-F489 HydrophobicContact CG-CE1 4.49Å; L44-F489 HydrophobicContact CD1-CD1 3.84Å; L44-F489 HydrophobicContact CD1-CE1 4.14Å; I208-F489 HydrophobicContact CD1-CB 4.38Å; I208-F489 HydrophobicContact CD1-CD1 4.18Å; I208-F489 HydrophobicContact CD1-CG 4.26Å; I208-F489 HydrophobicContact CG1-CB 4.48Å; F212-F489 HydrophobicContact CE1-CB 4.39Å; F212-F489 AromaticContact CE1-CD2 3.41Å; F212-F489 HydrophobicContact CE1-CD2 3.41Å; F212-F489 VanDerWaalsContact CE1-CD2 3.41Å; F212-F489 AromaticContact CE1-CE2 3.81Å; F212-F489 HydrophobicContact CE1-CE2 3.81Å; F212-F489 AromaticContact CE1-CG 3.98Å; F212-F489 HydrophobicContact CE1-CG 3.98Å; F212-F489 HydrophobicContact CZ-CB 4.23Å; F212-F489 AromaticContact CZ-CD2 3.73Å; F212-F489 HydrophobicContact CZ-CD2 3.73Å; F212-F489 HydrophobicContact CZ-CE2 4.49Å; F212-F489 HydrophobicContact CZ-CG 4.25Å; M215-F489 HydrophobicContact CE-CE2 4.17Å; M215-F489 HydrophobicContact CE-CZ 4.02Å; E485-F489 WeakPolarHBondContact O-CD2 3.38Å; E485-F489 PolarHBondContact O-N 2.73Å; V486-F489 PolarHBondContact O-N 3.04Å; F489-Q492 PolarHBondContact O-N 3.09Å; F489-Y493 PolarHBondContact O-N 3.35Å
490	V	91.8	Very high	89.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69	-36.7	175.8	-171.8	0	0	0	0	111.2	W204 L220 M225 V228 M229 F232 V486 V487 D488 Q492 Y493 W494	W204-V490 HydrophobicContact CH2-CG2 4.16Å; W204-V490 HydrophobicContact CZ3-CG2 4.33Å; L220-V490 HydrophobicContact CD2-CG2 3.64Å; M225-V490 HydrophobicContact CE-CG1 3.89Å; M225-V490 HydrophobicContact SD-CB 4.42Å; M225-V490 HydrophobicContact SD-CG1 3.56Å; M225-V490 VanDerWaalsContact SD-CG1 3.56Å; M225-V490 HydrophobicContact SD-CG2 3.92Å; V228-V490 HydrophobicContact CB-CG1 4.23Å; V228-V490 HydrophobicContact CG1-CB 3.78Å; V228-V490 HydrophobicContact CG1-CG1 3.5Å; V228-V490 HydrophobicContact CG1-CG2 4.32Å; M229-V490 HydrophobicContact CG-CG1 4.5Å; M229-V490 HydrophobicContact SD-CG1 4.08Å; F232-V490 HydrophobicContact CE2-CB 4.11Å; F232-V490 HydrophobicContact CE2-CG1 3.95Å; V486-V490 PolarHBondContact O-N 2.93Å; V487-V490 PolarHBondContact O-N 2.97Å; D488-V490 PolarHBondContact O-N 3.33Å; V490-Q492 PolarHBondContact O-N 3.28Å; V490-Y493 WeakPolarHBondContact O-CB 3.48Å; V490-Y493 PolarHBondContact O-N 3.08Å; V490-Y493 VanDerWaalsContact O-N 3.14Å; V490-W494 WeakPolarHBondContact O-CB 3.31Å; V490-W494 PolarHBondContact O-N 3.25Å
491	Y	91.9	Very high	89.5	Confident	24 Å²	24	48 Å²	48	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-43.2	174.7	172.2	-94.6	0	0	0	112	F232 Y468 V471 V473 V487 D488 Y493 W494 K495	F232-Y491 HydrophobicContact CE1-CD2 4.11Å; F232-Y491 HydrophobicContact CZ-CD2 4.31Å; F232-Y491 HydrophobicContact CZ-CG 4.43Å; Y468-Y491 PolarHBondContact O-OH 2.73Å; V471-Y491 HydrophobicContact CB-CE2 4.16Å; V471-Y491 HydrophobicContact CG1-CD2 4.02Å; V471-Y491 HydrophobicContact CG1-CE2 3.94Å; V473-Y491 HydrophobicContact CG2-CD1 3.87Å; V473-Y491 HydrophobicContact CG2-CD2 3.79Å; V473-Y491 HydrophobicContact CG2-CE1 4.34Å; V473-Y491 HydrophobicContact CG2-CE2 4.25Å; V473-Y491 HydrophobicContact CG2-CG 3.58Å; V487-Y491 WeakPolarHBondContact O-CB 3.46Å; V487-Y491 PolarHBondContact O-N 3.48Å; D488-Y491 WeakPolarHBondContact O-CB 3.4Å; D488-Y491 PolarHBondContact O-N 3.03Å; Y491-Y493 VanDerWaalsContact C-N 3.3Å; Y491-Y493 PolarHBondContact O-N 3.49Å; Y491-W494 AromaticContact CD2-CE3 3.99Å; Y491-W494 HydrophobicContact CD2-CE3 3.99Å; Y491-W494 HydrophobicContact CD2-CZ3 4.13Å; Y491-W494 HydrophobicContact CE2-CE3 4.19Å; Y491-W494 AromaticContact CE2-CZ3 3.89Å; Y491-W494 HydrophobicContact CE2-CZ3 3.89Å; Y491-K495 HydrophobicContact CE1-CD 4.12Å; Y491-K495 WeakPolarHBondContact O-CB 3.33Å; Y491-K495 PolarHBondContact O-N 2.88Å
492	Q	91	Very high	89.2	Confident	53 Å²	53	48 Å²	48	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-38.6	174.8	-57.8	-48	-38.7	0	0	111.5	D488 F489 V490 L496	D488-Q492 WeakPolarHBondContact O-CG 3.46Å; D488-Q492 PolarHBondContact O-N 3.07Å; D488-Q492 PolarHBondContact OD1-NE2 2.77Å; F489-Q492 PolarHBondContact O-N 3.09Å; V490-Q492 PolarHBondContact O-N 3.28Å; Q492-L496 WeakPolarHBondContact O-CG 3.44Å; Q492-L496 PolarHBondContact O-N 3.2Å; Q492-L496 VanDerWaalsContact O-N 3.1Å
493	Y	91.6	Very high	89	Confident	19 Å²	19	47.3 Å²	47.3	8%	0.075	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-50.6	176.4	176.6	-96.7	0	0	0	112.4	D201 W204 M225 M229 F489 V490 Y491 K495 L496 K497	D201-Y493 VanDerWaalsContact OD1-CE1 3.23Å; D201-Y493 WeakPolarHBondContact OD1-CE1 3.12Å; D201-Y493 PolarHBondContact OD1-OH 2.98Å; D201-Y493 VanDerWaalsContact OD1-OH 3.07Å; W204-Y493 HydrophobicContact CB-CD2 4.12Å; W204-Y493 HydrophobicContact CB-CE2 3.64Å; W204-Y493 AromaticContact CD1-CD2 3.47Å; W204-Y493 VanDerWaalsContact CD1-CD2 3.47Å; W204-Y493 AromaticContact CD1-CE2 3.78Å; W204-Y493 HydrophobicContact CD2-CD1 4.33Å; W204-Y493 AromaticContact CD2-CD2 3.44Å; W204-Y493 HydrophobicContact CD2-CD2 3.44Å; W204-Y493 VanDerWaalsContact CD2-CD2 3.44Å; W204-Y493 AromaticContact CD2-CE2 3.89Å; W204-Y493 HydrophobicContact CD2-CE2 3.89Å; W204-Y493 AromaticContact CD2-CG 3.69Å; W204-Y493 HydrophobicContact CD2-CG 3.69Å; W204-Y493 AromaticContact CE2-CD2 3.59Å; W204-Y493 AromaticContact CE2-CG 3.77Å; W204-Y493 HydrophobicContact CE3-CD1 4.19Å; W204-Y493 HydrophobicContact CE3-CD2 4.12Å; W204-Y493 HydrophobicContact CE3-CE2 4.49Å; W204-Y493 AromaticContact CE3-CG 3.95Å; W204-Y493 HydrophobicContact CE3-CG 3.95Å; W204-Y493 AromaticContact CG-CD2 3.39Å; W204-Y493 HydrophobicContact CG-CD2 3.39Å; W204-Y493 AromaticContact CG-CE2 3.45Å; W204-Y493 HydrophobicContact CG-CE2 3.45Å; W204-Y493 VanDerWaalsContact CG-CE2 3.45Å; W204-Y493 HydrophobicContact CG-CG 4.14Å; W204-Y493 HydrophobicContact CH2-CG 4.36Å; W204-Y493 HydrophobicContact CZ2-CD2 4.37Å; W204-Y493 HydrophobicContact CZ2-CG 4.13Å; W204-Y493 HydrophobicContact CZ3-CD1 4.49Å; W204-Y493 HydrophobicContact CZ3-CG 4.27Å; W204-Y493 AromaticContact NE1-CD2 3.57Å; M225-Y493 HydrophobicContact CE-CD1 3.7Å; M225-Y493 HydrophobicContact CE-CE1 3.88Å; M229-Y493 HydrophobicContact CE-CD1 4.44Å; M229-Y493 HydrophobicContact CE-CE1 4.25Å; M229-Y493 HydrophobicContact SD-CD1 4.41Å; F489-Y493 PolarHBondContact O-N 3.35Å; V490-Y493 WeakPolarHBondContact O-CB 3.48Å; V490-Y493 PolarHBondContact O-N 3.08Å; V490-Y493 VanDerWaalsContact O-N 3.14Å; Y491-Y493 VanDerWaalsContact C-N 3.3Å; Y491-Y493 PolarHBondContact O-N 3.49Å; Y493-K495 VanDerWaalsContact C-N 3.29Å; Y493-K495 PolarHBondContact O-N 3.29Å; Y493-L496 CarbonylContact O-C 3.5Å; Y493-L496 WeakPolarHBondContact O-CA 3.19Å; Y493-L496 WeakPolarHBondContact O-CB 3.45Å; Y493-L496 PolarHBondContact O-N 3.15Å; Y493-K497 HydrophobicContact CE1-CD 3.94Å; Y493-K497 PolarHBondContact O-N 3.3Å
494	W	93.1	Very high	88.7	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-52.1	-47	174.6	170.1	76.7	0	0	0	111.8	M229 F232 E233 C236 F467 V471 V490 Y491 L496 K497 R498	M229-W494 HydrophobicContact CE-CB 4.48Å; M229-W494 HydrophobicContact SD-CB 3.87Å; M229-W494 HydrophobicContact SD-CG 4.37Å; F232-W494 HydrophobicContact CB-CD2 3.89Å; F232-W494 HydrophobicContact CB-CE3 4.45Å; F232-W494 HydrophobicContact CB-CG 4.07Å; F232-W494 HydrophobicContact CB-CZ2 4.27Å; F232-W494 HydrophobicContact CD2-CB 3.96Å; F232-W494 HydrophobicContact CD2-CD2 4.31Å; F232-W494 AromaticContact CD2-CG 3.98Å; F232-W494 HydrophobicContact CD2-CG 3.98Å; F232-W494 HydrophobicContact CE2-CB 4.46Å; F232-W494 HydrophobicContact CG-CD2 4.26Å; F232-W494 HydrophobicContact CG-CG 4.34Å; E233-W494 PolarHBondContact OE1-NE1 3.2Å; C236-W494 HydrophobicContact CB-CH2 4.09Å; C236-W494 HydrophobicContact CB-CZ2 3.99Å; F467-W494 AromaticContact CD2-CH2 3.54Å; F467-W494 HydrophobicContact CD2-CH2 3.54Å; F467-W494 HydrophobicContact CD2-CZ2 4.01Å; F467-W494 HydrophobicContact CD2-CZ3 4.08Å; F467-W494 HydrophobicContact CE2-CE3 4.28Å; F467-W494 AromaticContact CE2-CH2 3.63Å; F467-W494 HydrophobicContact CE2-CH2 3.63Å; F467-W494 HydrophobicContact CE2-CZ2 4.02Å; F467-W494 AromaticContact CE2-CZ3 3.76Å; F467-W494 HydrophobicContact CE2-CZ3 3.76Å; V471-W494 HydrophobicContact CB-CH2 4.36Å; V471-W494 HydrophobicContact CB-CZ3 4.35Å; V471-W494 HydrophobicContact CG2-CH2 3.66Å; V471-W494 HydrophobicContact CG2-CZ2 4.44Å; V471-W494 HydrophobicContact CG2-CZ3 4.13Å; V490-W494 WeakPolarHBondContact O-CB 3.31Å; V490-W494 PolarHBondContact O-N 3.25Å; Y491-W494 AromaticContact CD2-CE3 3.99Å; Y491-W494 HydrophobicContact CD2-CE3 3.99Å; Y491-W494 HydrophobicContact CD2-CZ3 4.13Å; Y491-W494 HydrophobicContact CE2-CE3 4.19Å; Y491-W494 AromaticContact CE2-CZ3 3.89Å; Y491-W494 HydrophobicContact CE2-CZ3 3.89Å; W494-L496 VanDerWaalsContact C-N 3.35Å; W494-L496 PolarHBondContact O-N 3.48Å; W494-K497 PolarHBondContact O-N 2.87Å; W494-K497 VanDerWaalsContact O-N 3.16Å; W494-R498 PolarHBondContact O-N 3.05Å
495	K	90.8	Very high	88.5	Confident	49 Å²	49	52.6 Å²	52.6	21%	0.213	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-38.6	176.9	-176.2	171.4	-174.3	158.4	0	112.8	F467 Y468 Y491 Y493 K499	F467-K495 HydrophobicContact CZ-CG 4.26Å; Y468-K495 HydrophobicContact CG-CD 4.14Å; Y491-K495 HydrophobicContact CE1-CD 4.12Å; Y491-K495 WeakPolarHBondContact O-CB 3.33Å; Y491-K495 PolarHBondContact O-N 2.88Å; Y493-K495 VanDerWaalsContact C-N 3.29Å; Y493-K495 PolarHBondContact O-N 3.29Å; K495-K499 WeakPolarHBondContact O-CB 3.29Å; K495-K499 WeakPolarHBondContact O-CG 3.47Å; K495-K499 PolarHBondContact O-N 3.4Å
496	L	90.3	Very high	88.5	Confident	70 Å²	70	48.7 Å²	48.7	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-68.8	-41.7	172.5	-73.6	169.1	0	0	0	111.5	Q492 Y493 W494 K499 A500	Q492-L496 WeakPolarHBondContact O-CG 3.44Å; Q492-L496 PolarHBondContact O-N 3.2Å; Q492-L496 VanDerWaalsContact O-N 3.1Å; Y493-L496 CarbonylContact O-C 3.5Å; Y493-L496 WeakPolarHBondContact O-CA 3.19Å; Y493-L496 WeakPolarHBondContact O-CB 3.45Å; Y493-L496 PolarHBondContact O-N 3.15Å; W494-L496 VanDerWaalsContact C-N 3.35Å; W494-L496 PolarHBondContact O-N 3.48Å; L496-K499 PolarHBondContact O-N 3.41Å; L496-A500 WeakPolarHBondContact O-CB 3.09Å; L496-A500 PolarHBondContact O-N 2.64Å
497	K	89.2	Confident	88.2	Confident	28 Å²	28	49.2 Å²	49.2	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-65.1	-47	-178.7	-163.6	171.9	-166.5	175.8	0	112.2	Y195 N198 D201 M229 Y493 W494 K499 A500 N501 L506	Y195-K497 PolarHBondContact OH-NZ 3.34Å; N198-K497 PolarHBondContact OD1-NZ 3.12Å; D201-K497 IonicContact OD1-NZ 3.59Å; D201-K497 PolarHBondContact OD1-NZ 3.45Å; D201-K497 IonicContact OD2-NZ 2.64Å; D201-K497 PolarHBondContact OD2-NZ 2.99Å; M229-K497 HydrophobicContact CE-CD 4.08Å; Y493-K497 HydrophobicContact CE1-CD 3.94Å; Y493-K497 PolarHBondContact O-N 3.3Å; W494-K497 PolarHBondContact O-N 2.87Å; W494-K497 VanDerWaalsContact O-N 3.16Å; K497-K499 PolarHBondContact O-N 3.45Å; K497-A500 PolarHBondContact O-N 3.13Å; K497-N501 WeakPolarHBondContact O-CB 3.27Å; K497-N501 PolarHBondContact O-N 3.18Å; K497-L506 HydrophobicContact CD-CD1 4.32Å; K497-L506 HydrophobicContact CG-CD1 4.42Å
498	R	88.4	Confident	87.6	Confident	7 Å²	7	52.9 Å²	52.9	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-43.1	171.3	-93.1	-163.8	177.3	-164.3	9.1	112.1	E233 C236 F467 W494 A500 N501 F502 N503 L506	E233-R498 IonicContact OE1-CZ 2.64Å; E233-R498 IonicContact OE1-NE 3.13Å; E233-R498 PolarHBondContact OE1-NE 3.1Å; E233-R498 IonicContact OE1-NH2 2.7Å; E233-R498 PolarHBondContact OE1-NH2 3.08Å; E233-R498 IonicContact OE2-CZ 3.53Å; E233-R498 IonicContact OE2-NE 2.68Å; E233-R498 PolarHBondContact OE2-NE 3.29Å; E233-R498 IonicContact OE2-NH2 3.33Å; E233-R498 PolarHBondContact OE2-NH2 3.44Å; C236-R498 PolarHBondContact SG-NH1 2.72Å; F467-R498 HydrophobicContact CE1-CB 4.06Å; F467-R498 HydrophobicContact CE2-CB 3.71Å; F467-R498 VanDerWaalsContact CE2-CD 3.47Å; F467-R498 HydrophobicContact CE2-CG 4.19Å; F467-R498 HydrophobicContact CZ-CB 3.43Å; F467-R498 VanDerWaalsContact CZ-CB 3.43Å; F467-R498 HydrophobicContact CZ-CG 4.37Å; W494-R498 PolarHBondContact O-N 3.05Å; R498-A500 PolarHBondContact O-N 2.97Å; R498-N501 CarbonylContact O-C 3.57Å; R498-N501 VanDerWaalsContact O-C 3.27Å; R498-N501 WeakPolarHBondContact O-CA 3.1Å; R498-N501 PolarHBondContact O-N 3.04Å; R498-N501 VanDerWaalsContact O-N 3.11Å; R498-F502 PolarHBondContact O-N 3.34Å; R498-N503 VanDerWaalsContact O-CA 3.25Å; R498-N503 WeakPolarHBondContact O-CA 3.4Å; R498-N503 PolarHBondContact O-N 3.08Å; R498-L506 HydrophobicContact CG-CD1 4.21Å; R498-L506 HydrophobicContact CG-CD2 4.25Å; R498-L506 HydrophobicContact CG-CG 3.9Å
499	K	87.1	Confident	86.9	Confident	95 Å²	95	52.5 Å²	52.5	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-67	-33.3	178.2	-74.3	-164.7	176.7	-118.8	0	113.4	E465 F467 K495 L496 K497 N501 F502	E465-K499 PolarHBondContact O-NZ 3.48Å; F467-K499 HydrophobicContact CE1-CD 4.43Å; F467-K499 HydrophobicContact CE1-CG 3.71Å; F467-K499 HydrophobicContact CZ-CG 4.05Å; K495-K499 WeakPolarHBondContact O-CB 3.29Å; K495-K499 WeakPolarHBondContact O-CG 3.47Å; K495-K499 PolarHBondContact O-N 3.4Å; L496-K499 PolarHBondContact O-N 3.41Å; K497-K499 PolarHBondContact O-N 3.45Å; K499-N501 VanDerWaalsContact C-N 3.31Å; K499-F502 PolarHBondContact O-N 2.93Å
500	A	87.6	Confident	85.9	Confident	78 Å²	78	56.3 Å²	56.3	65%	0.645	28%	0.282	S	S	*	.	H	α-helix	trans	-66.2	-35.2	170.4	0	0	0	0	0	111.9	L496 K497 R498 F502	L496-A500 WeakPolarHBondContact O-CB 3.09Å; L496-A500 PolarHBondContact O-N 2.64Å; K497-A500 PolarHBondContact O-N 3.13Å; R498-A500 PolarHBondContact O-N 2.97Å; A500-F502 PolarHBondContact O-N 3.45Å
501	N	85.1	Confident	84.7	Confident	65 Å²	65	61.9 Å²	61.9	35%	0.348	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	29.3	174.6	-160	39.9	0	0	0	113.5	K497 R498 K499 N503 Q504 L506	K497-N501 WeakPolarHBondContact O-CB 3.27Å; K497-N501 PolarHBondContact O-N 3.18Å; R498-N501 CarbonylContact O-C 3.57Å; R498-N501 VanDerWaalsContact O-C 3.27Å; R498-N501 WeakPolarHBondContact O-CA 3.1Å; R498-N501 PolarHBondContact O-N 3.04Å; R498-N501 VanDerWaalsContact O-N 3.11Å; K499-N501 VanDerWaalsContact C-N 3.31Å; N501-N503 VanDerWaalsContact C-N 3.26Å; N501-N503 PolarHBondContact O-N 3.14Å; N501-Q504 PolarHBondContact ND2-O 2.93Å; N501-Q504 VanDerWaalsContact O-CB 3.26Å; N501-Q504 WeakPolarHBondContact O-CB 3.46Å; N501-Q504 PolarHBondContact O-N 2.97Å; N501-L506 HydrophobicContact CB-CD2 4.46Å
502	F	84.3	Confident	83.7	Confident	191 Å²	191	64.4 Å²	64.4	84%	0.838	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.6	179.5	-57.9	-84.4	0	0	0	114.8	R498 K499 A500 Q504	R498-F502 PolarHBondContact O-N 3.34Å; K499-F502 PolarHBondContact O-N 2.93Å; A500-F502 PolarHBondContact O-N 3.45Å; F502-Q504 PolarHBondContact O-N 3.4Å
503	N	85.3	Confident	82.7	Confident	34 Å²	34	65.5 Å²	65.5	18%	0.182	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	2.2	-173.8	-48.9	-36.8	0	0	0	115.5	E464 F467 R498 N501 Q505	E464-N503 VanDerWaalsContact O-CB 3.31Å; E464-N503 WeakPolarHBondContact O-CB 3.29Å; E464-N503 PolarHBondContact O-ND2 3.09Å; F467-N503 HydrophobicContact CD1-CB 4.21Å; F467-N503 HydrophobicContact CE1-CB 4.45Å; R498-N503 VanDerWaalsContact O-CA 3.25Å; R498-N503 WeakPolarHBondContact O-CA 3.4Å; R498-N503 PolarHBondContact O-N 3.08Å; N501-N503 VanDerWaalsContact C-N 3.26Å; N501-N503 PolarHBondContact O-N 3.14Å; N503-Q505 PolarHBondContact O-N 3Å
504	Q	82.1	Confident	81.9	Confident	134 Å²	134	71.1 Å²	71.1	63%	0.626	35%	0.353	S	S	*	.			trans	-63.7	131.9	179.4	-177.8	178.7	-4.2	0	0	111	N501 F502	N501-Q504 PolarHBondContact ND2-O 2.93Å; N501-Q504 VanDerWaalsContact O-CB 3.26Å; N501-Q504 WeakPolarHBondContact O-CB 3.46Å; N501-Q504 PolarHBondContact O-N 2.97Å; F502-Q504 PolarHBondContact O-N 3.4Å
505	Q	84.9	Confident	80.8	Confident	85 Å²	85	74.2 Å²	74.2	40%	0.397	37%	0.367	S	S	.	.			trans	-51.1	137.6	177	-57.5	173.9	16.2	0	0	110.8	N503	N503-Q505 PolarHBondContact O-N 3Å
506	L	85.1	Confident	79.7	Confident	38 Å²	38	75.1 Å²	75.1	20%	0.199	38%	0.38	C	S	.	.	S	Bend	trans	-85.9	-24.8	-176.9	-53	176.5	0	0	0	111.9	Y195 M229 E233 K497 R498 N501	Y195-L506 HydrophobicContact CE2-CB 3.95Å; Y195-L506 HydrophobicContact CE2-CD1 4.19Å; M229-L506 HydrophobicContact CE-CD1 3.91Å; E233-L506 HydrophobicContact CG-CB 4.13Å; E233-L506 WeakPolarHBondContact OE1-CG 3.45Å; E233-L506 PolarHBondContact OE2-N 2.98Å; K497-L506 HydrophobicContact CD-CD1 4.32Å; K497-L506 HydrophobicContact CG-CD1 4.42Å; R498-L506 HydrophobicContact CG-CD1 4.21Å; R498-L506 HydrophobicContact CG-CD2 4.25Å; R498-L506 HydrophobicContact CG-CG 3.9Å; N501-L506 HydrophobicContact CB-CD2 4.46Å
507	L	82.9	Confident	79	Confident	28 Å²	28	76.8 Å²	76.8	15%	0.147	39%	0.389	C	S	.	.	S	Bend	trans	-121.1	143.6	172.2	-65.8	178.2	0	0	0	110.5	R194 Y195 E230 E233	R194-L507 HydrophobicContact CB-CD1 4.49Å; R194-L507 HydrophobicContact CB-CD2 4.42Å; R194-L507 WeakPolarHBondContact O-CD2 3.25Å; Y195-L507 HydrophobicContact CD2-CD1 4.22Å; Y195-L507 HydrophobicContact CD2-CD2 4.02Å; Y195-L507 HydrophobicContact CD2-CG 4.02Å; E230-L507 HydrophobicContact CB-CD1 3.87Å; E230-L507 HydrophobicContact CG-CD1 3.71Å; E233-L507 HydrophobicContact CB-CB 4.29Å; E233-L507 HydrophobicContact CB-CD1 4.19Å; E233-L507 HydrophobicContact CB-CG 4.43Å; E233-L507 HydrophobicContact CG-CB 4.32Å; E233-L507 HydrophobicContact CG-CD1 4.32Å; E233-L507 HydrophobicContact CG-CG 4.19Å; E233-L507 PolarHBondContact OE2-N 3.25Å
508	T	77.8	Confident	78.3	Confident	78 Å²	78	78.1 Å²	78.1	48%	0.479	41%	0.405	S	S	.	.			trans	-79.8	139.2	169.3	-58.3	0	0	0	0	109.2	R194 D512 E513	R194-T508 PolarHBondContact NH1-O 2.93Å; R194-T508 PolarHBondContact NH2-O 3.46Å; T508-D512 HydrophobicContact CG2-CB 4.49Å; T508-E513 WeakPolarHBondContact CB-OE1 3.46Å; T508-E513 HydrophobicContact CG2-CG 3.76Å
509	P	75	Confident	77.6	Confident	16 Å²	16	82.1 Å²	82.1	10%	0.104	42%	0.42	C	S	.	.			trans	-62.4	138.8	179.6	-25	35.7	0	0	0	113.3	H237 K511 D512 E513	H237-P509 WeakPolarHBondContact CE1-CG 3.46Å; H237-P509 WeakPolarHBondContact ND1-CG 3.44Å; P509-K511 VanDerWaalsContact C-N 3.28Å; P509-K511 PolarHBondContact O-N 2.92Å; P509-D512 HydrophobicContact CB-CB 4.4Å; P509-D512 PolarHBondContact O-N 3.1Å; P509-D512 VanDerWaalsContact O-N 3.09Å; P509-E513 PolarHBondContact O-N 3.39Å
510	K	68.2	Low	76.9	Confident	91 Å²	91	86.1 Å²	86.1	40%	0.396	43%	0.432	S	S	.	.	H	α-helix	trans	-55.5	-43.3	-179.4	-64.4	179.9	179.6	176.1	0	111.7	E230 D512 E513 E514	E230-K510 VanDerWaalsContact OE1-CE 3.31Å; E230-K510 WeakPolarHBondContact OE1-CE 3.44Å; E230-K510 IonicContact OE1-NZ 3.64Å; E230-K510 PolarHBondContact OE1-NZ 3.47Å; E230-K510 VanDerWaalsContact OE1-NZ 3.13Å; K510-D512 VanDerWaalsContact C-N 3.34Å; K510-D512 PolarHBondContact O-N 3.07Å; K510-E513 PolarHBondContact O-N 2.84Å; K510-E514 WeakPolarHBondContact O-CG 3.39Å; K510-E514 PolarHBondContact O-N 3.39Å; K510-E514 VanDerWaalsContact O-N 3.08Å
511	K	67.4	Low	76.6	Confident	117 Å²	117	88.8 Å²	88.8	51%	0.509	43%	0.432	S	S	.	.	H	α-helix	trans	-55.3	-42.6	176.5	-62	166.2	-176.6	163.6	0	112.9	E238 P509 E515	E238-K511 IonicContact OE1-NZ 3.43Å; E238-K511 PolarHBondContact OE1-NZ 2.87Å; E238-K511 IonicContact OE2-NZ 3.6Å; E238-K511 PolarHBondContact OE2-NZ 2.95Å; P509-K511 VanDerWaalsContact C-N 3.28Å; P509-K511 PolarHBondContact O-N 2.92Å; K511-E515 PolarHBondContact O-N 3.01Å; K511-E515 VanDerWaalsContact O-N 3.09Å
512	D	69.8	Low	76.3	Confident	76 Å²	76	92.4 Å²	92.4	41%	0.406	45%	0.446	S	S	.	.	H	α-helix	trans	-74.7	-36	-177.2	-76.9	-36.8	0	0	0	112.6	T508 P509 K510 S516	T508-D512 HydrophobicContact CG2-CB 4.49Å; P509-D512 HydrophobicContact CB-CB 4.4Å; P509-D512 PolarHBondContact O-N 3.1Å; P509-D512 VanDerWaalsContact O-N 3.09Å; K510-D512 VanDerWaalsContact C-N 3.34Å; K510-D512 PolarHBondContact O-N 3.07Å; D512-S516 WeakPolarHBondContact O-CB 3.21Å; D512-S516 PolarHBondContact O-N 3.16Å
513	E	71.4	Confident	76.2	Confident	77 Å²	77	87.8 Å²	87.8	36%	0.36	43%	0.427	S	S	.	.	H	α-helix	trans	-65.6	-45.5	174.2	-68.7	-175.3	165.3	0	0	111.2	R194 T508 P509 K510 S516 L517	R194-E513 IonicContact CZ-OE2 3.16Å; R194-E513 IonicContact NE-OE2 2.64Å; R194-E513 IonicContact NH2-OE1 3.1Å; R194-E513 PolarHBondContact NH2-OE1 2.72Å; R194-E513 IonicContact NH2-OE2 3.4Å; R194-E513 PolarHBondContact NH2-OE2 2.81Å; T508-E513 WeakPolarHBondContact CB-OE1 3.46Å; T508-E513 HydrophobicContact CG2-CG 3.76Å; P509-E513 PolarHBondContact O-N 3.39Å; K510-E513 PolarHBondContact O-N 2.84Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.72Å; E513-L517 WeakPolarHBondContact O-CB 3.45Å; E513-L517 WeakPolarHBondContact O-CG 3.48Å; E513-L517 PolarHBondContact O-N 3.04Å
514	E	74.1	Confident	76.4	Confident	136 Å²	136	89.2 Å²	89.2	64%	0.636	44%	0.437	S	S	*	.	H	α-helix	trans	-58.2	-48.7	174	-73.8	176.5	-142.8	0	0	112	K510 S516 L517 A518	K510-E514 WeakPolarHBondContact O-CG 3.39Å; K510-E514 PolarHBondContact O-N 3.39Å; K510-E514 VanDerWaalsContact O-N 3.08Å; E514-S516 VanDerWaalsContact C-N 3.32Å; E514-S516 PolarHBondContact O-N 2.87Å; E514-L517 PolarHBondContact O-N 3.39Å; E514-A518 WeakPolarHBondContact O-CB 3.48Å; E514-A518 PolarHBondContact O-N 3.09Å
515	E	69.6	Low	76.7	Confident	65 Å²	65	87.9 Å²	87.9	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-67.5	-33.8	177.9	-151.7	-146.9	139.4	0	0	111.5	K511 R519	K511-E515 PolarHBondContact O-N 3.01Å; K511-E515 VanDerWaalsContact O-N 3.09Å; E515-R519 VanDerWaalsContact O-CB 3.24Å; E515-R519 WeakPolarHBondContact O-CB 3.48Å; E515-R519 WeakPolarHBondContact O-CG 3.42Å; E515-R519 PolarHBondContact O-N 2.92Å; E515-R519 PolarHBondContact O-NE 3.04Å; E515-R519 VanDerWaalsContact OE1-CD 3.27Å; E515-R519 WeakPolarHBondContact OE1-CD 3.24Å; E515-R519 IonicContact OE1-CZ 3.7Å; E515-R519 IonicContact OE1-NE 2.91Å; E515-R519 PolarHBondContact OE1-NE 3.02Å; E515-R519 IonicContact OE1-NH1 2.72Å; E515-R519 PolarHBondContact OE1-NH1 3.23Å; E515-R519 IonicContact OE1-NH2 3.95Å; E515-R519 IonicContact OE2-CZ 3.77Å; E515-R519 IonicContact OE2-NH1 3.05Å; E515-R519 PolarHBondContact OE2-NH1 2.74Å; E515-R519 VanDerWaalsContact OE2-NH1 3.08Å; E515-R519 IonicContact OE2-NH2 2.73Å
516	S	68.8	Low	76.8	Confident	68 Å²	68	86.9 Å²	86.9	48%	0.476	43%	0.431	S	S	.	.	H	α-helix	trans	-63.5	-45.7	174.4	-172.2	0	0	0	0	112	D512 E513 E514 R519 R520	D512-S516 WeakPolarHBondContact O-CB 3.21Å; D512-S516 PolarHBondContact O-N 3.16Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.72Å; E514-S516 VanDerWaalsContact C-N 3.32Å; E514-S516 PolarHBondContact O-N 2.87Å; S516-R519 PolarHBondContact O-N 2.77Å; S516-R520 WeakPolarHBondContact O-CB 3.33Å; S516-R520 PolarHBondContact O-N 2.85Å
517	L	75.4	Confident	76.8	Confident	106 Å²	106	92 Å²	92	56%	0.555	45%	0.448	S	S	*	.	H	α-helix	trans	-64	-48.3	175.4	-70.7	171	0	0	0	111.2	E513 E514 R519 R520 E521	E513-L517 WeakPolarHBondContact O-CB 3.45Å; E513-L517 WeakPolarHBondContact O-CG 3.48Å; E513-L517 PolarHBondContact O-N 3.04Å; E514-L517 PolarHBondContact O-N 3.39Å; L517-R519 VanDerWaalsContact C-N 3.34Å; L517-R519 PolarHBondContact O-N 2.86Å; L517-R520 WeakPolarHBondContact O-CB 3.42Å; L517-R520 PolarHBondContact O-N 3.49Å; L517-E521 PolarHBondContact O-N 3.37Å
518	A	74.6	Confident	77.2	Confident	55 Å²	55	98.1 Å²	98.1	46%	0.455	47%	0.469	S	S	.	.	H	α-helix	trans	-59.7	-41.4	177.3	0	0	0	0	0	112.4	E514 E521 Q522	E514-A518 WeakPolarHBondContact O-CB 3.48Å; E514-A518 PolarHBondContact O-N 3.09Å; A518-E521 PolarHBondContact O-N 2.96Å; A518-Q522 WeakPolarHBondContact O-CB 3.04Å; A518-Q522 PolarHBondContact O-N 2.82Å
519	R	72.9	Confident	77.8	Confident	91 Å²	91	99.5 Å²	99.5	34%	0.343	47%	0.472	S	S	.	.	H	α-helix	trans	-62.5	-40.4	173.5	-75.7	175.7	-71.9	-156.1	6.1	111.8	S298 E515 S516 L517 Q522 E523	S298-R519 PolarHBondContact OG-NH1 3.44Å; S298-R519 VanDerWaalsContact OG-NH1 3.11Å; E515-R519 VanDerWaalsContact O-CB 3.24Å; E515-R519 WeakPolarHBondContact O-CB 3.48Å; E515-R519 WeakPolarHBondContact O-CG 3.42Å; E515-R519 PolarHBondContact O-N 2.92Å; E515-R519 PolarHBondContact O-NE 3.04Å; E515-R519 VanDerWaalsContact OE1-CD 3.27Å; E515-R519 WeakPolarHBondContact OE1-CD 3.24Å; E515-R519 IonicContact OE1-CZ 3.7Å; E515-R519 IonicContact OE1-NE 2.91Å; E515-R519 PolarHBondContact OE1-NE 3.02Å; E515-R519 IonicContact OE1-NH1 2.72Å; E515-R519 PolarHBondContact OE1-NH1 3.23Å; E515-R519 IonicContact OE1-NH2 3.95Å; E515-R519 IonicContact OE2-CZ 3.77Å; E515-R519 IonicContact OE2-NH1 3.05Å; E515-R519 PolarHBondContact OE2-NH1 2.74Å; E515-R519 VanDerWaalsContact OE2-NH1 3.08Å; E515-R519 IonicContact OE2-NH2 2.73Å; S516-R519 PolarHBondContact O-N 2.77Å; L517-R519 VanDerWaalsContact C-N 3.34Å; L517-R519 PolarHBondContact O-N 2.86Å; R519-Q522 PolarHBondContact O-N 2.85Å; R519-E523 PolarHBondContact O-N 2.96Å
520	R	71.9	Confident	78.3	Confident	179 Å²	179	103.8 Å²	103.8	68%	0.675	49%	0.491	S	S	*	.	H	α-helix	trans	-67.3	-43.1	177.3	-171.7	176.7	-177.7	174.1	-1.6	112.3	S516 L517 E523 V524	S516-R520 WeakPolarHBondContact O-CB 3.33Å; S516-R520 PolarHBondContact O-N 2.85Å; L517-R520 WeakPolarHBondContact O-CB 3.42Å; L517-R520 PolarHBondContact O-N 3.49Å; R520-E523 PolarHBondContact O-N 2.66Å; R520-V524 WeakPolarHBondContact O-CG2 3.47Å; R520-V524 PolarHBondContact O-N 2.98Å
521	E	82.1	Confident	79.4	Confident	135 Å²	135	105.3 Å²	105.3	63%	0.631	50%	0.503	S	S	*	.	H	α-helix	trans	-61.8	-45.2	173	-70.9	-166.8	155.7	0	0	111.7	L517 A518 E523 V524 L525	L517-E521 PolarHBondContact O-N 3.37Å; A518-E521 PolarHBondContact O-N 2.96Å; E521-E523 VanDerWaalsContact C-N 3.28Å; E521-E523 PolarHBondContact O-N 3.44Å; E521-V524 PolarHBondContact O-N 3.23Å; E521-L525 WeakPolarHBondContact O-CB 3.4Å; E521-L525 WeakPolarHBondContact O-CG 3.2Å; E521-L525 PolarHBondContact O-N 3.04Å
522	Q	79.5	Confident	80.6	Confident	141 Å²	141	106.2 Å²	106.2	66%	0.659	51%	0.507	S	S	*	.	H	α-helix	trans	-60	-37.9	176.1	-168.9	-177.2	53	0	0	111.7	A518 R519 L526	A518-Q522 WeakPolarHBondContact O-CB 3.04Å; A518-Q522 PolarHBondContact O-N 2.82Å; R519-Q522 PolarHBondContact O-N 2.85Å; Q522-L526 VanDerWaalsContact O-CB 3.31Å; Q522-L526 WeakPolarHBondContact O-CB 3.42Å; Q522-L526 PolarHBondContact O-N 2.79Å
523	E	81.4	Confident	81.5	Confident	93 Å²	93	105.9 Å²	105.9	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-67.7	-42.1	175.3	-146.3	-142.4	151.4	0	0	112.2	R519 R520 E521 L526 R527	R519-E523 PolarHBondContact O-N 2.96Å; R520-E523 PolarHBondContact O-N 2.66Å; E521-E523 VanDerWaalsContact C-N 3.28Å; E521-E523 PolarHBondContact O-N 3.44Å; E523-L526 PolarHBondContact O-N 3.32Å; E523-R527 VanDerWaalsContact CD-NH2 3.3Å; E523-R527 WeakPolarHBondContact O-CB 3.33Å; E523-R527 VanDerWaalsContact O-CG 3.31Å; E523-R527 WeakPolarHBondContact O-CG 3.41Å; E523-R527 PolarHBondContact O-N 3.33Å; E523-R527 IonicContact OE1-CZ 3.4Å; E523-R527 IonicContact OE1-NE 2.75Å; E523-R527 PolarHBondContact OE1-NE 2.98Å; E523-R527 IonicContact OE1-NH2 3.26Å; E523-R527 PolarHBondContact OE1-NH2 2.87Å; E523-R527 IonicContact OE2-CZ 3.51Å; E523-R527 IonicContact OE2-NE 3.47Å; E523-R527 IonicContact OE2-NH2 2.74Å; E523-R527 PolarHBondContact OE2-NH2 3.4Å
524	V	90.5	Very high	82.3	Confident	64 Å²	64	107.4 Å²	107.4	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-43.3	175	170.6	0	0	0	0	111	R520 E521 R527 R528	R520-V524 WeakPolarHBondContact O-CG2 3.47Å; R520-V524 PolarHBondContact O-N 2.98Å; E521-V524 PolarHBondContact O-N 3.23Å; V524-R527 PolarHBondContact O-N 2.62Å; V524-R528 WeakPolarHBondContact O-CB 3.46Å; V524-R528 WeakPolarHBondContact O-CG 3.48Å; V524-R528 PolarHBondContact O-N 2.98Å
525	L	87.8	Confident	83.3	Confident	106 Å²	106	105.4 Å²	105.4	56%	0.555	51%	0.508	S	S	*	.	H	α-helix	trans	-61.6	-43.5	174.1	-75.2	164.5	0	0	0	111.7	E521 R528 L529	E521-L525 WeakPolarHBondContact O-CB 3.4Å; E521-L525 WeakPolarHBondContact O-CG 3.2Å; E521-L525 PolarHBondContact O-N 3.04Å; L525-R528 PolarHBondContact O-N 2.84Å; L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 3.34Å
526	L	86.8	Confident	84.5	Confident	64 Å²	64	111 Å²	111	34%	0.335	53%	0.526	S	S	.	.	H	α-helix	trans	-64.6	-43	177.5	-177.7	61.1	0	0	0	112.1	Q522 E523 L529 Q530	Q522-L526 VanDerWaalsContact O-CB 3.31Å; Q522-L526 WeakPolarHBondContact O-CB 3.42Å; Q522-L526 PolarHBondContact O-N 2.79Å; E523-L526 PolarHBondContact O-N 3.32Å; L526-L529 PolarHBondContact O-N 3.32Å; L526-Q530 WeakPolarHBondContact O-CG 3.48Å; L526-Q530 PolarHBondContact O-N 3.2Å
527	R	85.8	Confident	85.7	Confident	147 Å²	147	111.5 Å²	111.5	56%	0.555	52%	0.521	S	S	*	.	H	α-helix	trans	-62.3	-43.6	174.4	-71.3	175.4	-177.1	-157.2	11.3	111.6	E523 V524 Q530 L531	E523-R527 VanDerWaalsContact CD-NH2 3.3Å; E523-R527 WeakPolarHBondContact O-CB 3.33Å; E523-R527 VanDerWaalsContact O-CG 3.31Å; E523-R527 WeakPolarHBondContact O-CG 3.41Å; E523-R527 PolarHBondContact O-N 3.33Å; E523-R527 IonicContact OE1-CZ 3.4Å; E523-R527 IonicContact OE1-NE 2.75Å; E523-R527 PolarHBondContact OE1-NE 2.98Å; E523-R527 IonicContact OE1-NH2 3.26Å; E523-R527 PolarHBondContact OE1-NH2 2.87Å; E523-R527 IonicContact OE2-CZ 3.51Å; E523-R527 IonicContact OE2-NE 3.47Å; E523-R527 IonicContact OE2-NH2 2.74Å; E523-R527 PolarHBondContact OE2-NH2 3.4Å; V524-R527 PolarHBondContact O-N 2.62Å; R527-Q530 PolarHBondContact O-N 3.32Å; R527-L531 PolarHBondContact O-N 2.95Å; R527-L531 VanDerWaalsContact O-N 3.09Å
528	R	91.1	Very high	86.6	Confident	156 Å²	156	109.8 Å²	109.8	59%	0.589	51%	0.513	S	S	*	.	H	α-helix	trans	-60.2	-44.9	173.5	-74.6	174	175.7	179.8	-0.1	111.6	V524 L525 Q530 L531 F532	V524-R528 WeakPolarHBondContact O-CB 3.46Å; V524-R528 WeakPolarHBondContact O-CG 3.48Å; V524-R528 PolarHBondContact O-N 2.98Å; L525-R528 PolarHBondContact O-N 2.84Å; R528-Q530 VanDerWaalsContact C-N 3.35Å; R528-Q530 PolarHBondContact O-N 2.9Å; R528-L531 WeakPolarHBondContact O-CB 3.41Å; R528-L531 PolarHBondContact O-N 3.04Å; R528-F532 HydrophobicContact CB-CE2 4.47Å; R528-F532 WeakPolarHBondContact O-CD2 3.26Å; R528-F532 PolarHBondContact O-N 3.06Å
529	L	89.2	Confident	87.6	Confident	106 Å²	106	112.5 Å²	112.5	56%	0.555	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-37.7	178.1	-177.7	62.1	0	0	0	112.6	L525 L526 T533	L525-L529 WeakPolarHBondContact O-CB 3.45Å; L525-L529 PolarHBondContact O-N 3.34Å; L526-L529 PolarHBondContact O-N 3.32Å; L529-T533 WeakPolarHBondContact O-CB 3.26Å; L529-T533 PolarHBondContact O-N 3.37Å; L529-T533 PolarHBondContact O-OG1 3.42Å
530	Q	86.8	Confident	88.7	Confident	107 Å²	107	111.3 Å²	111.3	50%	0.5	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-44.2	173.1	-72.4	172	11.4	0	0	111.6	L526 R527 R528 T533 H534	L526-Q530 WeakPolarHBondContact O-CG 3.48Å; L526-Q530 PolarHBondContact O-N 3.2Å; R527-Q530 PolarHBondContact O-N 3.32Å; R528-Q530 VanDerWaalsContact C-N 3.35Å; R528-Q530 PolarHBondContact O-N 2.9Å; Q530-T533 WeakPolarHBondContact O-CB 3.36Å; Q530-T533 PolarHBondContact O-N 3.1Å; Q530-T533 VanDerWaalsContact O-N 3.15Å; Q530-H534 PolarHBondContact O-CD2 3.27Å; Q530-H534 PolarHBondContact O-N 3.02Å
531	L	91.2	Very high	89.7	Confident	122 Å²	122	109 Å²	109	64%	0.639	51%	0.508	S	S	*	.	H	α-helix	trans	-59.7	-48.4	176.8	-176.6	65.2	0	0	0	112	R527 R528 T533 H534 L535	R527-L531 PolarHBondContact O-N 2.95Å; R527-L531 VanDerWaalsContact O-N 3.09Å; R528-L531 WeakPolarHBondContact O-CB 3.41Å; R528-L531 PolarHBondContact O-N 3.04Å; L531-T533 VanDerWaalsContact C-N 3.27Å; L531-T533 PolarHBondContact O-N 3.14Å; L531-H534 PolarHBondContact O-N 3Å; L531-L535 PolarHBondContact O-N 3.29Å
532	F	92.1	Very high	90.5	Very high	136 Å²	136	106.7 Å²	106.7	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-61.9	-34.9	174.7	-70	-58.5	0	0	0	112.6	R528 R536	R528-F532 HydrophobicContact CB-CE2 4.47Å; R528-F532 WeakPolarHBondContact O-CD2 3.26Å; R528-F532 PolarHBondContact O-N 3.06Å; F532-R536 WeakPolarHBondContact O-CB 3.45Å; F532-R536 PolarHBondContact O-N 3.28Å
533	T	88.3	Confident	91.2	Very high	69 Å²	69	105.7 Å²	105.7	42%	0.423	49%	0.494	S	S	.	.	H	α-helix	trans	-67.1	-38.4	176.7	-60.1	0	0	0	0	111.9	L529 Q530 L531 Q537	L529-T533 WeakPolarHBondContact O-CB 3.26Å; L529-T533 PolarHBondContact O-N 3.37Å; L529-T533 PolarHBondContact O-OG1 3.42Å; Q530-T533 WeakPolarHBondContact O-CB 3.36Å; Q530-T533 PolarHBondContact O-N 3.1Å; Q530-T533 VanDerWaalsContact O-N 3.15Å; L531-T533 VanDerWaalsContact C-N 3.27Å; L531-T533 PolarHBondContact O-N 3.14Å; T533-Q537 WeakPolarHBondContact O-CG 3.48Å; T533-Q537 PolarHBondContact O-N 2.98Å
534	H	89	Confident	91.9	Very high	110 Å²	110	103.9 Å²	103.9	51%	0.509	49%	0.487	S	S	.	.	H	α-helix	trans	-67.1	-52.3	172.5	-90.5	-101.9	0	0	0	111.6	Q530 L531 R536 Q537 D538	Q530-H534 PolarHBondContact O-CD2 3.27Å; Q530-H534 PolarHBondContact O-N 3.02Å; L531-H534 PolarHBondContact O-N 3Å; H534-R536 VanDerWaalsContact C-N 3.25Å; H534-R536 PolarHBondContact O-N 2.76Å; H534-Q537 WeakPolarHBondContact O-CA 3.32Å; H534-Q537 WeakPolarHBondContact O-CB 3.37Å; H534-Q537 PolarHBondContact O-N 2.87Å; H534-D538 PolarHBondContact O-N 2.77Å
535	L	95.6	Very high	92.1	Very high	94 Å²	94	106.3 Å²	106.3	49%	0.492	50%	0.497	S	S	.	.	H	α-helix	trans	-54.6	-41	179.2	-177.4	62.6	0	0	0	112.2	L531 Q537 D538 L539	L531-L535 PolarHBondContact O-N 3.29Å; L535-Q537 VanDerWaalsContact C-N 3.34Å; L535-Q537 PolarHBondContact O-N 3.26Å; L535-D538 PolarHBondContact O-N 3.41Å; L535-L539 HydrophobicContact CD1-CD1 4.5Å; L535-L539 HydrophobicContact CD1-CG 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.19Å; L535-L539 WeakPolarHBondContact O-CG 3.38Å; L535-L539 PolarHBondContact O-N 3.13Å
536	R	94.4	Very high	92.6	Very high	181 Å²	181	105.1 Å²	105.1	68%	0.683	49%	0.494	S	S	*	.	H	α-helix	trans	-61.9	-37.4	174	-178.1	176.9	176.7	176.5	0.9	113.1	F532 H534 E540	F532-R536 WeakPolarHBondContact O-CB 3.45Å; F532-R536 PolarHBondContact O-N 3.28Å; H534-R536 VanDerWaalsContact C-N 3.25Å; H534-R536 PolarHBondContact O-N 2.76Å; R536-E540 WeakPolarHBondContact O-CB 3.37Å; R536-E540 PolarHBondContact O-N 3.33Å; R536-E540 VanDerWaalsContact O-N 3.15Å
537	Q	92.9	Very high	93	Very high	79 Å²	79	108.9 Å²	108.9	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-68.5	-39.9	175	-68.6	173.5	41.5	0	0	111.6	T533 H534 L535 E540 R541	T533-Q537 WeakPolarHBondContact O-CG 3.48Å; T533-Q537 PolarHBondContact O-N 2.98Å; H534-Q537 WeakPolarHBondContact O-CA 3.32Å; H534-Q537 WeakPolarHBondContact O-CB 3.37Å; H534-Q537 PolarHBondContact O-N 2.87Å; L535-Q537 VanDerWaalsContact C-N 3.34Å; L535-Q537 PolarHBondContact O-N 3.26Å; Q537-E540 PolarHBondContact O-N 3.04Å; Q537-R541 WeakPolarHBondContact O-CG 3.49Å; Q537-R541 PolarHBondContact O-N 3.11Å
538	D	95.4	Very high	93.4	Very high	71 Å²	71	107.2 Å²	107.2	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-70	-41.1	-179.8	-68.8	-49	0	0	0	112.3	H534 L535 E540 R541 V542	H534-D538 PolarHBondContact O-N 2.77Å; L535-D538 PolarHBondContact O-N 3.41Å; D538-E540 VanDerWaalsContact C-N 3.28Å; D538-E540 PolarHBondContact O-N 3.42Å; D538-R541 WeakPolarHBondContact O-CB 3.31Å; D538-R541 PolarHBondContact O-N 3.47Å; D538-R541 VanDerWaalsContact O-N 3.13Å; D538-R541 WeakPolarHBondContact OD1-CD 3.5Å; D538-R541 IonicContact OD1-CZ 3.85Å; D538-R541 IonicContact OD1-NE 3.51Å; D538-R541 IonicContact OD1-NH1 2.66Å; D538-R541 PolarHBondContact OD1-NH1 2.92Å; D538-R541 IonicContact OD2-NH1 3.08Å; D538-V542 WeakPolarHBondContact O-CG2 3.44Å; D538-V542 PolarHBondContact O-N 2.91Å
539	L	96	Very high	93.7	Very high	112 Å²	112	102.7 Å²	102.7	59%	0.586	49%	0.494	S	S	*	.	H	α-helix	trans	-60.5	-36.5	170.4	-67.6	172.2	0	0	0	112.1	L535 R543	L535-L539 HydrophobicContact CD1-CD1 4.5Å; L535-L539 HydrophobicContact CD1-CG 4.47Å; L535-L539 HydrophobicContact CG-CD1 4.19Å; L535-L539 WeakPolarHBondContact O-CG 3.38Å; L535-L539 PolarHBondContact O-N 3.13Å; L539-R543 WeakPolarHBondContact O-CB 3.28Å; L539-R543 PolarHBondContact O-N 3.02Å
540	E	95.1	Very high	94	Very high	65 Å²	65	101.8 Å²	101.8	30%	0.304	49%	0.493	S	S	.	.	H	α-helix	trans	-69.3	-39.5	172.8	-173.4	65.7	-124.9	0	0	112.1	R536 Q537 D538 R543 N544	R536-E540 WeakPolarHBondContact O-CB 3.37Å; R536-E540 PolarHBondContact O-N 3.33Å; R536-E540 VanDerWaalsContact O-N 3.15Å; Q537-E540 PolarHBondContact O-N 3.04Å; D538-E540 VanDerWaalsContact C-N 3.28Å; D538-E540 PolarHBondContact O-N 3.42Å; E540-R543 PolarHBondContact O-N 3.1Å; E540-R543 IonicContact OE1-CZ 2.84Å; E540-R543 IonicContact OE1-NE 3.1Å; E540-R543 PolarHBondContact OE1-NE 2.99Å; E540-R543 IonicContact OE1-NH2 3.26Å; E540-R543 PolarHBondContact OE1-NH2 3.27Å; E540-R543 IonicContact OE2-CZ 2.61Å; E540-R543 VanDerWaalsContact OE2-CZ 3.29Å; E540-R543 IonicContact OE2-NE 3.56Å; E540-R543 IonicContact OE2-NH2 3.41Å; E540-R543 PolarHBondContact OE2-NH2 3.49Å; E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 3.09Å; E540-N544 PolarHBondContact OE1-ND2 3.27Å
541	R	93.8	Very high	94.4	Very high	131 Å²	131	103.6 Å²	103.6	49%	0.494	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-49.8	173.6	-72.4	167.7	-174.5	119.4	11	110.6	Q537 D538 R543 N544 L545	Q537-R541 WeakPolarHBondContact O-CG 3.49Å; Q537-R541 PolarHBondContact O-N 3.11Å; D538-R541 WeakPolarHBondContact O-CB 3.31Å; D538-R541 PolarHBondContact O-N 3.47Å; D538-R541 VanDerWaalsContact O-N 3.13Å; D538-R541 WeakPolarHBondContact OD1-CD 3.5Å; D538-R541 IonicContact OD1-CZ 3.85Å; D538-R541 IonicContact OD1-NE 3.51Å; D538-R541 IonicContact OD1-NH1 2.66Å; D538-R541 PolarHBondContact OD1-NH1 2.92Å; D538-R541 IonicContact OD2-NH1 3.08Å; R541-R543 PolarHBondContact O-N 3.42Å; R541-N544 PolarHBondContact O-N 3.37Å; R541-L545 PolarHBondContact O-N 3.02Å
542	V	97.1	Very high	94.7	Very high	87 Å²	87	104.7 Å²	104.7	53%	0.527	49%	0.491	S	S	.	.	H	α-helix	trans	-57.6	-49.6	176.3	172	0	0	0	0	110.7	D538 N544 L545 T546	D538-V542 WeakPolarHBondContact O-CG2 3.44Å; D538-V542 PolarHBondContact O-N 2.91Å; V542-N544 VanDerWaalsContact C-N 3.31Å; V542-N544 PolarHBondContact O-N 3.06Å; V542-L545 WeakPolarHBondContact O-CB 3.13Å; V542-L545 PolarHBondContact O-N 3.01Å; V542-L545 VanDerWaalsContact O-N 3.08Å; V542-T546 PolarHBondContact O-N 3.21Å; V542-T546 PolarHBondContact O-OG1 3Å; V542-T546 VanDerWaalsContact O-OG1 3.1Å
543	R	95.6	Very high	94.9	Very high	120 Å²	120	101.5 Å²	101.5	45%	0.453	48%	0.478	S	S	.	.	H	α-helix	trans	-55.4	-43.2	178	-175.1	174.1	77.2	163.9	-0.9	113	L539 E540 R541 Y547 R872	L539-R543 WeakPolarHBondContact O-CB 3.28Å; L539-R543 PolarHBondContact O-N 3.02Å; E540-R543 PolarHBondContact O-N 3.1Å; E540-R543 IonicContact OE1-CZ 2.84Å; E540-R543 IonicContact OE1-NE 3.1Å; E540-R543 PolarHBondContact OE1-NE 2.99Å; E540-R543 IonicContact OE1-NH2 3.26Å; E540-R543 PolarHBondContact OE1-NH2 3.27Å; E540-R543 IonicContact OE2-CZ 2.61Å; E540-R543 VanDerWaalsContact OE2-CZ 3.29Å; E540-R543 IonicContact OE2-NE 3.56Å; E540-R543 IonicContact OE2-NH2 3.41Å; E540-R543 PolarHBondContact OE2-NH2 3.49Å; R541-R543 PolarHBondContact O-N 3.42Å; R543-Y547 PolarHBondContact O-N 2.83Å; R543-Y547 VanDerWaalsContact O-N 3.11Å; R543-R872 VanDerWaalsContact CZ-NH2 3.3Å; R543-R872 VanDerWaalsContact NH2-NH2 3.14Å
544	N	95.1	Very high	95.3	Very high	54 Å²	54	106.1 Å²	106.1	29%	0.289	49%	0.492	S	S	.	.	H	α-helix	trans	-71.6	-34.4	178.4	-73.3	-72.5	0	0	0	112.2	E540 R541 V542 M548	E540-N544 PolarHBondContact O-N 3.11Å; E540-N544 PolarHBondContact O-ND2 3.09Å; E540-N544 PolarHBondContact OE1-ND2 3.27Å; R541-N544 PolarHBondContact O-N 3.37Å; V542-N544 VanDerWaalsContact C-N 3.31Å; V542-N544 PolarHBondContact O-N 3.06Å; N544-M548 VanDerWaalsContact O-CG 3.31Å; N544-M548 WeakPolarHBondContact O-CG 3.5Å; N544-M548 PolarHBondContact O-N 3.49Å
545	L	96	Very high	95.6	Very high	116 Å²	116	106.6 Å²	106.6	61%	0.607	50%	0.496	S	S	*	.	H	α-helix	trans	-64.3	-48.3	173.1	-177.8	61.1	0	0	0	111.3	R541 V542 Y547 M548 V549	R541-L545 PolarHBondContact O-N 3.02Å; V542-L545 WeakPolarHBondContact O-CB 3.13Å; V542-L545 PolarHBondContact O-N 3.01Å; V542-L545 VanDerWaalsContact O-N 3.08Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.37Å; L545-M548 PolarHBondContact O-N 3.36Å; L545-M548 VanDerWaalsContact O-N 3.1Å; L545-V549 HydrophobicContact CD1-CG2 4.49Å; L545-V549 WeakPolarHBondContact O-CG2 3.49Å; L545-V549 PolarHBondContact O-N 3.14Å
546	T	96.6	Very high	95.6	Very high	80 Å²	80	107 Å²	107	49%	0.491	49%	0.494	S	S	.	.	H	α-helix	trans	-55.3	-48.1	175.5	-53.5	0	0	0	0	111	V542 M548 V549 T550	V542-T546 PolarHBondContact O-N 3.21Å; V542-T546 PolarHBondContact O-OG1 3Å; V542-T546 VanDerWaalsContact O-OG1 3.1Å; T546-M548 VanDerWaalsContact C-N 3.33Å; T546-M548 PolarHBondContact O-N 2.92Å; T546-V549 PolarHBondContact O-N 3.08Å; T546-T550 PolarHBondContact O-N 2.66Å; T546-T550 PolarHBondContact O-OG1 3.26Å
547	Y	95.8	Very high	95.7	Very high	143 Å²	143	107.1 Å²	107.1	56%	0.561	50%	0.495	S	S	*	.	H	α-helix	trans	-57.7	-42.1	176.1	174.8	-97.2	0	0	0	112.9	R543 L545 R551	R543-Y547 PolarHBondContact O-N 2.83Å; R543-Y547 VanDerWaalsContact O-N 3.11Å; L545-Y547 VanDerWaalsContact C-N 3.34Å; L545-Y547 PolarHBondContact O-N 3.37Å; Y547-R551 WeakPolarHBondContact O-CB 3.42Å; Y547-R551 PolarHBondContact O-N 2.88Å
548	M	94.1	Very high	95.8	Very high	113 Å²	113	106.1 Å²	106.1	56%	0.557	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-38.9	177.8	-72.6	-67.4	-70.8	0	0	112.4	N544 L545 T546 R551 R552	N544-M548 VanDerWaalsContact O-CG 3.31Å; N544-M548 WeakPolarHBondContact O-CG 3.5Å; N544-M548 PolarHBondContact O-N 3.49Å; L545-M548 PolarHBondContact O-N 3.36Å; L545-M548 VanDerWaalsContact O-N 3.1Å; T546-M548 VanDerWaalsContact C-N 3.33Å; T546-M548 PolarHBondContact O-N 2.92Å; M548-R551 PolarHBondContact O-N 3.17Å; M548-R552 WeakPolarHBondContact O-CB 3.47Å; M548-R552 PolarHBondContact O-N 3.18Å
549	V	97	Very high	95.7	Very high	60 Å²	60	107.7 Å²	107.7	36%	0.364	50%	0.504	S	S	.	.	H	α-helix	trans	-65.2	-50.6	173.8	174.7	0	0	0	0	110.7	L545 T546 R551 R552 E553	L545-V549 HydrophobicContact CD1-CG2 4.49Å; L545-V549 WeakPolarHBondContact O-CG2 3.49Å; L545-V549 PolarHBondContact O-N 3.14Å; T546-V549 PolarHBondContact O-N 3.08Å; V549-R551 PolarHBondContact O-N 3.12Å; V549-R552 WeakPolarHBondContact O-CA 3.45Å; V549-R552 WeakPolarHBondContact O-CB 3.34Å; V549-R552 PolarHBondContact O-N 3.01Å; V549-E553 HydrophobicContact CG1-CG 4.35Å; V549-E553 PolarHBondContact O-N 3.39Å
550	T	96.2	Very high	95.7	Very high	87 Å²	87	105.7 Å²	105.7	53%	0.534	50%	0.498	S	S	.	.	H	α-helix	trans	-56.7	-39.1	176.5	-55.2	0	0	0	0	111.7	T546 K554	T546-T550 PolarHBondContact O-N 2.66Å; T546-T550 PolarHBondContact O-OG1 3.26Å; T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.36Å; T550-K554 PolarHBondContact O-N 2.86Å
551	R	96.1	Very high	95.7	Very high	145 Å²	145	107.7 Å²	107.7	55%	0.547	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-40.3	174.6	-172.3	178.2	-179.4	-157.1	-1.3	112.4	Y547 M548 V549 M555	Y547-R551 WeakPolarHBondContact O-CB 3.42Å; Y547-R551 PolarHBondContact O-N 2.88Å; M548-R551 PolarHBondContact O-N 3.17Å; V549-R551 PolarHBondContact O-N 3.12Å; R551-M555 WeakPolarHBondContact O-CB 3.35Å; R551-M555 PolarHBondContact O-N 3.05Å
552	R	96.6	Very high	95.7	Very high	146 Å²	146	104.9 Å²	104.9	55%	0.551	50%	0.503	S	S	*	.	H	α-helix	trans	-63.1	-49.4	176.6	-171	-174.4	70.8	-175.9	0.1	111.2	M548 V549 M555 K556	M548-R552 WeakPolarHBondContact O-CB 3.47Å; M548-R552 PolarHBondContact O-N 3.18Å; V549-R552 WeakPolarHBondContact O-CA 3.45Å; V549-R552 WeakPolarHBondContact O-CB 3.34Å; V549-R552 PolarHBondContact O-N 3.01Å; R552-M555 WeakPolarHBondContact O-CB 3.27Å; R552-M555 PolarHBondContact O-N 3.32Å; R552-K556 PolarHBondContact O-N 3.4Å
553	E	97	Very high	95.6	Very high	69 Å²	69	105.9 Å²	105.9	32%	0.322	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-34.5	-179.7	-55.1	-43.7	129.2	0	0	112.1	V549 M555 K556 R557	V549-E553 HydrophobicContact CG1-CG 4.35Å; V549-E553 PolarHBondContact O-N 3.39Å; E553-M555 VanDerWaalsContact C-N 3.32Å; E553-M555 PolarHBondContact O-N 3.49Å; E553-K556 VanDerWaalsContact CD-NZ 3.32Å; E553-K556 PolarHBondContact O-N 3.49Å; E553-K556 IonicContact OE1-NZ 3.74Å; E553-K556 PolarHBondContact OE1-NZ 3.48Å; E553-K556 VanDerWaalsContact OE1-NZ 3.08Å; E553-K556 WeakPolarHBondContact OE2-CD 3.47Å; E553-K556 WeakPolarHBondContact OE2-CE 3.47Å; E553-K556 IonicContact OE2-NZ 3.04Å; E553-K556 PolarHBondContact OE2-NZ 3.14Å; E553-R557 WeakPolarHBondContact O-CB 3.22Å; E553-R557 PolarHBondContact O-N 3.31Å
554	K	96.4	Very high	95.6	Very high	166 Å²	166	105 Å²	105	72%	0.722	50%	0.503	S	S	*	.	H	α-helix	trans	-61	-40.4	170.4	-172.4	171.4	-178	175.1	0	111.9	T550 R557 S558	T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.36Å; T550-K554 PolarHBondContact O-N 2.86Å; K554-R557 PolarHBondContact O-N 3.26Å; K554-S558 PolarHBondContact O-N 2.93Å; K554-S558 VanDerWaalsContact O-N 3.09Å; K554-S558 PolarHBondContact O-OG 3.24Å; K554-S558 VanDerWaalsContact O-OG 3.14Å
555	M	94.3	Very high	95.5	Very high	119 Å²	119	107.7 Å²	107.7	59%	0.586	51%	0.514	S	S	*	.	H	α-helix	trans	-66.1	-45	176.7	-171.7	66.6	79.5	0	0	112.2	R551 R552 E553 R557 S558 L559	R551-M555 WeakPolarHBondContact O-CB 3.35Å; R551-M555 PolarHBondContact O-N 3.05Å; R552-M555 WeakPolarHBondContact O-CB 3.27Å; R552-M555 PolarHBondContact O-N 3.32Å; E553-M555 VanDerWaalsContact C-N 3.32Å; E553-M555 PolarHBondContact O-N 3.49Å; M555-R557 PolarHBondContact O-N 3.5Å; M555-S558 WeakPolarHBondContact CA-OG 3.42Å; M555-S558 PolarHBondContact O-N 3.02Å; M555-S558 PolarHBondContact O-OG 2.86Å; M555-L559 PolarHBondContact O-N 3.27Å
556	K	96.3	Very high	95.4	Very high	102 Å²	102	106.4 Å²	106.4	44%	0.443	51%	0.507	S	S	.	.	H	α-helix	trans	-57.6	-47.7	173.1	-67.8	-173.2	-161.9	158.5	0	111.2	R552 E553 S558 L559 C560	R552-K556 PolarHBondContact O-N 3.4Å; E553-K556 VanDerWaalsContact CD-NZ 3.32Å; E553-K556 PolarHBondContact O-N 3.49Å; E553-K556 IonicContact OE1-NZ 3.74Å; E553-K556 PolarHBondContact OE1-NZ 3.48Å; E553-K556 VanDerWaalsContact OE1-NZ 3.08Å; E553-K556 WeakPolarHBondContact OE2-CD 3.47Å; E553-K556 WeakPolarHBondContact OE2-CE 3.47Å; E553-K556 IonicContact OE2-NZ 3.04Å; E553-K556 PolarHBondContact OE2-NZ 3.14Å; K556-S558 VanDerWaalsContact C-N 3.28Å; K556-S558 PolarHBondContact O-N 2.92Å; K556-L559 WeakPolarHBondContact O-CB 3.07Å; K556-L559 PolarHBondContact O-N 2.91Å; K556-C560 PolarHBondContact O-N 3.49Å; K556-C560 PolarHBondContact O-SG 3.26Å
557	R	95.5	Very high	95.2	Very high	185 Å²	185	108.9 Å²	108.9	70%	0.698	51%	0.511	S	S	*	.	H	α-helix	trans	-60.6	-35.1	179.8	-167.8	179.2	-176.5	-152.4	1.4	112.5	E553 K554 M555 K561	E553-R557 WeakPolarHBondContact O-CB 3.22Å; E553-R557 PolarHBondContact O-N 3.31Å; K554-R557 PolarHBondContact O-N 3.26Å; M555-R557 PolarHBondContact O-N 3.5Å; R557-K561 WeakPolarHBondContact O-CG 3.41Å; R557-K561 PolarHBondContact O-N 3.01Å
558	S	95.2	Very high	95.1	Very high	57 Å²	57	106.3 Å²	106.3	40%	0.399	50%	0.504	S	S	.	.	H	α-helix	trans	-69.6	-37.7	171.3	40.1	0	0	0	0	113.2	K554 M555 K556 K561 V562	K554-S558 PolarHBondContact O-N 2.93Å; K554-S558 VanDerWaalsContact O-N 3.09Å; K554-S558 PolarHBondContact O-OG 3.24Å; K554-S558 VanDerWaalsContact O-OG 3.14Å; M555-S558 WeakPolarHBondContact CA-OG 3.42Å; M555-S558 PolarHBondContact O-N 3.02Å; M555-S558 PolarHBondContact O-OG 2.86Å; K556-S558 VanDerWaalsContact C-N 3.28Å; K556-S558 PolarHBondContact O-N 2.92Å; S558-K561 PolarHBondContact O-N 2.99Å; S558-V562 WeakPolarHBondContact O-CG2 3.37Å; S558-V562 PolarHBondContact O-N 2.98Å; S558-V562 VanDerWaalsContact O-N 3.14Å
559	L	94.4	Very high	94.9	Very high	104 Å²	104	105.9 Å²	105.9	55%	0.545	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-48.6	176	-178.7	63	0	0	0	111.3	M555 K556 K561 V562 Q563	M555-L559 PolarHBondContact O-N 3.27Å; K556-L559 WeakPolarHBondContact O-CB 3.07Å; K556-L559 PolarHBondContact O-N 2.91Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 3.21Å; L559-V562 PolarHBondContact O-N 2.79Å; L559-Q563 WeakPolarHBondContact O-CG 3.44Å; L559-Q563 PolarHBondContact O-N 3.34Å
560	C	95	Very high	94.4	Very high	70 Å²	70	107.8 Å²	107.8	47%	0.473	51%	0.505	S	S	.	.	H	α-helix	trans	-60	-37.4	177.8	-59.3	0	0	0	0	112.1	K556 Q563 E564	K556-C560 PolarHBondContact O-N 3.49Å; K556-C560 PolarHBondContact O-SG 3.26Å; C560-Q563 PolarHBondContact O-N 2.98Å; C560-E564 VanDerWaalsContact O-CB 3.29Å; C560-E564 WeakPolarHBondContact O-CB 3.42Å; C560-E564 PolarHBondContact O-N 3.05Å
561	K	95.7	Very high	94.1	Very high	108 Å²	108	106 Å²	106	47%	0.47	49%	0.494	S	S	.	.	H	α-helix	trans	-64	-36.1	173.2	-82.7	-171.2	166.2	-135.8	0	113.7	R557 S558 L559 Q565	R557-K561 WeakPolarHBondContact O-CG 3.41Å; R557-K561 PolarHBondContact O-N 3.01Å; S558-K561 PolarHBondContact O-N 2.99Å; L559-K561 VanDerWaalsContact C-N 3.28Å; L559-K561 PolarHBondContact O-N 3.21Å; K561-Q565 WeakPolarHBondContact O-CB 3.07Å; K561-Q565 VanDerWaalsContact O-CG 3.25Å; K561-Q565 WeakPolarHBondContact O-CG 3.44Å; K561-Q565 PolarHBondContact O-N 3.49Å
562	V	94.8	Very high	93.7	Very high	71 Å²	71	105.1 Å²	105.1	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-71.7	-39	175.6	172.4	0	0	0	0	110.4	S558 L559 Q565 I566	S558-V562 WeakPolarHBondContact O-CG2 3.37Å; S558-V562 PolarHBondContact O-N 2.98Å; S558-V562 VanDerWaalsContact O-N 3.14Å; L559-V562 PolarHBondContact O-N 2.79Å; V562-Q565 PolarHBondContact O-N 2.98Å; V562-I566 HydrophobicContact CG1-CD1 3.91Å; V562-I566 VanDerWaalsContact O-CG1 3.26Å; V562-I566 WeakPolarHBondContact O-CG1 3.14Å; V562-I566 PolarHBondContact O-N 3.18Å
563	Q	93.6	Very high	93	Very high	108 Å²	108	102.5 Å²	102.5	51%	0.505	49%	0.487	S	S	.	.	H	α-helix	trans	-62.7	-43.8	173.2	-66.7	172.8	-61.7	0	0	111.8	L559 C560 I566 F567	L559-Q563 WeakPolarHBondContact O-CG 3.44Å; L559-Q563 PolarHBondContact O-N 3.34Å; C560-Q563 PolarHBondContact O-N 2.98Å; Q563-I566 PolarHBondContact O-N 3.11Å; Q563-F567 WeakPolarHBondContact O-CB 3.36Å; Q563-F567 PolarHBondContact O-N 3.26Å
564	E	95.3	Very high	92.1	Very high	102 Å²	102	103.2 Å²	103.2	48%	0.477	49%	0.493	S	S	.	.	H	α-helix	trans	-58	-45.6	173.1	-178.7	-170.1	176.3	0	0	111.6	C560 F567 Q568	C560-E564 VanDerWaalsContact O-CB 3.29Å; C560-E564 WeakPolarHBondContact O-CB 3.42Å; C560-E564 PolarHBondContact O-N 3.05Å; E564-F567 PolarHBondContact O-N 3.33Å; E564-Q568 WeakPolarHBondContact O-CB 3.36Å; E564-Q568 VanDerWaalsContact O-CG 3.27Å; E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.06Å; E564-Q568 PolarHBondContact OE1-NE2 3.01Å
565	Q	94.3	Very high	91.3	Very high	111 Å²	111	99 Å²	99	52%	0.519	48%	0.478	S	S	.	.	H	α-helix	trans	-64.4	-42	176.2	-76.4	173.4	-21.4	0	0	112.7	K561 V562 Q568 H569	K561-Q565 WeakPolarHBondContact O-CB 3.07Å; K561-Q565 VanDerWaalsContact O-CG 3.25Å; K561-Q565 WeakPolarHBondContact O-CG 3.44Å; K561-Q565 PolarHBondContact O-N 3.49Å; V562-Q565 PolarHBondContact O-N 2.98Å; Q565-Q568 PolarHBondContact O-N 3.07Å; Q565-H569 PolarHBondContact O-CD2 3.26Å; Q565-H569 VanDerWaalsContact O-CD2 3.26Å; Q565-H569 PolarHBondContact O-N 2.98Å
566	I	93.3	Very high	90.1	Very high	89 Å²	89	99 Å²	99	46%	0.456	48%	0.477	S	S	.	.	H	α-helix	trans	-60.9	-47.7	175.5	-70.5	163.6	0	0	0	110	V562 Q563 Q568 H569 Q570	V562-I566 HydrophobicContact CG1-CD1 3.91Å; V562-I566 VanDerWaalsContact O-CG1 3.26Å; V562-I566 WeakPolarHBondContact O-CG1 3.14Å; V562-I566 PolarHBondContact O-N 3.18Å; Q563-I566 PolarHBondContact O-N 3.11Å; I566-Q568 PolarHBondContact O-N 2.64Å; I566-H569 CarbonylContact O-C 3.57Å; I566-H569 WeakPolarHBondContact O-CA 3.42Å; I566-H569 WeakPolarHBondContact O-CB 3.41Å; I566-H569 PolarHBondContact O-N 3.49Å; I566-Q570 HydrophobicContact CG2-CG 4.44Å; I566-Q570 WeakPolarHBondContact O-CG 3.28Å; I566-Q570 PolarHBondContact O-N 2.78Å
567	F	92.9	Very high	88.4	Confident	131 Å²	131	96.7 Å²	96.7	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-60.7	-45.9	176.7	-178	-102.6	0	0	0	112.1	Q563 E564 H569 Q570 V571	Q563-F567 WeakPolarHBondContact O-CB 3.36Å; Q563-F567 PolarHBondContact O-N 3.26Å; E564-F567 PolarHBondContact O-N 3.33Å; F567-H569 PolarHBondContact O-N 3.07Å; F567-Q570 PolarHBondContact O-N 3.48Å; F567-Q570 VanDerWaalsContact O-N 3.14Å; F567-V571 HydrophobicContact CD1-CG2 4.21Å; F567-V571 HydrophobicContact CE1-CG2 3.8Å; F567-V571 HydrophobicContact CE2-CG2 4.17Å; F567-V571 HydrophobicContact CZ-CG2 3.77Å; F567-V571 WeakPolarHBondContact O-CG2 3.24Å; F567-V571 PolarHBondContact O-N 2.91Å
568	Q	92.7	Very high	86.7	Confident	90 Å²	90	94.8 Å²	94.8	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-23.7	174	-73.2	171.6	7	0	0	113.3	E564 Q565 I566 R572	E564-Q568 WeakPolarHBondContact O-CB 3.36Å; E564-Q568 VanDerWaalsContact O-CG 3.27Å; E564-Q568 WeakPolarHBondContact O-CG 3.46Å; E564-Q568 PolarHBondContact O-N 3.06Å; E564-Q568 PolarHBondContact OE1-NE2 3.01Å; Q565-Q568 PolarHBondContact O-N 3.07Å; I566-Q568 PolarHBondContact O-N 2.64Å; Q568-R572 WeakPolarHBondContact O-CG 3.24Å; Q568-R572 PolarHBondContact O-N 2.61Å; Q568-R572 PolarHBondContact O-NE 2.79Å; Q568-R572 PolarHBondContact O-NH2 2.93Å
569	H	89.6	Confident	85	Confident	104 Å²	104	99 Å²	99	48%	0.481	49%	0.488	S	S	.	.	H	α-helix	trans	-80.8	-40.1	171	-90.8	-78.2	0	0	0	112.1	Q565 I566 F567 R572 L573	Q565-H569 PolarHBondContact O-CD2 3.26Å; Q565-H569 VanDerWaalsContact O-CD2 3.26Å; Q565-H569 PolarHBondContact O-N 2.98Å; I566-H569 CarbonylContact O-C 3.57Å; I566-H569 WeakPolarHBondContact O-CA 3.42Å; I566-H569 WeakPolarHBondContact O-CB 3.41Å; I566-H569 PolarHBondContact O-N 3.49Å; F567-H569 PolarHBondContact O-N 3.07Å; H569-R572 PolarHBondContact CD2-NH2 3.24Å; H569-R572 PolarHBondContact CE1-NH2 3.34Å; H569-R572 VanDerWaalsContact CE1-NH2 3.28Å; H569-R572 VanDerWaalsContact CG-NH2 3.27Å; H569-R572 PolarHBondContact ND1-NH2 3.3Å; H569-R572 PolarHBondContact NE2-NH2 2.88Å; H569-R572 PolarHBondContact O-N 3.31Å; H569-L573 WeakPolarHBondContact O-CG 3.48Å; H569-L573 PolarHBondContact O-N 2.96Å
570	Q	88	Confident	83.4	Confident	99 Å²	99	99.6 Å²	99.6	46%	0.463	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-46.6	175.1	-71.5	169.5	-45	0	0	111.6	I566 F567 R572 L573 L574	I566-Q570 HydrophobicContact CG2-CG 4.44Å; I566-Q570 WeakPolarHBondContact O-CG 3.28Å; I566-Q570 PolarHBondContact O-N 2.78Å; F567-Q570 PolarHBondContact O-N 3.48Å; F567-Q570 VanDerWaalsContact O-N 3.14Å; Q570-R572 PolarHBondContact O-N 3.15Å; Q570-L573 PolarHBondContact O-N 3.36Å; Q570-L574 WeakPolarHBondContact O-CG 3.43Å; Q570-L574 PolarHBondContact O-N 3.28Å
571	V	89.6	Confident	81.4	Confident	49 Å²	49	98.7 Å²	98.7	30%	0.297	49%	0.494	S	S	.	.	H	α-helix	trans	-58.4	-48.3	175.1	173.3	0	0	0	0	111	F567 L573 L574 D575	F567-V571 HydrophobicContact CD1-CG2 4.21Å; F567-V571 HydrophobicContact CE1-CG2 3.8Å; F567-V571 HydrophobicContact CE2-CG2 4.17Å; F567-V571 HydrophobicContact CZ-CG2 3.77Å; F567-V571 WeakPolarHBondContact O-CG2 3.24Å; F567-V571 PolarHBondContact O-N 2.91Å; V571-L573 VanDerWaalsContact C-N 3.27Å; V571-L573 PolarHBondContact O-N 2.92Å; V571-L574 PolarHBondContact O-N 2.84Å; V571-L574 VanDerWaalsContact O-N 3.14Å; V571-D575 VanDerWaalsContact O-CG 3.22Å; V571-D575 PolarHBondContact O-N 2.81Å
572	R	86.3	Confident	79.3	Confident	128 Å²	128	102.4 Å²	102.4	48%	0.483	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-26.3	177.5	-82.1	179.4	-70.2	151.6	0.9	114.5	Q568 H569 Q570 H576	Q568-R572 WeakPolarHBondContact O-CG 3.24Å; Q568-R572 PolarHBondContact O-N 2.61Å; Q568-R572 PolarHBondContact O-NE 2.79Å; Q568-R572 PolarHBondContact O-NH2 2.93Å; H569-R572 PolarHBondContact CD2-NH2 3.24Å; H569-R572 PolarHBondContact CE1-NH2 3.34Å; H569-R572 VanDerWaalsContact CE1-NH2 3.28Å; H569-R572 VanDerWaalsContact CG-NH2 3.27Å; H569-R572 PolarHBondContact ND1-NH2 3.3Å; H569-R572 PolarHBondContact NE2-NH2 2.88Å; H569-R572 PolarHBondContact O-N 3.31Å; Q570-R572 PolarHBondContact O-N 3.15Å; R572-H576 VanDerWaalsContact O-CB 3.26Å; R572-H576 WeakPolarHBondContact O-CB 3.2Å; R572-H576 PolarHBondContact O-N 2.84Å; R572-H576 VanDerWaalsContact O-N 3.17Å
573	L	82.8	Confident	77.1	Confident	90 Å²	90	101.7 Å²	101.7	47%	0.471	51%	0.51	S	S	.	.	H	α-helix	trans	-73.2	-45.5	172.5	-73.4	167.9	0	0	0	110.5	H569 Q570 V571 D575 H576 E577	H569-L573 WeakPolarHBondContact O-CG 3.48Å; H569-L573 PolarHBondContact O-N 2.96Å; Q570-L573 PolarHBondContact O-N 3.36Å; V571-L573 VanDerWaalsContact C-N 3.27Å; V571-L573 PolarHBondContact O-N 2.92Å; L573-D575 PolarHBondContact O-N 3.47Å; L573-H576 CarbonylContact O-C 3.59Å; L573-H576 PolarHBondContact O-N 3.19Å; L573-H576 VanDerWaalsContact O-N 3.12Å; L573-E577 WeakPolarHBondContact O-CG 3.3Å; L573-E577 PolarHBondContact O-N 2.63Å
574	L	78.9	Confident	75.6	Confident	84 Å²	84	99.4 Å²	99.4	44%	0.44	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-44.1	174.5	-66.2	168	0	0	0	111.7	Q570 V571 H576 E577 L578	Q570-L574 WeakPolarHBondContact O-CG 3.43Å; Q570-L574 PolarHBondContact O-N 3.28Å; V571-L574 PolarHBondContact O-N 2.84Å; V571-L574 VanDerWaalsContact O-N 3.14Å; L574-H576 VanDerWaalsContact C-N 3.27Å; L574-H576 PolarHBondContact O-N 3.02Å; L574-E577 PolarHBondContact O-N 3.34Å; L574-L578 WeakPolarHBondContact O-CB 3.33Å; L574-L578 VanDerWaalsContact O-CG 3.22Å; L574-L578 WeakPolarHBondContact O-CG 3.45Å; L574-L578 PolarHBondContact O-N 3.43Å
575	D	78.6	Confident	73.8	Confident	77 Å²	77	98.3 Å²	98.3	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-58.3	-40.3	173.7	-64.5	-33.1	0	0	0	111.4	V571 L573 L579	V571-D575 VanDerWaalsContact O-CG 3.22Å; V571-D575 PolarHBondContact O-N 2.81Å; L573-D575 PolarHBondContact O-N 3.47Å; D575-L579 WeakPolarHBondContact O-CB 3.36Å; D575-L579 WeakPolarHBondContact O-CD1 3.5Å; D575-L579 WeakPolarHBondContact O-CG 3.38Å; D575-L579 PolarHBondContact O-N 3.23Å
576	H	68.9	Low	72	Confident	119 Å²	119	100.3 Å²	100.3	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-74.9	-31.1	179.9	-171.2	-80.2	0	0	0	112.9	R572 L573 L574 N580	R572-H576 VanDerWaalsContact O-CB 3.26Å; R572-H576 WeakPolarHBondContact O-CB 3.2Å; R572-H576 PolarHBondContact O-N 2.84Å; R572-H576 VanDerWaalsContact O-N 3.17Å; L573-H576 CarbonylContact O-C 3.59Å; L573-H576 PolarHBondContact O-N 3.19Å; L573-H576 VanDerWaalsContact O-N 3.12Å; L574-H576 VanDerWaalsContact C-N 3.27Å; L574-H576 PolarHBondContact O-N 3.02Å; H576-N580 PolarHBondContact CE1-ND2 3.5Å; H576-N580 PolarHBondContact ND1-ND2 2.97Å; H576-N580 PolarHBondContact NE2-ND2 2.9Å; H576-N580 WeakPolarHBondContact O-CB 3.21Å; H576-N580 PolarHBondContact O-N 2.93Å; H576-N580 PolarHBondContact O-ND2 2.89Å
577	E	61.5	Low	70.1	Confident	54 Å²	54	99.2 Å²	99.2	25%	0.252	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-45.8	170.6	-73.5	168.3	-171.4	0	0	110.5	L573 L574 L579 N580 G581	L573-E577 WeakPolarHBondContact O-CG 3.3Å; L573-E577 PolarHBondContact O-N 2.63Å; L574-E577 PolarHBondContact O-N 3.34Å; E577-L579 VanDerWaalsContact C-N 3.29Å; E577-L579 PolarHBondContact O-N 2.72Å; E577-N580 PolarHBondContact O-N 2.79Å; E577-G581 PolarHBondContact O-N 3.01Å
578	L	59.9	Low	68.5	Low	145 Å²	145	96.3 Å²	96.3	76%	0.759	51%	0.506	S	S	*	.	H	α-helix	trans	-61.7	-32.5	175.7	-71.8	167.6	0	0	0	113.3	L574	L574-L578 WeakPolarHBondContact O-CB 3.33Å; L574-L578 VanDerWaalsContact O-CG 3.22Å; L574-L578 WeakPolarHBondContact O-CG 3.45Å; L574-L578 PolarHBondContact O-N 3.43Å
579	L	59.3	Low	66.8	Low	147 Å²	147	98.4 Å²	98.4	77%	0.77	52%	0.516	S	S	*	.	H	α-helix	trans	-85.2	-17.4	179.4	-74.1	169.4	0	0	0	114.7	D575 E577	D575-L579 WeakPolarHBondContact O-CB 3.36Å; D575-L579 WeakPolarHBondContact O-CD1 3.5Å; D575-L579 WeakPolarHBondContact O-CG 3.38Å; D575-L579 PolarHBondContact O-N 3.23Å; E577-L579 VanDerWaalsContact C-N 3.29Å; E577-L579 PolarHBondContact O-N 2.72Å
580	N	60	Low	65.2	Low	115 Å²	115	101.8 Å²	101.8	62%	0.615	53%	0.525	S	S	*	.	H	α-helix	trans	-115.9	-11.5	-176.9	-66.9	-77.9	0	0	0	114.8	H576 E577	H576-N580 PolarHBondContact CE1-ND2 3.5Å; H576-N580 PolarHBondContact ND1-ND2 2.97Å; H576-N580 PolarHBondContact NE2-ND2 2.9Å; H576-N580 WeakPolarHBondContact O-CB 3.21Å; H576-N580 PolarHBondContact O-N 2.93Å; H576-N580 PolarHBondContact O-ND2 2.89Å; E577-N580 PolarHBondContact O-N 2.79Å
581	G	53.7	Low	63.6	Low	51 Å²	51	100.7 Å²	100.7	53%	0.526	52%	0.522	S	S	.	.			trans	101.8	135.1	163.5	0	0	0	0	0	116.3	E577	E577-G581 PolarHBondContact O-N 3.01Å
582	E	50.8	Low	62	Low	186 Å²	186	105.8 Å²	105.8	87%	0.869	54%	0.54	S	S	*	.			trans	41.1	78.7	162.7	-67.6	-68.3	119.1	0	0	116.9
583	P	50	Low	60.5	Low	57 Å²	57	104.3 Å²	104.3	37%	0.37	55%	0.549	S	S	.	.			trans	-67.6	139.5	169.3	29.5	-34.2	0	0	0	111.4
584	S	61.8	Low	59.1	Low	60 Å²	60	107.6 Å²	107.6	42%	0.42	57%	0.566	S	S	.	*			trans	-71.6	147.7	177.9	101.7	0	0	0	0	111.4	K586 D587	S584-K586 PolarHBondContact O-N 2.85Å; S584-K586 PolarHBondContact OG-N 3.48Å; S584-D587 WeakPolarHBondContact CB-OD2 3.17Å; S584-D587 PolarHBondContact O-N 3.31Å; S584-D587 PolarHBondContact OG-OD2 2.96Å
585	A	56.7	Low	57.5	Low	78 Å²	78	106.4 Å²	106.4	65%	0.645	57%	0.574	S	S	*	*	H	α-helix	trans	-55.1	-24.4	-178.8	0	0	0	0	0	114.4	D587 E589	A585-D587 VanDerWaalsContact C-N 3.31Å; A585-D587 PolarHBondContact O-N 3.21Å; A585-E589 PolarHBondContact O-N 3.13Å
586	K	55.9	Low	55.9	Low	153 Å²	153	107.4 Å²	107.4	67%	0.665	59%	0.587	S	S	*	*	H	α-helix	trans	-75.6	-18.5	179	-66.9	177	178.7	173.7	0	113.7	S584	S584-K586 PolarHBondContact O-N 2.85Å; S584-K586 PolarHBondContact OG-N 3.48Å
587	D	54.3	Low	54.3	Low	66 Å²	66	111.4 Å²	111.4	35%	0.353	60%	0.603	S	S	.	*	H	α-helix	trans	-89.3	-34.2	-179.1	-56.7	-64.7	0	0	0	110.3	S584 A585 R590 L591	S584-D587 WeakPolarHBondContact CB-OD2 3.17Å; S584-D587 PolarHBondContact O-N 3.31Å; S584-D587 PolarHBondContact OG-OD2 2.96Å; A585-D587 VanDerWaalsContact C-N 3.31Å; A585-D587 PolarHBondContact O-N 3.21Å; D587-R590 PolarHBondContact O-N 3.44Å; D587-R590 IonicContact OD1-NH1 3.99Å; D587-L591 PolarHBondContact O-N 3.37Å
588	L	59.4	Low	53	Low	70 Å²	70	114.6 Å²	114.6	37%	0.366	63%	0.632	S	S	.	*	H	α-helix	trans	-58.5	-46.2	167.4	-77	163.5	0	0	0	112.5	R590 L591 F592	L588-R590 PolarHBondContact O-N 2.95Å; L588-L591 PolarHBondContact O-N 3.39Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L588-F592 HydrophobicContact CD2-CE2 4.5Å; L588-F592 VanDerWaalsContact O-CD2 3.3Å; L588-F592 WeakPolarHBondContact O-CD2 3.43Å; L588-F592 PolarHBondContact O-N 3Å
589	E	57.2	Low	51.8	Low	134 Å²	134	113.4 Å²	113.4	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-56.2	-36.3	176.5	-75.7	-171	126.4	0	0	112.7	A585 S593	A585-E589 PolarHBondContact O-N 3.13Å; E589-S593 WeakPolarHBondContact O-CB 3.5Å; E589-S593 PolarHBondContact O-N 2.86Å; E589-S593 VanDerWaalsContact O-N 3.09Å; E589-S593 PolarHBondContact O-OG 3.19Å
590	R	55.4	Low	50.5	Low	176 Å²	176	114.5 Å²	114.5	66%	0.664	64%	0.642	S	S	*	*	H	α-helix	trans	-72	-35.2	178.4	-74	172.8	164.4	170.4	-5.4	113.2	D587 L588 S593	D587-R590 PolarHBondContact O-N 3.44Å; D587-R590 IonicContact OD1-NH1 3.99Å; L588-R590 PolarHBondContact O-N 2.95Å; R590-S593 PolarHBondContact O-N 2.92Å
591	L	55.3	Low	49.2	Very low	76 Å²	76	111.8 Å²	111.8	40%	0.398	64%	0.642	S	S	.	*	H	α-helix	trans	-66.9	-45.7	176.5	-72.3	169.7	0	0	0	111.2	D587 L588 S593 L594	D587-L591 PolarHBondContact O-N 3.37Å; L588-L591 PolarHBondContact O-N 3.39Å; L588-L591 VanDerWaalsContact O-N 3.13Å; L591-S593 VanDerWaalsContact C-N 3.34Å; L591-S593 PolarHBondContact O-N 2.87Å; L591-L594 PolarHBondContact O-N 2.95Å
592	F	55.8	Low	48.2	Very low	156 Å²	156	114.3 Å²	114.3	68%	0.684	65%	0.651	S	S	*	*	H	α-helix	trans	-66.3	-33.9	175.9	-72.2	-71	0	0	0	112.9	L588 L594 G595	L588-F592 HydrophobicContact CD2-CE2 4.5Å; L588-F592 VanDerWaalsContact O-CD2 3.3Å; L588-F592 WeakPolarHBondContact O-CD2 3.43Å; L588-F592 PolarHBondContact O-N 3Å; F592-L594 PolarHBondContact O-N 3.06Å; F592-L594 VanDerWaalsContact O-N 3.16Å; F592-G595 PolarHBondContact O-N 3.34Å; F592-G595 VanDerWaalsContact O-N 3.15Å
593	S	55.3	Low	47.1	Very low	96 Å²	96	113.7 Å²	113.7	67%	0.671	65%	0.648	S	S	*	*	H	α-helix	trans	-62.7	-18.9	178.7	-64.8	0	0	0	0	114.7	E589 R590 L591	E589-S593 WeakPolarHBondContact O-CB 3.5Å; E589-S593 PolarHBondContact O-N 2.86Å; E589-S593 VanDerWaalsContact O-N 3.09Å; E589-S593 PolarHBondContact O-OG 3.19Å; R590-S593 PolarHBondContact O-N 2.92Å; L591-S593 VanDerWaalsContact C-N 3.34Å; L591-S593 PolarHBondContact O-N 2.87Å
594	L	52	Low	46.1	Very low	160 Å²	160	117 Å²	117	84%	0.838	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-9.2	177.7	-79.7	164.2	0	0	0	114.4	L591 F592	L591-L594 PolarHBondContact O-N 2.95Å; F592-L594 PolarHBondContact O-N 3.06Å; F592-L594 VanDerWaalsContact O-N 3.16Å
595	G	46.4	Very low	44.4	Very low	58 Å²	58	117.6 Å²	117.6	60%	0.598	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-29.1	179.1	0	0	0	0	0	114.9	F592 F597	F592-G595 PolarHBondContact O-N 3.34Å; F592-G595 VanDerWaalsContact O-N 3.15Å; G595-F597 PolarHBondContact O-N 3.28Å
596	S	43.5	Very low	43	Very low	99 Å²	99	119.6 Å²	119.6	69%	0.692	70%	0.697	S	S	*	*			trans	-84.2	64.4	-165	-65.5	0	0	0	0	115.2
597	F	35.4	Very low	41.6	Very low	203 Å²	203	116.9 Å²	116.9	89%	0.89	70%	0.698	S	S	*	*			trans	-138	64.6	159.5	-81.3	-61.1	0	0	0	113.3	G595	G595-F597 PolarHBondContact O-N 3.28Å
598	S	33.8	Very low	40.1	Very low	121 Å²	121	125 Å²	125	85%	0.846	72%	0.724	S	S	*	*	S	Bend	trans	-167.7	141.9	142.5	-85.8	0	0	0	0	113.2
599	S	36.3	Very low	38.4	Very low	119 Å²	119	126.3 Å²	126.3	83%	0.832	74%	0.738	S	S	*	*			trans	65.6	64.6	158	-162	0	0	0	0	117.8
600	D	31.1	Very low	36.9	Very low	170 Å²	170	126.9 Å²	126.9	91%	0.909	75%	0.746	S	S	*	*			trans	-90	146.6	133.1	-154.3	-12.9	0	0	0	108.4
601	G	32.2	Very low	35.5	Very low	59 Å²	59	124.4 Å²	124.4	61%	0.608	76%	0.755	S	S	*	*			trans	-167.6	86	-164.6	0	0	0	0	0	115.4
602	S	33.3	Very low	34.1	Very low	104 Å²	104	123.9 Å²	123.9	73%	0.727	77%	0.768	S	S	*	*			trans	-159.4	132.5	156.7	-92.8	0	0	0	0	114.3
603	Q	29	Very low	32.7	Very low	173 Å²	173	123.5 Å²	123.5	81%	0.808	77%	0.773	S	S	*	*			trans	60.4	138.9	142.3	-57.2	-174.8	33	0	0	122.5
604	S	28.5	Very low	31.3	Very low	127 Å²	127	127 Å²	127	89%	0.888	78%	0.776	S	S	*	*			trans	92.2	167.8	144.7	85.6	0	0	0	0	118.6
605	G	25.9	Very low	30	Very low	71 Å²	71	124.1 Å²	124.1	73%	0.732	77%	0.769	S	S	*	*			trans	93.5	74.5	162.8	0	0	0	0	0	116.3
606	S	27.3	Very low	29	Very low	120 Å²	120	131 Å²	131	84%	0.839	78%	0.782	S	S	*	*			trans	-52.8	138.5	151.5	50.5	0	0	0	0	111.8
607	S	25.6	Very low	28.1	Very low	97 Å²	97	136.5 Å²	136.5	68%	0.678	79%	0.788	S	S	*	*				-173.9	171.6	108.4	-147	0	0	0	0	115.2
608	W	22.8	Very low	27.6	Very low	237 Å²	237	131.6 Å²	131.6	90%	0.898	78%	0.779	S	S	*	*			trans	-39	159.8	160.7	-57	-26	0	0	0	115.9
609	S	25	Very low	27.3	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	77%	0.769	S	S	*	*			cis	-173.5	166.2	-4.8	45.2	0	0	0	0	112.4
610	N	24.7	Very low	26.9	Very low	147 Å²	147	131.3 Å²	131.3	79%	0.786	77%	0.765	S	S	*	*			trans	60.5	136.9	145.1	-84.9	-12.7	0	0	0	122.3
611	S	26.8	Very low	26.7	Very low	123 Å²	123	131.7 Å²	131.7	86%	0.86	76%	0.758	S	S	*	*			trans	66.6	144.8	164.9	76.8	0	0	0	0	117
612	G	24.4	Very low	26.6	Very low	66 Å²	66	134.6 Å²	134.6	68%	0.68	76%	0.756	S	S	*	*			cis	164.5	176.6	-10.8	0	0	0	0	0	113.6
613	L	28.2	Very low	26.2	Very low	147 Å²	147	135.9 Å²	135.9	77%	0.77	75%	0.751	S	S	*	*			trans	71.3	114.3	161	-58.8	167.6	0	0	0	119.3
614	K	25.6	Very low	26.2	Very low	171 Å²	171	136 Å²	136	74%	0.743	74%	0.744	S	S	*	*				75.7	103.1	126.3	-68.2	173.9	178.2	164.8	0	120.2
615	S	24.3	Very low	26.2	Very low	99 Å²	99	139.2 Å²	139.2	69%	0.692	74%	0.736	S	S	*	*				79.9	140	108.9	-64.5	0	0	0	0	121.1
616	K	25.3	Very low	26.2	Very low	202 Å²	202	145 Å²	145	88%	0.878	74%	0.742	S	S	*	*			trans	68.6	156.1	155	-69.1	169.1	-177.4	179.1	0	115.5
617	R	24	Very low	26.1	Very low	215 Å²	215	143.5 Å²	143.5	81%	0.811	73%	0.731	S	S	*	*			cis	-170.8	145.3	-28.1	-176.9	-161.2	-173	-173.8	2.7	105.3
618	S	26.3	Very low	26	Very low	99 Å²	99	146.1 Å²	146.1	69%	0.692	74%	0.737	S	S	*	*			trans	62.7	170	159.8	37.9	0	0	0	0	116.8
619	S	26.7	Very low	26	Very low	93 Å²	93	139.4 Å²	139.4	65%	0.65	73%	0.726	S	S	*	*			cis	174.7	153.7	-37.4	-167.6	0	0	0	0	106.8
620	L	27.6	Very low	25.8	Very low	141 Å²	141	141.7 Å²	141.7	74%	0.738	73%	0.731	S	S	*	*			trans	62.4	132.1	164.1	-65.2	149	0	0	0	114.4
621	K	27.8	Very low	25.9	Very low	178 Å²	178	139.4 Å²	139.4	77%	0.774	73%	0.726	S	S	*	*			cis	-148.9	142.6	47.1	-86.9	-168.9	174.3	176.4	0	110.4
622	Q	28.7	Very low	26.4	Very low	120 Å²	120	138.9 Å²	138.9	56%	0.561	72%	0.72	S	S	*	*				84.1	113.1	57.4	-161.3	-164.8	-17.2	0	0	112.2
623	E	26.7	Very low	26.4	Very low	132 Å²	132	140.9 Å²	140.9	62%	0.617	72%	0.723	S	S	*	*			trans	63.5	157.4	148	-76.7	-174.8	94.6	0	0	119.6
624	R	28	Very low	26.2	Very low	175 Å²	175	139.1 Å²	139.1	66%	0.66	72%	0.718	S	S	*	*			cis	-165.9	169.7	20.2	-137.3	159.7	177.7	-150.6	-3.9	113.1
625	R	27.4	Very low	26.2	Very low	194 Å²	194	139 Å²	139	73%	0.732	72%	0.72	S	S	*	*			trans	71.8	126.8	157.5	-76.6	165.2	-176.1	-166.4	-2.7	115.3
626	K	27.1	Very low	26.2	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	73%	0.727	S	S	*	*				70.9	137.8	74.1	-84.5	-161.8	172.6	-166.7	0	112.6
627	S	24.1	Very low	26.2	Very low	88 Å²	88	144.7 Å²	144.7	62%	0.615	73%	0.726	S	S	*	*			cis	-175.8	177.6	-7	42.1	0	0	0	0	110.4
628	L	23.9	Very low	26.4	Very low	153 Å²	153	140.5 Å²	140.5	80%	0.801	72%	0.72	S	S	*	*			trans	78.3	136	178.6	-47.7	173.9	0	0	0	112.2
629	S	22.6	Very low	26.2	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	73%	0.73	S	S	*	*			cis	75.4	134.9	39	84.3	0	0	0	0	113.2
630	D	21.6	Very low	26.2	Very low	145 Å²	145	143.8 Å²	143.8	78%	0.775	74%	0.735	S	S	*	*			cis	-145	-171.4	19.8	-136	-54.6	0	0	0	115.5
631	S	27.6	Very low	26	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	74%	0.738	S	S	*	*			trans	-79.2	175.4	179.4	-35.2	0	0	0	0	112.1
632	P	35.6	Very low	25.6	Very low	112 Å²	112	139.7 Å²	139.7	73%	0.727	74%	0.739	S	S	*	*				-158.2	168.8	61.1	43.2	-21.5	0	0	0	120.2
633	S	25.1	Very low	25.4	Very low	108 Å²	108	140.6 Å²	140.6	76%	0.755	75%	0.748	S	S	*	*			trans	57.4	169.6	147.3	59.5	0	0	0	0	119.5
634	V	25	Very low	25.3	Very low	109 Å²	109	140.9 Å²	140.9	66%	0.661	75%	0.752	S	S	*	*			cis	-152	148	35	170.3	0	0	0	0	113
635	H	24.2	Very low	25.1	Very low	169 Å²	169	139 Å²	139	78%	0.782	76%	0.755	S	S	*	*			trans	41.1	135.4	165.1	-58.1	-33	0	0	0	121.9
636	R	24.7	Very low	25.1	Very low	221 Å²	221	136.5 Å²	136.5	83%	0.834	76%	0.755	S	S	*	*			cis	68	114.4	47.9	-97.4	-168.6	171.4	175.3	-0	116.2
637	K	25	Very low	25	Very low	200 Å²	200	135.9 Å²	135.9	87%	0.87	75%	0.753	S	S	*	*				-162.8	140	106.5	-145.5	176.4	-179.2	-175.8	0	112.6
638	D	27.9	Very low	25	Very low	127 Å²	127	137.1 Å²	137.1	68%	0.679	75%	0.752	S	S	*	*			trans	-95.7	175	174.3	-41.2	-90.4	0	0	0	110.8
639	N	22.9	Very low	25.1	Very low	167 Å²	167	133.8 Å²	133.8	89%	0.893	74%	0.742	S	S	*	*			trans	-143.7	144.3	153.4	-126.8	9.3	0	0	0	112.5
640	A	27.3	Very low	25.2	Very low	93 Å²	93	138 Å²	138	77%	0.769	75%	0.749	S	S	*	*			trans	-106	-178.1	-175.4	0	0	0	0	0	109.4
641	C	22.8	Very low	25.1	Very low	118 Å²	118	136.1 Å²	136.1	80%	0.797	75%	0.747	S	S	*	*			cis	-179.9	166.1	-23.7	175.9	0	0	0	0	105.1
642	S	20.5	Very low	25	Very low	115 Å²	115	136 Å²	136	80%	0.804	75%	0.746	S	S	*	*			trans	-152.6	157	150.9	-156	0	0	0	0	112.5
643	L	23.3	Very low	24.4	Very low	140 Å²	140	139 Å²	139	73%	0.733	75%	0.75	S	S	*	*			trans	-146	-172.4	179	-166.8	66.9	0	0	0	107.5
644	L	24.8	Very low	24.4	Very low	137 Å²	137	140.8 Å²	140.8	72%	0.717	75%	0.75	S	S	*	*			trans	83.3	137.9	168.1	-42.7	-177.2	0	0	0	114.2
645	D	24.1	Very low	24.3	Very low	135 Å²	135	142.3 Å²	142.3	72%	0.722	75%	0.749	S	S	*	*			cis	-167.8	-166.2	-11.9	-114.3	-9.2	0	0	0	110.2
646	I	27.1	Very low	24.3	Very low	142 Å²	142	142.2 Å²	142.2	73%	0.728	75%	0.749	S	S	*	*			trans	105.7	93.4	145.3	-55	-164.3	0	0	0	118.2
647	K	24.9	Very low	24.1	Very low	180 Å²	180	135.7 Å²	135.7	78%	0.783	74%	0.743	S	S	*	*				68.2	157.4	128.3	-68.7	-171.4	168.5	-169.5	0	121.2
648	D	23.2	Very low	24.7	Very low	114 Å²	114	132 Å²	132	61%	0.61	74%	0.739	S	S	*	*			cis	-155.2	169.6	-10.6	-132.9	-56.8	0	0	0	112.1
649	S	26.1	Very low	24.5	Very low	84 Å²	84	130 Å²	130	59%	0.587	74%	0.74	S	S	*	*			trans	25.7	153.2	142.2	-68.1	0	0	0	0	122.8
650	K	24.7	Very low	24.6	Very low	184 Å²	184	128.3 Å²	128.3	80%	0.8	74%	0.736	S	S	*	*			cis	-163.4	154	-2.3	-109.5	165.8	-174.3	175.1	0	108.2
651	S	21.2	Very low	24.5	Very low	105 Å²	105	132 Å²	132	73%	0.734	74%	0.737	S	S	*	*				40.9	136.5	100.3	-141	0	0	0	0	115.8
652	S	25.2	Very low	24.7	Very low	96 Å²	96	132.1 Å²	132.1	67%	0.671	74%	0.739	S	S	*	*			cis	-159.2	137.2	29.9	59.3	0	0	0	0	111.7
653	Q	22.4	Very low	24.9	Very low	176 Å²	176	135.6 Å²	135.6	82%	0.822	74%	0.74	S	S	*	*				72	123.8	94.1	-168.9	-176.4	-7	0	0	116.4
654	I	24.6	Very low	24.9	Very low	145 Å²	145	132.8 Å²	132.8	74%	0.744	75%	0.745	S	S	*	*			trans	-179.9	134.5	142.2	-97.8	158.3	0	0	0	110.8
655	Q	23.6	Very low	24.9	Very low	141 Å²	141	133.6 Å²	133.6	66%	0.659	75%	0.75	S	S	*	*			trans	15.3	156.4	145.1	-57.7	166.8	-78.3	0	0	121
656	E	23.6	Very low	25	Very low	166 Å²	166	131.4 Å²	131.4	78%	0.776	75%	0.75	S	S	*	*			cis	-161.1	-170.3	-2.6	-119.9	156.6	-151	0	0	110.3
657	A	21.8	Very low	24.9	Very low	85 Å²	85	133.8 Å²	133.8	70%	0.702	76%	0.756	S	S	*	*			trans	-133.6	-179.5	170	0	0	0	0	0	109.1
658	P	37.3	Very low	24.9	Very low	121 Å²	121	129.6 Å²	129.6	79%	0.786	75%	0.745	S	S	*	*			cis	-129.6	-153.8	-15.9	38.7	-19	0	0	0	111.7
659	A	22.9	Very low	25	Very low	85 Å²	85	132.3 Å²	132.3	70%	0.702	75%	0.753	S	S	*	*			trans	72.3	163.8	157.6	0	0	0	0	0	117.2
660	T	24.6	Very low	25	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	76%	0.755	S	S	*	*			cis	-149.7	179.9	-1.1	-17.6	0	0	0	0	111.5
661	E	25.2	Very low	25.1	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	75%	0.745	S	S	*	*			trans	-56.8	162.1	171.4	-46.8	177.3	136.4	0	0	115.4
662	S	27.8	Very low	25.2	Very low	120 Å²	120	133.4 Å²	133.4	84%	0.839	74%	0.744	S	S	*	*			trans	-149.3	130.4	147.5	64.2	0	0	0	0	111.9
663	K	24.5	Very low	25.2	Very low	189 Å²	189	133.1 Å²	133.1	82%	0.822	74%	0.737	S	S	*	*			trans	-87.6	158.9	171.5	-65.9	175	179.7	173.4	0	111.2
664	G	24.4	Very low	25.2	Very low	80 Å²	80	130 Å²	130	83%	0.825	74%	0.735	S	S	*	*			trans	-157.9	113.9	168.7	0	0	0	0	0	110.9
665	D	23.3	Very low	25.3	Very low	154 Å²	154	131.8 Å²	131.8	82%	0.824	74%	0.738	S	S	*	*			trans	-106.1	165.3	-169.8	-103	-64.6	0	0	0	113.7
666	A	26.9	Very low	25.2	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	75%	0.752	S	S	*	*			trans	75.5	157.6	160.8	0	0	0	0	0	117.7
667	K	25.4	Very low	25.2	Very low	193 Å²	193	136.2 Å²	136.2	84%	0.839	76%	0.755	S	S	*	*			cis	-151.9	125.7	8.6	-151.4	169.2	-174.6	-176.3	0	114.6
668	V	23.3	Very low	25.7	Very low	92 Å²	92	137.8 Å²	137.8	56%	0.558	76%	0.758	S	S	*	*			trans	24.4	124.5	136.3	-171.4	0	0	0	0	120.7	Q670	V668-Q670 HydrophobicContact CG1-CB 4.43Å; V668-Q670 HydrophobicContact CG1-CG 4.02Å
669	H	26.7	Very low	25	Very low	170 Å²	170	141.2 Å²	141.2	79%	0.787	76%	0.761	S	S	*	*				-167.9	131.6	111.1	-104.4	-83	0	0	0	108.8
670	Q	24.9	Very low	25	Very low	135 Å²	135	145.5 Å²	145.5	63%	0.631	77%	0.771	S	S	*	*			cis	71.1	132.9	38.8	-70.5	-161.8	-39.8	0	0	114.4	V668	V668-Q670 HydrophobicContact CG1-CB 4.43Å; V668-Q670 HydrophobicContact CG1-CG 4.02Å
671	L	26.8	Very low	24.8	Very low	111 Å²	111	148.1 Å²	148.1	58%	0.581	77%	0.772	S	S	*	*			cis	-154.3	-171.9	-0	-102.5	160.8	0	0	0	107.9	V673	L671-V673 HydrophobicContact CD2-CG2 4.29Å
672	E	24.5	Very low	24.7	Very low	151 Å²	151	147.2 Å²	147.2	71%	0.706	77%	0.771	S	S	*	*			cis	-155.2	132.7	8.1	-146.4	116.7	-154.8	0	0	108.3
673	V	24.6	Very low	24.5	Very low	89 Å²	89	148.6 Å²	148.6	54%	0.539	77%	0.765	S	S	.	*				56	122.9	95.9	-173.2	0	0	0	0	116.2	L671 K675	L671-V673 HydrophobicContact CD2-CG2 4.29Å; V673-K675 HydrophobicContact CG1-CD 4.17Å; V673-K675 HydrophobicContact CG1-CG 4.18Å
674	S	22.8	Very low	24.4	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	77%	0.77	S	S	*	*				-165.4	125.9	94	-68.6	0	0	0	0	111
675	K	25.5	Very low	24.3	Very low	183 Å²	183	151.4 Å²	151.4	80%	0.796	76%	0.763	S	S	*	*				62.6	115	76.1	-79.8	-178	177.7	170.8	0	114.9	V673	V673-K675 HydrophobicContact CG1-CD 4.17Å; V673-K675 HydrophobicContact CG1-CG 4.18Å
676	E	22.4	Very low	24.4	Very low	204 Å²	204	151.3 Å²	151.3	95%	0.953	76%	0.761	S	S	*	*				-161.1	-167.6	111.6	-119.8	-179.1	-161.2	0	0	114.7
677	K	24.4	Very low	24.3	Very low	196 Å²	196	155 Å²	155	85%	0.852	76%	0.763	S	S	*	*			trans	-122	-174.5	-164.4	-108.5	178.7	-176.7	-180	0	109.7
678	P	31.6	Very low	24.2	Very low	118 Å²	118	153.2 Å²	153.2	77%	0.766	76%	0.758	S	S	*	*			cis	-143	-177.1	23.2	44.2	-24.1	0	0	0	118.2
679	F	21.5	Very low	24.4	Very low	193 Å²	193	158.4 Å²	158.4	85%	0.846	78%	0.775	S	S	*	*			trans	-71.1	152.9	159	-106.9	-111.1	0	0	0	111.6
680	L	23.5	Very low	24.3	Very low	175 Å²	175	154.4 Å²	154.4	92%	0.916	77%	0.772	S	S	*	*			trans	-154	167.3	141.3	-112.5	179.1	0	0	0	111.7
681	K	21.3	Very low	24.2	Very low	187 Å²	187	153.6 Å²	153.6	81%	0.813	78%	0.782	S	S	*	*			trans	-146.7	119.8	-166.9	177	-177.6	179.6	179.8	0	110.7
682	L	22.8	Very low	24.1	Very low	151 Å²	151	155.5 Å²	155.5	79%	0.791	80%	0.797	S	S	*	*			trans	-154.9	106	174.8	-143.6	62.5	0	0	0	107.6
683	Q	22.6	Very low	24.1	Very low	150 Å²	150	157.3 Å²	157.3	70%	0.701	80%	0.803	S	S	*	*				69.8	110.5	73.9	-170.7	-176	10.9	0	0	112.8	V685	Q683-V685 HydrophobicContact CG-CG2 4.09Å
684	K	23.6	Very low	24.1	Very low	214 Å²	214	161.2 Å²	161.2	93%	0.93	82%	0.82	S	S	*	*			trans	-110.5	140.1	153.3	-97	-174.2	173.7	-179.9	0	108.3
685	V	22.6	Very low	24.1	Very low	113 Å²	113	164.5 Å²	164.5	69%	0.685	82%	0.822	S	S	*	*			trans	-100.2	151.5	-172	173.4	0	0	0	0	110.6	Q683	Q683-V685 HydrophobicContact CG-CG2 4.09Å
686	I	23.7	Very low	24.3	Very low	153 Å²	153	163.5 Å²	163.5	79%	0.785	82%	0.818	S	S	*	*			trans	-93.3	129.4	173	-61.5	168.2	0	0	0	109.1
687	Q	25.1	Very low	24.6	Very low	167 Å²	167	159.8 Å²	159.8	78%	0.78	81%	0.812	S	S	*	*			trans	-156.8	101	151.7	-148.1	158.4	7.6	0	0	106.7
688	E	24.7	Very low	24.7	Very low	155 Å²	155	157.1 Å²	157.1	72%	0.724	80%	0.802	S	S	*	*				57.6	113.4	89.7	-67.6	-162.6	142.6	0	0	114.7
689	H	26	Very low	24.5	Very low	200 Å²	200	156.9 Å²	156.9	93%	0.926	80%	0.804	S	S	*	*				-156.3	160.5	122.1	-101.7	-69.6	0	0	0	108.9
690	A	24.8	Very low	24.7	Very low	87 Å²	87	158 Å²	158	72%	0.719	80%	0.802	S	S	*	*			trans	-129.6	155.5	-156.3	0	0	0	0	0	115.5
691	S	23.6	Very low	24.8	Very low	118 Å²	118	158.5 Å²	158.5	83%	0.825	80%	0.797	S	S	*	*			trans	48.3	108	142.6	-60.1	0	0	0	0	120.9
692	V	24.8	Very low	24.9	Very low	150 Å²	150	153.3 Å²	153.3	91%	0.909	80%	0.796	S	S	*	*			trans	-136	140.9	141.2	177.9	0	0	0	0	109.8
693	K	24	Very low	26	Very low	189 Å²	189	152.1 Å²	152.1	82%	0.822	80%	0.797	S	S	*	*			trans	-97	154.9	175.8	-54.7	162.7	176.1	172.3	0	110.3
694	L	23.9	Very low	26.2	Very low	172 Å²	172	157.2 Å²	157.2	90%	0.901	81%	0.81	S	S	*	*				-166.6	172.6	121.5	-131.7	60.6	0	0	0	114.7
695	H	24.3	Very low	26.4	Very low	179 Å²	179	157.2 Å²	157.2	83%	0.829	80%	0.804	S	S	*	*			trans	-93	170.1	-175.7	-79	-74.6	0	0	0	114.5
696	K	28.2	Very low	26.5	Very low	162 Å²	162	159.6 Å²	159.6	70%	0.704	81%	0.808	S	S	*	*			trans	-26.9	150.7	145.5	-89.3	-168.1	172.5	-170.9	0	114	E698	K696-E698 WeakPolarHBondContact CE-OE2 3.48Å; K696-E698 IonicContact NZ-OE2 2.93Å; K696-E698 PolarHBondContact NZ-OE2 3.35Å
697	P	29.9	Very low	26.6	Very low	126 Å²	126	158.8 Å²	158.8	82%	0.818	81%	0.81	S	S	*	*				-137.7	161.2	103	38.5	-28.9	0	0	0	115.3
698	E	26.2	Very low	27.2	Very low	141 Å²	141	156.6 Å²	156.6	66%	0.659	81%	0.811	S	S	*	*			trans	-113.1	135.4	166.1	-66.8	159.5	79.6	0	0	109.4	K696	K696-E698 WeakPolarHBondContact CE-OE2 3.48Å; K696-E698 IonicContact NZ-OE2 2.93Å; K696-E698 PolarHBondContact NZ-OE2 3.35Å
699	S	26.5	Very low	27.3	Very low	113 Å²	113	153.2 Å²	153.2	79%	0.79	81%	0.809	S	S	*	*			trans	-172.7	120.3	153.7	-93.5	0	0	0	0	117.5
700	R	27.2	Very low	28.3	Very low	215 Å²	215	148.9 Å²	148.9	81%	0.811	80%	0.799	S	S	*	*				56.7	119.8	128.5	-71.8	-179.1	164.4	-177	-2.7	123.4
701	K	25.6	Very low	28.4	Very low	187 Å²	187	153.5 Å²	153.5	81%	0.813	81%	0.805	S	S	*	*				81	89.2	127.8	-69	-174.6	170.5	-168.3	0	122.8
702	G	23.5	Very low	28.5	Very low	77 Å²	77	156 Å²	156	79%	0.794	81%	0.81	S	S	*	*			trans	49.5	-164.3	130.9	0	0	0	0	0	121.5
703	P	45.6	Very low	28.9	Very low	126 Å²	126	157.6 Å²	157.6	82%	0.818	81%	0.807	S	S	*	*			cis	-134.5	165.2	-16.9	41.4	-26.8	0	0	0	115.1
704	R	25.8	Very low	29.3	Very low	258 Å²	258	154 Å²	154	97%	0.974	80%	0.801	S	S	*	*			trans	-161.8	-176.2	144.6	-126.5	174.9	174.5	152.5	-0.8	113.1
705	R	29.3	Very low	29.5	Very low	214 Å²	214	153.8 Å²	153.8	81%	0.808	80%	0.8	S	S	*	*			trans	-148.6	172.9	-153.6	-146.3	-167.5	-164.8	-169.2	4.5	112.4
706	E	24.6	Very low	29.7	Very low	163 Å²	163	148.2 Å²	148.2	76%	0.762	79%	0.791	S	S	*	*			trans	93	142.5	158.1	-73.8	145	-143.7	0	0	120.2
707	T	26	Very low	29.9	Very low	136 Å²	136	147 Å²	147	83%	0.834	79%	0.792	S	S	*	*			trans	-111.7	175.8	-172.7	-18.8	0	0	0	0	109.1
708	P	36.7	Very low	30	Very low	121 Å²	121	147.4 Å²	147.4	79%	0.786	78%	0.783	S	S	*	*				-153.7	-177.5	72.4	41	-19.2	0	0	0	116.7
709	A	27.3	Very low	30.2	Very low	84 Å²	84	148 Å²	148	69%	0.694	78%	0.783	S	S	*	*			trans	-105.4	171.3	158.9	0	0	0	0	0	109.8
710	P	45.8	Very low	30.2	Very low	109 Å²	109	149.3 Å²	149.3	71%	0.708	78%	0.777	S	S	*	*				-148.8	145.1	98.7	38.9	-20.9	0	0	0	114.5
711	E	27.7	Very low	30.1	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	77%	0.773	S	S	*	*				88	138.7	83.8	-63.6	172	167.1	0	0	117.4
712	N	26.5	Very low	31	Very low	171 Å²	171	142.5 Å²	142.5	91%	0.914	77%	0.772	S	S	*	*			trans	-163.9	144.7	143.4	-119.7	-33.5	0	0	0	109.8
713	E	32.5	Very low	31	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	77%	0.77	S	S	*	*			trans	-96	-169.9	-172.4	-64.8	-165.3	122.2	0	0	112.8
714	V	31.6	Very low	30.8	Very low	113 Å²	113	146.3 Å²	146.3	69%	0.685	77%	0.768	S	S	*	*			cis	-167.8	136.1	45.2	172.9	0	0	0	0	113
715	L	29	Very low	30.8	Very low	169 Å²	169	142.4 Å²	142.4	89%	0.885	76%	0.762	S	S	*	*			trans	53.5	149.7	157.9	-65.7	165.8	0	0	0	122.4
716	G	29.3	Very low	30.7	Very low	62 Å²	62	138.2 Å²	138.2	64%	0.639	75%	0.751	S	S	*	*			cis	164.3	149.6	-12.1	0	0	0	0	0	116.9
717	N	30.5	Very low	30.7	Very low	137 Å²	137	140.2 Å²	140.2	73%	0.733	75%	0.752	S	S	*	*			trans	69.8	149.3	163.8	-69.7	-13.6	0	0	0	120.6
718	H	32.2	Very low	30.6	Very low	134 Å²	134	137 Å²	137	62%	0.62	75%	0.746	S	S	*	*			cis	-163.2	138.1	-4	-120.7	10.6	0	0	0	113.7
719	K	30.7	Very low	30.2	Very low	154 Å²	154	142.3 Å²	142.3	67%	0.67	75%	0.75	S	S	*	*			trans	51.9	155	134.9	-70	180	164.2	-173.5	0	122.3
720	Q	26.5	Very low	30.1	Very low	140 Å²	140	146 Å²	146	65%	0.654	75%	0.75	S	S	*	*			cis	-163.6	136.4	4.6	-127.4	166.9	-34.8	0	0	114.4
721	D	24.7	Very low	29.1	Very low	137 Å²	137	151.1 Å²	151.1	73%	0.733	76%	0.755	S	S	*	*				32.9	163.1	127.2	-51.3	-18.8	0	0	0	124.3
722	P	46.1	Very low	29	Very low	121 Å²	121	153.4 Å²	153.4	79%	0.786	76%	0.756	S	S	*	*			cis	-144.9	-169.9	-26.9	37.7	-15.3	0	0	0	117.6
723	E	23.7	Very low	28.9	Very low	161 Å²	161	150.9 Å²	150.9	75%	0.752	75%	0.752	S	S	*	*			trans	-37.6	171.7	160	-75.5	-71.9	133.2	0	0	118.8
724	P	39.9	Very low	28.6	Very low	122 Å²	122	149 Å²	149	79%	0.792	75%	0.748	S	S	*	*			cis	-153.9	-156.4	39.1	46.5	-22.4	0	0	0	120
725	E	26	Very low	28.2	Very low	177 Å²	177	151.2 Å²	151.2	83%	0.827	75%	0.754	S	S	*	*			trans	-83.6	-170.7	-165.6	-50	-176.8	85.4	0	0	120.6
726	E	27.1	Very low	28	Very low	126 Å²	126	147.7 Å²	147.7	59%	0.589	74%	0.744	S	S	*	*			trans	99.4	108.2	151.3	-86.7	-95.1	108.7	0	0	122.4
727	R	26	Very low	27.6	Very low	205 Å²	205	154.2 Å²	154.2	77%	0.774	76%	0.758	S	S	*	*				60.4	97	122.6	-168.5	-173.2	-74.7	170.4	-16.3	121.8
728	G	23.9	Very low	27.2	Very low	69 Å²	69	152.9 Å²	152.9	71%	0.711	76%	0.759	S	S	*	*				106.7	123.2	101	0	0	0	0	0	123.3
729	R	26.6	Very low	26.7	Very low	231 Å²	231	155.9 Å²	155.9	87%	0.872	77%	0.771	S	S	*	*			trans	78.9	123.4	141.1	-68.3	178.2	168.8	176.8	-0.8	122.8
730	K	25.5	Very low	26.7	Very low	162 Å²	162	154.5 Å²	154.5	70%	0.704	78%	0.778	S	S	*	*				97	130.5	129.1	-83.9	176.6	177.9	176.2	0	122.3
731	R	26	Very low	26.4	Very low	216 Å²	216	153.3 Å²	153.3	82%	0.815	78%	0.784	S	S	*	*			trans	74.2	129.9	151.2	-68.4	173.4	173.8	-178.3	-4.9	116.1
732	R	25.1	Very low	26.4	Very low	231 Å²	231	154.7 Å²	154.7	87%	0.872	79%	0.786	S	S	*	*			cis	85.2	110.2	49	-98.3	-164.5	174	-127.7	5	113.9
733	S	25	Very low	25.3	Very low	118 Å²	118	155.2 Å²	155.2	83%	0.825	78%	0.781	S	S	*	*				-175.2	157.8	123	50.4	0	0	0	0	111.9
734	D	25.1	Very low	25.3	Very low	144 Å²	144	157.2 Å²	157.2	77%	0.77	79%	0.787	S	S	*	*			trans	-100.7	159.4	-172.9	-41	-102	0	0	0	112.9
735	I	24	Very low	24.6	Very low	159 Å²	159	158.9 Å²	158.9	82%	0.815	79%	0.789	S	S	*	*			trans	-170.6	124.9	157.1	-96.4	146.4	0	0	0	105
736	S	24	Very low	24.6	Very low	95 Å²	95	159.7 Å²	159.7	66%	0.664	79%	0.79	S	S	*	*			cis	95	101.6	26.9	79.6	0	0	0	0	115
737	E	21.7	Very low	24.4	Very low	199 Å²	199	164.1 Å²	164.1	93%	0.93	81%	0.808	S	S	*	*			trans	-164.2	-175.7	145.7	-116.5	168.5	-149.4	0	0	112.2
738	S	22.6	Very low	24.3	Very low	110 Å²	110	157.5 Å²	157.5	77%	0.769	80%	0.803	S	S	*	*			trans	-138.8	173.2	-139.8	64.1	0	0	0	0	119
739	F	21.4	Very low	24.5	Very low	196 Å²	196	159.4 Å²	159.4	86%	0.86	81%	0.806	S	S	*	*			trans	-50.8	161.7	-175.1	-65.8	-89	0	0	0	117.4
740	P	29.2	Very low	24.6	Very low	126 Å²	126	158.2 Å²	158.2	82%	0.818	81%	0.807	S	S	*	*				-133.2	174.6	100.4	36.4	-26.3	0	0	0	115.9
741	C	21.3	Very low	24.6	Very low	115 Å²	115	157.5 Å²	157.5	78%	0.777	81%	0.806	S	S	*	*			trans	-101.8	171.1	-174.7	-176.5	0	0	0	0	112.4
742	Q	23.8	Very low	24.8	Very low	166 Å²	166	155 Å²	155	78%	0.776	81%	0.808	S	S	*	*			trans	-176	122.2	135.1	-92.8	-79.7	6.4	0	0	113.9
743	L	22.8	Very low	24.9	Very low	132 Å²	132	149.1 Å²	149.1	69%	0.691	79%	0.794	S	S	*	*			trans	19.1	130.8	147.2	-98.5	67.9	0	0	0	123.5
744	K	25.3	Very low	25.2	Very low	202 Å²	202	153.2 Å²	153.2	88%	0.878	80%	0.797	S	S	*	*				-176.2	155	100.8	-103.1	156.6	-170.1	171.1	0	115.2
745	N	23.2	Very low	25.4	Very low	157 Å²	157	152.7 Å²	152.7	84%	0.84	80%	0.799	S	S	*	*			trans	-90.3	149.9	177.7	-67.4	-21.5	0	0	0	112.9
746	K	26.1	Very low	25.5	Very low	195 Å²	195	151.6 Å²	151.6	85%	0.848	80%	0.799	S	S	*	*				162.1	131.7	119.3	-90.4	171	-178.2	-178.1	0	111.5
747	F	24	Very low	25.6	Very low	218 Å²	218	152.1 Å²	152.1	96%	0.956	80%	0.803	S	S	*	*			trans	-146.8	146.3	144	-111.8	-77	0	0	0	110.4
748	G	24.3	Very low	26	Very low	66 Å²	66	149.7 Å²	149.7	68%	0.68	80%	0.795	S	S	*	*			trans	-112	159	-179	0	0	0	0	0	112.5
749	S	27.5	Very low	26.3	Very low	110 Å²	110	155.3 Å²	155.3	77%	0.769	80%	0.799	S	S	*	*			trans	-53.4	142.7	178.3	179.2	0	0	0	0	114.1
750	K	29.5	Very low	26.6	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	80%	0.796	S	S	*	*				-163.8	121.6	122.1	-103.1	155.1	-172.7	-178.8	0	115
751	H	24.6	Very low	26.6	Very low	147 Å²	147	153.2 Å²	153.2	68%	0.681	79%	0.794	S	S	*	*			trans	-26.2	142.7	157	-162	-99.4	0	0	0	117.7	D753	H751-D753 IonicContact CE1-OD2 3.32Å; H751-D753 PolarHBondContact CE1-OD2 2.79Å; H751-D753 IonicContact ND1-OD2 3.29Å; H751-D753 IonicContact NE2-OD2 3.25Å
752	L	30.1	Very low	26.9	Very low	164 Å²	164	154.7 Å²	154.7	86%	0.859	79%	0.794	S	S	*	*			trans	-158.3	117.7	155.4	-119.1	174.4	0	0	0	111.5
753	D	28.2	Very low	27.3	Very low	108 Å²	108	154.7 Å²	154.7	58%	0.578	80%	0.798	S	S	*	*			trans	-75.2	151.7	177.5	-69.2	-64	0	0	0	113.3	H751	H751-D753 IonicContact CE1-OD2 3.32Å; H751-D753 PolarHBondContact CE1-OD2 2.79Å; H751-D753 IonicContact ND1-OD2 3.29Å; H751-D753 IonicContact NE2-OD2 3.25Å
754	K	30.7	Very low	27.5	Very low	203 Å²	203	159.2 Å²	159.2	88%	0.883	81%	0.805	S	S	*	*			trans	-139.8	82.9	157.2	-69.7	-167.3	179	-179.7	0	111.3
755	T	28.9	Very low	27.6	Very low	134 Å²	134	156.6 Å²	156.6	82%	0.822	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.7	167.2	47	0	0	0	0	111
756	V	26.8	Very low	27.9	Very low	135 Å²	135	153.4 Å²	153.4	82%	0.818	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-95.8	116.9	171	178.9	0	0	0	0	108.9
757	S	26.3	Very low	27.9	Very low	106 Å²	106	152.1 Å²	152.1	74%	0.741	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-91.6	119.7	175.5	47.8	0	0	0	0	110.7
758	I	29.9	Very low	28	Very low	149 Å²	149	147.2 Å²	147.2	76%	0.764	79%	0.787	S	S	*	*			trans	-89.6	114.6	169.5	-60.9	174.3	0	0	0	107.2
759	R	27.6	Very low	28.1	Very low	227 Å²	227	152.4 Å²	152.4	86%	0.857	80%	0.799	S	S	*	*			trans	-80.2	125.5	167.2	-70.3	-179.6	176.6	160.1	-1.4	108.5
760	L	28.4	Very low	28.1	Very low	150 Å²	150	155 Å²	155	79%	0.785	80%	0.799	S	S	*	*			trans	-68.3	144.5	163.1	-81.4	68.9	0	0	0	108.2
761	V	29.8	Very low	27.9	Very low	128 Å²	128	156.4 Å²	156.4	78%	0.776	80%	0.8	S	S	*	*			trans	-107	114.4	168	177.5	0	0	0	0	106.5	I763	V761-I763 PolarHBondContact O-N 3.08Å
762	D	27.3	Very low	27.9	Very low	147 Å²	147	154.8 Å²	154.8	79%	0.786	80%	0.796	S	S	*	*			trans	-70.4	116.3	173.6	-77.1	-44.9	0	0	0	109.6	R764	D762-R764 PolarHBondContact O-N 2.76Å
763	I	31.5	Very low	27.8	Very low	165 Å²	165	157.1 Å²	157.1	85%	0.846	80%	0.799	S	S	*	*			trans	-87.2	96.6	168.7	-59.3	178.5	0	0	0	107.7	V761	V761-I763 PolarHBondContact O-N 3.08Å
764	R	28.2	Very low	27.7	Very low	227 Å²	227	158.2 Å²	158.2	86%	0.857	81%	0.805	S	S	*	*			trans	-110.3	116	159.9	-89.1	-177.4	163.1	-176.4	-5.7	108.9	D762	D762-R764 PolarHBondContact O-N 2.76Å
765	N	27.2	Very low	27.4	Very low	148 Å²	148	155.9 Å²	155.9	79%	0.791	80%	0.802	S	S	*	*				-144.8	136	124.7	-87	-3	0	0	0	104.4
766	S	29.4	Very low	27.3	Very low	90 Å²	90	152.7 Å²	152.7	63%	0.629	79%	0.79	S	S	*	*			cis	76.4	62.4	35.1	87.1	0	0	0	0	114.4
767	D	26.1	Very low	27.2	Very low	167 Å²	167	152.4 Å²	152.4	89%	0.893	79%	0.789	S	S	*	*			trans	-92	130.5	140	-74.1	-41.5	0	0	0	107.8
768	S	26	Very low	27.3	Very low	116 Å²	116	152.8 Å²	152.8	81%	0.811	79%	0.787	S	S	*	*			trans	-159.7	93.8	175.5	-68.5	0	0	0	0	108.3
769	D	26.9	Very low	27.2	Very low	175 Å²	175	156.6 Å²	156.6	94%	0.936	79%	0.791	S	S	*	*			trans	-106.2	134.7	166.2	-100.2	-32.2	0	0	0	108.5
770	E	26.9	Very low	27.2	Very low	165 Å²	165	157.1 Å²	157.1	77%	0.771	79%	0.793	S	S	*	*			trans	-81.8	156.5	-177.8	-55.5	-176.8	137.1	0	0	111.8
771	Y	25	Very low	27	Very low	234 Å²	234	156 Å²	156	92%	0.918	80%	0.798	S	S	*	*			trans	-145.8	137.9	139.6	-114.4	-78.6	0	0	0	111.1
772	L	25.5	Very low	26.8	Very low	112 Å²	112	153.2 Å²	153.2	59%	0.586	80%	0.795	S	S	*	*			trans	-79.5	159.8	-174.1	-67.1	82.1	0	0	0	112.8
773	F	26.5	Very low	26.7	Very low	214 Å²	214	151.1 Å²	151.1	94%	0.939	80%	0.798	S	S	*	*			trans	-133.7	116.2	139.2	-97.3	-83.8	0	0	0	108.9
774	D	26.2	Very low	26.3	Very low	131 Å²	131	148.2 Å²	148.2	70%	0.701	79%	0.793	S	S	*	*			trans	-67.2	152.8	156	-69.1	-67.6	0	0	0	108.5
775	D	24.6	Very low	26.3	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	79%	0.787	S	S	*	*				-172.2	-179.5	54.3	-175.6	23.1	0	0	0	111.4
776	A	26.3	Very low	26.2	Very low	68 Å²	68	144 Å²	144	56%	0.562	79%	0.786	S	S	*	*			trans	80.5	70.2	145	0	0	0	0	0	121.3
777	T	26.2	Very low	25.9	Very low	129 Å²	129	144.7 Å²	144.7	79%	0.791	80%	0.798	S	S	*	*				61.8	143.1	123	-26.6	0	0	0	0	123.4
778	T	28.2	Very low	26	Very low	114 Å²	114	141.1 Å²	141.1	70%	0.699	79%	0.791	S	S	*	*			trans	92.4	80.2	145.8	4.6	0	0	0	0	122.1
779	R	28	Very low	26.8	Very low	228 Å²	228	140.6 Å²	140.6	86%	0.86	79%	0.785	S	S	*	*				45.3	139.3	118	-64	-179.1	170.4	-166.9	-3.6	122.5
780	R	26.1	Very low	26.7	Very low	238 Å²	238	139.2 Å²	139.2	90%	0.898	78%	0.777	S	S	*	*			trans	111.5	149.4	138.7	-90.2	-178.1	180	-172.9	0.9	119.4
781	S	25.4	Very low	26.7	Very low	128 Å²	128	136.4 Å²	136.4	90%	0.895	77%	0.772	S	S	*	*			trans	-110.4	153.1	-165.1	-18.8	0	0	0	0	113
782	G	26	Very low	26.7	Very low	68 Å²	68	133.5 Å²	133.5	70%	0.701	76%	0.764	S	S	*	*			trans	166.3	137.5	170.1	0	0	0	0	0	108.2
783	A	25	Very low	26.6	Very low	104 Å²	104	137.5 Å²	137.5	86%	0.86	78%	0.777	S	S	*	*			cis	64.8	126.4	36	0	0	0	0	0	112.7
784	S	23.4	Very low	26.5	Very low	104 Å²	104	136.4 Å²	136.4	73%	0.727	77%	0.772	S	S	*	*			cis	-166	172	-7.3	-154.6	0	0	0	0	111.4
785	L	26.5	Very low	26.9	Very low	141 Å²	141	135.2 Å²	135.2	74%	0.738	77%	0.771	S	S	*	*			trans	67.7	127.6	156.6	-69.5	158.5	0	0	0	121.9
786	D	25	Very low	26.9	Very low	144 Å²	144	133 Å²	133	77%	0.77	77%	0.767	S	S	*	*			trans	30.7	128.3	131.8	-54	-12.1	0	0	0	122.6
787	A	25	Very low	26.8	Very low	106 Å²	106	134.7 Å²	134.7	88%	0.876	78%	0.776	S	S	*	*				-176.5	151.4	106.7	0	0	0	0	0	113.5
788	A	28.3	Very low	26.7	Very low	91 Å²	91	134.2 Å²	134.2	75%	0.752	77%	0.772	S	S	*	*			trans	-113.6	167.6	158.3	0	0	0	0	0	108.1
789	P	41.1	Very low	26.6	Very low	106 Å²	106	133.7 Å²	133.7	69%	0.688	77%	0.773	S	S	*	*				-161.1	175.8	76.8	43.1	-22.8	0	0	0	118.3
790	N	25.8	Very low	26.4	Very low	145 Å²	145	129.6 Å²	129.6	78%	0.775	77%	0.768	S	S	*	*			trans	67	158.2	146.5	-74.1	-28.8	0	0	0	119.4
791	T	26.6	Very low	26.3	Very low	106 Å²	106	122 Å²	122	65%	0.65	75%	0.751	S	S	*	*			cis	-152.4	158	3.3	-7.2	0	0	0	0	113.1
792	K	24.8	Very low	26.2	Very low	173 Å²	173	125 Å²	125	75%	0.752	75%	0.748	S	S	*	*			trans	16.9	138.2	146.9	-63.5	163	-172.7	175.5	0	119.4
793	F	24.2	Very low	26.2	Very low	197 Å²	197	125.6 Å²	125.6	86%	0.864	75%	0.747	S	S	*	*				-164.1	178.4	76.7	-107	-81.8	0	0	0	115.5
794	K	23.5	Very low	26.1	Very low	190 Å²	190	128.2 Å²	128.2	83%	0.826	75%	0.746	S	S	*	*			trans	-144.2	167.9	178.4	-120	-176.3	-178.4	-177.8	0	107.2
795	P	34.8	Very low	26	Very low	107 Å²	107	127.2 Å²	127.2	70%	0.695	74%	0.74	S	S	*	*				-155.6	-171.7	53.8	36.1	-10.7	0	0	0	117.9
796	S	24.1	Very low	25.9	Very low	105 Å²	105	131.1 Å²	131.1	73%	0.734	75%	0.745	S	S	*	*			trans	59.2	156.6	146.5	47.4	0	0	0	0	121.7
797	S	24.9	Very low	25.9	Very low	105 Å²	105	129.9 Å²	129.9	73%	0.734	74%	0.737	S	S	*	*			cis	179.2	179.2	-20.5	54.3	0	0	0	0	108.1
798	V	24.6	Very low	25.8	Very low	119 Å²	119	135.2 Å²	135.2	72%	0.721	74%	0.735	S	S	*	*			cis	-155.2	158.9	0.8	-138.7	0	0	0	0	109.2
799	S	25.6	Very low	25.7	Very low	102 Å²	102	140.1 Å²	140.1	71%	0.713	74%	0.739	S	S	*	*			trans	65.4	161.1	147.1	73.2	0	0	0	0	119.7
800	D	22.8	Very low	25.5	Very low	142 Å²	142	140 Å²	140	76%	0.759	74%	0.739	S	S	*	*			cis	-155.8	161	-1.2	-139.7	-35.3	0	0	0	115.6
801	S	25.1	Very low	25.5	Very low	78 Å²	78	138.6 Å²	138.6	55%	0.545	74%	0.735	S	S	.	*			trans	46.4	124.4	140.2	-78.7	0	0	0	0	127.1
802	K	24.2	Very low	25.4	Very low	191 Å²	191	141 Å²	141	83%	0.83	74%	0.744	S	S	*	*				82.8	114.4	121.5	-73.6	175.3	179.1	167.3	0	124.7
803	A	24.3	Very low	25.5	Very low	81 Å²	81	135.6 Å²	135.6	67%	0.669	74%	0.737	S	S	*	*				86.5	145.2	112.6	0	0	0	0	0	123.6
804	N	24.1	Very low	25.5	Very low	159 Å²	159	132.2 Å²	132.2	85%	0.85	74%	0.738	S	S	*	*			trans	69.1	157.2	148.1	-72	-2	0	0	0	119.4
805	S	21.7	Very low	25.7	Very low	84 Å²	84	127.2 Å²	127.2	59%	0.587	73%	0.727	S	S	*	*			cis	-167	142.3	-22.6	-172.7	0	0	0	0	112.6
806	W	22.5	Very low	25.4	Very low	223 Å²	223	131.1 Å²	131.1	85%	0.845	74%	0.736	S	S	*	*			trans	54.4	132.3	141.9	-74.9	27.8	0	0	0	124.6
807	L	25.1	Very low	25.5	Very low	117 Å²	117	130.4 Å²	130.4	61%	0.613	74%	0.736	S	S	*	*				113	146.9	120.3	-120	61.4	0	0	0	123.8
808	R	24.6	Very low	26.1	Very low	219 Å²	219	131.3 Å²	131.3	83%	0.826	74%	0.739	S	S	*	*			trans	67.8	126.7	158.8	-64.2	-174.3	-162.6	-88.5	-3.8	117.6
809	K	24.9	Very low	26.1	Very low	194 Å²	194	133.6 Å²	133.6	84%	0.843	75%	0.748	S	S	*	*			cis	65.1	155.4	15.9	-106.7	-153.7	176.4	-176.7	0	116.1
810	P	37.9	Very low	26.1	Very low	104 Å²	104	132.4 Å²	132.4	68%	0.675	75%	0.752	S	S	*	*			cis	-91.7	-133.7	8.5	19.5	1.7	0	0	0	111.7
811	T	25.1	Very low	26.3	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	76%	0.756	S	S	*	*			cis	-168.9	162.9	-3.4	-5.7	0	0	0	0	105.5
812	N	25.1	Very low	26.3	Very low	157 Å²	157	132.4 Å²	132.4	84%	0.84	77%	0.769	S	S	*	*			cis	-163.5	174.2	-22.7	-122.6	17	0	0	0	106.1
813	G	25.5	Very low	26.4	Very low	59 Å²	59	129.3 Å²	129.3	61%	0.608	77%	0.771	S	S	*	*			cis	163	139.1	-8.4	0	0	0	0	0	111.8
814	S	25.9	Very low	26.6	Very low	125 Å²	125	128.6 Å²	128.6	87%	0.874	77%	0.771	S	S	*	*			trans	67.9	153.3	169.9	-79.6	0	0	0	0	119.2
815	S	27.1	Very low	26.7	Very low	86 Å²	86	128.4 Å²	128.4	60%	0.601	77%	0.765	S	S	*	*			cis	-173.2	164.5	-12.9	47.5	0	0	0	0	114
816	H	28	Very low	27	Very low	188 Å²	188	132.1 Å²	132.1	87%	0.87	78%	0.778	S	S	*	*			trans	82.2	153.4	158.3	-63.9	-63.1	0	0	0	121.6
817	A	26.3	Very low	27.5	Very low	90 Å²	90	129.9 Å²	129.9	74%	0.744	77%	0.774	S	S	*	*			trans	-143.4	170.2	176.6	0	0	0	0	0	108.4
818	P	37.1	Very low	27.5	Very low	124 Å²	124	127.9 Å²	127.9	81%	0.805	78%	0.781	S	S	*	*				-151.7	173	100.9	39	-21.2	0	0	0	117.6
819	N	25.8	Very low	27.9	Very low	168 Å²	168	127.7 Å²	127.7	90%	0.898	78%	0.781	S	S	*	*			trans	-23.4	147.4	172.5	-57.1	-24.1	0	0	0	121.3
820	G	25.4	Very low	28.1	Very low	77 Å²	77	122 Å²	122	79%	0.794	78%	0.777	S	S	*	*			trans	-169.1	131	158.4	0	0	0	0	0	114.2
821	S	26.2	Very low	27.6	Very low	121 Å²	121	124.7 Å²	124.7	85%	0.846	78%	0.778	S	S	*	*			trans	-61.8	128	178.3	45.4	0	0	0	0	113.2
822	A	25	Very low	28	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	77%	0.766	S	S	*	*				85.5	106.4	63.6	0	0	0	0	0	115.8
823	S	27.4	Very low	28.1	Very low	125 Å²	125	125.3 Å²	125.3	87%	0.874	76%	0.759	S	S	*	*			trans	-170.6	138.9	145.9	-167.7	0	0	0	0	114.4	H825	S823-H825 PolarHBondContact O-N 2.96Å
824	G	28	Very low	28.4	Very low	66 Å²	66	126.6 Å²	126.6	68%	0.68	75%	0.751	S	S	*	*			trans	46.9	64.7	135.7	0	0	0	0	0	122.3	L826	G824-L826 PolarHBondContact O-N 3.43Å
825	H	26.1	Very low	28.4	Very low	155 Å²	155	126.5 Å²	126.5	72%	0.718	75%	0.747	S	S	*	*			trans	-79.6	97.8	167.9	-178.2	81.1	0	0	0	112.3	S823 K827	S823-H825 PolarHBondContact O-N 2.96Å; H825-K827 WeakPolarHBondContact NE2-CG 3.42Å
826	L	28.4	Very low	28.5	Very low	163 Å²	163	130.2 Å²	130.2	85%	0.853	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-84.8	136.4	158.5	-82.9	96.7	0	0	0	109.7	G824	G824-L826 PolarHBondContact O-N 3.43Å
827	K	32.6	Very low	28.5	Very low	176 Å²	176	128.2 Å²	128.2	77%	0.765	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-82.7	127.1	179.1	-69	-174.9	175.6	-170.8	0	110.4	H825	H825-K827 WeakPolarHBondContact NE2-CG 3.42Å
828	G	25.3	Very low	28.5	Very low	74 Å²	74	128.8 Å²	128.8	76%	0.763	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-69.6	169.3	-178.4	0	0	0	0	0	114.2
829	W	33.2	Very low	28.1	Very low	216 Å²	216	130.7 Å²	130.7	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-75.4	154.6	174.2	-76.8	34.6	0	0	0	111.4
830	G	28	Very low	28.5	Very low	74 Å²	74	132.1 Å²	132.1	76%	0.763	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-70	128.3	171.9	0	0	0	0	0	110.9	F832	G830-F832 PolarHBondContact O-N 2.97Å
831	K	28.4	Very low	28.7	Very low	161 Å²	161	134.1 Å²	134.1	70%	0.7	74%	0.742	S	S	*	*			trans	-41.5	116.6	-177	-63.5	-179.8	175.3	-170.3	0	113.3
832	F	32.4	Very low	29.1	Very low	104 Å²	104	134.6 Å²	134.6	46%	0.456	74%	0.743	S	S	.	*			trans	-97.9	107.7	169.6	-176.5	-90.5	0	0	0	108.4	P348 V413 G830 I834	P348-F832 HydrophobicContact CB-CD2 4.45Å; P348-F832 HydrophobicContact CB-CE2 3.87Å; V413-F832 HydrophobicContact CG2-CD1 4.28Å; G830-F832 PolarHBondContact O-N 2.97Å; F832-I834 HydrophobicContact CD1-CG1 4.05Å; F832-I834 HydrophobicContact CE1-CD1 4.26Å; F832-I834 HydrophobicContact CE1-CG1 3.71Å
833	R	27.6	Very low	29.1	Very low	180 Å²	180	135.6 Å²	135.6	68%	0.679	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-96.8	121.7	-179.4	-79.8	-169.8	162.6	-161.7	-10.8	111.7	D411	D411-R833 IonicContact OD2-CZ 2.66Å; D411-R833 IonicContact OD2-NE 3.73Å; D411-R833 PolarHBondContact OD2-NE 3.37Å; D411-R833 VanDerWaalsContact OD2-NE 3.1Å; D411-R833 IonicContact OD2-NH2 2.61Å; D411-R833 PolarHBondContact OD2-NH2 3.05Å
834	I	32.2	Very low	29.1	Very low	87 Å²	87	134 Å²	134	45%	0.446	74%	0.738	S	S	.	*	P	Polyproline II helix	trans	-91.9	122.7	164.5	-55.5	173.4	0	0	0	106.6	V413 F832	V413-I834 HydrophobicContact CG2-CD1 4.41Å; F832-I834 HydrophobicContact CD1-CG1 4.05Å; F832-I834 HydrophobicContact CE1-CD1 4.26Å; F832-I834 HydrophobicContact CE1-CG1 3.71Å
835	P	26.9	Very low	28.9	Very low	123 Å²	123	136.9 Å²	136.9	80%	0.799	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.5	169.7	-21.1	33.4	0	0	0	110.4
836	K	27.6	Very low	28.9	Very low	164 Å²	164	137 Å²	137	71%	0.713	75%	0.748	S	S	*	*			trans	-111	134.8	173.5	-74	-173.6	174.6	-178.3	0	110.2
837	R	28.7	Very low	28.7	Very low	146 Å²	146	140.5 Å²	140.5	55%	0.551	75%	0.749	S	S	*	*			trans	-63	160.2	160.9	-63.6	-174.4	-178	-127.5	-16.7	110.2	E269 D270	E269-R837 VanDerWaalsContact CD-NE 3.32Å; E269-R837 IonicContact OE2-CZ 3.13Å; E269-R837 VanDerWaalsContact OE2-CZ 3.27Å; E269-R837 IonicContact OE2-NE 3.08Å; E269-R837 PolarHBondContact OE2-NE 3.3Å; E269-R837 IonicContact OE2-NH2 3.96Å; E269-R837 PolarHBondContact OE2-NH2 3.39Å; D270-R837 IonicContact OD2-CZ 3.79Å; D270-R837 VanDerWaalsContact OD2-CZ 3.24Å; D270-R837 IonicContact OD2-NH1 3.2Å; D270-R837 PolarHBondContact OD2-NH1 3.12Å; D270-R837 IonicContact OD2-NH2 2.74Å; D270-R837 PolarHBondContact OD2-NH2 3.42Å
838	A	27.2	Very low	28.3	Very low	101 Å²	101	139.9 Å²	139.9	84%	0.835	75%	0.749	S	S	*	*			trans	-126.7	137	173.1	0	0	0	0	0	109.8
839	D	28.3	Very low	28.3	Very low	164 Å²	164	147 Å²	147	88%	0.877	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-86.3	164.8	-175	-90.8	-59.8	0	0	0	114.6
840	K	33.3	Very low	27.9	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-69.9	143	-177.6	-62.9	170.3	-179.8	168.5	0	113.5
841	P	30.4	Very low	27.8	Very low	118 Å²	118	144.9 Å²	144.9	77%	0.766	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-91	167.2	152.2	34	-29	0	0	0	112.5
842	P	33.6	Very low	27.6	Very low	132 Å²	132	144.8 Å²	144.8	86%	0.857	75%	0.751	S	S	*	*			trans	-97.6	-179	-160.9	38.8	-38.2	0	0	0	116.2
843	S	26.1	Very low	27.2	Very low	120 Å²	120	147.6 Å²	147.6	84%	0.839	77%	0.766	S	S	*	*			trans	-89.1	138.4	-172.1	57.2	0	0	0	0	116.2
844	A	26.1	Very low	27.8	Very low	91 Å²	91	144 Å²	144	75%	0.752	77%	0.765	S	S	*	*			trans	-157.1	109.5	155.6	0	0	0	0	0	114
845	T	25.1	Very low	27.4	Very low	126 Å²	126	145.5 Å²	145.5	77%	0.773	78%	0.784	S	S	*	*			trans	34.1	126	144.4	52.9	0	0	0	0	123.9
846	L	24.7	Very low	27.3	Very low	158 Å²	158	147 Å²	147	83%	0.827	79%	0.785	S	S	*	*			trans	68.4	103.8	135	-66	169.7	0	0	0	121.7
847	R	24.4	Very low	28	Very low	236 Å²	236	143.4 Å²	143.4	89%	0.891	78%	0.779	S	S	*	*				179.2	169.5	97.5	-105.2	-176.2	170.3	-179.9	-2.8	114.6
848	E	24.1	Very low	27.9	Very low	163 Å²	163	143.3 Å²	143.3	76%	0.762	79%	0.788	S	S	*	*			trans	-65.7	152.6	179.3	-55	154.4	73.8	0	0	114.2
849	R	25.6	Very low	27.9	Very low	225 Å²	225	146 Å²	146	85%	0.849	79%	0.788	S	S	*	*				151.1	121.1	96.8	-166.2	164.7	-173.8	163.9	2.3	115
850	A	25.1	Very low	27.9	Very low	73 Å²	73	149 Å²	149	60%	0.603	79%	0.787	S	S	*	*			trans	58.6	140	146.1	0	0	0	0	0	124.5
851	E	25.5	Very low	28.1	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	78%	0.78	S	S	*	*			trans	87.4	127.7	133.1	-83.3	166.2	-141.7	0	0	124.8
852	L	24.9	Very low	27.8	Very low	158 Å²	158	146.6 Å²	146.6	83%	0.827	78%	0.782	S	S	*	*			trans	84.9	122.7	139.2	-69.2	165.5	0	0	0	123.8
853	E	24	Very low	27.4	Very low	164 Å²	164	145.1 Å²	145.1	77%	0.766	77%	0.771	S	S	*	*			trans	-58.7	177.7	150.6	-79.1	-78.6	149.2	0	0	113.4
854	P	39.9	Very low	27.2	Very low	103 Å²	103	146 Å²	146	67%	0.669	77%	0.766	S	S	*	*			cis	-134.4	-172	-2	28	-4.1	0	0	0	115.1
855	S	24.1	Very low	27.1	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	77%	0.766	S	S	*	*				135.1	151.3	123.1	71.6	0	0	0	0	118.9
856	N	25.6	Very low	27.1	Very low	154 Å²	154	147.3 Å²	147.3	82%	0.824	77%	0.769	S	S	*	*			trans	-112.7	-173.1	-178.9	-132.7	-18.5	0	0	0	107.6
857	P	42.2	Very low	27	Very low	90 Å²	90	148.6 Å²	148.6	58%	0.584	77%	0.771	S	S	*	*			cis	-133.8	-163.2	-22.4	27	-2.3	0	0	0	112.9
858	L	26.1	Very low	27	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	77%	0.768	S	S	*	*			trans	129.7	135.9	134.4	-69.7	-176.7	0	0	0	121.4
859	L	26.3	Very low	27	Very low	158 Å²	158	139.9 Å²	139.9	83%	0.827	77%	0.771	S	S	*	*			trans	76.3	125.2	142.3	-71.4	165.5	0	0	0	123.9
860	R	29.4	Very low	26.9	Very low	227 Å²	227	139 Å²	139	86%	0.857	77%	0.769	S	S	*	*			trans	-81.3	166	151.6	-60.5	173	167.8	173.6	-4.4	109.7
861	P	37	Very low	27.5	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	77%	0.772	S	S	*	*				-157.4	154.5	95.1	37.9	-18.4	0	0	0	118.7
862	L	24.3	Very low	27.7	Very low	155 Å²	155	140.3 Å²	140.3	81%	0.812	76%	0.764	S	S	*	*			trans	63.1	153.7	141.8	-66	170.8	0	0	0	120.6
863	T	23.9	Very low	27.7	Very low	102 Å²	102	137 Å²	137	63%	0.626	75%	0.751	S	S	*	*			cis	-166.6	175	-30	14.6	0	0	0	0	111.3
864	N	23.2	Very low	27.8	Very low	137 Å²	137	140.6 Å²	140.6	73%	0.733	76%	0.757	S	S	*	*			trans	78.2	106.4	157.2	-59.6	-22	0	0	0	118.9
865	S	23.4	Very low	27.1	Very low	108 Å²	108	142 Å²	142	76%	0.755	76%	0.759	S	S	*	*				106.9	165.7	92.9	71.9	0	0	0	0	112.1
866	T	24.8	Very low	27.2	Very low	137 Å²	137	147.7 Å²	147.7	84%	0.84	76%	0.762	S	S	*	*			cis	-135.4	-171.7	5.8	44.8	0	0	0	0	110.9
867	E	22.7	Very low	27.2	Very low	185 Å²	185	145.4 Å²	145.4	86%	0.864	76%	0.758	S	S	*	*			trans	-97.5	164.5	179.3	-58.4	-175	103.2	0	0	116
868	S	25.4	Very low	26.3	Very low	117 Å²	117	144.5 Å²	144.5	82%	0.818	77%	0.765	S	S	*	*			trans	64.4	118.5	140.7	-165.3	0	0	0	0	122.4
869	A	23.5	Very low	26.8	Very low	100 Å²	100	144 Å²	144	83%	0.826	77%	0.771	S	S	*	*			trans	-164.4	122.9	135.7	0	0	0	0	0	114.1
870	Y	22.9	Very low	26.8	Very low	205 Å²	205	145.5 Å²	145.5	80%	0.804	77%	0.774	S	S	*	*			trans	-92.2	167.7	154	-90.2	-63.9	0	0	0	108.4
871	P	38.4	Very low	26.7	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	77%	0.773	S	S	*	*			cis	-159.2	177.6	40.6	45.1	-23.1	0	0	0	120.5
872	R	28.8	Very low	26.2	Very low	169 Å²	169	142.6 Å²	142.6	64%	0.638	78%	0.783	S	S	*	*			trans	58	159.9	138.8	-83.5	-175.8	160.5	137.8	-10.6	122.7	R543	R543-R872 VanDerWaalsContact CZ-NH2 3.3Å; R543-R872 VanDerWaalsContact NH2-NH2 3.14Å
873	T	26.3	Very low	26.3	Very low	90 Å²	90	139.1 Å²	139.1	55%	0.552	78%	0.784	S	S	*	*			cis	179.5	142.5	-37.8	30.8	0	0	0	0	109.6
874	R	25.4	Very low	26.4	Very low	238 Å²	238	144.3 Å²	144.3	90%	0.898	79%	0.794	S	S	*	*			trans	166.4	137.3	143.2	-94.6	164.2	-170.5	-169.4	6.8	109.4
875	L	25.5	Very low	26.5	Very low	134 Å²	134	143.2 Å²	143.2	70%	0.702	80%	0.797	S	S	*	*			cis	98.3	100.1	13.5	-70.1	174.6	0	0	0	119
876	R	25.3	Very low	26.6	Very low	237 Å²	237	142.7 Å²	142.7	89%	0.894	79%	0.793	S	S	*	*			trans	-171.5	148.7	150.9	-102.2	-159.8	158	177.8	-6.5	107
877	S	25.6	Very low	26.6	Very low	106 Å²	106	143.1 Å²	143.1	74%	0.741	79%	0.79	S	S	*	*			cis	70.6	123	0.6	-40.4	0	0	0	0	116.5
878	G	24.3	Very low	26.8	Very low	72 Å²	72	138.3 Å²	138.3	74%	0.742	78%	0.777	S	S	*	*			cis	-162.6	-152	-5.4	0	0	0	0	0	107.4
879	P	36.1	Very low	26.8	Very low	134 Å²	134	142.7 Å²	142.7	87%	0.87	78%	0.782	S	S	*	*			cis	-127.4	-147.1	-1.2	43.3	-25.3	0	0	0	112.3
880	E	26.7	Very low	27	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	78%	0.782	S	S	*	*			trans	-112.9	169.7	-166.8	-61.9	158.7	144.8	0	0	113.6
881	A	26.6	Very low	27.1	Very low	101 Å²	101	137.2 Å²	137.2	84%	0.835	78%	0.779	S	S	*	*			trans	-158.8	115.7	160	0	0	0	0	0	110.4
882	D	27.2	Very low	26.5	Very low	175 Å²	175	140.5 Å²	140.5	94%	0.936	79%	0.791	S	S	*	*			trans	-94.1	157.1	172.3	-85.9	-44.9	0	0	0	112.1
883	G	26	Very low	26.5	Very low	81 Å²	81	135.7 Å²	135.7	84%	0.835	79%	0.794	S	S	*	*			trans	-149.5	135.6	175.5	0	0	0	0	0	111.3
884	Y	25.9	Very low	26.4	Very low	212 Å²	212	141.1 Å²	141.1	83%	0.831	81%	0.813	S	S	*	*			trans	-126.5	138	-158.2	-177.3	-81.5	0	0	0	112
885	S	25.3	Very low	26.6	Very low	114 Å²	114	137.7 Å²	137.7	80%	0.797	81%	0.812	S	S	*	*			trans	179.3	160	147.2	-83	0	0	0	0	114
886	S	26.9	Very low	26.6	Very low	97 Å²	97	139.9 Å²	139.9	68%	0.678	82%	0.818	S	S	*	*			trans	-78.4	-171.7	-178.7	-37.9	0	0	0	0	112.6
887	D	24.8	Very low	26.9	Very low	145 Å²	145	133 Å²	133	78%	0.775	80%	0.804	S	S	*	*			cis	-164.3	156.4	32	-152.7	3.1	0	0	0	117.9
888	S	26.5	Very low	26.9	Very low	85 Å²	85	133.6 Å²	133.6	59%	0.594	81%	0.807	S	S	*	*			trans	60.1	127.8	148.6	74.5	0	0	0	0	124.4
889	K	25.8	Very low	27.1	Very low	208 Å²	208	138 Å²	138	90%	0.904	81%	0.813	S	S	*	*			trans	67.3	150.3	153.5	-63.5	174.8	-178.8	177.8	0	118
890	A	26.7	Very low	26.8	Very low	102 Å²	102	140.9 Å²	140.9	84%	0.843	81%	0.812	S	S	*	*			cis	-127.6	178.4	1.7	0	0	0	0	0	111.7
891	A	25.5	Very low	26.8	Very low	88 Å²	88	141.6 Å²	141.6	73%	0.727	81%	0.806	S	S	*	*			trans	-98.9	145.9	-177.1	0	0	0	0	0	112.8
892	D	26.5	Very low	26.8	Very low	173 Å²	173	143.1 Å²	143.1	93%	0.925	81%	0.809	S	S	*	*				-161.3	153.7	107.9	-105.1	-25.5	0	0	0	110.2
893	G	27.3	Very low	26.7	Very low	69 Å²	69	141.5 Å²	141.5	71%	0.711	80%	0.796	S	S	*	*			trans	179.1	103.3	-177.8	0	0	0	0	0	113.5
894	E	25.4	Very low	26.8	Very low	204 Å²	204	143.1 Å²	143.1	95%	0.953	79%	0.794	S	S	*	*			trans	-71	135.8	171.3	-63.4	-173.6	125.5	0	0	110.5
895	L	28.3	Very low	26.9	Very low	165 Å²	165	140.8 Å²	140.8	86%	0.864	79%	0.79	S	S	*	*			trans	-125	105.8	-174.5	-160.4	84.6	0	0	0	110.2	P897	L895-P897 WeakPolarHBondContact O-CD 3.18Å
896	E	27.2	Very low	26.9	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	79%	0.786	S	S	*	*			trans	-60.2	122.4	177.6	-110	-72.5	114.2	0	0	111.5	C898	E896-C898 PolarHBondContact O-N 2.82Å
897	P	29.7	Very low	27	Very low	93 Å²	93	146 Å²	146	60%	0.604	80%	0.796	S	S	*	*			trans	-75.5	120	-173.5	-19	33.3	0	0	0	114.2	L895 L899	L895-P897 WeakPolarHBondContact O-CD 3.18Å; P897-L899 PolarHBondContact O-N 3.2Å
898	C	27.2	Very low	27.3	Very low	118 Å²	118	149.1 Å²	149.1	80%	0.797	80%	0.797	S	S	*	*			trans	-70.1	96.5	173.1	-171.6	0	0	0	0	111.6	E896 K900	E896-C898 PolarHBondContact O-N 2.82Å; C898-K900 PolarHBondContact O-N 3.01Å; C898-K900 VanDerWaalsContact O-N 3.16Å
899	L	27.7	Very low	27.5	Very low	165 Å²	165	148.8 Å²	148.8	86%	0.864	81%	0.807	S	S	*	*			trans	-70.5	106.3	178.8	-71	175.5	0	0	0	112.1	P897	P897-L899 PolarHBondContact O-N 3.2Å
900	K	30.8	Very low	27.5	Very low	194 Å²	194	147 Å²	147	84%	0.843	81%	0.807	S	S	*	*			trans	-120.6	103.8	159.5	-75	-173.4	176.8	-178.4	0	109.7	C898	C898-K900 PolarHBondContact O-N 3.01Å; C898-K900 VanDerWaalsContact O-N 3.16Å
901	R	26.4	Very low	28.1	Very low	205 Å²	205	147.6 Å²	147.6	77%	0.774	81%	0.806	S	S	*	*			trans	-138	102.6	171.6	-164	169.2	-169.3	154.9	4.7	109.3	H903	R901-H903 WeakPolarHBondContact CD-NE2 3.49Å; R901-H903 PolarHBondContact O-CD2 3.47Å; R901-H903 PolarHBondContact O-N 2.83Å
902	C	25.7	Very low	28.7	Very low	133 Å²	133	149 Å²	149	90%	0.899	81%	0.81	S	S	*	*			trans	-70.5	112.8	171.4	-61	0	0	0	0	108.2	S904	C902-S904 PolarHBondContact O-N 3.17Å
903	H	26.3	Very low	29.1	Very low	141 Å²	141	148.9 Å²	148.9	65%	0.653	81%	0.808	S	S	*	*			trans	-88.7	98.4	174.4	-83.2	-98.3	0	0	0	109.9	R901 H905	R901-H903 WeakPolarHBondContact CD-NE2 3.49Å; R901-H903 PolarHBondContact O-CD2 3.47Å; R901-H903 PolarHBondContact O-N 2.83Å; H903-H905 PolarHBondContact O-N 2.94Å
904	S	26.5	Very low	29.4	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	80%	0.803	S	S	*	*			trans	-70.5	107.8	163.9	51.7	0	0	0	0	109.1	C902 E906	C902-S904 PolarHBondContact O-N 3.17Å; S904-E906 PolarHBondContact O-N 2.96Å
905	H	27.6	Very low	29.9	Very low	163 Å²	163	150.6 Å²	150.6	76%	0.755	80%	0.803	S	S	*	*			trans	-76.9	111.5	172.8	-96.3	-111.1	0	0	0	110.3	H903 L907	H903-H905 PolarHBondContact O-N 2.94Å; H905-L907 PolarHBondContact O-N 3.44Å
906	E	27.4	Very low	30.4	Very low	151 Å²	151	153.4 Å²	153.4	71%	0.706	80%	0.802	S	S	*	*			trans	-67.8	115.7	160.5	-70.4	-168.5	131.3	0	0	108.7	S904 R908	S904-E906 PolarHBondContact O-N 2.96Å; E906-R908 PolarHBondContact O-N 3.13Å; E906-R908 IonicContact OE2-NH2 2.68Å
907	L	28.4	Very low	30.8	Very low	170 Å²	170	150.7 Å²	150.7	89%	0.89	79%	0.785	S	S	*	*			trans	-75	92.6	167.8	-70.1	175.7	0	0	0	109.7	H905 G909	H905-L907 PolarHBondContact O-N 3.44Å; L907-G909 PolarHBondContact O-N 3.22Å
908	R	29.9	Very low	31	Very low	211 Å²	211	148.3 Å²	148.3	80%	0.796	78%	0.777	S	S	*	*			trans	-75	114.3	161	-71.9	-176.1	-179.8	-95.4	-11.5	108.3	E906	E906-R908 PolarHBondContact O-N 3.13Å; E906-R908 IonicContact OE2-NH2 2.68Å
909	G	30.6	Very low	31.5	Very low	78 Å²	78	145.8 Å²	145.8	80%	0.804	76%	0.761	S	S	*	*			trans	-80.3	121.1	176.3	0	0	0	0	0	111.8	L907	L907-G909 PolarHBondContact O-N 3.22Å
910	D	27.3	Very low	31.9	Very low	169 Å²	169	141.6 Å²	141.6	90%	0.904	74%	0.739	S	S	*	*			trans	-105.9	145.7	149	-103.3	-50.2	0	0	0	108.4
911	S	37.8	Very low	32.4	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	72%	0.724	S	S	*	*			trans	-117	101.1	-153.8	61.3	0	0	0	0	115.2
912	S	39.4	Very low	33	Very low	116 Å²	116	133 Å²	133	81%	0.811	72%	0.716	S	S	*	*			trans	-157.7	14.7	166.6	62.4	0	0	0	0	118
913	L	34.2	Very low	33.5	Very low	172 Å²	172	134.9 Å²	134.9	90%	0.901	70%	0.704	S	S	*	*	S	Bend	trans	-122.6	159.6	174.4	-71	177.1	0	0	0	114.1
914	G	33.1	Very low	34.2	Very low	58 Å²	58	132.1 Å²	132.1	60%	0.598	69%	0.688	S	S	*	*			trans	-76.4	136.6	-154.4	0	0	0	0	0	116.8	R916 Y917	G914-R916 PolarHBondContact O-N 3.19Å; G914-Y917 PolarHBondContact O-N 3.09Å
915	R	36	Very low	34.6	Very low	251 Å²	251	128.6 Å²	128.6	95%	0.947	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.7	4.6	-179	-69.8	-171.2	-179.5	-136	0.8	117.1
916	R	39.4	Very low	35.1	Very low	224 Å²	224	125.7 Å²	125.7	85%	0.845	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-32.3	174.5	-59.4	-172.2	-157	-111.4	5.3	112.6	G914 S919	G914-R916 PolarHBondContact O-N 3.19Å; R916-S919 PolarHBondContact O-OG 3.45Å
917	Y	36	Very low	35.5	Very low	122 Å²	122	123.1 Å²	123.1	48%	0.478	65%	0.653	S	S	.	*	H	α-helix	trans	-74.3	-32.2	-170.7	-133.9	-96.3	0	0	0	113.4	G914 S919 I921	G914-Y917 PolarHBondContact O-N 3.09Å; Y917-S919 PolarHBondContact O-N 3.48Å; Y917-I921 HydrophobicContact CD1-CD1 4.04Å; Y917-I921 HydrophobicContact CE1-CD1 4.49Å
918	G	33.3	Very low	35.7	Very low	43 Å²	43	119.2 Å²	119.2	44%	0.443	65%	0.646	S	S	.	*	H	α-helix	trans	-72	-22.1	-176.2	0	0	0	0	0	115.4	I922	G918-I922 WeakPolarHBondContact O-CD1 3.4Å; G918-I922 WeakPolarHBondContact O-CG1 3.33Å
919	S	37.1	Very low	35.7	Very low	66 Å²	66	116.9 Å²	116.9	46%	0.462	66%	0.662	S	S	.	*	H	α-helix	trans	-71.7	-40.9	-179.9	36	0	0	0	0	112.6	R916 Y917 R923	R916-S919 PolarHBondContact O-OG 3.45Å; Y917-S919 PolarHBondContact O-N 3.48Å; S919-R923 PolarHBondContact O-N 3.16Å; S919-R923 VanDerWaalsContact O-N 3.13Å
920	D	36.6	Very low	36	Very low	76 Å²	76	118.8 Å²	118.8	41%	0.406	66%	0.655	S	S	.	*	H	α-helix	trans	-83.4	-26.3	-171.5	-63.1	-66.8	0	0	0	112.5	R923 R924	D920-R923 CarbonylContact O-C 3.42Å; D920-R923 WeakPolarHBondContact O-CB 3.3Å; D920-R923 PolarHBondContact O-N 2.61Å; D920-R924 WeakPolarHBondContact O-CG 3.29Å; D920-R924 PolarHBondContact O-N 2.68Å
921	I	41.2	Very low	36.4	Very low	101 Å²	101	116.2 Å²	116.2	52%	0.518	64%	0.641	S	S	.	*	H	α-helix	trans	-62.2	-45.1	168.1	-65.2	171.5	0	0	0	111	Y917 R923 R924 G925	Y917-I921 HydrophobicContact CD1-CD1 4.04Å; Y917-I921 HydrophobicContact CE1-CD1 4.49Å; I921-R923 PolarHBondContact O-N 3.21Å; I921-R924 PolarHBondContact O-N 3.15Å; I921-G925 PolarHBondContact O-N 3.11Å
922	I	39.5	Very low	36.3	Very low	119 Å²	119	116.2 Å²	116.2	61%	0.61	63%	0.632	S	S	*	*	H	α-helix	trans	-63.3	-36.1	175.5	-65.3	171	0	0	0	110.1	G918 V926	G918-I922 WeakPolarHBondContact O-CD1 3.4Å; G918-I922 WeakPolarHBondContact O-CG1 3.33Å; I922-V926 HydrophobicContact CG2-CG2 4.39Å; I922-V926 WeakPolarHBondContact O-CB 3.34Å; I922-V926 VanDerWaalsContact O-CG2 3.25Å; I922-V926 WeakPolarHBondContact O-CG2 3.23Å; I922-V926 PolarHBondContact O-N 3.06Å
923	R	35.7	Very low	36.2	Very low	172 Å²	172	116.2 Å²	116.2	65%	0.649	62%	0.621	S	S	*	*	H	α-helix	trans	-68.3	-42.6	176.7	-142.5	175.3	-167.2	175	1	112.8	S919 D920 I921 L927	S919-R923 PolarHBondContact O-N 3.16Å; S919-R923 VanDerWaalsContact O-N 3.13Å; D920-R923 CarbonylContact O-C 3.42Å; D920-R923 WeakPolarHBondContact O-CB 3.3Å; D920-R923 PolarHBondContact O-N 2.61Å; I921-R923 PolarHBondContact O-N 3.21Å; R923-L927 WeakPolarHBondContact O-CG 3.26Å; R923-L927 PolarHBondContact O-N 3.25Å
924	R	42.2	Very low	36.3	Very low	83 Å²	83	112.7 Å²	112.7	31%	0.313	60%	0.604	S	S	.	*	H	α-helix	trans	-58.1	-51.3	172.3	-72.9	179	-170.9	-168.4	2.9	109.9	M192 D196 E226 D920 I921 V926 L927 A928	M192-R924 HydrophobicContact CE-CG 3.88Å; D196-R924 IonicContact OD1-CZ 2.64Å; D196-R924 IonicContact OD1-NH1 3.76Å; D196-R924 PolarHBondContact OD1-NH1 3.24Å; E226-R924 IonicContact OE1-NH1 2.9Å; E226-R924 PolarHBondContact OE1-NH1 3.5Å; E226-R924 IonicContact OE1-NH2 2.67Å; D920-R924 WeakPolarHBondContact O-CG 3.29Å; D920-R924 PolarHBondContact O-N 2.68Å; I921-R924 PolarHBondContact O-N 3.15Å; R924-V926 PolarHBondContact O-N 3.42Å; R924-L927 PolarHBondContact O-N 3.48Å; R924-A928 PolarHBondContact O-N 3.5Å
925	G	34.6	Very low	36.5	Very low	40 Å²	40	116.3 Å²	116.3	41%	0.412	60%	0.604	S	S	.	*	H	α-helix	trans	-63.7	-35.9	-178.5	0	0	0	0	0	115.2	I921 A928 S929	I921-G925 PolarHBondContact O-N 3.11Å; G925-A928 PolarHBondContact O-N 3.4Å; G925-S929 PolarHBondContact O-OG 3.02Å
926	V	37.5	Very low	36.5	Very low	101 Å²	101	106.7 Å²	106.7	61%	0.612	58%	0.58	S	S	*	*	H	α-helix	trans	-76.6	-20.7	178.9	170.5	0	0	0	0	113	I922 R924	I922-V926 HydrophobicContact CG2-CG2 4.39Å; I922-V926 WeakPolarHBondContact O-CB 3.34Å; I922-V926 VanDerWaalsContact O-CG2 3.25Å; I922-V926 WeakPolarHBondContact O-CG2 3.23Å; I922-V926 PolarHBondContact O-N 3.06Å; R924-V926 PolarHBondContact O-N 3.42Å
927	L	34.7	Very low	36.3	Very low	97 Å²	97	97.7 Å²	97.7	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-88.2	-13.2	174.1	-68.3	172.8	0	0	0	113.5	I185 R923 R924	I185-L927 HydrophobicContact CG2-CD2 4.13Å; R923-L927 WeakPolarHBondContact O-CG 3.26Å; R923-L927 PolarHBondContact O-N 3.25Å; R924-L927 PolarHBondContact O-N 3.48Å
928	A	33.1	Very low	36.3	Very low	89 Å²	89	95.7 Å²	95.7	74%	0.736	57%	0.566	S	S	*	*			trans	-96.5	10.1	176.4	0	0	0	0	0	113.9	R924 G925	R924-A928 PolarHBondContact O-N 3.5Å; G925-A928 PolarHBondContact O-N 3.4Å
929	S	30.7	Very low	36.6	Very low	161 Å²	161	100.5 Å²	100.5	100%	1.126	58%	0.577	S	S	*	*			trans	-120.1	0	-176.2	-60.3	0	0	0	0	112.5	G925	G925-S929 PolarHBondContact O-OG 3.02Å

Retrieved 929 of 929 residues in 798.4 ms (Link to these results)

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